#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smy s LYS 3 N 0.00 3.58 0.17 1.64 0.00 -1.26 -5.06 119.74 118.82 1smy s LYS 3 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 55.97 55.64 1smy s LYS 3 Cb 0.00 -3.15 -0.11 0.00 0.00 0.00 0.00 37.83 34.58 1smy s LYS 3 CO 0.00 0.71 1.64 -1.21 0.00 0.00 0.00 175.35 176.49 1smy s GLU 4 N -1.36 4.18 -0.27 1.78 2.02 -1.26 -4.93 118.70 118.86 1smy s GLU 4 Ca 0.22 2.45 -0.29 0.00 0.02 0.00 0.00 54.97 57.38 1smy s GLU 4 Cb -0.13 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 1smy s GLU 4 CO 0.11 -0.68 1.55 0.08 0.02 0.00 0.00 175.26 176.34 1smy s VAL 5 N 1.36 3.79 -0.09 2.63 1.01 -1.26 -4.83 120.40 123.00 1smy s VAL 5 Ca 0.73 0.87 0.03 0.00 0.00 0.00 0.00 61.98 63.61 1smy s VAL 5 Cb -0.46 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1smy s VAL 5 CO 0.32 -0.39 0.11 0.54 0.00 0.00 0.00 175.10 175.68 1smy n ARG 6 N 7.71 3.41 -3.76 2.72 1.74 -1.26 -5.03 116.66 122.19 1smy n ARG 6 Ca 0.18 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 57.12 1smy n ARG 6 Cb 0.46 -0.84 -0.13 0.00 -1.02 0.00 0.00 32.46 30.94 1smy n ARG 6 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1smy s LYS 7 N -1.70 0.22 0.02 5.56 1.02 -1.26 -4.00 119.74 119.59 1smy s LYS 7 Ca 0.00 0.43 0.08 0.00 0.02 0.00 0.00 55.97 56.50 1smy s LYS 7 Cb 0.02 -0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 1smy s LYS 7 CO 0.13 -0.11 -0.25 0.08 -0.92 0.00 0.00 175.35 174.29 1smy s VAL 8 N 0.79 1.98 -0.06 3.17 1.01 -1.25 -4.97 120.40 121.06 1smy s VAL 8 Ca -0.06 -1.22 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 1smy s VAL 8 Cb -0.07 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.66 1smy s VAL 8 CO -0.05 0.41 0.15 0.00 0.00 0.00 0.00 175.10 175.62 1smy s ARG 9 N -0.96 0.16 -0.02 2.72 1.70 -1.26 0.61 118.95 121.90 1smy s ARG 9 Ca 0.10 0.26 -0.16 0.00 -0.47 0.00 0.00 55.73 55.46 1smy s ARG 9 Cb -0.10 0.01 -0.06 0.00 -0.57 0.00 0.00 34.95 34.24 1smy s ARG 9 CO 0.01 -0.06 0.44 0.42 -1.08 0.00 0.00 175.30 175.02 1smy s ILE 10 N 0.40 5.03 0.12 4.99 1.01 -0.93 -4.97 121.20 126.85 1smy s ILE 10 Ca -0.03 0.90 -0.07 0.00 0.00 0.00 0.00 60.65 61.45 1smy s ILE 10 Cb -0.04 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1smy s ILE 10 CO -0.02 0.52 0.19 0.00 0.00 0.00 0.00 174.94 175.64 1smy s ALA 11 N -0.72 0.04 0.81 9.38 0.00 -1.26 -2.93 121.76 127.08 1smy s ALA 11 Ca 0.25 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1smy s ALA 11 Cb -0.17 0.65 0.08 0.00 0.00 0.00 0.00 23.12 23.68 1smy s ALA 11 CO 0.13 -0.55 1.10 -0.51 0.00 0.00 0.00 175.76 175.94 1smy s LEU 12 N -2.93 2.56 -0.32 0.00 1.43 -1.26 -4.92 118.68 113.24 1smy s LEU 12 Ca 0.12 1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 1smy s LEU 12 Cb 0.05 -3.90 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1smy s LEU 12 CO -0.06 -2.04 0.21 0.00 0.23 0.00 0.00 176.35 174.69 1smy s ALA 13 N -3.14 3.44 0.17 4.21 0.00 -1.26 -5.04 121.76 120.12 1smy s ALA 13 Ca 0.61 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 1smy s ALA 13 Cb -0.15 -2.55 -0.08 0.00 0.00 0.00 0.00 23.12 20.35 1smy s ALA 13 CO 0.54 -0.89 1.15 -1.12 0.00 0.00 0.00 175.76 175.45 1smy s SER 14 N 1.69 7.17 0.41 0.00 0.01 -1.26 -4.73 113.70 117.00 1smy s SER 14 Ca 0.06 2.14 0.19 0.00 1.31 0.00 0.00 55.95 59.64 1smy s SER 14 Cb -0.17 -2.60 1.11 0.00 0.21 0.00 0.00 66.02 64.56 1smy s SER 14 CO 0.09 -0.31 1.81 -0.65 0.41 0.00 0.00 173.24 174.59 1smy h PRO 15 N 5.35 0.38 -0.71 12.44 0.11 -1.89 0.74 132.00 148.42 1smy h PRO 15 Ca -0.44 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1smy h PRO 15 Cb 1.21 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1smy h PRO 15 CO 0.74 0.25 0.21 1.05 -0.21 0.00 0.00 178.00 180.05 1smy h GLU 16 N 0.39 1.11 -0.75 1.05 4.11 -1.98 -2.31 114.58 116.20 1smy h GLU 16 Ca 0.54 -0.24 0.04 0.00 0.07 0.00 0.00 59.36 59.77 1smy h GLU 16 Cb 1.39 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1smy h GLU 16 CO -0.23 0.96 0.46 0.87 0.07 0.00 0.00 179.01 181.13 1smy h LYS 17 N 1.05 0.84 -0.87 1.06 1.57 0.06 0.24 116.57 120.53 1smy h LYS 17 Ca 0.23 -0.05 0.16 0.00 -1.87 0.00 0.00 60.65 59.12 1smy h LYS 17 Cb 0.32 -0.19 -0.10 0.00 0.08 0.00 0.00 32.23 32.34 1smy h LYS 17 CO -0.01 0.56 0.45 0.82 -0.57 0.00 0.00 179.45 180.70 1smy h ILE 18 N 0.87 0.70 0.06 1.86 1.08 -0.58 -0.91 117.51 120.58 1smy h ILE 18 Ca 0.31 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1smy h ILE 18 Cb 0.09 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.87 1smy h ILE 18 CO -0.14 0.11 -0.03 0.03 -0.69 0.00 0.00 178.15 177.43 1smy h ARG 19 N 0.61 -0.07 -0.34 2.37 2.47 -0.49 -2.42 114.38 116.51 1smy h ARG 19 Ca 0.49 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 59.31 1smy h ARG 19 Cb 0.72 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.05 1smy h ARG 19 CO -0.38 0.20 0.25 0.66 0.56 0.00 0.00 179.97 181.26 1smy h SER 20 N -0.35 0.00 0.06 7.04 4.64 0.62 -1.91 113.55 123.65 1smy h SER 20 Ca -0.01 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 1smy h SER 20 Cb 0.31 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1smy h SER 20 CO 0.01 0.00 -0.75 -0.50 -0.87 0.00 0.00 176.83 174.72 1smy h TRP 21 N 0.00 0.65 -3.77 4.77 6.55 -1.08 -3.47 115.95 119.60 1smy h TRP 21 Ca 0.16 -0.39 -0.44 0.00 0.95 0.00 0.00 58.89 59.17 1smy h TRP 21 Cb 0.66 -0.06 0.17 0.00 -0.86 0.00 0.00 29.16 29.07 1smy h TRP 21 CO 0.00 1.24 0.17 0.45 -1.05 0.00 0.00 178.44 179.25 1smy s SER 22 N -6.91 2.14 -0.06 -3.49 0.15 -0.72 -4.52 113.70 100.30 1smy s SER 22 Ca -0.13 1.05 -0.02 0.00 0.70 0.00 0.00 55.95 57.55 1smy s SER 22 Cb 0.03 -1.63 0.04 0.00 -1.71 0.00 0.00 66.02 62.74 1smy s SER 22 CO 0.84 -3.42 0.12 -0.31 1.20 0.00 0.00 173.24 171.67 1smy s TYR 23 N -2.97 -0.10 0.56 3.44 1.51 -0.81 -4.96 117.35 114.01 1smy s TYR 23 Ca 0.67 0.43 0.00 0.00 -1.01 0.00 0.00 57.07 57.15 1smy s TYR 23 Cb -0.17 -0.22 0.00 0.00 -0.11 0.00 0.00 41.96 41.47 1smy s TYR 23 CO 0.57 -0.19 0.00 0.41 -1.11 0.00 0.00 175.55 175.24 1smy n GLY 24 N 4.67 -2.98 2.92 0.71 0.00 -1.26 -4.52 105.19 104.73 1smy n GLY 24 Ca -0.17 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 1smy n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1smy s GLU 25 N -3.73 1.46 -0.53 1.61 -6.30 -1.26 -3.54 118.70 106.41 1smy s GLU 25 Ca 0.00 -1.14 -0.26 0.00 -2.50 0.00 0.00 54.97 51.07 1smy s GLU 25 Cb 0.00 -2.60 -0.07 0.00 0.00 0.00 0.00 34.13 31.46 1smy s GLU 25 CO 0.00 -0.71 2.35 0.08 0.02 0.00 0.00 175.26 177.00 1smy s VAL 26 N 1.35 3.05 -2.58 3.70 1.01 -1.18 -4.75 120.40 120.99 1smy s VAL 26 Ca -0.01 0.02 0.22 0.00 0.00 0.00 0.00 61.98 62.21 1smy s VAL 26 Cb -0.19 -3.13 0.24 0.00 0.00 0.00 0.00 36.38 33.31 1smy s VAL 26 CO -0.09 -0.12 1.24 -1.84 0.00 0.00 0.00 175.10 174.28 1smy n GLU 27 N 9.02 2.13 -3.88 2.72 0.28 -1.26 -4.72 120.64 124.93 1smy n GLU 27 Ca 0.36 -1.92 -0.11 0.00 -0.16 0.00 0.00 57.16 55.33 1smy n GLU 27 Cb 0.54 -1.43 -0.11 0.00 1.43 0.00 0.00 31.44 31.86 1smy n GLU 27 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1smy s LYS 28 N -1.69 0.29 0.00 3.44 1.02 -1.26 -4.99 119.74 116.55 1smy s LYS 28 Ca 0.28 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1smy s LYS 28 Cb 0.19 0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1smy s LYS 28 CO 0.28 -0.06 1.22 -0.35 -0.92 0.00 0.00 175.35 175.52 1smy n PRO 29 N 2.18 0.66 -3.41 -1.68 -0.05 -1.26 -3.58 135.00 127.85 1smy n PRO 29 Ca -0.18 0.00 -0.44 0.00 -0.05 0.00 0.00 63.50 62.83 1smy n PRO 29 Cb 0.57 -1.17 -0.08 0.00 -0.05 0.00 0.00 33.50 32.77 1smy n PRO 29 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 1smy s GLU 30 N 0.64 2.91 0.00 0.54 0.41 -1.26 -4.95 118.70 116.99 1smy s GLU 30 Ca 0.00 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.13 1smy s GLU 30 Cb 0.00 -4.10 0.00 0.00 -1.78 0.00 0.00 34.13 28.25 1smy s GLU 30 CO 0.00 -1.06 0.00 0.25 -0.49 0.00 0.00 175.26 173.96 1smy n THR 31 N 5.16 0.00 -3.74 3.63 -2.24 -1.26 -3.08 114.28 112.75 1smy n THR 31 Ca -0.12 0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 1smy n THR 31 Cb 0.43 -0.21 -0.16 0.00 -2.10 0.00 0.00 70.33 68.30 1smy n THR 31 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1smy s ILE 32 N 0.00 -0.09 -0.30 2.28 1.01 -1.26 -1.35 121.20 121.50 1smy s ILE 32 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.69 1smy s ILE 32 Cb 0.00 -0.18 -0.01 0.00 0.01 0.00 0.00 42.46 42.28 1smy s ILE 32 CO 0.00 0.10 0.67 0.20 0.00 0.00 0.00 174.94 175.91 1smy s ASN 33 N 1.40 6.55 0.18 3.58 -0.87 -1.25 -4.94 114.94 119.59 1smy s ASN 33 Ca -0.06 0.53 -0.11 0.00 -1.57 0.00 0.00 52.86 51.64 1smy s ASN 33 Cb -0.12 -2.35 0.22 0.00 -0.02 0.00 0.00 41.25 38.98 1smy s ASN 33 CO -0.05 -0.50 1.16 0.00 -2.57 0.00 0.00 177.10 175.15 1smy n TYR 34 N 5.93 0.08 -0.30 2.20 0.18 -1.26 -1.88 117.16 122.11 1smy n TYR 34 Ca 0.00 0.92 -0.06 0.00 1.88 0.00 0.00 57.90 60.64 1smy n TYR 34 Cb 0.49 -0.82 -0.04 0.00 -0.38 0.00 0.00 39.34 38.59 1smy n TYR 34 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 1smy n ARG 35 N -5.13 -0.28 -4.48 -3.48 3.00 -1.26 -3.61 116.66 101.43 1smy n ARG 35 Ca 0.09 1.10 -0.32 0.00 -0.00 0.00 0.00 57.85 58.72 1smy n ARG 35 Cb 0.32 -1.62 -0.16 0.00 0.00 0.00 0.00 32.46 30.99 1smy n ARG 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1smy s THR 36 N -5.46 2.01 -1.01 5.15 2.01 -0.79 -4.97 115.64 112.59 1smy s THR 36 Ca -0.09 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1smy s THR 36 Cb 0.10 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.81 1smy s THR 36 CO 0.47 0.54 0.11 0.18 -0.69 0.00 0.00 174.62 175.23 1smy n LEU 37 N 4.26 0.21 -4.88 4.42 4.77 -1.24 -4.16 117.00 120.39 1smy n LEU 37 Ca -0.20 -0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.38 1smy n LEU 37 Cb 0.51 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1smy n LEU 37 CO 0.26 0.05 0.41 -0.54 -1.33 0.00 0.00 177.39 176.24 1smy s LYS 38 N -1.01 3.73 0.58 3.23 1.02 -1.26 -4.93 119.74 121.11 1smy s LYS 38 Ca 0.00 0.37 -0.19 0.00 0.02 0.00 0.00 55.97 56.18 1smy s LYS 38 Cb 0.00 -2.43 -0.06 0.00 -0.52 0.00 0.00 37.83 34.82 1smy s LYS 38 CO 0.00 -0.02 0.85 -2.30 -0.92 0.00 0.00 175.35 172.96 1smy n PRO 39 N -1.34 0.81 0.00 -1.68 -0.02 -1.26 -3.77 135.00 127.74 1smy n PRO 39 Ca 0.02 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1smy n PRO 39 Cb 0.54 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1smy n PRO 39 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1smy n GLU 40 N -0.71 0.00 0.00 -0.52 4.07 -0.45 -4.83 120.64 118.20 1smy n GLU 40 Ca 0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1smy n GLU 40 Cb 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 1smy n GLU 40 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1smy n ARG 41 N 0.00 0.64 0.00 5.31 1.85 -1.26 -4.77 116.66 118.43 1smy n ARG 41 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.90 1smy n ARG 41 Cb 0.00 0.00 0.28 0.00 -1.05 0.00 0.00 32.46 31.69 1smy n ARG 41 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1smy n ASP 42 N 0.00 0.00 -4.03 2.89 8.00 -1.26 -4.68 116.55 117.46 1smy n ASP 42 Ca 0.00 0.04 -0.37 0.00 0.71 0.00 0.00 54.79 55.16 1smy n ASP 42 Cb 0.00 -0.23 0.05 0.00 -0.02 0.00 0.00 41.12 40.92 1smy n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1smy n GLY 43 N -0.37 -3.41 0.27 0.44 0.00 -1.26 -4.34 105.19 96.52 1smy n GLY 43 Ca 0.06 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1smy n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1smy n LEU 44 N 2.97 -0.18 -4.65 0.99 4.77 -1.18 -3.31 117.00 116.41 1smy n LEU 44 Ca -0.02 1.30 -0.38 0.00 -0.03 0.00 0.00 56.01 56.88 1smy n LEU 44 Cb 0.69 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1smy n LEU 44 CO 0.47 -1.29 0.10 -0.36 -1.33 0.00 0.00 177.39 174.98 1smy s PHE 45 N -5.83 3.33 -0.30 -1.77 0.08 -1.26 -4.91 117.98 107.33 1smy s PHE 45 Ca -0.11 0.56 -0.15 0.00 0.12 0.00 0.00 56.93 57.36 1smy s PHE 45 Cb 0.22 -2.55 0.16 0.00 -0.57 0.00 0.00 43.02 40.28 1smy s PHE 45 CO 0.60 -0.09 0.98 0.34 -0.10 0.00 0.00 175.22 176.95 1smy s ASP 46 N 1.23 -0.58 0.21 1.36 2.15 -1.21 -3.65 116.67 116.18 1smy s ASP 46 Ca 0.18 0.81 -0.18 0.00 0.43 0.00 0.00 52.55 53.80 1smy s ASP 46 Cb -0.15 1.61 0.19 0.00 -0.30 0.00 0.00 42.92 44.27 1smy s ASP 46 CO 0.08 -0.12 1.59 -0.33 -0.17 0.00 0.00 175.17 176.23 1smy h GLU 47 N 7.29 -0.09 0.33 4.34 4.39 -1.91 0.56 114.58 129.49 1smy h GLU 47 Ca -0.17 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1smy h GLU 47 Cb 1.13 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1smy h GLU 47 CO 0.10 -0.06 -0.24 -0.09 -1.16 0.00 0.00 179.01 177.56 1smy h ARG 48 N -0.10 -0.52 -0.88 2.33 2.43 -1.81 0.63 114.38 116.47 1smy h ARG 48 Ca 0.28 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 59.68 1smy h ARG 48 Cb 0.56 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.16 1smy h ARG 48 CO -0.74 -0.35 0.58 0.82 -1.51 0.00 0.00 179.97 178.77 1smy h ILE 49 N -0.54 0.71 0.00 1.20 2.04 -1.77 -3.31 117.51 115.84 1smy h ILE 49 Ca -0.04 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1smy h ILE 49 Cb 0.45 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1smy h ILE 49 CO 0.02 0.08 -0.50 0.49 0.00 0.00 0.00 178.15 178.24 1smy n PHE 50 N -4.51 0.00 0.00 1.37 3.01 0.17 -4.57 117.46 112.92 1smy n PHE 50 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1smy n PHE 50 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 1smy n PHE 50 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1smy n GLY 51 N 1.49 3.39 1.51 1.37 0.00 0.22 -3.77 105.19 109.40 1smy n GLY 51 Ca 0.00 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 1smy n GLY 51 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1smy n PRO 52 N -1.64 -3.36 0.00 1.61 -0.02 -1.26 -4.02 135.00 126.31 1smy n PRO 52 Ca 0.00 -0.69 0.00 0.00 -2.02 0.00 0.00 63.50 60.79 1smy n PRO 52 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1smy n PRO 52 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1smy n ILE 53 N -4.34 0.00 -2.82 4.25 0.13 -1.26 -4.67 119.36 110.65 1smy n ILE 53 Ca 0.07 0.00 -0.07 0.00 -1.10 0.00 0.00 62.75 61.64 1smy n ILE 53 Cb 0.28 -0.80 0.03 0.00 -0.84 0.00 0.00 39.64 38.31 1smy n ILE 53 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1smy n LYS 54 N -1.78 0.71 0.00 9.51 0.00 -1.26 -4.68 118.16 120.66 1smy n LYS 54 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 58.31 57.25 1smy n LYS 54 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 35.03 35.31 1smy n LYS 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1smy n ASP 55 N -2.83 0.00 -0.61 3.14 9.92 -1.26 -3.16 116.55 121.75 1smy n ASP 55 Ca 0.06 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.42 1smy n ASP 55 Cb 0.21 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.72 1smy n ASP 55 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1smy n TYR 56 N 0.00 0.00 -2.24 1.24 4.02 -1.26 -2.49 117.16 116.43 1smy n TYR 56 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 1smy n TYR 56 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.38 1smy n TYR 56 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1smy s GLU 57 N -2.04 2.27 0.59 -0.72 8.01 -1.26 -4.45 118.70 121.09 1smy s GLU 57 Ca 0.20 -0.26 0.02 0.00 0.01 0.00 0.00 54.97 54.93 1smy s GLU 57 Cb 0.17 -2.19 0.11 0.00 -4.31 0.00 0.00 34.13 27.91 1smy s GLU 57 CO 0.40 -1.17 0.81 0.00 0.01 0.00 0.00 175.26 175.31 1smy h ALA 59 N -0.40 -0.01 0.10 0.00 0.00 -1.94 -3.38 119.26 113.63 1smy h ALA 59 Ca -0.27 -0.58 -0.34 0.00 0.00 0.00 0.00 54.91 53.72 1smy h ALA 59 Cb 1.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1smy h ALA 59 CO 0.31 0.25 -1.85 0.00 0.00 0.00 0.00 179.25 177.95 1smy n GLY 61 N 1.85 1.05 0.35 0.00 0.00 -1.26 -4.99 105.19 102.19 1smy n GLY 61 Ca -0.26 0.00 0.18 0.00 0.00 0.00 0.00 46.02 45.94 1smy n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smy h LYS 62 N 1.87 0.00 -4.09 1.61 1.79 -1.95 -3.40 116.57 112.40 1smy h LYS 62 Ca 0.00 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.20 1smy h LYS 62 Cb 0.00 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 30.38 1smy h LYS 62 CO 0.00 0.00 -0.73 0.71 -1.08 0.00 0.00 179.45 178.35 1smy s TYR 63 N -4.76 0.30 0.00 -1.35 1.51 -1.26 -5.08 117.35 106.71 1smy s TYR 63 Ca -0.05 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1smy s TYR 63 Cb 0.16 -0.19 0.00 0.00 -0.11 0.00 0.00 41.96 41.82 1smy s TYR 63 CO 0.60 -0.03 0.01 1.63 -1.11 0.00 0.00 175.55 176.65 1smy n LYS 64 N 2.67 0.00 -4.18 -0.62 5.02 -1.26 -3.08 118.16 116.71 1smy n LYS 64 Ca -0.15 -0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 55.85 1smy n LYS 64 Cb 0.58 -0.33 -0.04 0.00 -0.02 0.00 0.00 35.03 35.22 1smy n LYS 64 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1smy n ARG 65 N 0.00 0.79 -0.14 1.97 3.00 -1.26 -4.17 116.66 116.86 1smy n ARG 65 Ca 0.00 -3.38 -0.12 0.00 -0.00 0.00 0.00 57.85 54.35 1smy n ARG 65 Cb 0.26 0.69 0.00 0.00 0.00 0.00 0.00 32.46 33.41 1smy n ARG 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1smy h GLN 66 N 0.00 0.95 -0.83 -0.14 1.08 -2.00 -3.32 115.11 110.86 1smy h GLN 66 Ca -0.37 -0.44 0.14 0.00 -1.45 0.00 0.00 58.65 56.53 1smy h GLN 66 Cb 1.20 -0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 28.47 1smy h GLN 66 CO 0.60 1.10 -0.29 -2.13 -0.95 0.00 0.00 178.83 177.17 1smy n ARG 67 N -4.09 -0.16 -2.35 1.46 3.00 -1.26 -0.70 116.66 112.56 1smy n ARG 67 Ca -0.01 1.28 -0.42 0.00 -0.00 0.00 0.00 57.85 58.71 1smy n ARG 67 Cb 0.49 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 31.05 1smy n ARG 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1smy n PHE 68 N -5.27 2.73 -0.13 -0.14 3.01 -1.25 -4.78 117.46 111.63 1smy n PHE 68 Ca 0.10 -2.75 -0.12 0.00 1.01 0.00 0.00 57.45 55.69 1smy n PHE 68 Cb 0.36 -1.79 -0.02 0.00 -0.01 0.00 0.00 39.48 38.03 1smy n PHE 68 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1smy h GLU 69 N 5.34 0.87 -0.07 -1.08 4.57 -1.15 -3.37 114.58 119.69 1smy h GLU 69 Ca 0.45 -0.40 -0.12 0.00 -1.18 0.00 0.00 59.36 58.11 1smy h GLU 69 Cb 0.53 -0.01 -0.20 0.00 -0.16 0.00 0.00 28.75 28.90 1smy h GLU 69 CO 1.53 1.05 -0.76 0.41 -1.18 0.00 0.00 179.01 180.05 1smy n GLY 70 N -0.02 3.44 3.40 1.92 0.00 -1.26 -4.13 105.19 108.54 1smy n GLY 70 Ca -0.02 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 1smy n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smy s LYS 71 N -2.02 1.73 0.23 1.61 1.02 -1.26 -5.01 119.74 116.04 1smy s LYS 71 Ca 0.37 -1.17 -0.07 0.00 0.02 0.00 0.00 55.97 55.12 1smy s LYS 71 Cb 0.38 -2.02 -0.06 0.00 -0.52 0.00 0.00 37.83 35.61 1smy s LYS 71 CO -0.10 0.49 0.52 0.54 -0.92 0.00 0.00 175.35 175.88 1smy s VAL 72 N -0.95 5.01 0.52 3.17 0.11 -1.26 -4.67 120.40 122.32 1smy s VAL 72 Ca 0.14 0.25 -0.21 0.00 -2.93 0.00 0.00 61.98 59.23 1smy s VAL 72 Cb -0.10 -3.66 -0.06 0.00 -1.53 0.00 0.00 36.38 31.03 1smy s VAL 72 CO 0.05 -0.13 1.19 0.00 -3.33 0.00 0.00 175.10 172.87 1smy h GLU 74 N 1.51 -0.73 -0.00 0.00 5.08 -1.99 -3.35 114.58 115.11 1smy h GLU 74 Ca -0.50 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1smy h GLU 74 Cb 1.27 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1smy h GLU 74 CO 0.58 -0.48 -0.18 0.54 -1.00 0.00 0.00 179.01 178.46 1smy n ARG 75 N -5.26 0.36 -3.68 2.33 3.00 -1.26 -4.86 116.66 107.29 1smy n ARG 75 Ca -0.09 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.85 57.48 1smy n ARG 75 Cb 0.30 -1.50 -0.08 0.00 0.00 0.00 0.00 32.46 31.18 1smy n ARG 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1smy s GLY 77 N 0.16 1.72 -0.32 0.00 0.00 -1.26 -3.77 107.32 103.84 1smy s GLY 77 Ca -0.01 -0.60 0.05 0.00 0.00 0.00 0.00 44.72 44.15 1smy s GLY 77 CO 0.01 1.63 0.51 0.14 0.00 0.00 0.00 173.10 175.39 1smy s VAL 78 N 2.84 -0.79 0.76 1.40 1.01 -1.26 -4.53 120.40 119.83 1smy s VAL 78 Ca 0.29 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1smy s VAL 78 Cb -0.14 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.53 1smy s VAL 78 CO 0.14 -0.17 1.13 -0.70 0.00 0.00 0.00 175.10 175.50 1smy s GLU 79 N 2.37 2.38 -0.11 2.72 2.12 -1.26 -4.21 118.70 122.72 1smy s GLU 79 Ca 0.12 0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.40 1smy s GLU 79 Cb -0.10 -1.99 0.07 0.00 0.26 0.00 0.00 34.13 32.36 1smy s GLU 79 CO -0.21 -1.32 0.70 0.54 -0.54 0.00 0.00 175.26 174.42 1smy s VAL 80 N -3.46 0.00 -0.17 3.70 0.11 -1.26 -4.61 120.40 114.71 1smy s VAL 80 Ca 0.60 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.36 1smy s VAL 80 Cb -0.11 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.85 1smy s VAL 80 CO 0.50 0.00 0.93 -0.89 -3.33 0.00 0.00 175.10 172.31 1smy s THR 81 N -0.78 0.00 0.71 5.04 2.01 -1.26 -4.73 115.64 116.64 1smy s THR 81 Ca -0.08 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.74 1smy s THR 81 Cb -0.01 -1.00 -0.15 0.00 0.01 0.00 0.00 72.50 71.35 1smy s THR 81 CO 0.07 0.00 -0.40 0.29 -0.69 0.00 0.00 174.62 173.90 1smy n LYS 82 N 1.22 0.00 -0.03 4.92 5.02 -1.04 -4.59 118.16 123.66 1smy n LYS 82 Ca -0.13 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.20 1smy n LYS 82 Cb 0.57 -1.01 0.05 0.00 -0.02 0.00 0.00 35.03 34.62 1smy n LYS 82 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1smy n SER 83 N 2.87 0.00 -0.32 4.39 7.64 -1.19 -2.86 113.62 124.16 1smy n SER 83 Ca 0.04 0.09 0.10 0.00 1.01 0.00 0.00 58.87 60.10 1smy n SER 83 Cb 0.51 -0.03 0.27 0.00 -1.01 0.00 0.00 64.21 63.94 1smy n SER 83 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1smy h ILE 84 N 0.00 0.69 -0.69 0.44 3.07 -1.93 0.02 117.51 119.11 1smy h ILE 84 Ca 0.06 -0.22 0.06 0.00 1.55 0.00 0.00 64.86 66.31 1smy h ILE 84 Cb 0.34 -0.01 -0.04 0.00 -0.27 0.00 0.00 36.82 36.84 1smy h ILE 84 CO -0.00 0.12 0.45 -0.37 -1.05 0.00 0.00 178.15 177.30 1smy h VAL 85 N 0.64 1.01 -0.00 0.16 -1.51 -1.77 0.33 116.25 115.10 1smy h VAL 85 Ca 0.51 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 1smy h VAL 85 Cb 0.78 0.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1smy h VAL 85 CO -0.39 0.13 0.01 -0.09 -1.23 0.00 0.00 177.57 176.00 1smy h ARG 86 N 0.70 0.00 0.00 5.19 2.43 -1.08 -2.71 114.38 118.91 1smy h ARG 86 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1smy h ARG 86 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1smy h ARG 86 CO -0.10 0.00 0.00 2.89 -1.51 0.00 0.00 179.97 181.25 1smy n ARG 87 N -3.29 0.00 0.26 0.20 1.85 0.11 -3.80 116.66 112.00 1smy n ARG 87 Ca -0.03 0.16 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1smy n ARG 87 Cb 0.08 -0.65 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 1smy n ARG 87 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1smy n TYR 88 N -1.04 0.00 -2.76 2.89 0.53 -1.14 -4.25 117.16 111.39 1smy n TYR 88 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.58 1smy n TYR 88 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.29 1smy n TYR 88 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 1smy s ARG 89 N -3.56 3.73 0.05 -0.72 0.52 -1.03 -4.94 118.95 113.01 1smy s ARG 89 Ca 0.00 0.44 0.06 0.00 -0.52 0.00 0.00 55.73 55.71 1smy s ARG 89 Cb 0.00 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.08 1smy s ARG 89 CO 0.00 -0.10 -0.16 -1.64 0.02 0.00 0.00 175.30 173.43 1smy s MET 90 N -4.07 0.99 0.52 3.54 -1.94 -1.26 -3.65 119.30 113.43 1smy s MET 90 Ca 0.51 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.66 1smy s MET 90 Cb -0.10 -1.04 0.02 0.00 2.01 0.00 0.00 34.83 35.71 1smy s MET 90 CO 0.35 0.25 0.29 0.20 -0.01 0.00 0.00 175.02 176.10 1smy s GLY 91 N -1.36 2.51 -0.02 -0.03 0.00 -0.99 -1.93 107.32 105.51 1smy s GLY 91 Ca 0.02 -1.15 -0.03 0.00 0.00 0.00 0.00 44.72 43.56 1smy s GLY 91 CO 0.02 -1.99 0.07 -2.38 0.00 0.00 0.00 173.10 168.82 1smy s HIS 92 N -2.77 -0.01 -0.18 1.90 -3.43 -1.23 0.14 115.29 109.70 1smy s HIS 92 Ca 0.29 0.04 -0.08 0.00 -0.80 0.00 0.00 55.06 54.51 1smy s HIS 92 Cb -0.01 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.08 1smy s HIS 92 CO 0.17 -0.10 0.08 0.42 -2.00 0.00 0.00 174.74 173.30 1smy s ILE 93 N -0.43 4.93 -0.62 -5.38 1.01 -0.14 -3.11 121.20 117.46 1smy s ILE 93 Ca -0.05 0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 1smy s ILE 93 Cb -0.03 -3.22 0.07 0.00 0.01 0.00 0.00 42.46 39.28 1smy s ILE 93 CO 0.00 0.46 0.92 -0.70 0.00 0.00 0.00 174.94 175.62 1smy s GLU 94 N 0.33 3.15 0.52 2.79 2.56 -1.26 -2.28 118.70 124.50 1smy s GLU 94 Ca 0.04 -0.75 -0.22 0.00 0.00 0.00 0.00 54.97 54.04 1smy s GLU 94 Cb -0.12 -4.19 -0.06 0.00 2.00 0.00 0.00 34.13 31.77 1smy s GLU 94 CO -0.00 -1.70 1.27 -0.51 -0.56 0.00 0.00 175.26 173.77 1smy s LEU 95 N 3.86 3.89 0.00 2.70 1.02 -0.73 -4.99 118.68 124.44 1smy s LEU 95 Ca 0.23 2.56 0.00 0.00 0.02 0.00 0.00 54.13 56.94 1smy s LEU 95 Cb -0.17 -4.29 0.00 0.00 0.02 0.00 0.00 46.19 41.75 1smy s LEU 95 CO 0.12 -1.33 0.53 0.00 0.02 0.00 0.00 176.35 175.69 1smy n ALA 96 N -0.88 -0.23 -4.08 4.21 0.00 -1.26 -4.74 120.51 113.53 1smy n ALA 96 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 1smy n ALA 96 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 1smy n ALA 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1smy s THR 97 N -1.82 2.12 0.01 0.00 2.01 -1.26 -5.09 115.64 111.61 1smy s THR 97 Ca 0.00 -1.43 -0.01 0.00 0.31 0.00 0.00 61.69 60.56 1smy s THR 97 Cb 0.00 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1smy s THR 97 CO 0.00 0.13 0.01 -2.65 -0.69 0.00 0.00 174.62 171.42 1smy n PRO 98 N 4.49 0.00 -4.27 4.92 -0.02 -1.26 -4.90 135.00 133.95 1smy n PRO 98 Ca -0.16 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.17 1smy n PRO 98 Cb 0.44 -0.03 -0.10 0.00 -0.02 0.00 0.00 33.50 33.79 1smy n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smy s ALA 99 N -0.03 1.56 0.12 3.55 0.00 -0.09 -4.15 121.76 122.71 1smy s ALA 99 Ca 0.02 -1.54 0.09 0.00 0.00 0.00 0.00 51.96 50.53 1smy s ALA 99 Cb -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1smy s ALA 99 CO 0.02 -0.08 -0.18 0.00 0.00 0.00 0.00 175.76 175.52 1smy s ALA 100 N -3.28 2.69 -0.08 0.00 0.00 -1.26 -1.42 121.76 118.41 1smy s ALA 100 Ca 0.18 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 1smy s ALA 100 Cb 0.02 -0.66 -0.06 0.00 0.00 0.00 0.00 23.12 22.42 1smy s ALA 100 CO 0.02 0.59 1.91 -1.58 0.00 0.00 0.00 175.76 176.71 1smy s HIS 101 N -1.14 1.51 0.33 0.00 2.46 -1.25 -4.84 115.29 112.36 1smy s HIS 101 Ca 0.18 0.03 0.05 0.00 0.47 0.00 0.00 55.06 55.79 1smy s HIS 101 Cb -0.11 -4.08 0.69 0.00 -0.13 0.00 0.00 32.58 28.96 1smy s HIS 101 CO 0.10 -4.53 1.90 0.97 -2.47 0.00 0.00 174.74 170.71 1smy h ILE 102 N 6.04 0.95 -1.03 0.89 2.10 -1.93 -2.60 117.51 121.93 1smy h ILE 102 Ca -0.43 -0.29 0.28 0.00 1.08 0.00 0.00 64.86 65.50 1smy h ILE 102 Cb 1.21 0.04 -0.12 0.00 -1.09 0.00 0.00 36.82 36.86 1smy h ILE 102 CO 0.96 0.15 0.62 -0.50 -1.08 0.00 0.00 178.15 178.30 1smy h TRP 103 N 0.83 0.89 -0.19 2.19 4.06 -1.97 0.58 115.95 122.34 1smy h TRP 103 Ca 0.41 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.39 1smy h TRP 103 Cb 0.45 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1smy h TRP 103 CO -0.00 -0.00 0.00 1.19 -3.56 0.00 0.00 178.44 176.06 1smy n PHE 104 N -4.85 0.23 -0.09 0.49 0.99 -0.98 -3.64 117.46 109.60 1smy n PHE 104 Ca 0.28 -0.11 -0.12 0.00 -0.00 0.00 0.00 57.45 57.50 1smy n PHE 104 Cb 0.87 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 39.25 1smy n PHE 104 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1smy n VAL 105 N 1.10 1.09 -0.28 -4.37 0.31 0.18 -2.73 118.33 113.62 1smy n VAL 105 Ca 0.17 -0.48 0.07 0.00 -0.01 0.00 0.00 64.34 64.09 1smy n VAL 105 Cb 0.53 -1.03 0.21 0.00 -0.91 0.00 0.00 33.84 32.64 1smy n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1smy n LYS 106 N -2.93 2.88 -2.39 5.55 4.76 0.06 -4.61 118.16 121.48 1smy n LYS 106 Ca -0.32 -2.27 -0.42 0.00 -2.87 0.00 0.00 58.31 52.43 1smy n LYS 106 Cb 0.90 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.67 1smy n LYS 106 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1smy s ASP 107 N -1.04 6.99 0.03 4.39 2.15 -1.24 -4.89 116.67 123.06 1smy s ASP 107 Ca 0.31 1.93 -0.05 0.00 0.43 0.00 0.00 52.55 55.17 1smy s ASP 107 Cb 0.17 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 40.22 1smy s ASP 107 CO 0.20 -0.61 0.32 0.52 -0.17 0.00 0.00 175.17 175.43 1smy n VAL 108 N 4.54 -0.11 -2.74 1.11 0.31 -1.26 -0.36 118.33 119.83 1smy n VAL 108 Ca 0.11 0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 64.52 1smy n VAL 108 Cb 0.45 -0.63 -0.02 0.00 -0.91 0.00 0.00 33.84 32.74 1smy n VAL 108 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1smy s PRO 109 N -4.49 3.73 -0.81 5.55 0.02 -1.26 -4.88 135.00 132.85 1smy s PRO 109 Ca -0.02 -1.68 -0.31 0.00 0.02 0.00 0.00 61.00 59.00 1smy s PRO 109 Cb 0.02 -5.20 -0.18 0.00 0.02 0.00 0.00 34.50 29.15 1smy s PRO 109 CO 0.10 -2.01 2.56 0.45 -0.33 0.00 0.00 177.00 177.77 1smy n SER 110 N 7.59 0.87 0.17 2.53 2.88 0.52 -4.70 113.62 123.47 1smy n SER 110 Ca 0.33 0.10 0.19 0.00 -1.33 0.00 0.00 58.87 58.15 1smy n SER 110 Cb 0.48 -1.08 0.78 0.00 -0.75 0.00 0.00 64.21 63.65 1smy n SER 110 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1smy h LYS 111 N 13.34 0.00 0.08 -1.46 1.79 -1.72 0.41 116.57 129.01 1smy h LYS 111 Ca -0.11 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.04 1smy h LYS 111 Cb 1.31 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 1smy h LYS 111 CO 1.29 0.00 -1.78 0.97 -1.08 0.00 0.00 179.45 178.86 1smy h ILE 112 N 0.00 0.84 0.00 1.86 6.09 -1.82 -3.19 117.51 121.28 1smy h ILE 112 Ca 0.13 -2.58 -0.12 0.00 -1.37 0.00 0.00 64.86 60.91 1smy h ILE 112 Cb 0.87 2.54 -0.02 0.00 0.47 0.00 0.00 36.82 40.68 1smy h ILE 112 CO -0.00 0.74 -0.57 1.23 -3.07 0.00 0.00 178.15 176.48 1smy h GLY 113 N 2.10 0.00 0.60 8.18 0.00 -0.80 -0.44 103.07 112.71 1smy h GLY 113 Ca -0.33 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1smy h GLY 113 CO 0.10 0.00 -0.29 -0.84 0.00 0.00 0.00 176.54 175.51 1smy h THR 114 N 0.00 0.00 0.00 4.70 2.02 -0.51 -3.22 112.91 115.90 1smy h THR 114 Ca -0.01 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1smy h THR 114 Cb 1.02 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1smy h THR 114 CO 0.07 0.00 0.00 -0.11 0.37 0.00 0.00 175.52 175.85 1smy n LEU 115 N -4.93 0.00 -4.56 2.58 7.94 -1.20 -3.86 117.00 112.97 1smy n LEU 115 Ca -0.10 0.61 -0.38 0.00 -1.11 0.00 0.00 56.01 55.03 1smy n LEU 115 Cb 0.32 -0.11 -0.03 0.00 0.53 0.00 0.00 43.42 44.13 1smy n LEU 115 CO 0.24 -0.11 1.89 -0.76 -1.11 0.00 0.00 177.39 177.54 1smy s LEU 116 N -2.00 3.39 -1.08 -1.96 1.43 -0.18 -4.80 118.68 113.48 1smy s LEU 116 Ca 0.00 1.00 -0.26 0.00 -1.03 0.00 0.00 54.13 53.84 1smy s LEU 116 Cb 0.00 -2.66 -0.20 0.00 0.03 0.00 0.00 46.19 43.36 1smy s LEU 116 CO 0.00 -2.62 2.10 -0.62 0.23 0.00 0.00 176.35 175.44 1smy s ASP 117 N 10.58 3.74 0.22 2.29 2.15 -1.25 -4.36 116.67 130.04 1smy s ASP 117 Ca 0.90 -1.03 0.08 0.00 0.43 0.00 0.00 52.55 52.92 1smy s ASP 117 Cb -0.18 -2.59 -0.05 0.00 -0.30 0.00 0.00 42.92 39.80 1smy s ASP 117 CO 0.26 -4.42 -0.13 -0.76 -0.17 0.00 0.00 175.17 169.95 1smy s LEU 118 N 15.85 2.54 -0.86 -1.34 1.02 -1.22 -5.00 118.68 129.68 1smy s LEU 118 Ca 0.80 -1.06 -0.20 0.00 0.02 0.00 0.00 54.13 53.69 1smy s LEU 118 Cb -0.05 -0.68 -0.21 0.00 0.02 0.00 0.00 46.19 45.27 1smy s LEU 118 CO 0.17 -0.20 2.33 -1.20 0.02 0.00 0.00 176.35 177.47 1smy n SER 119 N -0.44 0.61 0.00 2.29 7.64 -1.26 -4.66 113.62 117.80 1smy n SER 119 Ca -0.07 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.77 1smy n SER 119 Cb 0.61 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1smy n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1smy n ALA 120 N 13.55 0.00 0.00 -0.43 0.00 -1.26 -1.00 120.51 131.38 1smy n ALA 120 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1smy n ALA 120 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1smy n ALA 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1smy n THR 121 N -3.09 0.00 -0.09 0.00 -1.04 -1.26 -4.51 114.28 104.29 1smy n THR 121 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 1smy n THR 121 Cb 0.00 -0.29 -0.12 0.00 -1.82 0.00 0.00 70.33 68.10 1smy n THR 121 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1smy n GLU 122 N -1.27 0.65 0.04 -2.82 1.02 -0.17 -4.16 120.64 113.93 1smy n GLU 122 Ca 0.00 0.28 -0.15 0.00 -0.02 0.00 0.00 57.16 57.27 1smy n GLU 122 Cb 0.20 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 29.93 1smy n GLU 122 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1smy h LEU 123 N -0.41 -1.58 -0.03 -4.62 6.46 -1.55 -2.23 115.31 111.34 1smy h LEU 123 Ca -0.53 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1smy h LEU 123 Cb 1.76 0.61 -0.01 0.00 -0.73 0.00 0.00 40.66 42.29 1smy h LEU 123 CO -0.15 -0.50 -0.04 -0.33 -0.62 0.00 0.00 178.44 176.80 1smy h GLU 124 N -0.63 -0.03 -1.03 1.25 5.08 -1.80 -0.58 114.58 116.85 1smy h GLU 124 Ca 0.03 0.00 0.38 0.00 -1.00 0.00 0.00 59.36 58.77 1smy h GLU 124 Cb 0.70 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.82 1smy h GLU 124 CO -0.37 -0.02 0.62 0.94 -1.00 0.00 0.00 179.01 179.18 1smy n GLN 125 N -2.93 -0.04 -0.03 2.33 -0.06 -1.15 0.14 117.38 115.64 1smy n GLN 125 Ca -0.00 1.10 -0.15 0.00 -2.00 0.00 0.00 57.00 55.95 1smy n GLN 125 Cb 0.03 -2.09 -0.09 0.00 -4.06 0.00 0.00 30.24 24.03 1smy n GLN 125 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1smy h VAL 126 N 0.00 1.41 0.08 1.69 2.07 -0.51 -3.25 116.25 117.74 1smy h VAL 126 Ca 0.73 -1.73 -0.32 0.00 0.82 0.00 0.00 66.70 66.20 1smy h VAL 126 Cb 2.18 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 34.20 1smy h VAL 126 CO -0.50 0.50 -1.72 0.00 0.02 0.00 0.00 177.57 175.87 1smy n LEU 127 N -4.38 2.34 -0.04 2.57 -0.00 0.14 -3.31 117.00 114.32 1smy n LEU 127 Ca -0.08 0.29 -0.10 0.00 -0.00 0.00 0.00 56.01 56.12 1smy n LEU 127 Cb 0.52 -1.06 -0.07 0.00 -0.00 0.00 0.00 43.42 42.81 1smy n LEU 127 CO 0.43 0.63 0.50 1.88 -0.00 0.00 0.00 177.39 180.83 1smy h TYR 128 N -0.35 -1.12 0.03 1.47 -1.99 0.11 -2.48 116.97 112.64 1smy h TYR 128 Ca -0.40 0.05 -0.27 0.00 2.00 0.00 0.00 58.73 60.10 1smy h TYR 128 Cb 1.75 0.51 -0.03 0.00 2.00 0.00 0.00 36.73 40.96 1smy h TYR 128 CO 0.08 -0.35 -1.47 0.74 -0.00 0.00 0.00 178.16 177.16 1smy h PHE 129 N -0.35 0.10 0.00 4.88 -1.00 -1.73 -3.37 116.94 115.48 1smy h PHE 129 Ca 0.03 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1smy h PHE 129 Cb 0.44 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.99 1smy h PHE 129 CO -0.60 1.10 0.00 0.45 -1.61 0.00 0.00 178.31 177.66 1smy n SER 130 N -3.23 0.00 -2.55 2.17 2.88 -1.21 -4.61 113.62 107.06 1smy n SER 130 Ca -0.12 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.29 1smy n SER 130 Cb 1.02 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.50 1smy n SER 130 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1smy n LYS 131 N 0.00 2.25 -3.08 -1.46 2.85 -1.26 -4.49 118.16 112.98 1smy n LYS 131 Ca 0.00 -3.76 -0.44 0.00 -1.05 0.00 0.00 58.31 53.06 1smy n LYS 131 Cb 0.00 -1.75 0.00 0.00 -0.65 0.00 0.00 35.03 32.63 1smy n LYS 131 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1smy n TYR 132 N -0.43 4.14 -1.10 5.58 4.02 -1.21 -4.68 117.16 123.47 1smy n TYR 132 Ca 0.21 -3.33 -0.35 0.00 -0.01 0.00 0.00 57.90 54.42 1smy n TYR 132 Cb 0.81 -1.68 0.00 0.00 -0.02 0.00 0.00 39.34 38.45 1smy n TYR 132 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1smy n ILE 133 N 2.67 0.39 -3.99 -0.72 -5.35 -1.25 -4.30 119.36 106.81 1smy n ILE 133 Ca 0.28 -0.43 -0.30 0.00 -0.27 0.00 0.00 62.75 62.03 1smy n ILE 133 Cb 0.38 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.12 1smy n ILE 133 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1smy s VAL 134 N -1.52 1.59 -0.82 7.28 -7.23 -0.68 -1.94 120.40 117.07 1smy s VAL 134 Ca 0.50 -0.91 -0.22 0.00 -1.81 0.00 0.00 61.98 59.54 1smy s VAL 134 Cb -0.51 -1.64 -0.18 0.00 0.56 0.00 0.00 36.38 34.60 1smy s VAL 134 CO 0.55 0.22 2.37 0.18 -0.31 0.00 0.00 175.10 178.10 1smy n LEU 135 N 4.71 1.04 0.00 1.32 4.77 -1.09 -3.84 117.00 123.91 1smy n LEU 135 Ca -0.15 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.70 1smy n LEU 135 Cb 0.47 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1smy n LEU 135 CO 0.20 -2.21 0.00 0.47 -1.33 0.00 0.00 177.39 174.52 1smy n ASP 136 N 15.18 0.00 -0.87 -1.43 9.92 -0.57 -4.13 116.55 134.65 1smy n ASP 136 Ca 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 1smy n ASP 136 Cb 0.36 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 1smy n ASP 136 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1smy n PRO 137 N 0.00 3.62 -0.82 -0.24 -0.02 -1.26 -4.77 135.00 131.51 1smy n PRO 137 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 1smy n PRO 137 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 33.59 1smy n PRO 137 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1smy n LYS 138 N 0.00 -0.65 -1.57 -0.52 5.02 -1.26 -4.57 118.16 114.61 1smy n LYS 138 Ca 0.00 -0.17 -0.02 0.00 -2.02 0.00 0.00 58.31 56.11 1smy n LYS 138 Cb 0.00 -1.53 0.03 0.00 -0.02 0.00 0.00 35.03 33.51 1smy n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1smy n GLY 139 N 2.32 0.16 0.00 0.72 0.00 -1.26 -2.18 105.19 104.94 1smy n GLY 139 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1smy n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy n ALA 140 N -0.44 0.00 -1.21 4.61 0.00 -1.26 -4.62 120.51 117.59 1smy n ALA 140 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 1smy n ALA 140 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1smy n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1smy n ILE 141 N 0.00 0.33 -2.99 0.00 -0.00 -1.26 -4.33 119.36 111.11 1smy n ILE 141 Ca 0.00 -0.48 -0.18 0.00 -0.00 0.00 0.00 62.75 62.09 1smy n ILE 141 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.64 39.67 1smy n ILE 141 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 1smy s LEU 142 N 4.42 3.41 -0.01 1.39 0.05 -1.26 -4.38 118.68 122.31 1smy s LEU 142 Ca 0.55 -0.57 0.08 0.00 0.05 0.00 0.00 54.13 54.24 1smy s LEU 142 Cb -0.55 -2.25 -0.10 0.00 -2.05 0.00 0.00 46.19 41.24 1smy s LEU 142 CO 0.61 -1.03 0.25 -0.46 -0.55 0.00 0.00 176.35 175.17 1smy n ASN 143 N -2.05 1.84 0.00 1.48 6.94 -1.26 -4.87 115.26 117.34 1smy n ASN 143 Ca 0.11 -0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.35 1smy n ASN 143 Cb 0.60 1.19 0.00 0.00 -2.36 0.00 0.00 39.78 39.21 1smy n ASN 143 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1smy n GLY 144 N 1.63 0.48 3.34 4.83 0.00 -1.26 -5.12 105.19 109.10 1smy n GLY 144 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1smy n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smy s VAL 145 N 0.00 0.64 0.92 1.61 0.11 -1.26 -5.16 120.40 117.26 1smy s VAL 145 Ca 0.00 -2.00 -0.11 0.00 -2.93 0.00 0.00 61.98 56.94 1smy s VAL 145 Cb 0.00 -2.65 0.14 0.00 -1.53 0.00 0.00 36.38 32.35 1smy s VAL 145 CO 0.00 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.70 1smy s PRO 146 N -3.99 1.07 0.34 1.54 0.04 -1.26 -4.39 135.00 128.35 1smy s PRO 146 Ca 0.37 0.88 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 1smy s PRO 146 Cb 0.08 -1.78 -0.14 0.00 0.04 0.00 0.00 34.50 32.70 1smy s PRO 146 CO 0.14 -2.39 0.68 0.28 0.04 0.00 0.00 177.00 175.76 1smy n VAL 147 N -3.99 1.87 -2.32 -0.36 0.31 -1.26 -4.84 118.33 107.75 1smy n VAL 147 Ca 0.07 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.47 1smy n VAL 147 Cb 0.55 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1smy n VAL 147 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1smy n GLU 148 N 0.71 3.48 -0.14 5.55 4.71 -1.26 -4.86 120.64 128.83 1smy n GLU 148 Ca 0.12 -3.43 0.07 0.00 -0.01 0.00 0.00 57.16 53.91 1smy n GLU 148 Cb 0.34 -3.00 0.13 0.00 -1.01 0.00 0.00 31.44 27.91 1smy n GLU 148 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1smy n LYS 149 N 4.45 -0.03 -1.05 3.49 0.00 -1.26 -0.70 118.16 123.06 1smy n LYS 149 Ca 0.41 0.62 0.03 0.00 -0.00 0.00 0.00 58.31 59.37 1smy n LYS 149 Cb 0.37 -0.99 0.02 0.00 -0.00 0.00 0.00 35.03 34.44 1smy n LYS 149 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1smy n ARG 150 N -4.38 0.10 -4.04 -1.58 0.63 -1.26 -4.49 116.66 101.64 1smy n ARG 150 Ca 0.10 -1.69 -0.22 0.00 -0.92 0.00 0.00 57.85 55.12 1smy n ARG 150 Cb 0.34 -0.29 -0.04 0.00 0.45 0.00 0.00 32.46 32.91 1smy n ARG 150 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1smy s GLN 151 N -0.21 2.85 0.19 -0.14 -0.21 0.12 -4.91 119.66 117.35 1smy s GLN 151 Ca 0.21 -1.13 0.05 0.00 0.02 0.00 0.00 55.36 54.52 1smy s GLN 151 Cb 0.24 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1smy s GLN 151 CO -0.10 0.32 0.18 -0.48 -2.12 0.00 0.00 175.29 173.09 1smy s LEU 152 N -3.88 3.90 0.25 2.90 2.34 -1.26 -2.67 118.68 120.25 1smy s LEU 152 Ca 0.35 -0.12 0.01 0.00 0.06 0.00 0.00 54.13 54.43 1smy s LEU 152 Cb -0.07 -2.48 -0.05 0.00 -0.56 0.00 0.00 46.19 43.04 1smy s LEU 152 CO 0.25 0.03 0.12 -0.76 -1.06 0.00 0.00 176.35 174.93 1smy s LEU 153 N -3.36 1.50 0.34 1.48 1.43 -0.82 -5.02 118.68 114.24 1smy s LEU 153 Ca 0.32 -1.42 0.07 0.00 -1.03 0.00 0.00 54.13 52.07 1smy s LEU 153 Cb -0.10 0.17 -0.02 0.00 0.03 0.00 0.00 46.19 46.27 1smy s LEU 153 CO 0.25 -0.80 0.37 -0.89 0.23 0.00 0.00 176.35 175.51 1smy s THR 154 N -3.84 3.69 0.21 5.49 2.01 -1.26 -3.75 115.64 118.18 1smy s THR 154 Ca 0.38 -1.22 -0.09 0.00 0.31 0.00 0.00 61.69 61.06 1smy s THR 154 Cb 0.07 -3.26 0.15 0.00 0.01 0.00 0.00 72.50 69.48 1smy s THR 154 CO 0.14 -0.16 1.73 -0.78 -0.69 0.00 0.00 174.62 174.87 1smy h ASP 155 N 1.10 0.18 -0.11 3.53 -0.00 -1.98 0.23 116.42 119.36 1smy h ASP 155 Ca -0.45 0.09 0.02 0.00 -0.00 0.00 0.00 57.03 56.69 1smy h ASP 155 Cb 1.26 0.08 -0.02 0.00 -0.00 0.00 0.00 39.33 40.65 1smy h ASP 155 CO 0.56 0.11 -0.00 -0.33 -0.00 0.00 0.00 179.24 179.57 1smy h GLU 156 N 0.38 0.03 -0.08 0.28 4.39 -1.98 0.80 114.58 118.40 1smy h GLU 156 Ca 0.31 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.90 1smy h GLU 156 Cb 0.41 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1smy h GLU 156 CO -0.33 0.02 -0.48 0.93 -1.16 0.00 0.00 179.01 178.00 1smy h GLU 157 N 0.03 0.20 0.36 2.33 5.08 -1.84 -1.27 114.58 119.47 1smy h GLU 157 Ca 0.05 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1smy h GLU 157 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1smy h GLU 157 CO -0.09 0.64 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.47 1smy h TYR 158 N 0.17 -0.44 -0.28 4.33 3.20 0.09 -2.65 116.97 121.39 1smy h TYR 158 Ca 0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1smy h TYR 158 Cb 0.90 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 1smy h TYR 158 CO 0.01 -0.14 0.20 -0.09 -1.64 0.00 0.00 178.16 176.50 1smy h ARG 159 N -0.73 0.05 -0.40 1.82 2.43 0.65 0.19 114.38 118.39 1smy h ARG 159 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1smy h ARG 159 Cb 0.50 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1smy h ARG 159 CO 0.08 0.03 0.00 -1.91 -1.51 0.00 0.00 179.97 176.66 1smy n GLU 160 N -4.47 1.37 0.02 0.20 2.13 -0.49 -3.71 120.64 115.69 1smy n GLU 160 Ca 0.03 -0.42 -0.02 0.00 0.66 0.00 0.00 57.16 57.41 1smy n GLU 160 Cb 0.32 -1.27 -0.01 0.00 0.27 0.00 0.00 31.44 30.75 1smy n GLU 160 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1smy n LEU 161 N -0.08 0.99 0.19 4.31 4.77 0.65 -4.46 117.00 123.36 1smy n LEU 161 Ca 0.04 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.01 1smy n LEU 161 Cb 0.20 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 1smy n LEU 161 CO 0.03 -0.48 0.76 0.08 -1.33 0.00 0.00 177.39 176.45 1smy h ARG 162 N -0.15 -0.40 0.00 3.23 0.11 -1.62 -3.05 114.38 112.50 1smy h ARG 162 Ca -0.03 0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1smy h ARG 162 Cb 0.41 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.58 1smy h ARG 162 CO -0.02 -0.25 0.00 0.98 0.10 0.00 0.00 179.97 180.78 1smy n TYR 163 N -5.26 0.00 0.00 4.08 4.19 -1.24 -4.51 117.16 114.42 1smy n TYR 163 Ca -0.10 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.11 1smy n TYR 163 Cb 0.19 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.02 1smy n TYR 163 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1smy n GLY 164 N 0.48 1.31 0.18 2.98 0.00 -1.15 -4.79 105.19 104.19 1smy n GLY 164 Ca 0.10 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.97 1smy n GLY 164 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1smy h LYS 165 N 0.00 0.25 -3.44 1.61 3.11 -1.78 -3.38 116.57 112.95 1smy h LYS 165 Ca 0.00 -0.16 -0.16 0.00 -2.81 0.00 0.00 60.65 57.51 1smy h LYS 165 Cb 0.00 0.02 -0.23 0.00 -1.00 0.00 0.00 32.23 31.02 1smy h LYS 165 CO 0.00 0.75 -0.51 -1.14 -2.81 0.00 0.00 179.45 175.74 1smy s GLN 166 N -3.85 0.35 -0.46 1.90 2.00 -1.26 -4.94 119.66 113.40 1smy s GLN 166 Ca -0.04 -0.11 0.03 0.00 -2.00 0.00 0.00 55.36 53.23 1smy s GLN 166 Cb 0.12 0.15 0.14 0.00 0.80 0.00 0.00 33.01 34.22 1smy s GLN 166 CO 0.79 -0.07 0.25 -2.00 -0.50 0.00 0.00 175.29 173.76 1smy s GLU 167 N -0.70 1.44 -0.11 1.67 2.12 -1.26 -2.26 118.70 119.60 1smy s GLU 167 Ca -0.08 -2.16 -0.02 0.00 0.36 0.00 0.00 54.97 53.08 1smy s GLU 167 Cb -0.05 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 1smy s GLU 167 CO 0.01 -1.16 -0.04 0.99 -0.54 0.00 0.00 175.26 174.52 1smy s THR 168 N 0.18 3.92 -0.21 -1.70 2.01 -1.02 -5.01 115.64 113.81 1smy s THR 168 Ca 0.18 -0.38 0.13 0.00 0.31 0.00 0.00 61.69 61.93 1smy s THR 168 Cb -0.24 -2.66 0.44 0.00 0.01 0.00 0.00 72.50 70.06 1smy s THR 168 CO -0.01 0.56 1.19 0.00 -0.69 0.00 0.00 174.62 175.68 1smy n TYR 169 N 2.75 0.96 -1.45 4.92 4.11 -1.26 0.33 117.16 127.52 1smy n TYR 169 Ca -0.18 -1.65 -0.47 0.00 -0.00 0.00 0.00 57.90 55.60 1smy n TYR 169 Cb 0.53 -0.26 -0.09 0.00 -0.00 0.00 0.00 39.34 39.52 1smy n TYR 169 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 1smy n PRO 170 N -0.74 0.71 -3.51 -3.48 -0.02 -1.21 -4.41 135.00 122.35 1smy n PRO 170 Ca 0.24 0.14 -0.39 0.00 -2.02 0.00 0.00 63.50 61.47 1smy n PRO 170 Cb 0.85 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.90 1smy n PRO 170 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1smy s LEU 171 N 8.46 4.19 0.89 2.45 2.96 -1.26 -1.98 118.68 134.39 1smy s LEU 171 Ca 1.14 -0.07 -0.13 0.00 -0.22 0.00 0.00 54.13 54.86 1smy s LEU 171 Cb -0.89 -2.22 0.06 0.00 0.50 0.00 0.00 46.19 43.64 1smy s LEU 171 CO 0.47 -0.16 0.70 -2.65 -1.32 0.00 0.00 176.35 173.39 1smy n PRO 172 N 5.17 -0.16 -4.11 0.98 -0.02 -1.22 -4.92 135.00 130.72 1smy n PRO 172 Ca -0.12 0.01 -0.26 0.00 -2.02 0.00 0.00 63.50 61.11 1smy n PRO 172 Cb 0.51 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1smy n PRO 172 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1smy s PRO 173 N -3.79 2.82 5.02 0.52 0.02 -1.26 -4.65 135.00 133.68 1smy s PRO 173 Ca 0.63 -0.94 0.00 0.00 0.02 0.00 0.00 61.00 60.71 1smy s PRO 173 Cb -0.25 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.69 1smy s PRO 173 CO 0.61 0.47 0.00 0.41 -0.33 0.00 0.00 177.00 178.16 1smy n GLY 174 N -0.43 0.46 0.00 0.52 0.00 -1.26 -4.43 105.19 100.05 1smy n GLY 174 Ca -0.08 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1smy n GLY 174 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1smy n VAL 175 N 0.00 0.00 -0.02 1.61 0.31 -1.26 -4.93 118.33 114.03 1smy n VAL 175 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1smy n VAL 175 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1smy n VAL 175 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1smy n ASP 176 N -0.24 1.27 0.00 4.52 8.00 -1.26 -4.61 116.55 124.23 1smy n ASP 176 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1smy n ASP 176 Cb 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1smy n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1smy n ALA 177 N -3.79 0.00 0.29 2.24 0.00 -1.26 -2.19 120.51 115.80 1smy n ALA 177 Ca -0.11 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.51 1smy n ALA 177 Cb 0.35 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.67 1smy n ALA 177 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1smy h LEU 178 N 0.00 0.00 0.00 0.00 3.38 -1.93 -2.64 115.31 114.13 1smy h LEU 178 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1smy h LEU 178 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1smy h LEU 178 CO 0.00 0.03 0.00 0.52 0.09 0.00 0.00 178.44 179.08 1smy n VAL 179 N -3.20 0.57 -0.04 1.22 0.31 -1.01 -3.01 118.33 113.17 1smy n VAL 179 Ca -0.01 0.14 -0.05 0.00 -0.01 0.00 0.00 64.34 64.41 1smy n VAL 179 Cb 0.22 -0.96 -0.06 0.00 -0.91 0.00 0.00 33.84 32.13 1smy n VAL 179 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1smy n LYS 180 N -1.22 1.65 0.04 5.55 5.02 -0.93 -4.18 118.16 124.09 1smy n LYS 180 Ca 0.06 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 1smy n LYS 180 Cb 0.08 -1.21 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 1smy n LYS 180 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1smy h ASP 181 N 0.00 -0.04 0.06 4.39 3.32 -1.62 -3.09 116.42 119.44 1smy h ASP 181 Ca -0.22 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 1smy h ASP 181 Cb 1.44 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.00 1smy h ASP 181 CO -0.01 0.09 -0.03 1.23 -1.72 0.00 0.00 179.24 178.80 1smy h GLY 182 N -0.17 -0.09 -0.30 2.75 0.00 -1.83 -3.30 103.07 100.13 1smy h GLY 182 Ca -0.01 0.03 0.23 0.00 0.00 0.00 0.00 47.33 47.59 1smy h GLY 182 CO 0.01 -0.03 0.34 -2.09 0.00 0.00 0.00 176.54 174.77 1smy h GLU 183 N -0.54 0.31 0.00 4.80 4.81 -1.72 0.80 114.58 123.04 1smy h GLU 183 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1smy h GLU 183 Cb 0.47 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1smy h GLU 183 CO 0.01 0.21 0.00 0.39 -0.73 0.00 0.00 179.01 178.89 1smy n GLU 184 N -5.11 0.19 -0.97 1.92 1.02 -1.17 -3.09 120.64 113.42 1smy n GLU 184 Ca 0.22 0.50 0.04 0.00 -0.02 0.00 0.00 57.16 57.89 1smy n GLU 184 Cb 0.68 -1.92 0.05 0.00 -0.02 0.00 0.00 31.44 30.23 1smy n GLU 184 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1smy n VAL 185 N -2.28 0.45 -0.05 2.62 0.31 0.24 -4.90 118.33 114.71 1smy n VAL 185 Ca 0.01 -1.11 -0.09 0.00 -0.01 0.00 0.00 64.34 63.14 1smy n VAL 185 Cb 0.17 0.59 -0.04 0.00 -0.91 0.00 0.00 33.84 33.65 1smy n VAL 185 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1smy n VAL 186 N -0.02 0.55 -2.35 2.52 3.14 0.96 -4.61 118.33 118.53 1smy n VAL 186 Ca 0.07 -0.17 -0.41 0.00 -2.96 0.00 0.00 64.34 60.87 1smy n VAL 186 Cb 0.91 -1.31 -0.03 0.00 -1.06 0.00 0.00 33.84 32.35 1smy n VAL 186 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1smy s LYS 187 N -2.19 3.10 0.00 1.45 -0.14 -1.26 -3.90 119.74 116.80 1smy s LYS 187 Ca -0.14 0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.76 1smy s LYS 187 Cb 0.05 -4.21 0.00 0.00 -1.68 0.00 0.00 37.83 31.99 1smy s LYS 187 CO 0.20 -2.20 0.00 0.41 -0.76 0.00 0.00 175.35 172.99 1smy n GLY 188 N 5.41 1.41 3.55 -3.33 0.00 -1.26 -4.94 105.19 106.03 1smy n GLY 188 Ca 0.12 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1smy n GLY 188 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1smy n GLN 189 N 0.00 0.79 -1.54 1.61 1.13 -1.25 -4.83 117.38 113.29 1smy n GLN 189 Ca 0.00 -0.32 -0.34 0.00 -1.94 0.00 0.00 57.00 54.40 1smy n GLN 189 Cb 0.00 -3.40 -0.07 0.00 0.11 0.00 0.00 30.24 26.87 1smy n GLN 189 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1smy n GLU 190 N 8.83 0.68 -2.73 -1.09 4.71 -1.26 -4.47 120.64 125.31 1smy n GLU 190 Ca 0.43 -0.10 -0.43 0.00 -0.01 0.00 0.00 57.16 57.05 1smy n GLU 190 Cb 0.47 -2.88 -0.03 0.00 -1.01 0.00 0.00 31.44 27.99 1smy n GLU 190 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1smy s LEU 191 N 11.19 4.00 1.31 -4.62 1.43 -0.73 -4.91 118.68 126.36 1smy s LEU 191 Ca 1.09 1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 54.97 1smy s LEU 191 Cb -0.47 -3.42 0.33 0.00 0.03 0.00 0.00 46.19 42.66 1smy s LEU 191 CO 0.31 -0.78 1.04 0.00 0.23 0.00 0.00 176.35 177.15 1smy s ALA 192 N 3.39 0.04 0.71 4.21 0.00 -1.26 -4.32 121.76 124.54 1smy s ALA 192 Ca 0.42 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 51.26 1smy s ALA 192 Cb -0.13 -2.88 0.03 0.00 0.00 0.00 0.00 23.12 20.14 1smy s ALA 192 CO 0.13 -4.08 1.18 -2.14 0.00 0.00 0.00 175.76 170.85 1smy s PRO 193 N -5.33 2.30 -1.62 0.00 0.02 -1.26 -3.10 135.00 126.00 1smy s PRO 193 Ca 0.71 1.65 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1smy s PRO 193 Cb -0.10 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1smy s PRO 193 CO 0.56 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.96 1smy n GLY 194 N 0.13 0.26 3.63 0.52 0.00 -0.65 -4.86 105.19 104.22 1smy n GLY 194 Ca 0.12 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.67 1smy n GLY 194 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1smy n VAL 195 N -3.20 0.48 -2.80 1.61 0.31 -0.95 -4.73 118.33 109.05 1smy n VAL 195 Ca -0.20 -0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 63.52 1smy n VAL 195 Cb 0.63 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 1smy n VAL 195 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1smy s VAL 196 N 5.33 4.43 0.80 2.52 1.01 -1.26 -2.16 120.40 131.07 1smy s VAL 196 Ca 0.97 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1smy s VAL 196 Cb -0.67 -4.86 0.08 0.00 0.00 0.00 0.00 36.38 30.93 1smy s VAL 196 CO 0.49 -1.64 1.14 -0.55 0.00 0.00 0.00 175.10 174.53 1smy s SER 197 N 4.05 3.93 -0.08 3.32 0.15 -0.40 -4.96 113.70 119.71 1smy s SER 197 Ca 0.36 2.09 0.12 0.00 0.70 0.00 0.00 55.95 59.22 1smy s SER 197 Cb -0.04 -2.56 0.23 0.00 -1.71 0.00 0.00 66.02 61.94 1smy s SER 197 CO -0.08 -2.43 1.15 0.54 1.20 0.00 0.00 173.24 173.63 1smy n ARG 198 N -3.48 2.18 0.00 5.44 1.74 -1.26 -3.66 116.66 117.63 1smy n ARG 198 Ca 0.11 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.96 1smy n ARG 198 Cb 0.52 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1smy n ARG 198 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1smy n LEU 199 N -0.85 0.00 -4.64 0.55 4.77 -1.26 -4.93 117.00 110.64 1smy n LEU 199 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 1smy n LEU 199 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1smy n LEU 199 CO 0.03 0.00 1.67 -1.81 -1.33 0.00 0.00 177.39 175.95 1smy s ASP 200 N -0.27 6.18 1.84 -1.43 1.11 -1.26 -4.34 116.67 118.49 1smy s ASP 200 Ca 0.00 2.44 0.00 0.00 0.18 0.00 0.00 52.55 55.17 1smy s ASP 200 Cb 0.00 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.47 1smy s ASP 200 CO 0.00 -1.30 0.00 0.61 1.18 0.00 0.00 175.17 175.66 1smy n GLY 201 N 4.87 2.15 3.13 0.21 0.00 -1.26 -3.85 105.19 110.44 1smy n GLY 201 Ca 0.23 0.23 0.01 0.00 0.00 0.00 0.00 46.02 46.48 1smy n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 202 N 0.00 -0.92 -0.16 1.61 1.01 -1.26 -4.94 120.40 115.74 1smy s VAL 202 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 61.98 61.56 1smy s VAL 202 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 36.38 36.27 1smy s VAL 202 CO 0.00 0.00 1.96 0.00 0.00 0.00 0.00 175.10 177.06 1smy n ALA 203 N 4.21 0.94 -3.26 5.51 0.00 -1.24 -4.83 120.51 121.85 1smy n ALA 203 Ca 0.11 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 1smy n ALA 203 Cb 0.58 -2.54 -0.07 0.00 0.00 0.00 0.00 19.45 17.42 1smy n ALA 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1smy s LEU 204 N 5.01 5.75 -1.36 0.00 1.43 -1.26 -1.27 118.68 126.98 1smy s LEU 204 Ca 0.97 -1.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.32 1smy s LEU 204 Cb -0.70 -2.12 0.11 0.00 0.03 0.00 0.00 46.19 43.51 1smy s LEU 204 CO 0.50 -0.71 2.25 -1.22 0.23 0.00 0.00 176.35 177.40 1smy n TYR 205 N 5.10 2.78 0.45 0.29 4.02 -0.92 -4.84 117.16 124.04 1smy n TYR 205 Ca -0.11 -2.86 0.00 0.00 -0.01 0.00 0.00 57.90 54.92 1smy n TYR 205 Cb 0.42 -2.02 0.00 0.00 -0.02 0.00 0.00 39.34 37.71 1smy n TYR 205 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1smy n ARG 206 N 3.17 0.45 -3.99 -0.72 5.12 -1.26 -1.64 116.66 117.79 1smy n ARG 206 Ca 0.55 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 56.38 1smy n ARG 206 Cb 0.30 -1.23 -0.11 0.00 -1.16 0.00 0.00 32.46 30.26 1smy n ARG 206 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1smy s PHE 207 N -0.77 0.28 0.00 -1.55 0.40 -1.26 -4.23 117.98 110.84 1smy s PHE 207 Ca 0.00 -0.57 0.00 0.00 -0.60 0.00 0.00 56.93 55.76 1smy s PHE 207 Cb 0.00 -0.20 0.00 0.00 0.51 0.00 0.00 43.02 43.33 1smy s PHE 207 CO 0.00 -0.20 0.00 -2.30 0.70 0.00 0.00 175.22 173.42 1smy n PRO 208 N 1.50 0.00 0.00 0.24 -0.02 -1.26 -4.46 135.00 131.00 1smy n PRO 208 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1smy n PRO 208 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 1smy n PRO 208 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1smy n ARG 209 N 0.00 0.00 -2.68 -0.52 5.12 -1.26 -4.26 116.66 113.07 1smy n ARG 209 Ca 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 1smy n ARG 209 Cb 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.36 1smy n ARG 209 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1smy s ARG 210 N 0.00 2.23 0.13 5.56 0.52 -1.18 -1.77 118.95 124.44 1smy s ARG 210 Ca 0.00 -1.00 0.03 0.00 -0.52 0.00 0.00 55.73 54.24 1smy s ARG 210 Cb 0.00 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 1smy s ARG 210 CO 0.00 -0.96 -0.08 0.08 0.02 0.00 0.00 175.30 174.35 1smy s VAL 211 N -2.87 0.98 -0.17 3.52 1.01 -1.26 -3.59 120.40 118.03 1smy s VAL 211 Ca 0.61 -2.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.53 1smy s VAL 211 Cb -0.08 -1.80 0.07 0.00 0.00 0.00 0.00 36.38 34.57 1smy s VAL 211 CO 0.40 -0.78 0.14 -0.60 0.00 0.00 0.00 175.10 174.26 1smy s ARG 212 N -3.79 0.10 0.41 2.72 3.52 -1.23 -4.22 118.95 116.46 1smy s ARG 212 Ca 0.15 0.05 -0.15 0.00 -0.13 0.00 0.00 55.73 55.65 1smy s ARG 212 Cb 0.04 -1.53 -0.08 0.00 -1.56 0.00 0.00 34.95 31.81 1smy s ARG 212 CO -0.01 -0.64 0.85 0.54 -0.81 0.00 0.00 175.30 175.22 1smy s VAL 213 N 2.21 4.61 0.00 7.11 0.11 -1.26 -3.78 120.40 129.40 1smy s VAL 213 Ca 0.04 1.04 0.00 0.00 -2.93 0.00 0.00 61.98 60.13 1smy s VAL 213 Cb -0.16 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1smy s VAL 213 CO -0.10 -0.41 0.00 -0.62 -3.33 0.00 0.00 175.10 170.64 1smy n GLU 214 N -0.94 0.00 -4.18 1.54 1.02 0.77 -4.98 120.64 113.88 1smy n GLU 214 Ca 0.05 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.93 1smy n GLU 214 Cb 0.54 -0.03 -0.07 0.00 -0.02 0.00 0.00 31.44 31.86 1smy n GLU 214 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1smy s TYR 215 N 0.00 2.92 0.18 -0.32 1.51 -1.26 -4.95 117.35 115.44 1smy s TYR 215 Ca 0.00 -0.11 0.10 0.00 -1.01 0.00 0.00 57.07 56.05 1smy s TYR 215 Cb 0.00 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 1smy s TYR 215 CO 0.00 0.53 -0.21 0.08 -1.11 0.00 0.00 175.55 174.83 1smy s VAL 216 N -1.82 2.13 0.00 0.71 1.01 -1.26 -4.23 120.40 116.94 1smy s VAL 216 Ca 0.29 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1smy s VAL 216 Cb -0.09 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1smy s VAL 216 CO 0.20 -0.20 0.00 2.29 0.00 0.00 0.00 175.10 177.39 1smy n LYS 217 N 0.27 0.00 -2.75 2.72 0.00 -1.26 -4.72 118.16 112.41 1smy n LYS 217 Ca -0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.16 1smy n LYS 217 Cb 0.56 0.00 0.08 0.00 -0.00 0.00 0.00 35.03 35.68 1smy n LYS 217 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1smy n LYS 218 N 0.00 1.51 0.00 -1.58 5.02 -1.24 -4.04 118.16 117.83 1smy n LYS 218 Ca 0.00 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 1smy n LYS 218 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1smy n LYS 218 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1smy n GLU 219 N -0.88 0.00 -3.79 1.97 0.00 -1.26 -4.63 120.64 112.05 1smy n GLU 219 Ca -0.02 0.22 -0.14 0.00 0.00 0.00 0.00 57.16 57.22 1smy n GLU 219 Cb 0.83 -0.71 -0.15 0.00 0.00 0.00 0.00 31.44 31.41 1smy n GLU 219 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1smy s ARG 220 N -0.97 -0.02 -0.23 3.44 1.04 -1.26 -3.77 118.95 117.19 1smy s ARG 220 Ca 0.00 0.16 -0.04 0.00 -1.04 0.00 0.00 55.73 54.80 1smy s ARG 220 Cb 0.00 -0.18 -0.01 0.00 -2.04 0.00 0.00 34.95 32.72 1smy s ARG 220 CO 0.00 -0.12 -0.02 0.00 -0.04 0.00 0.00 175.30 175.11 1smy s ALA 221 N 0.80 2.88 -0.28 7.88 0.00 -1.26 -5.00 121.76 126.78 1smy s ALA 221 Ca -0.07 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.52 1smy s ALA 221 Cb -0.09 -1.77 0.09 0.00 0.00 0.00 0.00 23.12 21.35 1smy s ALA 221 CO -0.02 -0.43 0.81 0.20 0.00 0.00 0.00 175.76 176.31 1smy s GLY 222 N 1.49 -0.41 -0.35 0.00 0.00 -1.26 0.50 107.32 107.29 1smy s GLY 222 Ca 0.06 2.43 0.00 0.00 0.00 0.00 0.00 44.72 47.21 1smy s GLY 222 CO -0.02 2.07 0.00 -0.10 0.00 0.00 0.00 173.10 175.05 1smy n LEU 223 N 3.18 0.14 0.00 0.66 -0.00 0.30 -4.88 117.00 116.40 1smy n LEU 223 Ca -0.16 0.08 -0.10 0.00 -0.00 0.00 0.00 56.01 55.83 1smy n LEU 223 Cb 0.57 -1.62 0.06 0.00 -0.00 0.00 0.00 43.42 42.42 1smy n LEU 223 CO 0.01 -0.55 0.27 0.54 -0.00 0.00 0.00 177.39 177.66 1smy n ARG 224 N -1.40 -0.03 -1.87 1.96 5.12 -1.26 -4.73 116.66 114.45 1smy n ARG 224 Ca -0.03 -0.93 -0.30 0.00 -1.93 0.00 0.00 57.85 54.67 1smy n ARG 224 Cb 0.30 -0.37 0.16 0.00 -1.16 0.00 0.00 32.46 31.38 1smy n ARG 224 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 1smy s LEU 225 N 0.00 2.53 0.00 0.55 2.34 -1.26 -4.73 118.68 118.11 1smy s LEU 225 Ca 0.27 0.46 0.00 0.00 0.06 0.00 0.00 54.13 54.92 1smy s LEU 225 Cb -0.01 -2.63 0.00 0.00 -0.56 0.00 0.00 46.19 42.99 1smy s LEU 225 CO 0.18 -2.55 0.53 -0.81 -1.06 0.00 0.00 176.35 172.64 1smy n PRO 226 N -3.68 0.80 0.47 1.48 -0.05 -1.26 -4.17 135.00 128.58 1smy n PRO 226 Ca 0.13 0.00 -0.18 0.00 -0.05 0.00 0.00 63.50 63.39 1smy n PRO 226 Cb 0.60 -1.27 -0.09 0.00 -0.05 0.00 0.00 33.50 32.69 1smy n PRO 226 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 175.50 176.82 1smy h LEU 227 N 0.14 -1.01 0.00 1.53 -0.00 -1.99 -2.80 115.31 111.18 1smy h LEU 227 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1smy h LEU 227 Cb 0.27 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1smy h LEU 227 CO 0.00 -0.72 0.00 0.00 -0.00 0.00 0.00 178.44 177.72 1smy n ALA 228 N -2.59 2.02 -0.30 0.17 0.00 -1.26 -3.90 120.51 114.64 1smy n ALA 228 Ca -0.15 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.32 1smy n ALA 228 Cb 0.47 -1.36 0.24 0.00 0.00 0.00 0.00 19.45 18.80 1smy n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smy h ALA 229 N 2.79 1.06 -0.03 0.00 0.00 -1.72 0.25 119.26 121.62 1smy h ALA 229 Ca 0.00 0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1smy h ALA 229 Cb 0.36 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1smy h ALA 229 CO 0.00 -0.50 -0.83 0.11 0.00 0.00 0.00 179.25 178.03 1smy h TRP 230 N 0.09 0.46 -0.38 0.00 -0.00 -1.73 -3.31 115.95 111.08 1smy h TRP 230 Ca 0.52 -0.23 0.08 0.00 -0.00 0.00 0.00 58.89 59.26 1smy h TRP 230 Cb 1.03 -0.06 -0.09 0.00 -0.00 0.00 0.00 29.16 30.04 1smy h TRP 230 CO -0.42 1.02 -0.32 -0.24 -0.00 0.00 0.00 178.44 178.48 1smy h VAL 231 N 0.20 0.24 -2.53 0.12 3.04 -0.71 -3.02 116.25 113.59 1smy h VAL 231 Ca -0.05 0.00 -0.76 0.00 -1.01 0.00 0.00 66.70 64.88 1smy h VAL 231 Cb 1.44 0.24 -0.31 0.00 -2.01 0.00 0.00 31.29 30.65 1smy h VAL 231 CO 0.14 0.00 0.54 -0.62 -1.01 0.00 0.00 177.57 176.61 1smy n GLU 232 N -5.41 4.42 0.00 4.17 4.71 -1.16 -4.77 120.64 122.59 1smy n GLU 232 Ca 0.01 -4.64 0.00 0.00 -0.01 0.00 0.00 57.16 52.51 1smy n GLU 232 Cb 0.33 -2.44 0.00 0.00 -1.01 0.00 0.00 31.44 28.33 1smy n GLU 232 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1smy n LYS 233 N 0.63 0.00 0.00 3.49 0.00 -1.14 -3.45 118.16 117.69 1smy n LYS 233 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 1smy n LYS 233 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.35 1smy n LYS 233 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1smy n GLU 234 N 0.00 0.00 0.03 -1.58 0.00 -1.26 0.69 120.64 118.52 1smy n GLU 234 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.96 1smy n GLU 234 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.30 1smy n GLU 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1smy h ALA 235 N 0.00 0.01 0.00 -1.84 0.00 -1.63 -0.79 119.26 115.01 1smy h ALA 235 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 54.91 53.96 1smy h ALA 235 Cb 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1smy h ALA 235 CO 0.00 0.53 -0.55 1.88 0.00 0.00 0.00 179.25 181.11 1smy h TYR 236 N -0.38 0.00 0.00 0.00 0.99 0.18 -3.32 116.97 114.45 1smy h TYR 236 Ca -0.20 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.52 1smy h TYR 236 Cb 1.66 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 39.39 1smy h TYR 236 CO 0.17 0.55 -0.11 1.57 -0.00 0.00 0.00 178.16 180.34 1smy h LYS 237 N 0.00 0.00 0.00 4.88 -0.00 -0.27 -3.50 116.57 117.68 1smy h LYS 237 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.64 1smy h LYS 237 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.23 1smy h LYS 237 CO 0.07 0.45 0.00 -0.35 -0.00 0.00 0.00 179.45 179.62 1smy n PRO 238 N -4.68 0.44 -2.96 0.07 -0.04 -0.31 -5.03 135.00 122.48 1smy n PRO 238 Ca -0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 1smy n PRO 238 Cb 0.25 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.71 1smy n PRO 238 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1smy n GLY 239 N 0.93 4.92 0.25 0.55 0.00 -1.25 -3.70 105.19 106.90 1smy n GLY 239 Ca 0.00 -2.56 0.05 0.00 0.00 0.00 0.00 46.02 43.51 1smy n GLY 239 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1smy n GLU 240 N 1.99 1.85 -0.09 1.61 0.00 -1.15 -4.60 120.64 120.26 1smy n GLU 240 Ca 0.28 -0.67 0.21 0.00 0.00 0.00 0.00 57.16 56.98 1smy n GLU 240 Cb 0.35 -1.10 0.65 0.00 0.00 0.00 0.00 31.44 31.34 1smy n GLU 240 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 1smy h ILE 241 N 1.24 0.69 -0.30 3.84 2.10 -1.82 0.22 117.51 123.48 1smy h ILE 241 Ca 0.00 -0.04 -0.10 0.00 1.08 0.00 0.00 64.86 65.81 1smy h ILE 241 Cb 0.35 0.58 -0.01 0.00 -1.09 0.00 0.00 36.82 36.66 1smy h ILE 241 CO 0.00 0.02 -0.19 -0.07 -1.08 0.00 0.00 178.15 176.83 1smy h LEU 242 N 0.10 0.69 -1.35 2.19 3.38 -1.92 -2.88 115.31 115.53 1smy h LEU 242 Ca 0.33 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1smy h LEU 242 Cb 1.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1smy h LEU 242 CO -0.04 0.97 -0.23 0.00 0.09 0.00 0.00 178.44 179.24 1smy h ALA 243 N 0.74 1.11 -1.18 1.53 0.00 -1.02 -3.08 119.26 117.36 1smy h ALA 243 Ca 0.06 -0.21 0.37 0.00 0.00 0.00 0.00 54.91 55.13 1smy h ALA 243 Cb 0.73 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 1smy h ALA 243 CO 0.05 0.28 0.75 1.49 0.00 0.00 0.00 179.25 181.83 1smy h GLU 244 N 0.00 0.20 -5.68 0.00 4.81 -0.51 -3.31 114.58 110.09 1smy h GLU 244 Ca -0.00 -0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 58.88 1smy h GLU 244 Cb 0.64 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1smy h GLU 244 CO 0.03 0.13 1.02 -0.51 -0.73 0.00 0.00 179.01 178.95 1smy s LEU 245 N -9.67 3.20 0.00 1.64 1.02 -1.16 -4.35 118.68 109.35 1smy s LEU 245 Ca -0.08 0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.34 1smy s LEU 245 Cb 0.29 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.96 1smy s LEU 245 CO 0.81 -2.93 0.00 -2.65 0.02 0.00 0.00 176.35 171.60 1smy n PRO 246 N 8.99 0.00 0.04 1.29 -0.01 -1.25 -4.06 135.00 140.00 1smy n PRO 246 Ca 0.35 0.00 0.11 0.00 -0.01 0.00 0.00 63.50 63.95 1smy n PRO 246 Cb 0.50 0.00 -0.04 0.00 -0.01 0.00 0.00 33.50 33.95 1smy n PRO 246 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 1smy n GLU 247 N 0.00 0.49 0.24 -0.52 0.00 -1.26 -4.43 120.64 115.16 1smy n GLU 247 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 57.16 57.29 1smy n GLU 247 Cb 0.00 -1.65 0.36 0.00 0.00 0.00 0.00 31.44 30.15 1smy n GLU 247 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1smy h PRO 248 N 0.00 0.00 0.00 3.44 0.14 -1.99 -3.31 132.00 130.28 1smy h PRO 248 Ca 0.00 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.14 1smy h PRO 248 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.03 1smy h PRO 248 CO 0.00 0.00 0.00 0.66 0.14 0.00 0.00 178.00 178.80 1smy n TYR 249 N -3.07 0.00 -0.07 1.56 0.53 -1.26 -2.92 117.16 111.93 1smy n TYR 249 Ca 0.03 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.83 1smy n TYR 249 Cb 0.44 0.00 -0.08 0.00 -1.03 0.00 0.00 39.34 38.68 1smy n TYR 249 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1smy n LEU 250 N -0.98 1.61 0.19 7.72 7.99 -1.25 -5.14 117.00 127.14 1smy n LEU 250 Ca 0.06 -0.04 0.06 0.00 -0.01 0.00 0.00 56.01 56.07 1smy n LEU 250 Cb 0.03 -0.14 0.37 0.00 -0.11 0.00 0.00 43.42 43.56 1smy n LEU 250 CO 0.04 0.53 0.71 2.19 -1.51 0.00 0.00 177.39 179.35 1smy h PHE 251 N 0.00 0.00 -0.38 -1.77 -0.00 -1.75 -3.55 116.94 109.49 1smy h PHE 251 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.65 1smy h PHE 251 Cb 1.60 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.55 1smy h PHE 251 CO 0.01 0.36 -0.09 0.41 -0.00 0.00 0.00 178.31 179.00 1smy n GLY 364 N 0.05 -3.26 3.05 6.09 0.00 -1.26 -5.19 105.19 104.67 1smy n GLY 364 Ca -0.01 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1smy n GLY 364 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1smy s ASP 365 N -1.78 0.52 -0.41 1.61 3.84 -1.26 -4.87 116.67 114.31 1smy s ASP 365 Ca 0.00 -0.75 0.01 0.00 -0.00 0.00 0.00 52.55 51.81 1smy s ASP 365 Cb 0.00 0.13 0.24 0.00 -1.38 0.00 0.00 42.92 41.91 1smy s ASP 365 CO 0.00 -0.42 1.03 1.17 -0.00 0.00 0.00 175.17 176.95 1smy n LYS 366 N 0.83 0.39 -0.69 2.11 3.00 -1.26 -0.54 118.16 122.01 1smy n LYS 366 Ca -0.19 -1.23 -0.31 0.00 -0.00 0.00 0.00 58.31 56.59 1smy n LYS 366 Cb 0.58 -0.75 0.28 0.00 0.00 0.00 0.00 35.03 35.13 1smy n LYS 366 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1smy s ILE 367 N 0.54 1.28 1.10 3.15 -4.36 0.18 -4.48 121.20 118.61 1smy s ILE 367 Ca 0.28 0.00 -0.14 0.00 -0.26 0.00 0.00 60.65 60.53 1smy s ILE 367 Cb 0.18 -2.27 0.19 0.00 1.25 0.00 0.00 42.46 41.81 1smy s ILE 367 CO -0.14 0.00 0.73 0.55 0.24 0.00 0.00 174.94 176.32 1smy n VAL 368 N -5.35 0.00 -0.34 8.37 3.14 -1.26 -4.73 118.33 118.16 1smy n VAL 368 Ca 0.15 -0.31 0.18 0.00 -2.96 0.00 0.00 64.34 61.39 1smy n VAL 368 Cb 0.60 -0.86 0.40 0.00 -1.06 0.00 0.00 33.84 32.93 1smy n VAL 368 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1smy h ALA 369 N -2.29 1.89 0.00 1.55 0.00 -1.90 -3.38 119.26 115.13 1smy h ALA 369 Ca -0.55 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1smy h ALA 369 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1smy h ALA 369 CO 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1smy n ALA 370 N -2.37 0.00 0.00 0.00 0.00 -1.25 -4.18 120.51 112.72 1smy n ALA 370 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1smy n ALA 370 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1smy n ALA 370 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1smy n ILE 371 N 0.00 0.00 -1.81 0.00 -6.64 -1.26 -5.01 119.36 104.63 1smy n ILE 371 Ca 0.00 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.68 1smy n ILE 371 Cb 0.00 -0.44 0.17 0.00 -1.44 0.00 0.00 39.64 37.92 1smy n ILE 371 CO 0.00 0.00 0.00 1.51 -1.77 0.00 0.00 176.55 176.29 1smy s ASP 372 N -3.24 3.25 0.28 7.28 1.47 -1.26 -5.06 116.67 119.40 1smy s ASP 372 Ca 0.00 0.47 0.00 0.00 1.18 0.00 0.00 52.55 54.20 1smy s ASP 372 Cb 0.00 -0.68 0.00 0.00 -0.34 0.00 0.00 42.92 41.90 1smy s ASP 372 CO 0.00 -2.66 0.00 0.09 0.68 0.00 0.00 175.17 173.28 1smy n PRO 373 N -3.76 0.00 -4.58 2.11 -0.07 -1.26 -4.27 135.00 123.17 1smy n PRO 373 Ca 0.13 0.00 -0.27 0.00 -0.07 0.00 0.00 63.50 63.29 1smy n PRO 373 Cb 0.60 0.00 -0.09 0.00 -0.07 0.00 0.00 33.50 33.94 1smy n PRO 373 CO 0.00 0.00 0.00 -1.21 -0.07 0.00 0.00 175.50 174.22 1smy s GLU 374 N -1.89 1.93 -0.87 0.58 2.02 -1.26 -3.63 118.70 115.58 1smy s GLU 374 Ca 0.00 -2.15 -0.25 0.00 0.02 0.00 0.00 54.97 52.59 1smy s GLU 374 Cb 0.00 -1.09 -0.05 0.00 0.10 0.00 0.00 34.13 33.09 1smy s GLU 374 CO 0.00 -0.30 1.96 -1.21 0.02 0.00 0.00 175.26 175.73 1smy s GLU 375 N -3.80 2.52 0.30 1.61 2.02 -0.46 -4.84 118.70 116.04 1smy s GLU 375 Ca 0.24 -0.18 0.05 0.00 0.02 0.00 0.00 54.97 55.10 1smy s GLU 375 Cb 0.05 -5.00 -0.03 0.00 0.10 0.00 0.00 34.13 29.25 1smy s GLU 375 CO 0.12 -3.38 0.23 -1.83 0.02 0.00 0.00 175.26 170.43 1smy s GLU 376 N 7.10 1.60 -0.18 1.61 1.03 -1.26 0.07 118.70 128.67 1smy s GLU 376 Ca 0.71 -1.91 -0.03 0.00 0.03 0.00 0.00 54.97 53.76 1smy s GLU 376 Cb -0.07 0.28 -0.02 0.00 -0.80 0.00 0.00 34.13 33.52 1smy s GLU 376 CO 0.01 -0.57 -0.06 0.14 -1.33 0.00 0.00 175.26 173.46 1smy s VAL 377 N -3.64 3.47 -0.62 1.83 -7.23 0.19 -4.83 120.40 109.57 1smy s VAL 377 Ca 0.40 -0.48 -0.02 0.00 -1.81 0.00 0.00 61.98 60.06 1smy s VAL 377 Cb 0.04 -2.54 0.39 0.00 0.56 0.00 0.00 36.38 34.83 1smy s VAL 377 CO 0.23 0.46 2.05 -0.38 -0.31 0.00 0.00 175.10 177.15 1smy n ILE 378 N 4.18 3.47 -0.27 -0.62 -0.00 -1.26 -4.17 119.36 120.70 1smy n ILE 378 Ca -0.18 -2.82 -0.05 0.00 -0.00 0.00 0.00 62.75 59.70 1smy n ILE 378 Cb 0.52 -1.21 0.06 0.00 -0.00 0.00 0.00 39.64 39.01 1smy n ILE 378 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1smy h ALA 379 N 2.02 0.94 -1.92 -1.39 0.00 -1.93 -3.44 119.26 113.54 1smy h ALA 379 Ca 0.54 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 1smy h ALA 379 Cb 0.76 -0.30 -0.20 0.00 0.00 0.00 0.00 17.79 18.05 1smy h ALA 379 CO 1.42 0.40 0.25 -1.83 0.00 0.00 0.00 179.25 179.49 1smy s GLU 380 N -6.00 0.96 -0.41 0.00 -1.05 -1.26 -5.06 118.70 105.88 1smy s GLU 380 Ca -0.13 0.29 -0.27 0.00 -0.15 0.00 0.00 54.97 54.71 1smy s GLU 380 Cb 0.15 0.45 -0.27 0.00 -0.44 0.00 0.00 34.13 34.02 1smy s GLU 380 CO 0.79 -0.29 1.77 0.00 0.95 0.00 0.00 175.26 178.47 1smy n ALA 381 N 1.00 1.94 -0.15 -0.84 0.00 -1.26 -4.33 120.51 116.86 1smy n ALA 381 Ca -0.17 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1smy n ALA 381 Cb 0.57 -3.68 0.00 0.00 0.00 0.00 0.00 19.45 16.34 1smy n ALA 381 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1smy n GLU 382 N 7.57 0.00 -1.97 0.00 -0.00 -1.26 -4.86 120.64 120.12 1smy n GLU 382 Ca 0.48 0.00 -0.25 0.00 -0.00 0.00 0.00 57.16 57.39 1smy n GLU 382 Cb 0.42 -0.14 -0.06 0.00 -0.00 0.00 0.00 31.44 31.66 1smy n GLU 382 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1smy s GLY 383 N -2.80 -0.03 0.49 -1.84 0.00 -1.26 -4.89 107.32 97.00 1smy s GLY 383 Ca 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.10 1smy s GLY 383 CO 0.00 3.65 0.04 0.14 0.00 0.00 0.00 173.10 176.93 1smy s VAL 384 N 11.39 0.91 -0.33 1.40 1.01 -1.26 0.55 120.40 134.07 1smy s VAL 384 Ca 0.73 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.65 1smy s VAL 384 Cb -0.05 -2.14 0.19 0.00 0.00 0.00 0.00 36.38 34.37 1smy s VAL 384 CO 0.06 0.00 0.94 0.54 0.00 0.00 0.00 175.10 176.64 1smy s VAL 385 N -2.98 -0.42 -0.44 2.92 0.11 0.11 -4.87 120.40 114.85 1smy s VAL 385 Ca 0.08 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.94 1smy s VAL 385 Cb 0.01 -0.10 0.03 0.00 -1.53 0.00 0.00 36.38 34.78 1smy s VAL 385 CO 0.05 0.00 0.57 -2.28 -3.33 0.00 0.00 175.10 170.11 1smy s HIS 386 N 2.19 3.10 0.00 1.54 5.65 -1.26 -1.36 115.29 125.15 1smy s HIS 386 Ca 0.17 -0.21 0.00 0.00 0.25 0.00 0.00 55.06 55.27 1smy s HIS 386 Cb 0.00 -3.19 0.00 0.00 -1.18 0.00 0.00 32.58 28.21 1smy s HIS 386 CO -0.16 -0.82 0.00 1.28 -0.65 0.00 0.00 174.74 174.40 1smy n LEU 387 N 6.01 0.00 0.00 8.88 4.32 -1.26 -5.03 117.00 129.92 1smy n LEU 387 Ca -0.04 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.88 1smy n LEU 387 Cb 0.47 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.32 1smy n LEU 387 CO 0.51 0.00 0.19 1.57 -1.22 0.00 0.00 177.39 178.44 1smy n HIS 388 N 0.00 -3.78 -3.51 -1.77 -0.00 -1.26 -4.93 115.22 99.97 1smy n HIS 388 Ca 0.00 -0.32 -0.28 0.00 -0.00 0.00 0.00 57.72 57.12 1smy n HIS 388 Cb 0.00 -0.23 -0.11 0.00 -0.00 0.00 0.00 29.99 29.65 1smy n HIS 388 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1smy s GLU 389 N -3.50 1.03 0.32 1.57 1.03 -1.26 -4.56 118.70 113.33 1smy s GLU 389 Ca 0.17 -2.02 -0.29 0.00 0.03 0.00 0.00 54.97 52.87 1smy s GLU 389 Cb -0.01 -1.74 -0.10 0.00 -0.80 0.00 0.00 34.13 31.49 1smy s GLU 389 CO 0.12 -1.30 1.24 -2.14 -1.33 0.00 0.00 175.26 171.86 1smy s PRO 390 N 0.21 4.42 -0.66 -4.83 0.02 -1.26 -3.44 135.00 129.46 1smy s PRO 390 Ca 0.26 2.08 0.06 0.00 0.02 0.00 0.00 61.00 63.42 1smy s PRO 390 Cb -0.08 -3.08 0.24 0.00 0.02 0.00 0.00 34.50 31.60 1smy s PRO 390 CO -0.11 -0.09 0.73 0.00 -0.33 0.00 0.00 177.00 177.20 1smy n ALA 391 N 0.86 4.02 -2.62 -1.55 0.00 -0.84 -0.16 120.51 120.22 1smy n ALA 391 Ca -0.00 -4.75 -0.42 0.00 0.00 0.00 0.00 53.44 48.27 1smy n ALA 391 Cb 0.43 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 1smy n ALA 391 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1smy s SER 392 N -2.35 6.76 -0.15 0.00 0.15 -1.25 -3.30 113.70 113.56 1smy s SER 392 Ca 0.38 0.82 -0.27 0.00 0.70 0.00 0.00 55.95 57.58 1smy s SER 392 Cb 0.13 -2.45 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 1smy s SER 392 CO -0.03 -0.67 0.93 -0.63 1.20 0.00 0.00 173.24 174.04 1smy s ILE 393 N 3.12 4.82 -0.33 6.45 1.01 0.15 -3.56 121.20 132.87 1smy s ILE 393 Ca 0.36 1.85 -0.03 0.00 0.00 0.00 0.00 60.65 62.83 1smy s ILE 393 Cb -0.14 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.16 1smy s ILE 393 CO 0.12 -0.01 0.06 -0.76 0.00 0.00 0.00 174.94 174.36 1smy s LEU 394 N 2.21 4.21 -1.03 2.97 1.43 -1.24 -2.44 118.68 124.80 1smy s LEU 394 Ca 0.43 -1.34 -0.24 0.00 -1.03 0.00 0.00 54.13 51.95 1smy s LEU 394 Cb -0.17 -1.78 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 1smy s LEU 394 CO 0.14 -0.32 1.96 -0.69 0.23 0.00 0.00 176.35 177.67 1smy s VAL 395 N 1.28 3.46 0.02 -1.59 1.01 -0.96 -4.34 120.40 119.28 1smy s VAL 395 Ca -0.02 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1smy s VAL 395 Cb -0.20 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.00 1smy s VAL 395 CO -0.00 -0.91 0.44 -0.69 0.00 0.00 0.00 175.10 173.94 1smy s VAL 396 N 10.88 0.05 -0.23 2.92 1.01 -1.26 -4.14 120.40 129.63 1smy s VAL 396 Ca 0.70 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 1smy s VAL 396 Cb -0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1smy s VAL 396 CO 0.06 -0.21 0.54 -1.59 0.00 0.00 0.00 175.10 173.90 1smy s LYS 397 N -2.03 4.14 -0.23 2.72 -2.85 -1.23 -3.12 119.74 117.15 1smy s LYS 397 Ca -0.08 0.41 -0.12 0.00 -1.00 0.00 0.00 55.97 55.18 1smy s LYS 397 Cb -0.02 -3.60 -0.05 0.00 -2.06 0.00 0.00 37.83 32.10 1smy s LYS 397 CO 0.01 -0.25 0.22 0.00 0.10 0.00 0.00 175.35 175.43 1smy s ALA 398 N 1.96 3.60 0.10 0.59 0.00 -1.26 -2.65 121.76 124.10 1smy s ALA 398 Ca 0.24 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1smy s ALA 398 Cb -0.15 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1smy s ALA 398 CO 0.09 -0.20 0.05 1.03 0.00 0.00 0.00 175.76 176.73 1smy s ARG 399 N 1.07 2.71 0.00 0.00 0.52 -1.21 -5.01 118.95 117.03 1smy s ARG 399 Ca 0.10 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1smy s ARG 399 Cb -0.14 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.72 1smy s ARG 399 CO 0.05 0.54 0.00 0.28 0.02 0.00 0.00 175.30 176.19 1smy n VAL 400 N 0.38 0.00 -2.68 3.52 0.31 -1.25 -1.24 118.33 117.36 1smy n VAL 400 Ca -0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.98 1smy n VAL 400 Cb 0.52 -0.46 -0.01 0.00 -0.91 0.00 0.00 33.84 32.98 1smy n VAL 400 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1smy n TYR 401 N -1.52 3.34 -2.01 3.52 4.02 -1.26 -4.52 117.16 118.73 1smy n TYR 401 Ca 0.00 -3.43 -0.35 0.00 -0.01 0.00 0.00 57.90 54.11 1smy n TYR 401 Cb 0.27 -0.26 0.03 0.00 -0.02 0.00 0.00 39.34 39.36 1smy n TYR 401 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1smy s PRO 402 N -3.44 3.01 0.07 -0.72 0.02 -1.26 -4.83 135.00 127.85 1smy s PRO 402 Ca 0.47 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1smy s PRO 402 Cb 0.36 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.93 1smy s PRO 402 CO -0.15 -1.14 0.03 1.19 -0.33 0.00 0.00 177.00 176.60 1smy n PHE 403 N -1.72 -0.64 -3.98 6.54 3.01 -1.23 -2.88 117.46 116.55 1smy n PHE 403 Ca 0.12 -0.33 -0.34 0.00 1.01 0.00 0.00 57.45 57.91 1smy n PHE 403 Cb 0.50 -0.05 -0.15 0.00 -0.01 0.00 0.00 39.48 39.77 1smy n PHE 403 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1smy s GLU 404 N -2.28 3.23 -0.29 -1.08 -1.05 -1.26 -4.57 118.70 111.41 1smy s GLU 404 Ca 0.02 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.14 1smy s GLU 404 Cb -0.00 -2.86 0.09 0.00 -0.44 0.00 0.00 34.13 30.92 1smy s GLU 404 CO 0.01 -0.21 0.06 0.34 0.95 0.00 0.00 175.26 176.42 1smy s ASP 405 N 1.41 4.05 0.00 0.83 -1.08 -1.26 -5.05 116.67 115.57 1smy s ASP 405 Ca 0.05 -1.59 0.01 0.00 -0.52 0.00 0.00 52.55 50.51 1smy s ASP 405 Cb -0.14 -1.04 0.07 0.00 -1.46 0.00 0.00 42.92 40.35 1smy s ASP 405 CO -0.07 -0.37 0.35 -0.90 0.52 0.00 0.00 175.17 174.71 1smy n ASP 406 N 4.72 0.00 0.05 -0.34 5.75 -1.26 -4.22 116.55 121.25 1smy n ASP 406 Ca -0.03 -0.10 -0.05 0.00 -0.01 0.00 0.00 54.79 54.60 1smy n ASP 406 Cb 0.43 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 1smy n ASP 406 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1smy h VAL 407 N 0.00 0.00 -3.84 2.12 2.07 -2.04 -3.44 116.25 111.12 1smy h VAL 407 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1smy h VAL 407 Cb 0.00 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1smy h VAL 407 CO 0.00 0.00 0.01 -0.62 0.02 0.00 0.00 177.57 176.98 1smy n GLU 408 N -3.33 0.61 -2.25 1.57 1.02 -1.26 -5.03 120.64 111.98 1smy n GLU 408 Ca -0.03 -0.48 -0.42 0.00 -0.02 0.00 0.00 57.16 56.21 1smy n GLU 408 Cb 0.13 -0.09 -0.03 0.00 -0.02 0.00 0.00 31.44 31.43 1smy n GLU 408 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1smy s VAL 409 N -0.14 3.76 -0.09 2.62 1.01 -1.26 -4.78 120.40 121.52 1smy s VAL 409 Ca 0.11 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.20 1smy s VAL 409 Cb -0.01 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1smy s VAL 409 CO 0.07 0.00 0.26 -1.54 0.00 0.00 0.00 175.10 173.90 1smy n SER 410 N 5.28 0.04 -4.70 3.32 3.41 -1.26 -4.86 113.62 114.84 1smy n SER 410 Ca 0.13 0.03 -0.39 0.00 -0.26 0.00 0.00 58.87 58.37 1smy n SER 410 Cb 0.44 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 1smy n SER 410 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1smy s THR 411 N 0.86 5.07 0.00 6.66 -1.32 -1.26 -4.78 115.64 120.87 1smy s THR 411 Ca 0.13 1.24 0.00 0.00 -1.21 0.00 0.00 61.69 61.85 1smy s THR 411 Cb -0.13 -3.95 0.00 0.00 -1.51 0.00 0.00 72.50 66.91 1smy s THR 411 CO 0.05 0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 1smy n GLY 412 N 3.37 1.39 3.09 6.08 0.00 -1.26 -4.86 105.19 112.99 1smy n GLY 412 Ca -0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 1smy n GLY 412 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1smy n ASP 413 N 3.48 -1.74 -1.77 1.61 2.03 -1.26 -2.53 116.55 116.38 1smy n ASP 413 Ca 0.00 -2.13 0.00 0.00 0.52 0.00 0.00 54.79 53.18 1smy n ASP 413 Cb 0.00 2.87 0.00 0.00 -0.72 0.00 0.00 41.12 43.27 1smy n ASP 413 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1smy n ARG 414 N -0.48 1.58 0.04 -0.67 5.12 -0.72 -3.57 116.66 117.95 1smy n ARG 414 Ca -0.06 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.84 1smy n ARG 414 Cb 0.48 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.77 1smy n ARG 414 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1smy h VAL 415 N 0.32 0.00 0.00 1.55 2.07 -1.79 -3.37 116.25 115.03 1smy h VAL 415 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1smy h VAL 415 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1smy h VAL 415 CO 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.51 1smy n ALA 416 N -2.35 2.30 -1.00 1.67 0.00 -1.26 -4.73 120.51 115.14 1smy n ALA 416 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1smy n ALA 416 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1smy n ALA 416 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1smy n PRO 417 N -1.88 0.00 -1.71 0.00 -0.02 -1.26 -4.80 135.00 125.33 1smy n PRO 417 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1smy n PRO 417 Cb 0.04 -0.24 -0.01 0.00 -0.02 0.00 0.00 33.50 33.27 1smy n PRO 417 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 418 N 0.00 0.87 2.46 -1.23 0.00 -1.26 -4.92 105.19 101.12 1smy n GLY 418 Ca 0.00 0.41 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 1smy n GLY 418 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1smy s ASP 419 N 0.10 2.85 0.24 1.61 1.01 -1.26 -1.76 116.67 119.46 1smy s ASP 419 Ca 0.62 -2.27 0.13 0.00 0.71 0.00 0.00 52.55 51.73 1smy s ASP 419 Cb -0.57 -0.41 0.11 0.00 1.01 0.00 0.00 42.92 43.05 1smy s ASP 419 CO 0.55 -0.30 1.46 0.58 0.21 0.00 0.00 175.17 177.67 1smy h VAL 420 N 4.99 1.20 -2.77 -1.27 2.07 -1.90 -3.47 116.25 115.11 1smy h VAL 420 Ca 0.08 -2.49 -0.59 0.00 0.82 0.00 0.00 66.70 64.51 1smy h VAL 420 Cb 0.96 2.46 0.15 0.00 -1.52 0.00 0.00 31.29 33.34 1smy h VAL 420 CO 0.28 0.64 -0.19 0.00 0.02 0.00 0.00 177.57 178.32 1smy n LEU 421 N -3.37 1.23 -4.80 2.57 -0.00 -1.05 -4.97 117.00 106.61 1smy n LEU 421 Ca 0.01 0.91 -0.30 0.00 -0.00 0.00 0.00 56.01 56.62 1smy n LEU 421 Cb 0.75 -1.22 0.09 0.00 -0.00 0.00 0.00 43.42 43.05 1smy n LEU 421 CO 0.42 -2.41 0.71 0.00 -0.00 0.00 0.00 177.39 176.11 1smy s ALA 422 N -1.46 2.22 1.01 1.47 0.00 -1.26 -5.03 121.76 118.72 1smy s ALA 422 Ca 0.65 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.39 1smy s ALA 422 Cb -0.54 -3.13 0.10 0.00 0.00 0.00 0.00 23.12 19.55 1smy s ALA 422 CO 0.56 -1.74 0.58 -0.25 0.00 0.00 0.00 175.76 174.91 1smy n ASP 423 N -3.45 -0.14 -4.24 0.00 8.00 -1.26 -4.81 116.55 110.64 1smy n ASP 423 Ca 0.07 -1.16 -0.11 0.00 0.71 0.00 0.00 54.79 54.30 1smy n ASP 423 Cb 0.56 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 1smy n ASP 423 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1smy n GLY 424 N 0.89 -0.19 0.00 0.44 0.00 -1.12 -4.02 105.19 101.19 1smy n GLY 424 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1smy n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smy n GLY 425 N 5.29 -1.20 2.81 -0.02 0.00 -0.75 -4.82 105.19 106.51 1smy n GLY 425 Ca 0.24 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.58 1smy n GLY 425 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1smy s LYS 426 N 0.37 1.00 -0.03 1.61 2.36 -1.26 -4.19 119.74 119.62 1smy s LYS 426 Ca 0.00 -0.87 -0.00 0.00 -2.55 0.00 0.00 55.97 52.55 1smy s LYS 426 Cb 0.00 -2.27 0.03 0.00 -1.05 0.00 0.00 37.83 34.54 1smy s LYS 426 CO 0.00 -0.75 0.02 0.08 1.55 0.00 0.00 175.35 176.25 1smy s VAL 427 N 1.60 0.05 -0.39 4.02 1.01 -1.24 -4.88 120.40 120.56 1smy s VAL 427 Ca 0.01 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 1smy s VAL 427 Cb -0.18 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1smy s VAL 427 CO -0.13 0.13 0.26 -1.59 0.00 0.00 0.00 175.10 173.77 1smy s LYS 428 N 1.16 2.95 0.00 2.72 -2.85 -1.26 -2.82 119.74 119.64 1smy s LYS 428 Ca -0.08 -1.02 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 1smy s LYS 428 Cb -0.13 -3.87 0.00 0.00 -2.06 0.00 0.00 37.83 31.77 1smy s LYS 428 CO -0.02 -0.71 0.00 -1.13 0.10 0.00 0.00 175.35 173.59 1smy n SER 429 N 5.09 0.00 0.00 0.03 3.41 -1.21 -5.03 113.62 115.91 1smy n SER 429 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1smy n SER 429 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1smy n SER 429 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1smy n ASP 430 N 0.00 0.00 0.20 4.04 8.00 -1.26 -4.90 116.55 122.63 1smy n ASP 430 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1smy n ASP 430 Cb 0.00 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 41.55 1smy n ASP 430 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1smy h VAL 431 N 0.00 1.17 -3.91 2.53 3.04 -1.99 -3.41 116.25 113.67 1smy h VAL 431 Ca 0.00 -0.78 -0.51 0.00 -1.01 0.00 0.00 66.70 64.40 1smy h VAL 431 Cb 0.00 1.39 0.05 0.00 -2.01 0.00 0.00 31.29 30.72 1smy h VAL 431 CO 0.00 0.23 0.52 -0.31 -1.01 0.00 0.00 177.57 176.99 1smy s TYR 432 N -4.56 3.15 -0.00 3.17 2.02 -1.24 -4.54 117.35 115.35 1smy s TYR 432 Ca -0.04 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 1smy s TYR 432 Cb 0.15 -3.41 0.01 0.00 -0.40 0.00 0.00 41.96 38.31 1smy s TYR 432 CO 0.71 -1.26 0.84 0.41 -1.57 0.00 0.00 175.55 174.67 1smy n GLY 433 N 0.73 1.05 3.06 0.71 0.00 -0.01 -3.29 105.19 107.45 1smy n GLY 433 Ca 0.03 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1smy n GLY 433 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smy s ARG 434 N -0.70 0.77 -0.18 1.61 1.81 -1.06 -3.66 118.95 117.55 1smy s ARG 434 Ca 0.01 -0.49 -0.02 0.00 -1.72 0.00 0.00 55.73 53.50 1smy s ARG 434 Cb 0.01 -0.73 0.06 0.00 -0.45 0.00 0.00 34.95 33.83 1smy s ARG 434 CO 0.00 0.19 0.02 0.08 -0.68 0.00 0.00 175.30 174.91 1smy s VAL 435 N -0.52 0.59 0.17 3.52 1.01 -1.25 0.88 120.40 124.81 1smy s VAL 435 Ca 0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1smy s VAL 435 Cb -0.05 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1smy s VAL 435 CO 0.00 -0.14 0.39 -1.61 0.00 0.00 0.00 175.10 173.74 1smy s GLU 436 N 1.83 3.57 -0.04 2.72 2.02 0.20 -1.80 118.70 127.21 1smy s GLU 436 Ca -0.01 -0.19 0.05 0.00 0.02 0.00 0.00 54.97 54.84 1smy s GLU 436 Cb -0.17 -2.83 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 1smy s GLU 436 CO -0.08 0.42 -0.18 0.08 0.02 0.00 0.00 175.26 175.53 1smy s VAL 437 N -1.77 1.48 -0.30 2.63 1.01 -1.26 -1.07 120.40 121.12 1smy s VAL 437 Ca 0.40 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1smy s VAL 437 Cb -0.12 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 35.09 1smy s VAL 437 CO 0.27 0.42 0.04 -0.62 0.00 0.00 0.00 175.10 175.22 1smy s ASP 438 N -0.09 4.19 0.00 3.32 2.15 -1.22 -4.79 116.67 120.23 1smy s ASP 438 Ca -0.01 -1.67 0.14 0.00 0.43 0.00 0.00 52.55 51.44 1smy s ASP 438 Cb -0.11 -1.18 0.81 0.00 -0.30 0.00 0.00 42.92 42.15 1smy s ASP 438 CO 0.02 -0.36 1.32 0.18 -0.17 0.00 0.00 175.17 176.16 1smy n LEU 439 N 4.62 0.00 0.00 -1.34 4.77 -1.26 -3.67 117.00 120.12 1smy n LEU 439 Ca -0.03 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1smy n LEU 439 Cb 0.43 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1smy n LEU 439 CO 0.16 -0.06 0.10 0.52 -1.33 0.00 0.00 177.39 176.79 1smy n VAL 440 N -1.10 0.00 -3.35 4.08 0.31 -1.26 -4.74 118.33 112.26 1smy n VAL 440 Ca 0.09 0.69 -0.25 0.00 -0.01 0.00 0.00 64.34 64.87 1smy n VAL 440 Cb 0.07 -1.68 -0.02 0.00 -0.91 0.00 0.00 33.84 31.31 1smy n VAL 440 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1smy s ARG 441 N -0.40 3.52 -0.56 5.55 3.52 -1.25 -4.92 118.95 124.40 1smy s ARG 441 Ca 0.00 -0.24 -0.04 0.00 -0.13 0.00 0.00 55.73 55.32 1smy s ARG 441 Cb 0.00 -2.66 -0.06 0.00 -1.56 0.00 0.00 34.95 30.68 1smy s ARG 441 CO 0.00 0.16 1.87 0.09 -0.81 0.00 0.00 175.30 176.61 1smy n ASN 442 N -1.58 3.52 -4.44 -2.12 3.02 -1.26 -4.75 115.26 107.65 1smy n ASN 442 Ca -0.04 -2.18 -0.44 0.00 -0.03 0.00 0.00 54.58 51.89 1smy n ASN 442 Cb 0.55 -0.89 -0.01 0.00 -0.61 0.00 0.00 39.78 38.82 1smy n ASN 442 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1smy s VAL 443 N 3.40 5.04 -0.88 2.41 1.01 -1.24 -3.86 120.40 126.27 1smy s VAL 443 Ca 0.30 -2.25 -0.25 0.00 0.00 0.00 0.00 61.98 59.79 1smy s VAL 443 Cb 0.09 -4.80 0.02 0.00 0.00 0.00 0.00 36.38 31.70 1smy s VAL 443 CO -0.02 -1.49 1.51 0.54 0.00 0.00 0.00 175.10 175.64 1smy s VAL 444 N 1.68 3.74 -0.08 2.92 0.11 -0.38 -3.43 120.40 124.97 1smy s VAL 444 Ca 0.35 -0.27 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 1smy s VAL 444 Cb -0.05 -4.77 -0.05 0.00 -1.53 0.00 0.00 36.38 29.98 1smy s VAL 444 CO -0.05 -1.68 1.69 -0.13 -3.33 0.00 0.00 175.10 171.60 1smy s ARG 445 N 5.68 4.07 -0.37 1.54 3.00 -0.23 -3.32 118.95 129.32 1smy s ARG 445 Ca 0.48 2.12 0.02 0.00 0.00 0.00 0.00 55.73 58.35 1smy s ARG 445 Cb -0.04 -4.02 0.11 0.00 0.00 0.00 0.00 34.95 30.99 1smy s ARG 445 CO 0.01 -0.98 0.11 0.08 0.00 0.00 0.00 175.30 174.52 1smy s VAL 446 N 4.44 2.56 1.03 3.52 1.01 -1.09 0.61 120.40 132.49 1smy s VAL 446 Ca 0.75 -2.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.23 1smy s VAL 446 Cb -0.32 -2.84 0.20 0.00 0.00 0.00 0.00 36.38 33.42 1smy s VAL 446 CO 0.30 -0.64 1.12 0.54 0.00 0.00 0.00 175.10 176.43 1smy s VAL 447 N 0.86 1.90 -0.12 2.92 0.11 0.25 -3.47 120.40 122.85 1smy s VAL 447 Ca 0.11 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.27 1smy s VAL 447 Cb -0.20 -2.58 -0.16 0.00 -1.53 0.00 0.00 36.38 31.90 1smy s VAL 447 CO -0.07 0.00 0.07 -0.62 -3.33 0.00 0.00 175.10 171.15 1smy n GLU 448 N -4.22 1.80 -0.82 1.54 4.71 -1.26 -2.55 120.64 119.85 1smy n GLU 448 Ca 0.08 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.16 56.90 1smy n GLU 448 Cb 0.59 -1.33 0.15 0.00 -1.01 0.00 0.00 31.44 29.84 1smy n GLU 448 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1smy s SER 449 N -4.48 3.21 0.00 1.62 0.15 -1.26 -0.83 113.70 112.11 1smy s SER 449 Ca -0.06 2.10 0.00 0.00 0.70 0.00 0.00 55.95 58.69 1smy s SER 449 Cb 0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1smy s SER 449 CO 0.52 -2.90 0.00 0.00 1.20 0.00 0.00 173.24 172.06 1smy n TYR 450 N -4.10 -0.32 -0.88 3.44 9.36 -1.26 -1.74 117.16 121.66 1smy n TYR 450 Ca 0.11 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 61.03 1smy n TYR 450 Cb 0.52 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.20 1smy n TYR 450 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1smy n ASP 451 N -0.60 3.81 -4.55 2.98 8.00 -1.26 -4.86 116.55 120.06 1smy n ASP 451 Ca 0.00 -2.45 -0.38 0.00 0.71 0.00 0.00 54.79 52.67 1smy n ASP 451 Cb 0.00 -1.08 -0.03 0.00 -0.02 0.00 0.00 41.12 39.98 1smy n ASP 451 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1smy s ILE 452 N 4.09 3.45 -0.51 0.53 2.07 -1.26 -4.46 121.20 125.11 1smy s ILE 452 Ca 0.45 0.14 -0.26 0.00 -1.41 0.00 0.00 60.65 59.57 1smy s ILE 452 Cb 0.12 -4.16 -0.05 0.00 0.13 0.00 0.00 42.46 38.50 1smy s ILE 452 CO 0.03 -1.12 2.14 -0.62 -1.91 0.00 0.00 174.94 173.45 1smy s ASP 453 N 7.20 4.93 -0.19 4.50 -1.08 -0.93 -4.90 116.67 126.19 1smy s ASP 453 Ca 0.61 0.86 -0.02 0.00 -0.52 0.00 0.00 52.55 53.48 1smy s ASP 453 Cb -0.11 -2.51 -0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1smy s ASP 453 CO 0.16 -2.55 -0.11 0.00 0.52 0.00 0.00 175.17 173.20 1smy s ALA 454 N 10.37 2.63 0.04 3.66 0.00 -1.26 -1.52 121.76 135.68 1smy s ALA 454 Ca 0.85 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 1smy s ALA 454 Cb -0.17 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 1smy s ALA 454 CO 0.25 -0.28 -0.02 1.03 0.00 0.00 0.00 175.76 176.74 1smy s ARG 455 N 1.22 0.52 0.03 0.00 0.52 -1.25 -4.97 118.95 115.03 1smy s ARG 455 Ca 0.02 -0.99 -0.07 0.00 -0.52 0.00 0.00 55.73 54.18 1smy s ARG 455 Cb -0.14 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.50 1smy s ARG 455 CO -0.04 -0.10 0.12 0.00 0.02 0.00 0.00 175.30 175.30 1smy s MET 456 N -3.06 0.59 0.00 3.54 0.23 -1.26 -1.69 119.30 117.65 1smy s MET 456 Ca -0.01 -0.66 0.00 0.00 -1.03 0.00 0.00 55.69 53.99 1smy s MET 456 Cb 0.02 0.24 0.00 0.00 -1.53 0.00 0.00 34.83 33.55 1smy s MET 456 CO -0.07 -0.15 0.00 0.41 -2.03 0.00 0.00 175.02 173.18 1smy n GLY 457 N 0.89 -1.02 0.57 3.16 0.00 -0.94 -4.31 105.19 103.54 1smy n GLY 457 Ca -0.20 -1.65 0.35 0.00 0.00 0.00 0.00 46.02 44.53 1smy n GLY 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy h ALA 458 N 0.00 3.14 0.33 4.61 0.00 -1.80 -0.59 119.26 124.95 1smy h ALA 458 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1smy h ALA 458 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1smy h ALA 458 CO 0.00 -1.79 -0.36 1.49 0.00 0.00 0.00 179.25 178.59 1smy h GLU 459 N 0.00 -0.68 -0.67 0.00 4.81 -1.75 0.78 114.58 117.08 1smy h GLU 459 Ca 0.59 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 60.01 1smy h GLU 459 Cb 2.89 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 32.31 1smy h GLU 459 CO -0.01 -0.45 0.04 0.00 -0.73 0.00 0.00 179.01 177.86 1smy h ALA 460 N -1.13 0.71 -0.48 2.92 0.00 -1.30 -0.46 119.26 119.51 1smy h ALA 460 Ca -0.04 0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1smy h ALA 460 Cb 0.61 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1smy h ALA 460 CO -0.06 -0.39 -0.16 0.82 0.00 0.00 0.00 179.25 179.47 1smy h ILE 461 N 0.14 1.27 -0.50 0.00 1.08 -1.48 -2.34 117.51 115.68 1smy h ILE 461 Ca 0.36 -1.29 0.07 0.00 -0.39 0.00 0.00 64.86 63.61 1smy h ILE 461 Cb 0.60 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 35.35 1smy h ILE 461 CO -0.55 0.45 0.17 -0.61 -0.69 0.00 0.00 178.15 176.91 1smy h GLN 462 N 0.82 0.33 0.29 2.37 4.15 0.22 -1.08 115.11 122.22 1smy h GLN 462 Ca 0.12 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1smy h GLN 462 Cb 0.70 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 1smy h GLN 462 CO 0.05 0.22 -0.39 1.96 -1.93 0.00 0.00 178.83 178.74 1smy h GLN 463 N 0.34 -0.70 -0.29 1.69 1.08 -1.12 -2.49 115.11 113.61 1smy h GLN 463 Ca 0.25 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.56 1smy h GLN 463 Cb 0.28 0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 27.79 1smy h GLN 463 CO -0.26 -0.47 -0.23 -0.07 -0.95 0.00 0.00 178.83 176.84 1smy h LEU 464 N -0.73 -0.77 -1.58 1.46 3.38 -0.98 -1.36 115.31 114.74 1smy h LEU 464 Ca -0.01 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1smy h LEU 464 Cb 0.69 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1smy h LEU 464 CO -0.12 -0.27 0.39 0.25 0.09 0.00 0.00 178.44 178.78 1smy h LEU 465 N -0.22 0.44 -0.17 1.67 6.46 -1.07 -2.55 115.31 119.88 1smy h LEU 465 Ca 0.15 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.76 1smy h LEU 465 Cb 0.45 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1smy h LEU 465 CO -0.42 0.28 -0.49 0.11 -0.62 0.00 0.00 178.44 177.30 1smy h LYS 466 N 0.50 0.64 -3.08 1.25 1.57 -0.81 -3.31 116.57 113.34 1smy h LYS 466 Ca 0.26 -0.46 -0.69 0.00 -1.87 0.00 0.00 60.65 57.89 1smy h LYS 466 Cb 0.36 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1smy h LYS 466 CO -0.07 1.08 3.57 0.39 -0.57 0.00 0.00 179.45 183.84 1smy n GLU 467 N -4.18 3.72 -3.63 3.15 1.02 -0.82 -4.82 120.64 115.09 1smy n GLU 467 Ca -0.07 -2.43 -0.19 0.00 -0.02 0.00 0.00 57.16 54.45 1smy n GLU 467 Cb 0.59 -2.84 -0.16 0.00 -0.02 0.00 0.00 31.44 29.02 1smy n GLU 467 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1smy s LEU 468 N 0.10 0.03 -1.06 -4.62 1.43 -1.25 -4.95 118.68 108.36 1smy s LEU 468 Ca 0.65 0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 1smy s LEU 468 Cb 0.17 0.13 0.21 0.00 0.03 0.00 0.00 46.19 46.73 1smy s LEU 468 CO -0.07 -0.28 1.15 -0.62 0.23 0.00 0.00 176.35 176.77 1smy s ASP 469 N 2.25 7.02 0.30 2.29 -1.08 -1.26 -4.89 116.67 121.30 1smy s ASP 469 Ca 0.04 -2.96 0.10 0.00 -0.52 0.00 0.00 52.55 49.21 1smy s ASP 469 Cb -0.13 -2.31 0.95 0.00 -1.46 0.00 0.00 42.92 39.97 1smy s ASP 469 CO -0.07 -0.63 1.40 0.18 0.52 0.00 0.00 175.17 176.58 1smy n LEU 470 N 4.58 0.11 -0.18 -1.34 4.77 -1.26 0.07 117.00 123.75 1smy n LEU 470 Ca 0.26 1.50 -0.02 0.00 -0.03 0.00 0.00 56.01 57.72 1smy n LEU 470 Cb 0.44 -0.64 0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1smy n LEU 470 CO 0.50 -1.60 0.77 -0.08 -1.33 0.00 0.00 177.39 175.65 1smy h GLU 471 N 0.00 0.02 0.15 3.23 4.22 -1.94 0.37 114.58 120.64 1smy h GLU 471 Ca 0.65 -0.00 0.02 0.00 0.08 0.00 0.00 59.36 60.11 1smy h GLU 471 Cb 1.57 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.77 1smy h GLU 471 CO -0.76 0.01 -0.40 0.00 -2.18 0.00 0.00 179.01 175.68 1smy h ALA 472 N 1.53 -0.73 0.00 2.92 0.00 -0.78 0.63 119.26 122.84 1smy h ALA 472 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1smy h ALA 472 Cb 0.41 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1smy h ALA 472 CO -0.54 -0.97 0.00 1.25 0.00 0.00 0.00 179.25 178.99 1smy h LEU 473 N -0.66 0.00 0.06 0.00 5.85 -1.21 0.33 115.31 119.69 1smy h LEU 473 Ca 0.02 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.55 1smy h LEU 473 Cb 0.67 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.72 1smy h LEU 473 CO -0.21 0.00 -0.76 -0.08 -0.34 0.00 0.00 178.44 177.04 1smy h GLU 474 N 0.00 0.41 -0.17 1.25 4.81 0.16 -2.61 114.58 118.43 1smy h GLU 474 Ca 0.00 -0.52 -0.19 0.00 -0.13 0.00 0.00 59.36 58.51 1smy h GLU 474 Cb 0.21 0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.76 1smy h GLU 474 CO 0.00 1.19 -0.65 0.87 -0.73 0.00 0.00 179.01 179.69 1smy h LYS 475 N -0.13 0.75 -0.34 1.92 1.79 0.01 -2.03 116.57 118.54 1smy h LYS 475 Ca -0.11 -0.57 0.04 0.00 -2.18 0.00 0.00 60.65 57.83 1smy h LYS 475 Cb 1.51 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 32.22 1smy h LYS 475 CO 0.15 1.19 0.11 0.93 -1.08 0.00 0.00 179.45 180.74 1smy h GLU 476 N 0.46 0.24 -0.29 3.15 3.07 -0.48 -1.79 114.58 118.95 1smy h GLU 476 Ca -0.03 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.71 1smy h GLU 476 Cb 1.28 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1smy h GLU 476 CO 0.14 0.16 -0.23 -0.07 -1.40 0.00 0.00 179.01 177.60 1smy h LEU 477 N 0.25 0.56 -0.58 1.33 3.38 -1.51 -0.31 115.31 118.43 1smy h LEU 477 Ca 0.16 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1smy h LEU 477 Cb 0.14 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 1smy h LEU 477 CO -0.17 0.79 0.02 -0.07 0.09 0.00 0.00 178.44 179.10 1smy h LEU 478 N 0.49 -0.21 0.10 1.67 3.38 -0.57 1.07 115.31 121.24 1smy h LEU 478 Ca 0.07 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1smy h LEU 478 Cb 0.67 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1smy h LEU 478 CO 0.05 -0.08 -0.05 -0.33 0.09 0.00 0.00 178.44 178.12 1smy h GLU 479 N 0.14 -0.13 -0.82 1.13 4.39 -1.17 -2.96 114.58 115.16 1smy h GLU 479 Ca 0.30 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.14 1smy h GLU 479 Cb 0.47 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1smy h GLU 479 CO -0.48 0.27 0.53 1.49 -1.16 0.00 0.00 179.01 179.67 1smy h GLU 480 N -0.56 0.58 0.58 2.33 4.57 -0.37 -2.41 114.58 119.30 1smy h GLU 480 Ca -0.01 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1smy h GLU 480 Cb 0.46 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1smy h GLU 480 CO 0.02 0.39 -0.28 1.98 -1.18 0.00 0.00 179.01 179.94 1smy h MET 481 N 0.60 -0.75 -0.02 1.92 4.05 0.12 -3.35 114.93 117.50 1smy h MET 481 Ca 0.40 0.05 -0.18 0.00 -0.28 0.00 0.00 59.70 59.69 1smy h MET 481 Cb 0.69 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.65 1smy h MET 481 CO -0.16 -0.50 -0.79 -0.22 0.23 0.00 0.00 176.91 175.47 1smy h LYS 482 N -1.18 0.20 0.00 0.39 3.64 -1.46 -3.42 116.57 114.74 1smy h LYS 482 Ca -0.08 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1smy h LYS 482 Cb 0.60 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1smy h LYS 482 CO 0.13 0.89 -0.12 0.45 -2.27 0.00 0.00 179.45 178.53 1smy h HIS 483 N 0.13 0.00 -2.25 1.91 3.86 -1.60 -3.48 115.15 113.71 1smy h HIS 483 Ca -0.03 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.82 1smy h HIS 483 Cb 1.38 0.00 0.20 0.00 1.06 0.00 0.00 27.41 30.04 1smy h HIS 483 CO 0.03 0.00 -0.69 -2.30 0.86 0.00 0.00 177.93 175.82 1smy n PRO 484 N -3.03 -2.23 -0.99 2.45 -0.02 -1.26 -4.96 135.00 124.97 1smy n PRO 484 Ca -0.02 -0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 60.53 1smy n PRO 484 Cb 0.06 -1.65 0.18 0.00 -0.02 0.00 0.00 33.50 32.07 1smy n PRO 484 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1smy s SER 485 N -2.03 2.50 0.20 2.55 0.15 -1.26 -4.77 113.70 111.05 1smy s SER 485 Ca 0.50 1.45 -0.21 0.00 0.70 0.00 0.00 55.95 58.39 1smy s SER 485 Cb -0.10 -2.13 0.13 0.00 -1.71 0.00 0.00 66.02 62.21 1smy s SER 485 CO 0.54 -3.24 1.49 0.54 1.20 0.00 0.00 173.24 173.76 1smy n ARG 486 N -4.27 -0.30 0.00 5.44 5.12 -1.26 -3.10 116.66 118.29 1smy n ARG 486 Ca 0.06 1.47 0.00 0.00 -1.93 0.00 0.00 57.85 57.45 1smy n ARG 486 Cb 0.55 -2.18 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 1smy n ARG 486 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1smy n ALA 487 N -3.42 0.00 -0.15 7.54 0.00 -1.26 0.61 120.51 123.83 1smy n ALA 487 Ca 0.07 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.69 1smy n ALA 487 Cb 0.34 0.04 0.55 0.00 0.00 0.00 0.00 19.45 20.38 1smy n ALA 487 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1smy h ARG 488 N 0.00 0.31 0.00 0.00 -0.00 -1.95 -0.14 114.38 112.60 1smy h ARG 488 Ca 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 59.98 59.83 1smy h ARG 488 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 29.88 1smy h ARG 488 CO 0.00 0.21 -0.61 0.07 -0.00 0.00 0.00 179.97 179.64 1smy h ARG 489 N 0.32 0.00 -0.12 0.08 0.11 -1.45 -1.63 114.38 111.69 1smy h ARG 489 Ca 0.37 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.41 1smy h ARG 489 Cb 0.97 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.05 1smy h ARG 489 CO -0.10 0.61 -0.06 0.00 0.10 0.00 0.00 179.97 180.52 1smy h ALA 490 N 1.39 0.18 -0.66 0.08 0.00 0.20 -2.02 119.26 118.44 1smy h ALA 490 Ca -0.01 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1smy h ALA 490 Cb 1.17 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1smy h ALA 490 CO 0.08 -0.04 0.37 -0.22 0.00 0.00 0.00 179.25 179.43 1smy h LYS 491 N -0.08 0.66 -0.82 0.00 3.64 -1.37 -2.30 116.57 116.29 1smy h LYS 491 Ca 0.03 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1smy h LYS 491 Cb 0.52 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1smy h LYS 491 CO 0.02 0.43 0.54 0.00 -2.27 0.00 0.00 179.45 178.18 1smy h ALA 492 N 1.34 1.45 -0.31 5.00 0.00 -1.11 -1.03 119.26 124.61 1smy h ALA 492 Ca 0.29 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1smy h ALA 492 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1smy h ALA 492 CO -0.18 0.49 -0.06 0.00 0.00 0.00 0.00 179.25 179.49 1smy h ARG 493 N 1.07 0.60 0.00 0.00 3.08 -0.81 0.19 114.38 118.50 1smy h ARG 493 Ca 0.31 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1smy h ARG 493 Cb -0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1smy h ARG 493 CO -0.08 0.78 0.00 0.87 -1.07 0.00 0.00 179.97 180.46 1smy h LYS 494 N 0.37 0.00 0.00 0.04 1.79 -1.19 -1.62 116.57 115.97 1smy h LYS 494 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1smy h LYS 494 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1smy h LYS 494 CO 0.03 0.00 -0.92 -2.13 -1.08 0.00 0.00 179.45 175.35 1smy n ARG 495 N -2.79 0.13 0.04 3.15 0.63 -0.42 -4.17 116.66 113.22 1smy n ARG 495 Ca 0.01 -0.01 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 1smy n ARG 495 Cb 0.25 -1.53 -0.14 0.00 0.45 0.00 0.00 32.46 31.48 1smy n ARG 495 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1smy h LEU 496 N 0.00 0.43 -0.59 6.15 5.85 0.33 -3.34 115.31 124.13 1smy h LEU 496 Ca 0.00 -0.72 0.09 0.00 0.84 0.00 0.00 57.88 58.09 1smy h LEU 496 Cb 0.60 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.38 1smy h LEU 496 CO 0.00 1.62 -0.41 -0.33 -0.34 0.00 0.00 178.44 178.98 1smy h GLU 497 N 0.07 -0.20 -0.30 1.25 4.39 -1.65 0.27 114.58 118.42 1smy h GLU 497 Ca -0.33 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 1smy h GLU 497 Cb 2.05 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.73 1smy h GLU 497 CO 0.14 -0.13 0.12 -0.39 -1.16 0.00 0.00 179.01 177.58 1smy h VAL 498 N -0.21 1.18 0.00 3.13 -1.51 -1.78 0.48 116.25 117.54 1smy h VAL 498 Ca 0.19 -0.54 -0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1smy h VAL 498 Cb 0.56 0.98 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1smy h VAL 498 CO -0.69 0.19 -0.00 0.58 -1.23 0.00 0.00 177.57 176.41 1smy h VAL 499 N 0.33 0.72 0.12 7.19 2.07 -1.43 -0.89 116.25 124.36 1smy h VAL 499 Ca 0.10 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1smy h VAL 499 Cb 0.18 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1smy h VAL 499 CO -0.01 0.00 -0.06 0.03 0.02 0.00 0.00 177.57 177.56 1smy h ARG 500 N 0.00 -0.15 -0.42 1.57 2.47 0.13 -2.72 114.38 115.26 1smy h ARG 500 Ca -0.00 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.79 1smy h ARG 500 Cb 0.01 0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.28 1smy h ARG 500 CO 0.00 0.22 -0.50 0.00 0.56 0.00 0.00 179.97 180.26 1smy h ALA 501 N -0.56 -0.60 -0.09 0.04 0.00 -0.31 1.02 119.26 118.75 1smy h ALA 501 Ca -0.02 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1smy h ALA 501 Cb 0.45 1.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1smy h ALA 501 CO 0.03 -0.96 -0.33 0.74 0.00 0.00 0.00 179.25 178.73 1smy h PHE 502 N -0.36 -0.97 -0.48 0.00 0.05 -1.32 -1.10 116.94 112.76 1smy h PHE 502 Ca 0.11 0.04 0.14 0.00 3.82 0.00 0.00 57.97 62.07 1smy h PHE 502 Cb 0.59 0.44 -0.02 0.00 2.00 0.00 0.00 35.95 38.96 1smy h PHE 502 CO -0.68 -0.33 0.41 -0.07 -0.18 0.00 0.00 178.31 177.47 1smy h LEU 503 N -0.34 0.00 0.00 1.54 3.38 -1.01 -3.29 115.31 115.59 1smy h LEU 503 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1smy h LEU 503 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1smy h LEU 503 CO -0.27 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.73 1smy n ASP 504 N -4.02 0.00 -0.11 -0.43 8.00 0.35 -4.76 116.55 115.57 1smy n ASP 504 Ca 0.09 0.00 0.27 0.00 0.71 0.00 0.00 54.79 55.86 1smy n ASP 504 Cb 0.62 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 42.42 1smy n ASP 504 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1smy h SER 505 N 0.00 0.00 -2.60 -2.24 0.87 -1.80 -3.43 113.55 104.36 1smy h SER 505 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 1smy h SER 505 Cb 0.00 0.00 0.23 0.00 -0.44 0.00 0.00 62.40 62.19 1smy h SER 505 CO 0.00 0.00 -1.21 0.61 -0.53 0.00 0.00 176.83 175.70 1smy n GLY 506 N -1.64 -2.86 3.85 5.77 0.00 -0.91 -4.92 105.19 104.49 1smy n GLY 506 Ca 0.16 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1smy n GLY 506 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1smy s ASN 507 N -1.63 3.51 -0.16 1.61 0.02 -1.26 -4.72 114.94 112.32 1smy s ASN 507 Ca 0.50 0.68 -0.25 0.00 -1.02 0.00 0.00 52.86 52.77 1smy s ASN 507 Cb -0.15 -1.05 -0.02 0.00 0.02 0.00 0.00 41.25 40.05 1smy s ASN 507 CO 0.71 -2.52 0.83 -0.13 0.02 0.00 0.00 177.10 176.01 1smy s ARG 508 N -5.56 4.31 0.00 -0.60 0.52 -1.26 -4.66 118.95 111.69 1smy s ARG 508 Ca 0.67 1.02 0.00 0.00 -0.52 0.00 0.00 55.73 56.90 1smy s ARG 508 Cb -0.10 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1smy s ARG 508 CO 0.52 -0.30 0.44 -0.35 0.02 0.00 0.00 175.30 175.63 1smy n PRO 509 N 5.12 0.00 0.00 3.54 -0.04 -1.26 -3.39 135.00 138.96 1smy n PRO 509 Ca 0.04 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1smy n PRO 509 Cb 0.49 -1.58 0.69 0.00 -0.04 0.00 0.00 33.50 33.06 1smy n PRO 509 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1smy n GLU 510 N -0.94 0.54 0.09 0.54 4.71 -1.26 -3.47 120.64 120.85 1smy n GLU 510 Ca 0.00 0.03 0.12 0.00 -0.01 0.00 0.00 57.16 57.30 1smy n GLU 510 Cb 0.08 -1.50 0.17 0.00 -1.01 0.00 0.00 31.44 29.17 1smy n GLU 510 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 1smy h TRP 511 N 0.00 0.00 0.00 -0.32 -0.00 -1.84 -3.32 115.95 110.47 1smy h TRP 511 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1smy h TRP 511 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.30 1smy h TRP 511 CO 0.00 0.00 0.13 0.52 -0.00 0.00 0.00 178.44 179.09 1smy h MET 512 N 0.00 0.00 -6.74 0.49 2.86 -1.86 -3.41 114.93 106.28 1smy h MET 512 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1smy h MET 512 Cb 0.81 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1smy h MET 512 CO 0.00 0.00 0.32 0.42 1.06 0.00 0.00 176.91 178.71 1smy s ILE 513 N -3.90 4.15 -0.19 -1.22 1.01 -1.25 -3.85 121.20 115.95 1smy s ILE 513 Ca -0.04 1.96 0.01 0.00 0.00 0.00 0.00 60.65 62.59 1smy s ILE 513 Cb 0.09 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.36 1smy s ILE 513 CO 0.29 0.43 -0.17 -0.76 0.00 0.00 0.00 174.94 174.73 1smy s LEU 514 N -1.36 2.33 0.00 2.97 1.43 -0.51 -4.86 118.68 118.69 1smy s LEU 514 Ca 0.42 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1smy s LEU 514 Cb -0.24 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1smy s LEU 514 CO 0.29 -0.06 0.14 -1.84 0.23 0.00 0.00 176.35 175.12 1smy n GLU 515 N 4.61 2.50 -3.66 1.70 0.28 -1.26 -0.91 120.64 123.90 1smy n GLU 515 Ca -0.18 -0.14 -0.29 0.00 -0.16 0.00 0.00 57.16 56.38 1smy n GLU 515 Cb 0.48 -0.55 -0.15 0.00 1.43 0.00 0.00 31.44 32.65 1smy n GLU 515 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1smy s ALA 516 N -0.40 1.19 -0.29 -1.84 0.00 -1.26 -1.77 121.76 117.38 1smy s ALA 516 Ca 0.00 -1.46 -0.25 0.00 0.00 0.00 0.00 51.96 50.26 1smy s ALA 516 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1smy s ALA 516 CO 0.00 -1.67 0.85 0.08 0.00 0.00 0.00 175.76 175.02 1smy s VAL 517 N 1.79 4.75 0.67 0.00 1.01 -0.97 -4.92 120.40 122.74 1smy s VAL 517 Ca 0.10 1.36 -0.16 0.00 0.00 0.00 0.00 61.98 63.28 1smy s VAL 517 Cb -0.17 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.03 1smy s VAL 517 CO -0.29 -0.25 1.17 -2.84 0.00 0.00 0.00 175.10 172.88 1smy s PRO 518 N 3.05 2.57 -0.20 2.72 0.02 -1.26 -0.97 135.00 140.93 1smy s PRO 518 Ca 0.35 1.63 -0.01 0.00 0.02 0.00 0.00 61.00 63.00 1smy s PRO 518 Cb -0.14 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.49 1smy s PRO 518 CO 0.12 -1.48 -0.14 0.08 -0.33 0.00 0.00 177.00 175.25 1smy s VAL 519 N -2.03 2.55 0.38 3.83 1.01 0.36 -4.79 120.40 121.71 1smy s VAL 519 Ca 0.72 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 1smy s VAL 519 Cb -0.26 -2.11 -0.11 0.00 0.00 0.00 0.00 36.38 33.90 1smy s VAL 519 CO 0.41 0.50 1.43 -0.11 0.00 0.00 0.00 175.10 177.33 1smy n LEU 520 N 4.69 4.55 -3.41 3.92 7.94 -1.26 -2.33 117.00 131.09 1smy n LEU 520 Ca -0.20 1.21 -0.31 0.00 -1.11 0.00 0.00 56.01 55.60 1smy n LEU 520 Cb 0.50 -1.59 0.02 0.00 0.53 0.00 0.00 43.42 42.89 1smy n LEU 520 CO 0.27 -0.04 -0.81 -2.65 -1.11 0.00 0.00 177.39 173.05 1smy n PRO 521 N 0.37 0.00 0.09 1.96 -0.02 -1.24 -4.82 135.00 131.34 1smy n PRO 521 Ca 0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.46 1smy n PRO 521 Cb 0.39 -0.83 -0.02 0.00 -0.02 0.00 0.00 33.50 33.02 1smy n PRO 521 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1smy h PRO 522 N -0.40 -0.31 -0.23 0.52 0.11 -1.74 -3.21 132.00 126.74 1smy h PRO 522 Ca -0.35 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.85 1smy h PRO 522 Cb 1.14 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1smy h PRO 522 CO 0.27 -0.20 0.37 -0.44 -0.21 0.00 0.00 178.00 177.78 1smy h ASP 523 N -1.04 0.00 0.96 -2.05 5.19 -1.84 0.99 116.42 118.63 1smy h ASP 523 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1smy h ASP 523 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1smy h ASP 523 CO 0.05 0.00 -0.18 0.18 -3.12 0.00 0.00 179.24 176.17 1smy n LEU 524 N -3.41 0.33 -2.77 1.55 4.77 -1.24 -3.63 117.00 112.61 1smy n LEU 524 Ca 0.03 0.37 -0.20 0.00 -0.03 0.00 0.00 56.01 56.18 1smy n LEU 524 Cb 0.49 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1smy n LEU 524 CO 0.22 -0.01 0.01 -2.11 -1.33 0.00 0.00 177.39 174.18 1smy n ARG 525 N -1.70 2.28 -1.13 3.23 1.85 0.34 -5.00 116.66 116.52 1smy n ARG 525 Ca 0.06 -4.02 -0.37 0.00 -1.00 0.00 0.00 57.85 52.52 1smy n ARG 525 Cb 0.37 -1.86 0.04 0.00 -1.05 0.00 0.00 32.46 29.95 1smy n ARG 525 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1smy n PRO 526 N -0.17 0.04 -3.71 2.89 -0.02 -1.01 -4.59 135.00 128.45 1smy n PRO 526 Ca 0.26 0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 1smy n PRO 526 Cb 0.65 -1.21 -0.13 0.00 -0.02 0.00 0.00 33.50 32.79 1smy n PRO 526 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1smy s MET 527 N -1.87 1.18 0.20 -0.52 1.75 -1.26 -3.60 119.30 115.17 1smy s MET 527 Ca 0.52 -1.84 0.09 0.00 -1.25 0.00 0.00 55.69 53.21 1smy s MET 527 Cb -0.33 -2.25 -0.04 0.00 2.84 0.00 0.00 34.83 35.05 1smy s MET 527 CO 0.71 -1.14 -0.10 0.08 -0.65 0.00 0.00 175.02 173.92 1smy s VAL 528 N 0.57 3.12 -0.08 10.11 1.01 -1.05 -4.96 120.40 129.11 1smy s VAL 528 Ca 0.16 -1.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.14 1smy s VAL 528 Cb -0.23 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1smy s VAL 528 CO -0.03 -0.16 0.73 -1.10 0.00 0.00 0.00 175.10 174.54 1smy s GLN 529 N -2.97 4.41 0.00 2.72 -1.52 -1.26 -1.38 119.66 119.66 1smy s GLN 529 Ca 0.26 0.92 0.00 0.00 -1.95 0.00 0.00 55.36 54.58 1smy s GLN 529 Cb -0.08 -3.47 0.00 0.00 -0.22 0.00 0.00 33.01 29.23 1smy s GLN 529 CO 0.15 -0.02 0.00 0.28 -0.25 0.00 0.00 175.29 175.46 1smy n VAL 530 N 3.98 0.00 -3.99 1.09 0.31 0.23 -4.96 118.33 114.98 1smy n VAL 530 Ca -0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1smy n VAL 530 Cb 0.51 -0.21 -0.16 0.00 -0.91 0.00 0.00 33.84 33.07 1smy n VAL 530 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1smy s ASP 531 N -0.47 3.54 1.43 4.52 1.01 -1.25 -4.96 116.67 120.50 1smy s ASP 531 Ca 0.00 -0.97 0.00 0.00 0.71 0.00 0.00 52.55 52.29 1smy s ASP 531 Cb 0.00 -1.25 0.00 0.00 1.01 0.00 0.00 42.92 42.68 1smy s ASP 531 CO 0.00 -0.16 0.00 0.61 0.21 0.00 0.00 175.17 175.83 1smy n GLY 532 N 4.66 1.37 0.82 0.21 0.00 -1.26 -2.20 105.19 108.79 1smy n GLY 532 Ca -0.14 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1smy n GLY 532 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smy n GLY 533 N 0.00 0.80 3.66 -0.02 0.00 -1.26 -4.96 105.19 103.41 1smy n GLY 533 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1smy n GLY 533 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smy s ARG 534 N -1.53 4.26 0.19 1.61 0.52 -0.93 -4.97 118.95 118.08 1smy s ARG 534 Ca 0.25 1.61 0.06 0.00 -0.52 0.00 0.00 55.73 57.13 1smy s ARG 534 Cb 0.17 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 1smy s ARG 534 CO 0.25 -0.65 0.14 -0.06 0.02 0.00 0.00 175.30 174.99 1smy s PHE 535 N 3.25 3.10 -0.03 -0.53 0.40 -1.26 -0.60 117.98 122.31 1smy s PHE 535 Ca 0.53 -0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.80 1smy s PHE 535 Cb -0.21 -1.47 0.03 0.00 0.51 0.00 0.00 43.02 41.88 1smy s PHE 535 CO 0.14 0.52 0.03 0.00 0.70 0.00 0.00 175.22 176.61 1smy s ALA 536 N -1.85 0.25 0.11 5.36 0.00 -0.48 -4.92 121.76 120.23 1smy s ALA 536 Ca 0.31 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.48 1smy s ALA 536 Cb -0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1smy s ALA 536 CO 0.23 -0.24 -0.05 -0.08 0.00 0.00 0.00 175.76 175.62 1smy s THR 537 N 1.46 0.70 0.27 0.00 -1.32 -1.26 -2.54 115.64 112.96 1smy s THR 537 Ca -0.04 -1.95 -0.30 0.00 -1.21 0.00 0.00 61.69 58.20 1smy s THR 537 Cb -0.13 -1.76 -0.10 0.00 -1.51 0.00 0.00 72.50 69.00 1smy s THR 537 CO -0.03 -0.80 1.44 -0.94 -2.21 0.00 0.00 174.62 172.08 1smy s SER 538 N -3.07 6.62 0.64 8.08 1.04 -1.24 -4.86 113.70 120.92 1smy s SER 538 Ca 0.14 2.72 0.32 0.00 0.48 0.00 0.00 55.95 59.61 1smy s SER 538 Cb 0.05 -2.63 1.75 0.00 0.10 0.00 0.00 66.02 65.30 1smy s SER 538 CO -0.03 -0.71 2.03 0.44 0.98 0.00 0.00 173.24 175.94 1smy h ASP 539 N 4.67 0.00 -0.78 7.02 3.45 -1.97 -1.82 116.42 127.00 1smy h ASP 539 Ca -0.47 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.11 1smy h ASP 539 Cb 1.22 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.91 1smy h ASP 539 CO 0.75 0.00 0.39 -0.07 -1.57 0.00 0.00 179.24 178.74 1smy h LEU 540 N 0.00 0.49 -0.96 1.55 3.38 -1.89 -2.45 115.31 115.42 1smy h LEU 540 Ca 0.04 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.20 1smy h LEU 540 Cb 0.59 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1smy h LEU 540 CO -0.00 0.25 0.59 0.78 0.09 0.00 0.00 178.44 180.15 1smy h ASN 541 N 0.61 0.86 -0.22 -0.43 2.35 -1.70 -1.22 115.58 115.84 1smy h ASN 541 Ca 0.40 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1smy h ASN 541 Cb 0.49 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1smy h ASN 541 CO -0.31 0.46 0.13 0.44 -1.65 0.00 0.00 177.43 176.51 1smy h ASP 542 N 0.94 0.25 -0.74 5.81 3.45 -1.62 -2.22 116.42 122.29 1smy h ASP 542 Ca 0.47 -0.03 0.10 0.00 0.43 0.00 0.00 57.03 58.00 1smy h ASP 542 Cb 0.46 -0.06 -0.07 0.00 -0.56 0.00 0.00 39.33 39.09 1smy h ASP 542 CO -0.26 0.21 0.38 -0.07 -1.57 0.00 0.00 179.24 177.93 1smy h LEU 543 N 0.27 0.50 -0.41 1.55 3.38 -1.29 -1.28 115.31 118.03 1smy h LEU 543 Ca 0.08 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1smy h LEU 543 Cb 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1smy h LEU 543 CO -0.02 0.28 0.23 1.88 0.09 0.00 0.00 178.44 180.90 1smy h TYR 544 N 0.63 0.42 -0.93 1.13 0.05 -0.98 -1.10 116.97 116.19 1smy h TYR 544 Ca 0.37 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.15 1smy h TYR 544 Cb 0.40 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 1smy h TYR 544 CO -0.10 0.23 0.54 0.00 -1.05 0.00 0.00 178.16 177.78 1smy h ARG 545 N 0.46 1.28 -0.25 4.88 3.08 -0.77 0.15 114.38 123.21 1smy h ARG 545 Ca 0.17 -0.13 0.06 0.00 0.07 0.00 0.00 59.98 60.15 1smy h ARG 545 Cb 0.04 -0.26 -0.07 0.00 0.08 0.00 0.00 29.97 29.76 1smy h ARG 545 CO -0.10 0.91 -0.29 0.00 -1.07 0.00 0.00 179.97 179.43 1smy h ARG 546 N 1.29 -0.29 0.87 0.04 2.47 -0.11 0.12 114.38 118.78 1smy h ARG 546 Ca 0.33 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.03 1smy h ARG 546 Cb -0.02 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1smy h ARG 546 CO -0.06 -0.19 -0.42 1.25 0.56 0.00 0.00 179.97 181.11 1smy h LEU 547 N -0.30 -0.99 -0.74 3.04 5.85 -0.82 -2.80 115.31 118.54 1smy h LEU 547 Ca 0.13 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.02 1smy h LEU 547 Cb 0.51 0.26 -0.14 0.00 0.37 0.00 0.00 40.66 41.66 1smy h LEU 547 CO -0.42 -0.70 -0.29 0.40 -0.34 0.00 0.00 178.44 177.09 1smy h ILE 548 N -1.20 0.16 0.71 4.05 1.08 -0.31 -1.06 117.51 120.94 1smy h ILE 548 Ca -0.12 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 1smy h ILE 548 Cb 0.90 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1smy h ILE 548 CO 0.20 0.00 -0.43 0.78 -0.69 0.00 0.00 178.15 178.01 1smy h ASN 549 N -0.07 -1.08 -0.45 1.72 4.21 -0.81 -0.84 115.58 118.26 1smy h ASN 549 Ca 0.31 0.06 0.09 0.00 1.21 0.00 0.00 56.30 57.97 1smy h ASN 549 Cb 0.57 0.31 -0.10 0.00 -1.12 0.00 0.00 38.32 37.98 1smy h ASN 549 CO -0.78 -0.67 -0.29 0.03 -1.29 0.00 0.00 177.43 174.43 1smy h ARG 550 N -1.07 -0.19 -0.97 0.81 2.47 -1.16 0.71 114.38 114.98 1smy h ARG 550 Ca -0.09 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.75 1smy h ARG 550 Cb 0.86 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 29.14 1smy h ARG 550 CO 0.10 -0.12 0.62 -0.97 0.56 0.00 0.00 179.97 180.15 1smy h ASN 551 N -0.19 0.89 -0.09 7.04 -1.24 -1.13 0.65 115.58 121.51 1smy h ASN 551 Ca 0.20 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.20 1smy h ASN 551 Cb 0.51 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 1smy h ASN 551 CO -0.56 0.49 -0.12 0.78 -1.29 0.00 0.00 177.43 176.73 1smy h ASN 552 N 0.97 0.26 -0.80 1.15 2.35 0.69 -2.67 115.58 117.53 1smy h ASN 552 Ca 0.47 -0.53 0.11 0.00 -0.55 0.00 0.00 56.30 55.80 1smy h ASN 552 Cb 0.46 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.70 1smy h ASN 552 CO -0.23 0.73 0.52 -0.09 -1.65 0.00 0.00 177.43 176.72 1smy h ARG 553 N -0.21 0.67 0.34 0.81 2.43 0.14 -2.13 114.38 116.44 1smy h ARG 553 Ca 0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1smy h ARG 553 Cb 0.68 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1smy h ARG 553 CO 0.03 0.44 -0.37 1.25 -1.51 0.00 0.00 179.97 179.82 1smy h LEU 554 N 0.69 -1.01 -0.60 3.80 7.12 0.43 0.11 115.31 125.85 1smy h LEU 554 Ca 0.38 0.08 0.12 0.00 0.13 0.00 0.00 57.88 58.59 1smy h LEU 554 Cb 0.52 0.34 -0.11 0.00 -0.53 0.00 0.00 40.66 40.88 1smy h LEU 554 CO -0.15 -0.48 -0.07 0.11 -0.13 0.00 0.00 178.44 177.73 1smy h LYS 555 N -0.71 0.06 -0.43 1.25 1.57 -1.09 0.16 116.57 117.37 1smy h LYS 555 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1smy h LYS 555 Cb 0.62 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1smy h LYS 555 CO -0.06 0.04 0.28 0.87 -0.57 0.00 0.00 179.45 180.02 1smy h LYS 556 N 0.06 0.57 0.00 3.15 1.57 -1.29 -2.23 116.57 118.41 1smy h LYS 556 Ca 0.30 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1smy h LYS 556 Cb 0.48 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1smy h LYS 556 CO -0.56 0.38 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.62 1smy h LEU 557 N 0.58 0.00 0.16 2.94 3.38 0.18 -0.94 115.31 121.62 1smy h LEU 557 Ca 0.16 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.87 1smy h LEU 557 Cb -0.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.70 1smy h LEU 557 CO -0.03 0.01 -1.24 -0.07 0.09 0.00 0.00 178.44 177.20 1smy h LEU 558 N 0.00 0.52 0.24 1.67 3.38 -0.49 -3.37 115.31 117.26 1smy h LEU 558 Ca -0.00 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 1smy h LEU 558 Cb 0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1smy h LEU 558 CO 0.00 1.57 -0.11 0.00 0.09 0.00 0.00 178.44 179.99 1smy h ALA 559 N 0.05 -0.32 0.00 1.53 0.00 -1.16 -3.07 119.26 116.29 1smy h ALA 559 Ca -0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1smy h ALA 559 Cb 1.83 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1smy h ALA 559 CO 0.15 -0.54 0.02 0.94 0.00 0.00 0.00 179.25 179.81 1smy n GLN 560 N -5.11 0.00 0.00 0.00 -0.06 -0.38 -4.86 117.38 106.97 1smy n GLN 560 Ca -0.09 0.05 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 1smy n GLN 560 Cb 0.23 -1.52 0.00 0.00 -4.06 0.00 0.00 30.24 24.90 1smy n GLN 560 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1smy n GLY 561 N -0.95 2.47 3.08 1.69 0.00 -1.16 -5.08 105.19 105.24 1smy n GLY 561 Ca 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 43.95 1smy n GLY 561 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy s ALA 562 N -2.37 -1.92 -0.06 4.61 0.00 -1.26 -4.34 121.76 116.41 1smy s ALA 562 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 1smy s ALA 562 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1smy s ALA 562 CO 0.00 -1.97 1.30 -1.25 0.00 0.00 0.00 175.76 173.83 1smy s PRO 563 N 2.30 4.30 0.09 0.00 0.04 -1.26 -4.92 135.00 135.55 1smy s PRO 563 Ca 0.13 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 1smy s PRO 563 Cb -0.09 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1smy s PRO 563 CO -0.18 -0.55 0.90 0.39 0.04 0.00 0.00 177.00 177.60 1smy n GLU 564 N 5.60 -0.24 -0.40 4.56 -0.58 -1.26 -1.61 120.64 126.72 1smy n GLU 564 Ca 0.12 0.89 -0.11 0.00 -0.42 0.00 0.00 57.16 57.64 1smy n GLU 564 Cb 0.45 -1.31 -0.09 0.00 -0.57 0.00 0.00 31.44 29.92 1smy n GLU 564 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1smy h ILE 565 N 0.00 0.00 -0.54 -3.67 5.03 -2.00 -0.64 117.51 115.69 1smy h ILE 565 Ca 0.09 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.80 1smy h ILE 565 Cb 0.23 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 33.99 1smy h ILE 565 CO -0.52 0.00 0.21 0.40 -0.68 0.00 0.00 178.15 177.57 1smy h ILE 566 N -0.03 1.20 0.31 -0.67 2.04 -1.70 0.12 117.51 118.78 1smy h ILE 566 Ca 0.16 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1smy h ILE 566 Cb 0.43 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1smy h ILE 566 CO -0.92 0.24 -0.15 0.40 0.00 0.00 0.00 178.15 177.73 1smy h ILE 567 N 0.77 0.72 0.22 -0.67 2.04 -0.93 -2.32 117.51 117.34 1smy h ILE 567 Ca 0.19 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1smy h ILE 567 Cb 0.16 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1smy h ILE 567 CO -0.02 0.06 -0.13 -0.09 0.00 0.00 0.00 178.15 177.98 1smy h ARG 568 N -0.56 -0.32 -1.12 2.37 9.65 -1.17 -0.29 114.38 122.95 1smy h ARG 568 Ca -0.04 0.02 0.32 0.00 -1.10 0.00 0.00 59.98 59.18 1smy h ARG 568 Cb 0.41 0.07 -0.11 0.00 -1.39 0.00 0.00 29.97 28.96 1smy h ARG 568 CO 0.07 -0.21 0.71 -0.97 2.80 0.00 0.00 179.97 182.37 1smy h ASN 569 N -0.33 0.39 0.03 -3.80 -0.00 -0.74 0.43 115.58 111.56 1smy h ASN 569 Ca -0.02 0.10 -0.00 0.00 -0.00 0.00 0.00 56.30 56.38 1smy h ASN 569 Cb 0.27 0.05 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 1smy h ASN 569 CO 0.03 -0.00 -0.02 -0.08 -0.00 0.00 0.00 177.43 177.36 1smy h GLU 570 N 0.30 -0.04 -1.12 6.67 4.57 -0.93 -2.92 114.58 121.10 1smy h GLU 570 Ca 0.67 0.00 0.32 0.00 -1.18 0.00 0.00 59.36 59.17 1smy h GLU 570 Cb 1.82 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 30.36 1smy h GLU 570 CO -0.35 0.62 0.79 0.87 -1.18 0.00 0.00 179.01 179.77 1smy h LYS 571 N -0.93 0.06 0.59 1.92 1.57 0.93 0.93 116.57 121.64 1smy h LYS 571 Ca -0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1smy h LYS 571 Cb 0.68 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.98 1smy h LYS 571 CO 0.01 0.04 -0.28 -0.09 -0.57 0.00 0.00 179.45 178.55 1smy h ARG 572 N 0.06 -0.76 -0.62 3.15 2.43 -0.32 0.69 114.38 119.00 1smy h ARG 572 Ca 0.55 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.90 1smy h ARG 572 Cb 2.06 0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 31.68 1smy h ARG 572 CO -0.05 -0.51 0.02 0.52 -1.51 0.00 0.00 179.97 178.44 1smy h MET 573 N -0.90 0.13 -0.67 0.20 2.86 0.02 0.17 114.93 116.74 1smy h MET 573 Ca -0.08 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1smy h MET 573 Cb 0.61 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.17 1smy h MET 573 CO 0.13 0.09 0.34 1.25 1.06 0.00 0.00 176.91 179.77 1smy h LEU 574 N 0.13 0.45 0.70 1.22 5.85 0.64 0.27 115.31 124.58 1smy h LEU 574 Ca 0.33 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1smy h LEU 574 Cb 0.53 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1smy h LEU 574 CO -0.52 0.28 -0.37 -0.61 -0.34 0.00 0.00 178.44 176.87 1smy h GLN 575 N 0.60 -0.95 -0.98 1.25 5.75 0.17 -1.24 115.11 119.70 1smy h GLN 575 Ca 0.32 0.06 0.18 0.00 -0.15 0.00 0.00 58.65 59.07 1smy h GLN 575 Cb 0.29 0.22 -0.11 0.00 1.07 0.00 0.00 27.48 28.96 1smy h GLN 575 CO -0.24 -0.63 0.58 1.49 -2.65 0.00 0.00 178.83 177.38 1smy h GLU 576 N -0.99 0.72 -0.20 1.69 4.22 -0.49 0.56 114.58 120.09 1smy h GLU 576 Ca -0.09 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.31 1smy h GLU 576 Cb 0.77 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1smy h GLU 576 CO 0.13 0.48 0.13 0.00 -2.18 0.00 0.00 179.01 177.57 1smy h ALA 577 N 1.63 0.25 -0.00 2.92 0.00 -0.15 -0.72 119.26 123.20 1smy h ALA 577 Ca 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1smy h ALA 577 Cb 0.86 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1smy h ALA 577 CO -0.38 -0.28 -0.07 0.28 0.00 0.00 0.00 179.25 178.81 1smy h VAL 578 N 0.26 1.05 -0.33 0.00 2.07 0.28 -0.46 116.25 119.13 1smy h VAL 578 Ca 0.08 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1smy h VAL 578 Cb -0.02 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1smy h VAL 578 CO -0.02 0.07 -0.12 0.44 0.02 0.00 0.00 177.57 177.95 1smy h ASP 579 N 0.00 0.68 -0.17 0.57 3.32 -0.40 -3.15 116.42 117.27 1smy h ASP 579 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.68 1smy h ASP 579 Cb 0.12 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1smy h ASP 579 CO 0.01 0.91 -0.20 0.00 -1.72 0.00 0.00 179.24 178.24 1smy h ALA 580 N 0.79 -0.43 -0.33 3.45 0.00 0.38 0.90 119.26 124.01 1smy h ALA 580 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1smy h ALA 580 Cb 0.64 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1smy h ALA 580 CO 0.04 -0.54 0.01 1.37 0.00 0.00 0.00 179.25 180.14 1smy h LEU 581 N -0.12 0.47 0.74 0.00 -0.00 -1.67 -3.02 115.31 111.71 1smy h LEU 581 Ca 0.03 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.79 1smy h LEU 581 Cb 0.20 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 40.75 1smy h LEU 581 CO -0.23 0.53 -0.36 -0.07 -0.00 0.00 0.00 178.44 178.31 1smy h LEU 582 N 0.49 -0.85 -6.00 0.17 3.38 -1.33 0.13 115.31 111.30 1smy h LEU 582 Ca 0.11 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1smy h LEU 582 Cb 0.30 0.22 -0.21 0.00 0.09 0.00 0.00 40.66 41.06 1smy h LEU 582 CO 0.01 -0.48 -0.28 -1.81 0.09 0.00 0.00 178.44 175.96 1smy s ASP 583 N -4.41 -1.39 0.52 -0.43 1.01 0.31 -2.85 116.67 109.44 1smy s ASP 583 Ca -0.15 0.42 -0.15 0.00 0.71 0.00 0.00 52.55 53.37 1smy s ASP 583 Cb 0.02 1.98 -0.07 0.00 1.01 0.00 0.00 42.92 45.86 1smy s ASP 583 CO 0.47 -0.26 0.98 0.20 0.21 0.00 0.00 175.17 176.78 1smy s ASN 584 N 2.86 6.56 0.00 0.27 0.01 -1.15 -3.82 114.94 119.67 1smy s ASN 584 Ca 0.14 1.53 0.00 0.00 -0.71 0.00 0.00 52.86 53.82 1smy s ASN 584 Cb -0.11 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1smy s ASN 584 CO -0.23 -0.62 0.00 0.61 -1.51 0.00 0.00 177.10 175.35 1smy n GLY 585 N -1.74 1.59 0.04 0.66 0.00 -0.12 -4.87 105.19 100.75 1smy n GLY 585 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1smy n GLY 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smy n ARG 586 N -2.00 0.33 0.00 1.61 1.74 -1.25 -4.20 116.66 112.89 1smy n ARG 586 Ca 0.00 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1smy n ARG 586 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1smy n ARG 586 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1smy n ARG 587 N -1.26 0.99 0.00 5.56 0.63 -1.26 -5.12 116.66 116.20 1smy n ARG 587 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1smy n ARG 587 Cb 0.30 -0.08 0.00 0.00 0.45 0.00 0.00 32.46 33.13 1smy n ARG 587 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1smy n GLY 588 N 0.00 0.58 3.10 5.14 0.00 -1.26 -5.13 105.19 107.63 1smy n GLY 588 Ca 0.00 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1smy n GLY 588 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy s ALA 589 N -2.00 2.72 0.34 4.61 0.00 -1.26 -0.95 121.76 125.22 1smy s ALA 589 Ca 0.00 -1.90 -0.27 0.00 0.00 0.00 0.00 51.96 49.80 1smy s ALA 589 Cb 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.23 1smy s ALA 589 CO 0.00 -1.31 1.08 -2.14 0.00 0.00 0.00 175.76 173.39 1smy s PRO 590 N 1.13 4.40 0.04 0.00 0.02 -1.26 -5.01 135.00 134.31 1smy s PRO 590 Ca -0.04 1.68 0.03 0.00 0.02 0.00 0.00 61.00 62.69 1smy s PRO 590 Cb -0.20 -2.88 -0.02 0.00 0.02 0.00 0.00 34.50 31.42 1smy s PRO 590 CO -0.04 0.03 -0.10 0.08 -0.33 0.00 0.00 177.00 176.64 1smy s VAL 591 N -1.39 0.77 0.50 3.83 1.01 -1.26 -3.48 120.40 120.37 1smy s VAL 591 Ca 0.51 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 1smy s VAL 591 Cb -0.28 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 1smy s VAL 591 CO 0.35 -0.15 1.26 -0.89 0.00 0.00 0.00 175.10 175.67 1smy s THR 592 N -0.97 2.61 0.40 3.92 2.01 -1.26 -4.90 115.64 117.44 1smy s THR 592 Ca -0.03 0.46 -0.22 0.00 0.31 0.00 0.00 61.69 62.20 1smy s THR 592 Cb -0.08 -3.23 -0.14 0.00 0.01 0.00 0.00 72.50 69.06 1smy s THR 592 CO 0.01 -0.00 0.34 0.59 -0.69 0.00 0.00 174.62 174.86 1smy n ASN 593 N -0.72 -1.81 -0.24 3.53 3.02 -1.26 -4.51 115.26 113.27 1smy n ASN 593 Ca 0.09 0.88 -0.03 0.00 -0.03 0.00 0.00 54.58 55.48 1smy n ASN 593 Cb 0.46 -1.00 -0.01 0.00 -0.61 0.00 0.00 39.78 38.63 1smy n ASN 593 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1smy n PRO 594 N 0.95 0.00 0.00 3.52 -0.02 -1.26 -4.09 135.00 134.10 1smy n PRO 594 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1smy n PRO 594 Cb 0.39 -0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 1smy n PRO 594 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 595 N 0.26 2.82 2.76 -1.23 0.00 -1.26 -5.07 105.19 103.47 1smy n GLY 595 Ca 0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 1smy n GLY 595 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1smy s SER 596 N 0.00 1.57 0.00 1.61 1.04 -1.26 -5.00 113.70 111.67 1smy s SER 596 Ca 0.00 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 55.85 1smy s SER 596 Cb 0.00 0.48 -0.11 0.00 0.10 0.00 0.00 66.02 66.49 1smy s SER 596 CO 0.00 -0.37 2.37 0.47 0.98 0.00 0.00 173.24 176.69 1smy n ASP 597 N 5.31 4.29 -4.80 7.02 8.00 -1.26 -4.07 116.55 131.05 1smy n ASP 597 Ca -0.03 -2.22 -0.37 0.00 0.71 0.00 0.00 54.79 52.87 1smy n ASP 597 Cb 0.47 -1.04 -0.06 0.00 -0.02 0.00 0.00 41.12 40.47 1smy n ASP 597 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1smy s ARG 598 N 0.90 4.34 -0.13 -1.24 3.52 -1.26 -5.01 118.95 120.07 1smy s ARG 598 Ca 0.29 0.94 -0.29 0.00 -0.13 0.00 0.00 55.73 56.53 1smy s ARG 598 Cb 0.14 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.48 1smy s ARG 598 CO 0.00 0.47 1.14 -2.14 -0.81 0.00 0.00 175.30 173.96 1smy s PRO 599 N -1.64 4.32 -0.45 5.12 0.02 -1.26 -4.17 135.00 136.95 1smy s PRO 599 Ca 0.39 1.54 -0.27 0.00 0.02 0.00 0.00 61.00 62.69 1smy s PRO 599 Cb -0.19 -3.62 -0.05 0.00 0.02 0.00 0.00 34.50 30.66 1smy s PRO 599 CO 0.22 -0.52 2.15 -0.51 -0.33 0.00 0.00 177.00 178.02 1smy s LEU 600 N 2.67 3.40 -0.53 -5.54 2.01 -1.23 -4.75 118.68 114.71 1smy s LEU 600 Ca 0.52 1.08 -0.12 0.00 0.01 0.00 0.00 54.13 55.61 1smy s LEU 600 Cb -0.21 -2.84 -0.14 0.00 0.01 0.00 0.00 46.19 43.01 1smy s LEU 600 CO 0.16 -2.42 1.33 -1.14 1.01 0.00 0.00 176.35 175.29 1smy n ARG 601 N 8.92 0.00 -1.03 1.70 3.00 -1.26 -4.82 116.66 123.17 1smy n ARG 601 Ca 0.29 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.83 1smy n ARG 601 Cb 0.51 -0.70 0.12 0.00 0.00 0.00 0.00 32.46 32.39 1smy n ARG 601 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1smy s SER 602 N 3.12 3.85 0.31 6.15 0.01 -1.26 -4.62 113.70 121.27 1smy s SER 602 Ca 0.71 1.98 0.08 0.00 1.31 0.00 0.00 55.95 60.04 1smy s SER 602 Cb -0.59 -2.54 0.87 0.00 0.21 0.00 0.00 66.02 63.97 1smy s SER 602 CO 0.27 -2.48 1.69 -0.07 0.41 0.00 0.00 173.24 173.07 1smy h LEU 603 N -1.42 0.46 -0.42 2.44 3.38 -0.68 0.39 115.31 119.46 1smy h LEU 603 Ca -0.43 0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.53 1smy h LEU 603 Cb 1.25 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1smy h LEU 603 CO 0.47 -0.02 -0.49 0.74 0.09 0.00 0.00 178.44 179.23 1smy h THR 604 N 0.42 1.29 -1.00 0.22 2.02 -1.77 -2.90 112.91 111.18 1smy h THR 604 Ca 0.63 -1.69 0.26 0.00 0.77 0.00 0.00 66.41 66.38 1smy h THR 604 Cb 1.27 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 69.21 1smy h THR 604 CO -0.54 0.55 0.67 0.44 0.37 0.00 0.00 175.52 177.01 1smy h ASP 605 N 0.61 0.31 1.12 4.18 5.19 -1.24 0.71 116.42 127.30 1smy h ASP 605 Ca 0.03 0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.39 1smy h ASP 605 Cb 1.07 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1smy h ASP 605 CO 0.11 0.08 -0.45 0.40 -3.12 0.00 0.00 179.24 176.26 1smy h ILE 606 N 0.28 0.89 0.00 0.35 2.04 -1.31 -0.80 117.51 118.97 1smy h ILE 606 Ca 0.53 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1smy h ILE 606 Cb 1.56 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1smy h ILE 606 CO -0.18 0.44 -0.02 -0.07 0.00 0.00 0.00 178.15 178.31 1smy h LEU 607 N 0.00 0.00 -0.69 1.44 3.38 0.38 -3.39 115.31 116.43 1smy h LEU 607 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1smy h LEU 607 Cb 1.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1smy h LEU 607 CO 0.06 0.07 0.37 0.77 0.09 0.00 0.00 178.44 179.80 1smy h SER 608 N -0.12 0.87 -1.67 -0.43 4.64 -1.23 -3.45 113.55 112.15 1smy h SER 608 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1smy h SER 608 Cb 0.02 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1smy h SER 608 CO 0.00 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1smy n GLY 609 N -1.06 0.89 0.33 -0.77 0.00 -0.32 -3.73 105.19 100.52 1smy n GLY 609 Ca 0.06 -0.52 0.22 0.00 0.00 0.00 0.00 46.02 45.78 1smy n GLY 609 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1smy h LYS 610 N 0.00 0.00 -0.50 1.61 3.64 -1.80 -2.00 116.57 117.51 1smy h LYS 610 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1smy h LYS 610 Cb 0.56 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.26 1smy h LYS 610 CO 0.00 0.00 0.11 1.04 -2.27 0.00 0.00 179.45 178.33 1smy n GLN 611 N -3.02 2.44 -1.06 1.90 3.00 -1.26 -4.88 117.38 114.50 1smy n GLN 611 Ca -0.03 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.89 1smy n GLN 611 Cb 0.07 -1.95 0.00 0.00 0.00 0.00 0.00 30.24 28.37 1smy n GLN 611 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1smy n GLY 612 N -0.84 0.66 0.13 1.08 0.00 -0.77 -4.96 105.19 100.49 1smy n GLY 612 Ca 0.36 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1smy n GLY 612 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1smy h ARG 613 N 0.00 0.31 -0.36 1.61 2.43 -1.82 -2.60 114.38 113.95 1smy h ARG 613 Ca 0.00 -0.40 -0.03 0.00 -0.81 0.00 0.00 59.98 58.74 1smy h ARG 613 Cb 0.33 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1smy h ARG 613 CO 0.00 1.11 0.10 0.35 -1.51 0.00 0.00 179.97 180.02 1smy h PHE 614 N 0.15 0.60 -0.63 2.20 3.57 -1.65 0.39 116.94 121.56 1smy h PHE 614 Ca -0.09 -0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.43 1smy h PHE 614 Cb 1.69 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 40.20 1smy h PHE 614 CO 0.05 0.59 0.27 0.00 -2.23 0.00 0.00 178.31 177.00 1smy h ARG 615 N 0.43 0.47 -0.33 1.11 2.47 -1.86 0.28 114.38 116.95 1smy h ARG 615 Ca 0.11 -0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.65 1smy h ARG 615 Cb 0.29 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1smy h ARG 615 CO -0.00 0.31 -0.41 0.37 0.56 0.00 0.00 179.97 180.80 1smy h GLN 616 N 0.48 0.81 0.79 0.04 4.15 -1.20 -0.61 115.11 119.57 1smy h GLN 616 Ca 0.31 -0.43 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 1smy h GLN 616 Cb 0.34 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1smy h GLN 616 CO -0.27 1.07 -0.44 -0.91 -1.93 0.00 0.00 178.83 176.34 1smy h ASN 617 N 0.66 -1.10 0.00 -0.69 2.35 0.87 -0.35 115.58 117.32 1smy h ASN 617 Ca 0.05 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1smy h ASN 617 Cb 0.98 0.31 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1smy h ASN 617 CO 0.09 -0.71 0.00 0.18 -1.65 0.00 0.00 177.43 175.35 1smy n LEU 618 N -5.27 0.00 0.08 1.61 4.77 -0.02 -1.46 117.00 116.71 1smy n LEU 618 Ca -0.14 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.96 1smy n LEU 618 Cb 0.47 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 42.01 1smy n LEU 618 CO 0.33 0.00 0.86 -0.11 -1.33 0.00 0.00 177.39 177.14 1smy n LEU 619 N -0.90 0.48 0.00 2.23 0.00 -0.16 -4.97 117.00 113.69 1smy n LEU 619 Ca 0.15 0.58 0.00 0.00 0.00 0.00 0.00 56.01 56.74 1smy n LEU 619 Cb 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 43.42 43.01 1smy n LEU 619 CO 0.11 -0.30 0.00 0.61 0.00 0.00 0.00 177.39 177.81 1smy n GLY 620 N 0.62 3.47 0.00 -3.96 0.00 -0.53 -5.03 105.19 99.76 1smy n GLY 620 Ca 0.04 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1smy n GLY 620 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1smy n LYS 621 N -1.07 2.68 -3.78 1.61 4.81 -1.26 -4.82 118.16 116.32 1smy n LYS 621 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1smy n LYS 621 Cb 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 34.88 1smy n LYS 621 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1smy s ARG 622 N 2.32 0.82 0.44 1.64 0.52 -1.26 -5.12 118.95 118.31 1smy s ARG 622 Ca 0.00 -0.26 -0.23 0.00 -0.52 0.00 0.00 55.73 54.72 1smy s ARG 622 Cb 0.00 -1.70 -0.08 0.00 0.52 0.00 0.00 34.95 33.69 1smy s ARG 622 CO 0.00 -0.48 1.13 0.08 0.02 0.00 0.00 175.30 176.06 1smy s VAL 623 N 1.85 3.29 -0.08 3.52 1.01 -1.26 -4.96 120.40 123.77 1smy s VAL 623 Ca 0.02 0.98 0.14 0.00 0.00 0.00 0.00 61.98 63.11 1smy s VAL 623 Cb -0.15 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 1smy s VAL 623 CO -0.07 -0.01 1.17 0.44 0.00 0.00 0.00 175.10 176.63 1smy h ASP 624 N 2.20 0.00 -2.23 3.32 3.32 -1.99 -3.39 116.42 117.64 1smy h ASP 624 Ca -0.49 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 55.95 1smy h ASP 624 Cb 1.24 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.37 1smy h ASP 624 CO 0.61 0.66 -0.52 -1.22 -1.72 0.00 0.00 179.24 177.05 1smy n TYR 625 N -3.14 3.62 -4.59 4.55 4.02 -1.26 -5.05 117.16 115.32 1smy n TYR 625 Ca -0.03 -4.06 -0.28 0.00 -0.01 0.00 0.00 57.90 53.52 1smy n TYR 625 Cb 0.83 -0.59 -0.08 0.00 -0.02 0.00 0.00 39.34 39.48 1smy n TYR 625 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1smy s SER 626 N -2.52 3.21 0.19 7.72 1.04 -1.26 -1.32 113.70 120.76 1smy s SER 626 Ca 0.40 -1.62 -0.24 0.00 0.48 0.00 0.00 55.95 54.97 1smy s SER 626 Cb 0.15 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.73 1smy s SER 626 CO -0.01 -0.85 0.90 -0.83 0.98 0.00 0.00 173.24 173.42 1smy s GLY 627 N -3.68 -0.20 -0.27 7.32 0.00 0.11 -4.88 107.32 105.72 1smy s GLY 627 Ca 0.20 0.01 -0.25 0.00 0.00 0.00 0.00 44.72 44.68 1smy s GLY 627 CO 0.11 -0.02 0.75 -1.60 0.00 0.00 0.00 173.10 172.34 1smy s ARG 628 N -3.45 0.81 0.10 2.90 3.52 -1.26 -0.98 118.95 120.58 1smy s ARG 628 Ca 0.12 0.94 -0.27 0.00 -0.13 0.00 0.00 55.73 56.40 1smy s ARG 628 Cb -0.03 0.40 0.08 0.00 -1.56 0.00 0.00 34.95 33.84 1smy s ARG 628 CO 0.03 -0.10 1.02 0.45 -0.81 0.00 0.00 175.30 175.89 1smy s SER 629 N 0.33 -0.17 0.77 -2.12 0.15 -1.08 -5.04 113.70 106.54 1smy s SER 629 Ca 0.00 -0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.23 1smy s SER 629 Cb -0.05 0.41 0.06 0.00 -1.71 0.00 0.00 66.02 64.73 1smy s SER 629 CO 0.00 -0.74 1.12 -0.69 1.20 0.00 0.00 173.24 174.13 1smy s VAL 630 N -3.09 2.95 0.13 4.45 1.01 -1.26 -2.77 120.40 121.82 1smy s VAL 630 Ca 0.12 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.54 1smy s VAL 630 Cb -0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1smy s VAL 630 CO -0.00 -0.36 -0.11 0.27 0.00 0.00 0.00 175.10 174.90 1smy s ILE 631 N -2.61 3.22 -0.14 2.22 -4.36 -1.18 -0.92 121.20 117.43 1smy s ILE 631 Ca 0.65 -1.44 -0.07 0.00 -0.26 0.00 0.00 60.65 59.53 1smy s ILE 631 Cb -0.20 -2.53 0.05 0.00 1.25 0.00 0.00 42.46 41.03 1smy s ILE 631 CO 0.51 0.04 0.33 -0.69 0.24 0.00 0.00 174.94 175.37 1smy s VAL 632 N -1.36 -0.05 0.19 8.37 1.01 0.67 -4.83 120.40 124.40 1smy s VAL 632 Ca 0.22 0.12 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1smy s VAL 632 Cb -0.10 -0.50 -0.16 0.00 0.00 0.00 0.00 36.38 35.62 1smy s VAL 632 CO 0.14 0.05 0.87 0.55 0.00 0.00 0.00 175.10 176.70 1smy n VAL 633 N 4.30 1.50 -3.18 2.92 3.14 -1.26 -2.67 118.33 123.08 1smy n VAL 633 Ca -0.24 -0.37 -0.27 0.00 -2.96 0.00 0.00 64.34 60.50 1smy n VAL 633 Cb 0.54 -0.46 -0.06 0.00 -1.06 0.00 0.00 33.84 32.79 1smy n VAL 633 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1smy n GLY 634 N 1.75 5.22 0.22 7.55 0.00 0.53 -4.74 105.19 115.71 1smy n GLY 634 Ca 0.15 -2.78 -0.06 0.00 0.00 0.00 0.00 46.02 43.33 1smy n GLY 634 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1smy n PRO 635 N 0.30 -0.23 0.26 1.61 -0.02 -1.26 0.22 135.00 135.88 1smy n PRO 635 Ca 0.30 0.87 0.15 0.00 -2.02 0.00 0.00 63.50 62.81 1smy n PRO 635 Cb 0.40 -1.29 0.60 0.00 -0.02 0.00 0.00 33.50 33.19 1smy n PRO 635 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1smy h GLN 636 N 0.00 0.00 -6.60 -0.52 1.08 -1.97 -3.45 115.11 103.65 1smy h GLN 636 Ca 0.08 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.72 1smy h GLN 636 Cb 0.21 0.00 0.19 0.00 -0.05 0.00 0.00 27.48 27.83 1smy h GLN 636 CO -0.49 0.05 -0.47 -0.11 -0.95 0.00 0.00 178.83 176.86 1smy n LEU 637 N -3.17 0.43 -4.68 1.46 7.94 0.13 -4.99 117.00 114.13 1smy n LEU 637 Ca 0.01 0.59 -0.31 0.00 -1.11 0.00 0.00 56.01 55.19 1smy n LEU 637 Cb 0.35 -1.18 -0.08 0.00 0.53 0.00 0.00 43.42 43.03 1smy n LEU 637 CO 0.29 -3.26 -0.33 -0.54 -1.11 0.00 0.00 177.39 172.43 1smy s LYS 638 N -2.61 2.58 0.27 1.96 1.02 -1.26 -4.96 119.74 116.74 1smy s LYS 638 Ca 0.65 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.79 1smy s LYS 638 Cb -0.36 -2.56 0.52 0.00 -0.52 0.00 0.00 37.83 34.91 1smy s LYS 638 CO 0.59 0.56 1.45 1.28 -0.92 0.00 0.00 175.35 178.31 1smy n LEU 639 N 0.73 -0.26 -0.31 3.17 4.77 -1.26 0.55 117.00 124.40 1smy n LEU 639 Ca -0.11 1.60 0.15 0.00 -0.03 0.00 0.00 56.01 57.61 1smy n LEU 639 Cb 0.52 -0.51 0.33 0.00 -2.33 0.00 0.00 43.42 41.43 1smy n LEU 639 CO 0.38 -1.56 1.00 -0.74 -1.33 0.00 0.00 177.39 175.14 1smy h HIS 640 N 0.00 0.53 -4.61 -1.77 2.76 -1.94 -3.41 115.15 106.71 1smy h HIS 640 Ca 0.48 0.05 -0.24 0.00 -2.20 0.00 0.00 60.37 58.46 1smy h HIS 640 Cb 0.84 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.68 1smy h HIS 640 CO -0.64 -0.17 -0.14 1.04 -1.30 0.00 0.00 177.93 176.72 1smy n GLN 641 N -5.15 1.31 -3.59 5.26 6.02 0.19 -2.41 117.38 119.00 1smy n GLN 641 Ca 0.24 -1.40 -0.12 0.00 -0.01 0.00 0.00 57.00 55.70 1smy n GLN 641 Cb 0.74 0.24 -0.06 0.00 1.02 0.00 0.00 30.24 32.18 1smy n GLN 641 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1smy s GLY 643 N -0.42 2.06 0.03 0.00 0.00 0.58 -2.51 107.32 107.06 1smy s GLY 643 Ca -0.02 -0.47 0.08 0.00 0.00 0.00 0.00 44.72 44.31 1smy s GLY 643 CO 0.01 0.98 -0.23 0.48 0.00 0.00 0.00 173.10 174.34 1smy s LEU 644 N 1.55 2.13 0.08 0.66 0.05 -1.24 0.21 118.68 122.12 1smy s LEU 644 Ca 0.22 -0.51 -0.30 0.00 0.05 0.00 0.00 54.13 53.58 1smy s LEU 644 Cb -0.15 -1.13 -0.09 0.00 -2.05 0.00 0.00 46.19 42.77 1smy s LEU 644 CO 0.09 0.23 1.90 -2.84 -0.55 0.00 0.00 176.35 175.17 1smy s PRO 645 N -1.00 4.14 0.31 1.48 0.02 -1.25 -0.51 135.00 138.19 1smy s PRO 645 Ca 0.09 2.60 0.07 0.00 0.02 0.00 0.00 61.00 63.77 1smy s PRO 645 Cb -0.09 -3.89 0.77 0.00 0.02 0.00 0.00 34.50 31.30 1smy s PRO 645 CO 0.01 -0.90 1.77 1.57 -0.33 0.00 0.00 177.00 179.12 1smy h LYS 646 N 9.64 0.71 -0.49 5.54 2.10 -1.31 0.20 116.57 132.97 1smy h LYS 646 Ca -0.48 -0.04 0.10 0.00 -2.00 0.00 0.00 60.65 58.23 1smy h LYS 646 Cb 1.23 -0.16 -0.08 0.00 -0.90 0.00 0.00 32.23 32.31 1smy h LYS 646 CO 0.94 0.47 -0.02 -0.09 -2.00 0.00 0.00 179.45 178.75 1smy h ARG 647 N 0.73 0.09 -0.60 0.07 9.65 -1.87 0.14 114.38 122.59 1smy h ARG 647 Ca 0.59 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 59.39 1smy h ARG 647 Cb 0.96 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.50 1smy h ARG 647 CO -0.40 0.06 0.06 1.98 2.80 0.00 0.00 179.97 184.48 1smy h MET 648 N 0.09 1.01 -0.76 0.20 4.05 -1.05 -2.97 114.93 115.51 1smy h MET 648 Ca 0.24 -0.29 0.14 0.00 -0.28 0.00 0.00 59.70 59.52 1smy h MET 648 Cb 0.37 -0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 30.97 1smy h MET 648 CO -0.42 0.97 0.30 0.00 0.23 0.00 0.00 176.91 177.98 1smy h ALA 649 N 1.00 1.06 -0.10 0.39 0.00 0.90 -1.34 119.26 121.18 1smy h ALA 649 Ca 0.18 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1smy h ALA 649 Cb 0.47 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1smy h ALA 649 CO 0.02 -0.22 -0.29 1.25 0.00 0.00 0.00 179.25 180.01 1smy h LEU 650 N 0.44 -0.88 0.86 0.00 5.85 -0.79 0.30 115.31 121.08 1smy h LEU 650 Ca 0.42 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 59.23 1smy h LEU 650 Cb 0.64 0.38 0.01 0.00 0.37 0.00 0.00 40.66 42.05 1smy h LEU 650 CO -0.41 -0.34 -0.41 -0.33 -0.34 0.00 0.00 178.44 176.61 1smy h GLU 651 N -0.37 -1.11 -0.09 1.25 4.39 -1.41 -1.13 114.58 116.11 1smy h GLU 651 Ca 0.09 0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.89 1smy h GLU 651 Cb 0.51 0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.36 1smy h GLU 651 CO -0.32 -0.73 -0.46 -0.07 -1.16 0.00 0.00 179.01 176.27 1smy h LEU 652 N -1.21 -1.47 -2.74 1.33 4.07 -1.07 -1.56 115.31 112.67 1smy h LEU 652 Ca -0.12 0.17 -0.19 0.00 0.08 0.00 0.00 57.88 57.83 1smy h LEU 652 Cb 0.89 0.57 -0.11 0.00 1.08 0.00 0.00 40.66 43.09 1smy h LEU 652 CO 0.19 -0.42 0.24 0.49 -1.08 0.00 0.00 178.44 177.86 1smy n PHE 653 N -5.01 1.23 0.16 1.13 3.01 0.10 -4.59 117.46 113.50 1smy n PHE 653 Ca -0.05 -0.97 -0.13 0.00 1.01 0.00 0.00 57.45 57.31 1smy n PHE 653 Cb 0.33 -0.51 -0.08 0.00 -0.01 0.00 0.00 39.48 39.21 1smy n PHE 653 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1smy h LYS 654 N 0.57 -0.66 -0.59 -1.08 3.64 -0.13 -0.35 116.57 117.97 1smy h LYS 654 Ca 0.23 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.77 1smy h LYS 654 Cb 1.70 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 33.55 1smy h LYS 654 CO 0.43 -0.44 -0.23 -1.35 -2.27 0.00 0.00 179.45 175.59 1smy h PRO 655 N -0.68 -0.08 -0.01 1.90 0.11 -1.84 0.27 132.00 131.67 1smy h PRO 655 Ca -0.03 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1smy h PRO 655 Cb 0.63 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 1smy h PRO 655 CO -0.13 -0.05 0.01 0.74 -0.21 0.00 0.00 178.00 178.36 1smy h PHE 656 N -0.08 0.00 -0.07 0.65 -1.00 -1.86 -2.21 116.94 112.37 1smy h PHE 656 Ca 0.27 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.94 1smy h PHE 656 Cb 0.50 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.07 1smy h PHE 656 CO -0.55 0.00 -0.38 1.25 -1.61 0.00 0.00 178.31 177.02 1smy h LEU 657 N 0.00 0.45 -0.17 1.54 5.85 0.12 -2.94 115.31 120.17 1smy h LEU 657 Ca 0.01 -0.66 0.05 0.00 0.84 0.00 0.00 57.88 58.12 1smy h LEU 657 Cb 0.02 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1smy h LEU 657 CO -0.00 1.04 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.79 1smy h LEU 658 N -0.11 -0.88 -0.73 2.25 3.38 -0.34 0.96 115.31 119.85 1smy h LEU 658 Ca -0.03 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1smy h LEU 658 Cb 1.03 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 1smy h LEU 658 CO 0.08 -0.32 0.42 0.50 0.09 0.00 0.00 178.44 179.20 1smy h LYS 659 N -0.33 1.00 -0.22 1.13 3.11 -1.61 -1.02 116.57 118.63 1smy h LYS 659 Ca 0.11 -0.11 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1smy h LYS 659 Cb 0.50 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 1smy h LYS 659 CO -0.36 0.73 0.13 -0.22 -2.81 0.00 0.00 179.45 176.93 1smy h LYS 660 N 1.00 0.29 -0.03 1.90 1.63 -1.14 -0.15 116.57 120.07 1smy h LYS 660 Ca 0.26 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1smy h LYS 660 Cb 0.01 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1smy h LYS 660 CO -0.04 0.21 0.02 0.52 -3.45 0.00 0.00 179.45 176.70 1smy h MET 661 N 0.30 0.04 -0.91 1.90 2.86 0.46 -1.49 114.93 118.10 1smy h MET 661 Ca 0.08 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1smy h MET 661 Cb -0.01 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 1smy h MET 661 CO -0.02 0.12 0.60 1.49 1.06 0.00 0.00 176.91 180.16 1smy h GLU 662 N -0.05 1.08 -0.95 1.72 4.22 -0.65 -0.76 114.58 119.20 1smy h GLU 662 Ca 0.01 -0.07 0.12 0.00 0.08 0.00 0.00 59.36 59.51 1smy h GLU 662 Cb 0.09 -0.24 -0.09 0.00 0.50 0.00 0.00 28.75 29.01 1smy h GLU 662 CO -0.00 0.72 0.58 0.93 -2.18 0.00 0.00 179.01 179.05 1smy h GLU 663 N 1.12 0.87 0.00 1.92 4.39 -0.46 -3.42 114.58 119.00 1smy h GLU 663 Ca 0.37 -0.05 -0.47 0.00 0.34 0.00 0.00 59.36 59.54 1smy h GLU 663 Cb 0.06 -0.20 0.05 0.00 -0.10 0.00 0.00 28.75 28.57 1smy h GLU 663 CO -0.12 0.57 0.01 1.63 -1.16 0.00 0.00 179.01 179.94 1smy n LYS 664 N -4.68 0.30 0.05 2.33 5.02 -0.29 -4.99 118.16 115.89 1smy n LYS 664 Ca 0.18 -2.95 0.13 0.00 -2.02 0.00 0.00 58.31 53.65 1smy n LYS 664 Cb 0.37 -0.42 0.50 0.00 -0.02 0.00 0.00 35.03 35.46 1smy n LYS 664 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1smy n GLY 665 N -2.31 -1.50 0.34 0.72 0.00 -1.26 -4.13 105.19 97.06 1smy n GLY 665 Ca 0.16 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1smy n GLY 665 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1smy n ILE 666 N -1.84 -0.40 -4.03 -0.61 5.41 -1.24 -4.59 119.36 112.05 1smy n ILE 666 Ca 0.06 2.17 -0.09 0.00 1.00 0.00 0.00 62.75 65.89 1smy n ILE 666 Cb 0.35 -3.05 -0.11 0.00 -0.71 0.00 0.00 39.64 36.12 1smy n ILE 666 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1smy s ALA 667 N -6.13 0.34 0.02 -1.39 0.00 -1.21 -5.00 121.76 108.39 1smy s ALA 667 Ca -0.14 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 50.78 1smy s ALA 667 Cb 0.27 0.18 -0.23 0.00 0.00 0.00 0.00 23.12 23.34 1smy s ALA 667 CO 0.75 -0.22 1.13 -1.35 0.00 0.00 0.00 175.76 176.07 1smy h PRO 668 N 4.04 0.48 -4.09 0.00 0.11 -1.89 -3.36 132.00 127.28 1smy h PRO 668 Ca -0.33 -0.49 -0.29 0.00 0.11 0.00 0.00 66.00 65.00 1smy h PRO 668 Cb 1.18 0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.36 1smy h PRO 668 CO 0.51 1.14 -0.15 0.54 -0.21 0.00 0.00 178.00 179.82 1smy s ASN 669 N -6.83 1.01 0.00 -2.05 4.22 -1.26 -4.86 114.94 105.17 1smy s ASN 669 Ca -0.13 -1.53 0.00 0.00 -2.14 0.00 0.00 52.86 49.06 1smy s ASN 669 Cb 0.04 0.70 0.00 0.00 1.28 0.00 0.00 41.25 43.27 1smy s ASN 669 CO 0.84 -1.36 0.95 0.52 -2.04 0.00 0.00 177.10 176.01 1smy n VAL 670 N -0.60 0.00 -0.38 3.54 0.31 -1.26 -0.39 118.33 119.55 1smy n VAL 670 Ca 0.01 1.45 0.30 0.00 -0.01 0.00 0.00 64.34 66.09 1smy n VAL 670 Cb 0.61 -2.25 0.58 0.00 -0.91 0.00 0.00 33.84 31.87 1smy n VAL 670 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1smy h LYS 671 N 0.00 0.23 0.66 5.55 1.79 -1.99 0.26 116.57 123.07 1smy h LYS 671 Ca 0.00 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1smy h LYS 671 Cb 0.00 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1smy h LYS 671 CO 0.00 0.15 -0.31 0.00 -1.08 0.00 0.00 179.45 178.21 1smy h ALA 672 N 1.61 -1.01 -1.07 3.86 0.00 -1.85 -2.56 119.26 118.24 1smy h ALA 672 Ca 0.70 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.71 1smy h ALA 672 Cb 2.03 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 20.06 1smy h ALA 672 CO -0.35 -0.95 0.69 0.00 0.00 0.00 0.00 179.25 178.63 1smy h ALA 673 N -1.41 2.27 0.57 0.00 0.00 0.23 0.71 119.26 121.63 1smy h ALA 673 Ca -0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1smy h ALA 673 Cb 0.67 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1smy h ALA 673 CO 0.15 -0.71 -0.27 0.00 0.00 0.00 0.00 179.25 178.42 1smy h ARG 674 N 0.36 -0.73 -0.95 0.00 3.08 -0.67 -2.57 114.38 112.90 1smy h ARG 674 Ca 0.63 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.84 1smy h ARG 674 Cb 1.63 0.17 -0.07 0.00 0.08 0.00 0.00 29.97 31.77 1smy h ARG 674 CO -0.32 -0.43 0.60 0.00 -1.07 0.00 0.00 179.97 178.75 1smy h ARG 675 N -1.05 0.88 -0.65 0.04 3.08 -0.88 0.38 114.38 116.19 1smy h ARG 675 Ca -0.08 -0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.09 1smy h ARG 675 Cb 0.65 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1smy h ARG 675 CO 0.13 0.58 0.46 1.98 -1.07 0.00 0.00 179.97 182.05 1smy h MET 676 N 0.91 0.13 -0.01 0.04 4.05 -0.75 -0.36 114.93 118.94 1smy h MET 676 Ca 0.46 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.87 1smy h MET 676 Cb 0.49 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1smy h MET 676 CO -0.22 0.09 -0.65 1.28 0.23 0.00 0.00 176.91 177.63 1smy n LEU 677 N -4.40 1.35 0.24 3.39 4.77 0.11 -4.24 117.00 118.23 1smy n LEU 677 Ca 0.12 -0.63 0.16 0.00 -0.03 0.00 0.00 56.01 55.64 1smy n LEU 677 Cb 0.63 0.00 0.87 0.00 -2.33 0.00 0.00 43.42 42.59 1smy n LEU 677 CO 0.36 0.28 1.14 1.05 -1.33 0.00 0.00 177.39 178.89 1smy h GLU 678 N 1.05 0.00 -5.40 3.23 4.11 0.10 -3.40 114.58 114.27 1smy h GLU 678 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.81 1smy h GLU 678 Cb 0.55 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.48 1smy h GLU 678 CO 0.00 0.00 -0.86 1.03 0.07 0.00 0.00 179.01 179.25 1smy s ARG 679 N -4.62 2.29 0.09 1.06 0.52 -1.26 -5.05 118.95 111.99 1smy s ARG 679 Ca -0.05 -0.73 -0.28 0.00 -0.52 0.00 0.00 55.73 54.15 1smy s ARG 679 Cb 0.15 -1.88 -0.11 0.00 0.52 0.00 0.00 34.95 33.63 1smy s ARG 679 CO 0.54 0.24 1.46 1.96 0.02 0.00 0.00 175.30 179.51 1smy h GLN 680 N 6.41 -0.50 0.00 3.54 4.20 -1.93 -1.42 115.11 125.42 1smy h GLN 680 Ca -0.29 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1smy h GLN 680 Cb 1.19 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1smy h GLN 680 CO 0.47 -0.33 0.06 2.89 -0.67 0.00 0.00 178.83 181.25 1smy n ARG 681 N -4.95 0.00 -0.97 1.46 1.85 -1.26 -2.64 116.66 110.14 1smy n ARG 681 Ca -0.06 0.30 -0.11 0.00 -1.00 0.00 0.00 57.85 56.99 1smy n ARG 681 Cb 0.32 -1.56 0.22 0.00 -1.05 0.00 0.00 32.46 30.39 1smy n ARG 681 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1smy n ASP 682 N -1.27 3.57 -4.29 2.89 4.64 -0.53 -4.94 116.55 116.61 1smy n ASP 682 Ca 0.00 -3.53 -0.35 0.00 -1.38 0.00 0.00 54.79 49.52 1smy n ASP 682 Cb 0.06 -0.73 -0.14 0.00 -1.04 0.00 0.00 41.12 39.28 1smy n ASP 682 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1smy s ILE 683 N -3.18 3.37 0.42 5.18 1.01 -1.08 -4.71 121.20 122.21 1smy s ILE 683 Ca 0.51 -0.62 -0.25 0.00 0.00 0.00 0.00 60.65 60.29 1smy s ILE 683 Cb 0.43 -2.60 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 1smy s ILE 683 CO 0.08 0.33 1.20 -0.54 0.00 0.00 0.00 174.94 176.00 1smy s LYS 684 N 1.45 3.96 0.53 2.79 1.02 -1.26 -4.89 119.74 123.34 1smy s LYS 684 Ca 0.04 1.90 0.32 0.00 0.02 0.00 0.00 55.97 58.25 1smy s LYS 684 Cb -0.15 -2.63 1.73 0.00 -0.52 0.00 0.00 37.83 36.25 1smy s LYS 684 CO -0.03 -0.42 1.96 -0.44 -0.92 0.00 0.00 175.35 175.50 1smy h ASP 685 N 2.50 0.00 0.18 2.83 5.19 -2.02 -1.41 116.42 123.69 1smy h ASP 685 Ca -0.49 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.90 1smy h ASP 685 Cb 1.24 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.75 1smy h ASP 685 CO 0.62 0.00 -0.11 -0.33 -3.12 0.00 0.00 179.24 176.30 1smy h GLU 686 N 0.00 0.00 -0.61 3.56 5.08 -2.00 -2.30 114.58 118.30 1smy h GLU 686 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1smy h GLU 686 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1smy h GLU 686 CO 0.00 0.11 0.13 0.28 -1.00 0.00 0.00 179.01 178.52 1smy h VAL 687 N 0.00 1.26 -0.74 3.13 2.07 -1.63 -2.13 116.25 118.21 1smy h VAL 687 Ca -0.00 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1smy h VAL 687 Cb 0.22 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1smy h VAL 687 CO 0.01 0.36 0.49 -0.50 0.02 0.00 0.00 177.57 177.95 1smy h TRP 688 N 0.91 0.77 0.00 1.57 -0.00 -1.59 0.68 115.95 118.28 1smy h TRP 688 Ca 0.19 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.10 1smy h TRP 688 Cb 0.39 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 29.30 1smy h TRP 688 CO 0.03 0.39 0.00 -0.44 -0.00 0.00 0.00 178.44 178.42 1smy h ASP 689 N 0.75 0.00 0.08 -3.49 3.32 -1.47 -1.62 116.42 113.99 1smy h ASP 689 Ca 0.32 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 1smy h ASP 689 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1smy h ASP 689 CO -0.11 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 177.37 1smy h ALA 690 N 2.09 -0.11 0.32 3.45 0.00 0.91 -2.97 119.26 122.95 1smy h ALA 690 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1smy h ALA 690 Cb 0.59 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1smy h ALA 690 CO 0.00 -0.14 -0.46 1.25 0.00 0.00 0.00 179.25 179.90 1smy h LEU 691 N -0.95 -1.29 -1.65 0.00 5.85 -0.96 -0.82 115.31 115.48 1smy h LEU 691 Ca -0.01 0.12 0.20 0.00 0.84 0.00 0.00 57.88 59.03 1smy h LEU 691 Cb 0.52 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1smy h LEU 691 CO 0.02 -0.57 0.75 -0.08 -0.34 0.00 0.00 178.44 178.22 1smy h GLU 692 N -0.83 0.00 0.18 1.25 4.22 -1.44 0.26 114.58 118.22 1smy h GLU 692 Ca -0.02 0.00 -0.35 0.00 0.08 0.00 0.00 59.36 59.06 1smy h GLU 692 Cb 0.77 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.02 1smy h GLU 692 CO -0.14 0.00 -1.79 1.49 -2.18 0.00 0.00 179.01 176.38 1smy h GLU 693 N 0.00 0.38 -0.01 1.92 4.81 -1.07 -3.24 114.58 117.36 1smy h GLU 693 Ca 0.33 -0.64 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1smy h GLU 693 Cb 1.83 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 31.45 1smy h GLU 693 CO -0.00 1.31 0.01 0.28 -0.73 0.00 0.00 179.01 179.87 1smy h VAL 694 N 0.10 1.08 -0.53 0.32 2.07 0.77 -2.86 116.25 117.20 1smy h VAL 694 Ca -0.36 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.01 1smy h VAL 694 Cb 2.09 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 33.04 1smy h VAL 694 CO 0.16 0.06 0.36 -0.29 0.02 0.00 0.00 177.57 177.88 1smy h ILE 695 N -0.08 0.92 -0.94 4.57 6.09 -1.27 -3.43 117.51 123.36 1smy h ILE 695 Ca 0.00 -0.13 -0.81 0.00 -1.37 0.00 0.00 64.86 62.55 1smy h ILE 695 Cb 0.10 0.51 0.01 0.00 0.47 0.00 0.00 36.82 37.92 1smy h ILE 695 CO -0.00 0.07 0.57 1.57 -3.07 0.00 0.00 178.15 177.28 1smy n HIS 696 N -4.47 1.50 0.00 2.19 -0.00 -1.08 -1.48 115.22 111.88 1smy n HIS 696 Ca 0.08 1.06 0.00 0.00 0.46 0.00 0.00 57.72 59.33 1smy n HIS 696 Cb 0.33 -2.07 0.00 0.00 -0.12 0.00 0.00 29.99 28.13 1smy n HIS 696 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1smy n GLY 697 N 3.42 2.17 3.29 1.57 0.00 -1.26 -5.02 105.19 109.36 1smy n GLY 697 Ca 0.28 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1smy n GLY 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1smy n LYS 698 N 0.00 -0.47 -4.18 1.61 5.02 -0.55 -4.97 118.16 114.62 1smy n LYS 698 Ca 0.00 -0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.07 1smy n LYS 698 Cb 0.00 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.29 1smy n LYS 698 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1smy s VAL 699 N -2.27 0.44 0.42 -0.18 -7.23 -1.26 -4.41 120.40 105.91 1smy s VAL 699 Ca 0.52 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.83 1smy s VAL 699 Cb -0.17 -1.92 -0.07 0.00 0.56 0.00 0.00 36.38 34.79 1smy s VAL 699 CO 0.70 -0.64 0.02 0.68 -0.31 0.00 0.00 175.10 175.55 1smy s VAL 700 N -3.80 1.75 0.05 1.32 -7.23 0.21 -4.55 120.40 108.15 1smy s VAL 700 Ca 0.19 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 1smy s VAL 700 Cb 0.07 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1smy s VAL 700 CO -0.01 0.00 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.94 1smy s LEU 701 N -3.71 3.09 -0.03 1.32 1.02 -1.09 -1.79 118.68 117.48 1smy s LEU 701 Ca 0.30 -0.26 0.04 0.00 0.02 0.00 0.00 54.13 54.23 1smy s LEU 701 Cb 0.08 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.47 1smy s LEU 701 CO 0.15 0.23 -0.15 -0.76 0.02 0.00 0.00 176.35 175.84 1smy s LEU 702 N -1.76 1.93 0.23 1.79 1.02 -0.75 -2.31 118.68 118.83 1smy s LEU 702 Ca 0.19 -0.31 0.10 0.00 0.02 0.00 0.00 54.13 54.14 1smy s LEU 702 Cb -0.11 -0.86 -0.04 0.00 0.02 0.00 0.00 46.19 45.20 1smy s LEU 702 CO 0.10 0.15 -0.11 0.21 0.02 0.00 0.00 176.35 176.72 1smy s ASN 703 N -0.08 4.08 0.33 2.29 3.04 -0.99 -2.70 114.94 120.90 1smy s ASN 703 Ca -0.00 -0.73 0.09 0.00 0.04 0.00 0.00 52.86 52.26 1smy s ASN 703 Cb -0.09 -0.60 -0.06 0.00 -1.54 0.00 0.00 41.25 38.96 1smy s ASN 703 CO 0.01 0.07 -0.10 -0.60 -3.04 0.00 0.00 177.10 173.44 1smy s ARG 704 N -3.17 1.75 0.00 0.43 6.06 -1.18 -2.08 118.95 120.76 1smy s ARG 704 Ca 0.27 -1.89 0.00 0.00 -2.50 0.00 0.00 55.73 51.61 1smy s ARG 704 Cb -0.07 -1.60 0.00 0.00 0.06 0.00 0.00 34.95 33.34 1smy s ARG 704 CO 0.16 0.14 0.44 0.00 -2.50 0.00 0.00 175.30 173.53 1smy n ALA 705 N -0.73 0.00 -2.57 6.12 0.00 -1.26 -3.96 120.51 118.11 1smy n ALA 705 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1smy n ALA 705 Cb 0.63 0.12 -0.06 0.00 0.00 0.00 0.00 19.45 20.13 1smy n ALA 705 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1smy s PRO 706 N -0.87 3.64 -1.10 0.00 0.02 -1.26 -4.94 135.00 130.49 1smy s PRO 706 Ca 0.00 0.06 -0.22 0.00 0.02 0.00 0.00 61.00 60.86 1smy s PRO 706 Cb 0.00 -3.83 0.03 0.00 0.02 0.00 0.00 34.50 30.72 1smy s PRO 706 CO 0.00 -0.81 1.66 0.99 -0.33 0.00 0.00 177.00 178.51 1smy s THR 707 N 2.84 3.87 -0.11 0.99 2.01 -1.25 -4.78 115.64 119.20 1smy s THR 707 Ca 0.26 -1.07 -0.23 0.00 0.31 0.00 0.00 61.69 60.96 1smy s THR 707 Cb -0.14 -4.90 -0.27 0.00 0.01 0.00 0.00 72.50 67.20 1smy s THR 707 CO 0.16 -1.73 0.68 -0.07 -0.69 0.00 0.00 174.62 172.97 1smy h LEU 708 N 13.98 0.23 -9.49 4.42 3.38 -1.94 -3.48 115.31 122.40 1smy h LEU 708 Ca 0.26 -0.88 -0.56 0.00 0.09 0.00 0.00 57.88 56.79 1smy h LEU 708 Cb 0.96 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.50 1smy h LEU 708 CO 1.39 1.33 -0.57 -1.38 0.09 0.00 0.00 178.44 179.30 1smy s HIS 709 N -2.36 2.01 0.37 1.13 -3.43 -1.26 -4.61 115.29 107.14 1smy s HIS 709 Ca -0.19 -0.98 0.16 0.00 -0.80 0.00 0.00 55.06 53.25 1smy s HIS 709 Cb 0.01 -1.40 1.05 0.00 -1.43 0.00 0.00 32.58 30.81 1smy s HIS 709 CO 0.74 0.05 1.75 0.07 -2.00 0.00 0.00 174.74 175.34 1smy h ARG 710 N 1.85 0.43 0.00 -0.38 0.11 -1.94 0.24 114.38 114.68 1smy h ARG 710 Ca -0.41 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1smy h ARG 710 Cb 1.26 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1smy h ARG 710 CO 0.69 0.28 0.00 1.28 0.10 0.00 0.00 179.97 182.33 1smy n LEU 711 N -4.73 0.00 0.00 0.08 7.99 -1.26 -2.78 117.00 116.30 1smy n LEU 711 Ca 0.27 0.41 0.01 0.00 -0.01 0.00 0.00 56.01 56.68 1smy n LEU 711 Cb 0.86 -0.41 0.03 0.00 -0.11 0.00 0.00 43.42 43.80 1smy n LEU 711 CO 0.22 -0.24 0.39 0.61 -1.51 0.00 0.00 177.39 176.86 1smy n GLY 712 N -0.22 -0.26 2.74 -0.72 0.00 0.85 -4.06 105.19 103.52 1smy n GLY 712 Ca 0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1smy n GLY 712 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1smy s ILE 713 N -2.44 -0.01 0.10 -0.61 1.01 -1.12 -3.13 121.20 115.01 1smy s ILE 713 Ca 0.01 0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.95 1smy s ILE 713 Cb 0.01 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 1smy s ILE 713 CO 0.02 0.14 -0.06 -1.10 0.00 0.00 0.00 174.94 173.94 1smy s GLN 714 N 1.51 0.85 -0.02 2.79 -0.21 -1.10 -4.95 119.66 118.54 1smy s GLN 714 Ca -0.03 -1.35 -0.00 0.00 0.02 0.00 0.00 55.36 54.00 1smy s GLN 714 Cb -0.13 -0.18 -0.04 0.00 1.00 0.00 0.00 33.01 33.67 1smy s GLN 714 CO -0.03 -0.04 0.04 0.00 -2.12 0.00 0.00 175.29 173.15 1smy s ALA 715 N -3.65 3.44 0.12 6.09 0.00 -0.13 -1.81 121.76 125.82 1smy s ALA 715 Ca 0.13 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 1smy s ALA 715 Cb 0.06 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1smy s ALA 715 CO -0.04 0.66 0.25 -0.06 0.00 0.00 0.00 175.76 176.57 1smy s PHE 716 N -1.11 0.18 -0.25 0.00 0.40 -0.74 -0.83 117.98 115.63 1smy s PHE 716 Ca 0.20 -0.57 -0.19 0.00 -0.60 0.00 0.00 56.93 55.77 1smy s PHE 716 Cb -0.12 -0.01 -0.03 0.00 0.51 0.00 0.00 43.02 43.38 1smy s PHE 716 CO 0.11 -0.63 0.54 -0.65 0.70 0.00 0.00 175.22 175.29 1smy s GLN 717 N -3.89 4.10 0.76 0.44 -0.21 -1.01 -0.62 119.66 119.23 1smy s GLN 717 Ca 0.09 0.39 -0.13 0.00 0.02 0.00 0.00 55.36 55.73 1smy s GLN 717 Cb 0.04 -3.64 0.06 0.00 1.00 0.00 0.00 33.01 30.47 1smy s GLN 717 CO -0.07 -0.34 1.15 -2.14 -2.12 0.00 0.00 175.29 171.76 1smy s PRO 718 N 2.26 2.07 -0.37 2.91 0.02 -1.26 -2.75 135.00 137.89 1smy s PRO 718 Ca 0.23 1.50 0.01 0.00 0.02 0.00 0.00 61.00 62.76 1smy s PRO 718 Cb -0.16 -1.85 0.15 0.00 0.02 0.00 0.00 34.50 32.66 1smy s PRO 718 CO 0.09 -1.83 0.25 0.08 -0.33 0.00 0.00 177.00 175.26 1smy s VAL 719 N -2.42 0.17 0.09 3.83 1.01 -1.05 -4.89 120.40 117.15 1smy s VAL 719 Ca 0.68 -1.92 -0.34 0.00 0.00 0.00 0.00 61.98 60.41 1smy s VAL 719 Cb -0.23 -1.13 -0.18 0.00 0.00 0.00 0.00 36.38 34.84 1smy s VAL 719 CO 0.49 -1.04 0.80 0.18 0.00 0.00 0.00 175.10 175.53 1smy n LEU 720 N 3.75 -0.55 -3.99 3.92 4.32 -1.26 -3.60 117.00 119.60 1smy n LEU 720 Ca 0.16 1.11 -0.09 0.00 -0.02 0.00 0.00 56.01 57.18 1smy n LEU 720 Cb 0.40 -0.91 -0.10 0.00 -1.62 0.00 0.00 43.42 41.19 1smy n LEU 720 CO 0.12 -2.32 -0.32 0.68 -1.22 0.00 0.00 177.39 174.33 1smy s VAL 721 N -0.43 0.14 1.01 4.08 -7.23 0.34 -4.82 120.40 113.48 1smy s VAL 721 Ca 0.77 -1.14 -0.14 0.00 -1.81 0.00 0.00 61.98 59.66 1smy s VAL 721 Cb -1.09 -0.69 0.19 0.00 0.56 0.00 0.00 36.38 35.36 1smy s VAL 721 CO 0.55 -0.63 1.13 -1.61 -0.31 0.00 0.00 175.10 174.23 1smy s GLU 722 N -2.25 0.35 0.23 4.82 0.41 -1.26 -0.86 118.70 120.14 1smy s GLU 722 Ca -0.08 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 1smy s GLU 722 Cb -0.04 -1.75 0.00 0.00 -1.78 0.00 0.00 34.13 30.56 1smy s GLU 722 CO -0.04 -2.72 0.00 0.41 -0.49 0.00 0.00 175.26 172.42 1smy n GLY 723 N -1.69 -2.66 0.13 -1.39 0.00 -1.26 -4.78 105.19 93.54 1smy n GLY 723 Ca 0.08 -1.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 1smy n GLY 723 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1smy n GLN 724 N -0.22 0.61 -1.57 1.61 7.27 -1.26 -4.73 117.38 119.08 1smy n GLN 724 Ca 0.00 0.33 -0.35 0.00 0.07 0.00 0.00 57.00 57.05 1smy n GLN 724 Cb 0.00 -1.59 0.08 0.00 2.41 0.00 0.00 30.24 31.14 1smy n GLN 724 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1smy s SER 725 N -7.13 4.43 -0.14 1.69 1.04 -1.26 -4.67 113.70 107.66 1smy s SER 725 Ca -0.34 2.38 -0.07 0.00 0.48 0.00 0.00 55.95 58.41 1smy s SER 725 Cb 0.11 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 1smy s SER 725 CO 0.56 -2.11 0.10 -0.63 0.98 0.00 0.00 173.24 172.15 1smy s ILE 726 N -1.86 5.16 -0.35 -1.02 1.01 -0.10 -4.27 121.20 119.77 1smy s ILE 726 Ca 0.76 0.09 -0.12 0.00 0.00 0.00 0.00 60.65 61.38 1smy s ILE 726 Cb -0.30 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1smy s ILE 726 CO 0.43 0.56 0.21 -1.10 0.00 0.00 0.00 174.94 175.03 1smy s GLN 727 N -0.51 3.18 0.12 2.79 -0.21 0.56 -0.24 119.66 125.35 1smy s GLN 727 Ca 0.11 -0.85 0.04 0.00 0.02 0.00 0.00 55.36 54.69 1smy s GLN 727 Cb -0.12 -3.73 -0.04 0.00 1.00 0.00 0.00 33.01 30.12 1smy s GLN 727 CO 0.02 -0.55 0.11 -1.17 -2.12 0.00 0.00 175.29 171.58 1smy s LEU 728 N 1.63 3.82 0.33 2.90 2.96 -1.09 0.22 118.68 129.45 1smy s LEU 728 Ca 0.04 -0.06 -0.26 0.00 -0.22 0.00 0.00 54.13 53.63 1smy s LEU 728 Cb -0.18 -2.46 -0.10 0.00 0.50 0.00 0.00 46.19 43.95 1smy s LEU 728 CO 0.08 0.12 0.97 -2.28 -1.32 0.00 0.00 176.35 173.92 1smy s HIS 729 N -1.58 3.61 0.28 5.38 5.65 -1.26 -0.35 115.29 127.02 1smy s HIS 729 Ca 0.30 1.76 0.05 0.00 0.25 0.00 0.00 55.06 57.42 1smy s HIS 729 Cb -0.11 -2.98 0.41 0.00 -1.18 0.00 0.00 32.58 28.71 1smy s HIS 729 CO 0.23 0.02 1.67 -1.00 -0.65 0.00 0.00 174.74 175.01 1smy h PRO 730 N 3.10 0.28 -0.08 2.88 0.13 -1.92 -3.29 132.00 133.10 1smy h PRO 730 Ca -0.47 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1smy h PRO 730 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1smy h PRO 730 CO 0.65 0.66 0.05 -0.07 -0.23 0.00 0.00 178.00 179.05 1smy h LEU 731 N 0.23 0.09 0.00 1.56 3.38 -1.93 -1.34 115.31 117.30 1smy h LEU 731 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1smy h LEU 731 Cb 0.85 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1smy h LEU 731 CO 0.07 0.09 0.00 1.33 0.09 0.00 0.00 178.44 180.02 1smy n VAL 732 N -5.02 0.13 0.41 1.22 0.24 -1.25 -2.58 118.33 111.49 1smy n VAL 732 Ca -0.06 0.03 0.05 0.00 -2.04 0.00 0.00 64.34 62.32 1smy n VAL 732 Cb 0.04 -0.76 0.23 0.00 -1.47 0.00 0.00 33.84 31.88 1smy n VAL 732 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1smy h GLU 734 N 0.00 0.00 -0.01 0.00 4.57 -1.67 -3.26 114.58 114.21 1smy h GLU 734 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1smy h GLU 734 Cb 0.13 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1smy h GLU 734 CO 0.00 0.56 -0.41 0.00 -1.18 0.00 0.00 179.01 177.98 1smy h ALA 735 N -0.45 -0.84 -2.32 2.92 0.00 -1.65 -3.35 119.26 113.57 1smy h ALA 735 Ca -0.01 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 1smy h ALA 735 Cb 0.57 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1smy h ALA 735 CO -0.00 -0.96 0.59 -0.06 0.00 0.00 0.00 179.25 178.81 1smy s PHE 736 N -5.06 3.41 -1.08 0.00 0.40 -1.15 -4.81 117.98 109.69 1smy s PHE 736 Ca -0.12 1.44 -0.22 0.00 -0.60 0.00 0.00 56.93 57.43 1smy s PHE 736 Cb 0.05 -3.29 -0.09 0.00 0.51 0.00 0.00 43.02 40.20 1smy s PHE 736 CO 0.46 -0.70 1.92 -1.71 0.70 0.00 0.00 175.22 175.89 1smy n ASN 737 N 4.82 3.10 -4.02 1.36 5.15 -1.26 -4.66 115.26 119.74 1smy n ASN 737 Ca 0.09 -2.72 -0.26 0.00 -0.60 0.00 0.00 54.58 51.09 1smy n ASN 737 Cb 0.48 -1.55 -0.17 0.00 -0.53 0.00 0.00 39.78 38.01 1smy n ASN 737 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1smy s ALA 738 N 8.46 1.42 0.00 5.20 0.00 -1.23 -5.00 121.76 130.61 1smy s ALA 738 Ca 0.63 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1smy s ALA 738 Cb 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1smy s ALA 738 CO 0.12 -0.01 0.00 -0.40 0.00 0.00 0.00 175.76 175.47 1smy n ASP 739 N 4.08 0.26 -2.19 0.00 5.68 -1.26 -4.87 116.55 118.25 1smy n ASP 739 Ca -0.20 -0.66 -0.12 0.00 -0.50 0.00 0.00 54.79 53.31 1smy n ASP 739 Cb 0.51 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.54 1smy n ASP 739 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1smy n PHE 740 N -0.57 1.92 -0.27 2.11 0.99 -1.26 -4.47 117.46 115.91 1smy n PHE 740 Ca 0.00 -2.07 0.05 0.00 -0.00 0.00 0.00 57.45 55.43 1smy n PHE 740 Cb 0.00 -0.29 0.27 0.00 -1.00 0.00 0.00 39.48 38.47 1smy n PHE 740 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1smy n ASP 741 N -0.65 4.18 0.00 4.37 5.75 -1.26 -4.78 116.55 124.17 1smy n ASP 741 Ca 0.28 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 1smy n ASP 741 Cb 0.90 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1smy n ASP 741 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1smy n GLY 742 N 0.46 1.03 3.63 6.12 0.00 -1.26 -5.09 105.19 110.08 1smy n GLY 742 Ca 0.19 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.70 1smy n GLY 742 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smy n ASP 743 N 0.00 2.31 -4.57 1.61 10.43 -1.26 -4.75 116.55 120.31 1smy n ASP 743 Ca 0.00 1.09 -0.35 0.00 2.57 0.00 0.00 54.79 58.11 1smy n ASP 743 Cb 0.00 -1.27 -0.11 0.00 1.84 0.00 0.00 41.12 41.58 1smy n ASP 743 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1smy s GLN 744 N 1.21 3.86 0.36 -1.24 -0.21 -1.26 -3.08 119.66 119.30 1smy s GLN 744 Ca 0.85 -0.40 0.05 0.00 0.02 0.00 0.00 55.36 55.87 1smy s GLN 744 Cb -0.86 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 29.97 1smy s GLN 744 CO 0.46 0.19 0.52 -1.64 -2.12 0.00 0.00 175.29 172.70 1smy s MET 745 N 0.58 3.13 0.53 2.91 -1.94 -1.12 -4.51 119.30 118.89 1smy s MET 745 Ca 0.02 -0.83 0.04 0.00 -1.71 0.00 0.00 55.69 53.21 1smy s MET 745 Cb -0.13 -2.75 0.02 0.00 2.01 0.00 0.00 34.83 33.98 1smy s MET 745 CO 0.02 -0.00 0.26 0.00 -0.01 0.00 0.00 175.02 175.28 1smy s ALA 746 N -2.27 4.31 -0.27 3.03 0.00 -0.88 -2.62 121.76 123.05 1smy s ALA 746 Ca 0.45 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 51.25 1smy s ALA 746 Cb -0.10 -0.45 0.07 0.00 0.00 0.00 0.00 23.12 22.64 1smy s ALA 746 CO 0.33 -0.29 0.70 0.54 0.00 0.00 0.00 175.76 177.04 1smy s VAL 747 N -2.81 -0.00 0.37 0.00 0.11 -0.15 -2.35 120.40 115.57 1smy s VAL 747 Ca 0.24 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.37 1smy s VAL 747 Cb -0.01 -0.99 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 1smy s VAL 747 CO 0.15 0.00 -0.04 -1.00 -3.33 0.00 0.00 175.10 170.87 1smy s HIS 748 N 0.92 2.43 -0.15 1.54 3.76 -0.98 0.03 115.29 122.84 1smy s HIS 748 Ca -0.04 -0.60 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1smy s HIS 748 Cb -0.05 -1.55 0.01 0.00 1.11 0.00 0.00 32.58 32.11 1smy s HIS 748 CO -0.08 0.50 -0.20 0.08 -0.85 0.00 0.00 174.74 174.18 1smy s VAL 749 N -2.69 1.99 -0.23 -0.90 1.01 -0.44 -2.67 120.40 116.47 1smy s VAL 749 Ca 0.34 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 1smy s VAL 749 Cb 0.06 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1smy s VAL 749 CO 0.17 0.53 0.95 -2.16 0.00 0.00 0.00 175.10 174.59 1smy s PRO 750 N 1.04 4.23 -0.03 2.72 0.04 -1.26 -4.92 135.00 136.82 1smy s PRO 750 Ca -0.02 1.18 -0.02 0.00 0.04 0.00 0.00 61.00 62.19 1smy s PRO 750 Cb -0.14 -3.64 -0.01 0.00 0.04 0.00 0.00 34.50 30.75 1smy s PRO 750 CO -0.07 -0.57 -0.03 -0.07 0.04 0.00 0.00 177.00 176.30 1smy h LEU 751 N 9.29 0.00 -9.50 -3.56 3.38 -1.97 -3.41 115.31 109.53 1smy h LEU 751 Ca -0.21 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.16 1smy h LEU 751 Cb 1.08 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.93 1smy h LEU 751 CO 0.93 0.17 0.20 -0.24 0.09 0.00 0.00 178.44 179.59 1smy n SER 752 N -2.80 1.51 0.08 -0.43 2.88 -1.26 -4.74 113.62 108.85 1smy n SER 752 Ca -0.01 1.18 0.21 0.00 -1.33 0.00 0.00 58.87 58.91 1smy n SER 752 Cb 0.05 -1.31 0.73 0.00 -0.75 0.00 0.00 64.21 62.93 1smy n SER 752 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1smy h SER 753 N 2.21 0.00 0.16 -3.46 0.02 -1.99 0.06 113.55 110.55 1smy h SER 753 Ca -0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1smy h SER 753 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1smy h SER 753 CO 0.62 0.00 -0.08 0.15 -1.14 0.00 0.00 176.83 176.38 1smy h PHE 754 N 0.00 -0.20 -0.72 3.45 3.57 -1.99 -2.05 116.94 118.99 1smy h PHE 754 Ca 0.21 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.84 1smy h PHE 754 Cb 1.16 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.87 1smy h PHE 754 CO 0.00 0.23 0.26 0.00 -2.23 0.00 0.00 178.31 176.57 1smy h ALA 755 N -0.33 0.99 -0.77 2.41 0.00 -1.36 0.27 119.26 120.47 1smy h ALA 755 Ca -0.02 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1smy h ALA 755 Cb 0.52 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1smy h ALA 755 CO 0.04 -0.24 0.30 0.37 0.00 0.00 0.00 179.25 179.72 1smy h GLN 756 N 0.39 1.14 0.44 0.00 5.75 -1.38 0.12 115.11 121.57 1smy h GLN 756 Ca 0.40 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1smy h GLN 756 Cb 0.61 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1smy h GLN 756 CO -0.41 0.93 -0.37 0.00 -2.65 0.00 0.00 178.83 176.32 1smy h ALA 757 N 1.21 -1.09 -0.38 3.38 0.00 0.24 -1.75 119.26 120.87 1smy h ALA 757 Ca 0.26 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1smy h ALA 757 Cb 0.21 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1smy h ALA 757 CO -0.02 -1.09 0.12 1.05 0.00 0.00 0.00 179.25 179.31 1smy h GLU 758 N -0.79 0.27 -0.53 0.00 4.11 -1.08 -2.46 114.58 114.09 1smy h GLU 758 Ca -0.06 -0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.44 1smy h GLU 758 Cb 0.67 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 1smy h GLU 758 CO -0.01 0.18 -0.46 0.00 0.07 0.00 0.00 179.01 178.79 1smy h ALA 759 N 1.25 -0.42 -0.00 1.06 0.00 -0.46 0.25 119.26 120.94 1smy h ALA 759 Ca 0.17 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1smy h ALA 759 Cb 0.16 0.98 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1smy h ALA 759 CO -0.19 -0.87 -0.24 2.89 0.00 0.00 0.00 179.25 180.85 1smy n ARG 760 N -5.40 0.24 -0.08 0.00 1.85 -0.68 -1.10 116.66 111.48 1smy n ARG 760 Ca 0.00 -0.10 -0.11 0.00 -1.00 0.00 0.00 57.85 56.65 1smy n ARG 760 Cb 0.35 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.21 1smy n ARG 760 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1smy n ILE 761 N -1.29 1.46 0.25 8.89 5.41 -0.71 -4.21 119.36 129.16 1smy n ILE 761 Ca 0.09 0.11 0.07 0.00 1.00 0.00 0.00 62.75 64.02 1smy n ILE 761 Cb 0.32 -2.27 0.10 0.00 -0.71 0.00 0.00 39.64 37.09 1smy n ILE 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1smy n GLN 762 N -4.53 1.61 0.00 0.38 10.64 -0.01 -4.54 117.38 120.93 1smy n GLN 762 Ca -0.17 -1.62 0.00 0.00 -1.83 0.00 0.00 57.00 53.38 1smy n GLN 762 Cb 0.43 -1.28 0.00 0.00 -0.86 0.00 0.00 30.24 28.54 1smy n GLN 762 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 1smy n MET 763 N 0.72 -0.38 -1.04 2.61 1.56 -0.85 -4.97 117.12 114.77 1smy n MET 763 Ca 0.10 -0.22 -0.31 0.00 -0.27 0.00 0.00 57.70 57.00 1smy n MET 763 Cb 0.38 -0.71 0.12 0.00 2.15 0.00 0.00 33.22 35.16 1smy n MET 763 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 1smy s LEU 764 N -0.01 2.93 -0.03 -0.89 2.96 -0.26 -0.96 118.68 122.43 1smy s LEU 764 Ca 0.00 1.95 -0.23 0.00 -0.22 0.00 0.00 54.13 55.63 1smy s LEU 764 Cb 0.00 -4.52 -0.22 0.00 0.50 0.00 0.00 46.19 41.95 1smy s LEU 764 CO 0.00 -2.47 1.10 0.77 -1.32 0.00 0.00 176.35 174.42 1smy h SER 765 N -1.43 0.29 0.35 3.68 4.64 -1.29 -3.29 113.55 116.50 1smy h SER 765 Ca -0.44 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.17 1smy h SER 765 Cb 1.25 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1smy h SER 765 CO 0.48 0.97 0.00 0.00 -0.87 0.00 0.00 176.83 177.40 1smy n ALA 766 N -2.52 1.79 0.54 5.18 0.00 -1.26 -2.40 120.51 121.83 1smy n ALA 766 Ca -0.09 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1smy n ALA 766 Cb 0.50 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 1smy n ALA 766 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1smy n HIS 767 N -1.35 0.10 -3.35 0.00 8.25 -1.24 -4.56 115.22 113.07 1smy n HIS 767 Ca 0.06 0.03 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 1smy n HIS 767 Cb 0.14 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 30.87 1smy n HIS 767 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1smy n ASN 768 N -1.90 4.45 -0.04 0.41 5.03 -1.01 -4.81 115.26 117.39 1smy n ASN 768 Ca 0.01 -3.41 -0.15 0.00 0.87 0.00 0.00 54.58 51.89 1smy n ASN 768 Cb 0.44 -0.85 -0.13 0.00 -1.02 0.00 0.00 39.78 38.22 1smy n ASN 768 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1smy h LEU 769 N 4.66 0.11-10.01 3.41 3.38 -1.80 -3.47 115.31 111.58 1smy h LEU 769 Ca 0.20 -0.97 -0.47 0.00 0.09 0.00 0.00 57.88 56.73 1smy h LEU 769 Cb 0.66 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.39 1smy h LEU 769 CO 0.96 1.07 0.38 -0.76 0.09 0.00 0.00 178.44 180.19 1smy s LEU 770 N -8.18 4.02 0.28 1.67 1.43 -1.24 -1.68 118.68 114.97 1smy s LEU 770 Ca -0.18 1.91 -0.23 0.00 -1.03 0.00 0.00 54.13 54.61 1smy s LEU 770 Cb -0.02 -4.37 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 1smy s LEU 770 CO 0.72 -0.53 0.84 -0.55 0.23 0.00 0.00 176.35 177.06 1smy s SER 771 N -1.83 7.18 0.49 2.29 0.15 -0.67 -4.76 113.70 116.54 1smy s SER 771 Ca 0.61 1.62 0.28 0.00 0.70 0.00 0.00 55.95 59.17 1smy s SER 771 Cb -0.17 -2.50 1.02 0.00 -1.71 0.00 0.00 66.02 62.66 1smy s SER 771 CO 0.22 -0.03 1.86 -0.65 1.20 0.00 0.00 173.24 175.83 1smy h PRO 772 N 3.23 0.00 0.00 5.44 0.11 -1.89 -3.31 132.00 135.59 1smy h PRO 772 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1smy h PRO 772 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1smy h PRO 772 CO 0.65 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 1smy n ALA 773 N -2.14 -0.13 -2.57 -0.75 0.00 -1.26 -4.88 120.51 108.77 1smy n ALA 773 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 1smy n ALA 773 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 1smy n ALA 773 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1smy s SER 774 N -2.35 4.41 0.27 0.00 1.04 -1.24 -2.76 113.70 113.07 1smy s SER 774 Ca 0.00 -0.28 0.16 0.00 0.48 0.00 0.00 55.95 56.31 1smy s SER 774 Cb 0.00 -0.92 0.85 0.00 0.10 0.00 0.00 66.02 66.05 1smy s SER 774 CO 0.00 0.24 1.44 0.61 0.98 0.00 0.00 173.24 176.50 1smy n GLY 775 N 1.23 -0.72 3.46 7.32 0.00 -1.26 -3.51 105.19 111.72 1smy n GLY 775 Ca -0.15 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1smy n GLY 775 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1smy n GLU 776 N -2.06 0.34 -2.18 1.61 1.02 -1.26 -4.40 120.64 113.71 1smy n GLU 776 Ca -0.01 0.15 -0.41 0.00 -0.02 0.00 0.00 57.16 56.87 1smy n GLU 776 Cb 0.12 -1.80 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 1smy n GLU 776 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1smy s PRO 777 N -2.63 4.37 -0.10 3.49 0.02 -1.26 -1.67 135.00 137.21 1smy s PRO 777 Ca 0.66 2.10 0.06 0.00 0.02 0.00 0.00 61.00 63.85 1smy s PRO 777 Cb -0.37 -3.17 -0.24 0.00 0.02 0.00 0.00 34.50 30.74 1smy s PRO 777 CO 0.57 -0.28 0.43 -0.11 -0.33 0.00 0.00 177.00 177.28 1smy n LEU 778 N 2.49 1.50 -4.25 -5.54 7.94 -0.68 -4.66 117.00 113.79 1smy n LEU 778 Ca 0.06 0.26 -0.43 0.00 -1.11 0.00 0.00 56.01 54.78 1smy n LEU 778 Cb 0.42 -0.29 -0.04 0.00 0.53 0.00 0.00 43.42 44.05 1smy n LEU 778 CO 0.58 0.59 0.36 0.00 -1.11 0.00 0.00 177.39 177.82 1smy s ALA 779 N -2.57 4.04 0.28 1.96 0.00 -1.20 -4.59 121.76 119.68 1smy s ALA 779 Ca -0.13 -3.41 0.06 0.00 0.00 0.00 0.00 51.96 48.48 1smy s ALA 779 Cb 0.07 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 1smy s ALA 779 CO 0.79 -2.22 -0.04 -1.59 0.00 0.00 0.00 175.76 172.70 1smy s LYS 780 N -0.17 1.53 -0.30 0.00 -2.85 -1.26 -5.05 119.74 111.63 1smy s LYS 780 Ca 0.20 -1.78 -0.33 0.00 -1.00 0.00 0.00 55.97 53.06 1smy s LYS 780 Cb -0.12 -1.07 -0.09 0.00 -2.06 0.00 0.00 37.83 34.48 1smy s LYS 780 CO -0.08 0.01 2.19 -2.30 0.10 0.00 0.00 175.35 175.27 1smy n PRO 781 N -0.57 1.38 0.00 1.78 -0.02 -1.26 -4.89 135.00 131.43 1smy n PRO 781 Ca -0.05 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1smy n PRO 781 Cb 0.64 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1smy n PRO 781 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1smy n SER 782 N 10.35 0.00 0.00 2.55 7.64 -1.26 -4.58 113.62 128.33 1smy n SER 782 Ca 0.37 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1smy n SER 782 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1smy n SER 782 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1smy n ARG 783 N 0.00 0.00 0.47 1.43 5.12 -1.26 -4.26 116.66 118.15 1smy n ARG 783 Ca 0.00 0.41 -0.18 0.00 -1.93 0.00 0.00 57.85 56.14 1smy n ARG 783 Cb 0.00 -0.90 -0.09 0.00 -1.16 0.00 0.00 32.46 30.31 1smy n ARG 783 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 1smy h ASP 784 N 0.00 -1.01 -0.77 0.55 1.82 -1.94 -3.20 116.42 111.87 1smy h ASP 784 Ca 0.00 0.03 0.14 0.00 -0.39 0.00 0.00 57.03 56.82 1smy h ASP 784 Cb 0.00 0.26 -0.14 0.00 0.68 0.00 0.00 39.33 40.13 1smy h ASP 784 CO 0.00 -0.72 -0.23 -0.38 -1.61 0.00 0.00 179.24 176.30 1smy n ILE 785 N -5.25 -0.35 0.02 2.25 -0.00 -1.26 -0.30 119.36 114.47 1smy n ILE 785 Ca -0.15 1.77 -0.03 0.00 -0.00 0.00 0.00 62.75 64.35 1smy n ILE 785 Cb 0.47 -2.41 -0.02 0.00 -0.00 0.00 0.00 39.64 37.68 1smy n ILE 785 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1smy h ILE 786 N 0.00 0.00 -0.79 1.39 2.04 -1.74 0.25 117.51 118.66 1smy h ILE 786 Ca 0.33 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.48 1smy h ILE 786 Cb 0.52 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.46 1smy h ILE 786 CO -0.78 0.00 0.28 -0.11 0.00 0.00 0.00 178.15 177.54 1smy n LEU 787 N -2.92 0.14 0.00 1.44 7.94 0.60 0.56 117.00 124.76 1smy n LEU 787 Ca -0.02 1.33 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 1smy n LEU 787 Cb 0.07 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1smy n LEU 787 CO 0.03 -1.44 0.31 0.61 -1.11 0.00 0.00 177.39 175.80 1smy n GLY 788 N -1.28 -1.77 0.37 -3.96 0.00 -0.26 -2.21 105.19 96.10 1smy n GLY 788 Ca 0.26 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.40 1smy n GLY 788 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1smy h LEU 789 N 0.00 0.00 0.00 0.99 3.38 0.30 -0.29 115.31 119.69 1smy h LEU 789 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1smy h LEU 789 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1smy h LEU 789 CO 0.00 0.00 -0.27 0.22 0.09 0.00 0.00 178.44 178.48 1smy h TYR 790 N 0.00 0.00 -0.95 1.13 5.03 0.12 -3.25 116.97 119.05 1smy h TYR 790 Ca 0.11 0.00 0.22 0.00 2.58 0.00 0.00 58.73 61.63 1smy h TYR 790 Cb 1.65 0.00 -0.12 0.00 1.55 0.00 0.00 36.73 39.81 1smy h TYR 790 CO 0.00 0.59 0.51 -0.92 -1.32 0.00 0.00 178.16 177.01 1smy h TYR 791 N -1.00 0.87 -0.25 -3.82 3.20 -0.56 -1.07 116.97 114.34 1smy h TYR 791 Ca -0.05 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 1smy h TYR 791 Cb 0.63 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1smy h TYR 791 CO 0.08 0.06 0.01 0.97 -1.64 0.00 0.00 178.16 177.64 1smy h ILE 792 N 0.55 1.25 -3.37 1.81 2.10 -1.66 -3.36 117.51 114.83 1smy h ILE 792 Ca 0.58 -0.88 -0.77 0.00 1.08 0.00 0.00 64.86 64.87 1smy h ILE 792 Cb 1.05 1.35 -0.24 0.00 -1.09 0.00 0.00 36.82 37.89 1smy h ILE 792 CO -0.47 0.28 0.42 0.42 -1.08 0.00 0.00 178.15 177.72 1smy s THR 793 N -5.01 5.49 0.08 2.19 -4.23 -0.41 -4.04 115.64 109.71 1smy s THR 793 Ca -0.14 -2.53 -0.26 0.00 -1.18 0.00 0.00 61.69 57.58 1smy s THR 793 Cb 0.07 -4.59 0.07 0.00 1.34 0.00 0.00 72.50 69.39 1smy s THR 793 CO 0.74 -1.20 0.66 -1.58 -0.54 0.00 0.00 174.62 172.70 1smy s GLN 794 N 0.44 1.16 0.02 3.99 -0.44 -1.25 -3.95 119.66 119.63 1smy s GLN 794 Ca 0.26 -0.23 0.08 0.00 -2.50 0.00 0.00 55.36 52.97 1smy s GLN 794 Cb -0.08 0.54 -0.02 0.00 -1.64 0.00 0.00 33.01 31.80 1smy s GLN 794 CO -0.08 -0.47 -0.25 0.08 0.50 0.00 0.00 175.29 175.07 1smy s VAL 795 N -2.90 2.00 0.35 1.34 1.01 -1.25 -4.24 120.40 116.71 1smy s VAL 795 Ca -0.02 -1.24 0.07 0.00 0.00 0.00 0.00 61.98 60.79 1smy s VAL 795 Cb -0.01 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1smy s VAL 795 CO -0.06 0.41 0.43 0.00 0.00 0.00 0.00 175.10 175.88 1smy s ARG 796 N -1.00 2.94 -0.03 2.72 1.70 -1.07 -5.05 118.95 119.16 1smy s ARG 796 Ca 0.10 -1.15 -0.07 0.00 -0.47 0.00 0.00 55.73 54.14 1smy s ARG 796 Cb -0.10 -2.69 0.01 0.00 -0.57 0.00 0.00 34.95 31.60 1smy s ARG 796 CO 0.01 0.01 0.16 0.15 -1.08 0.00 0.00 175.30 174.55 1smy s LYS 797 N -4.15 0.36 0.15 3.89 1.02 -1.26 -4.82 119.74 114.94 1smy s LYS 797 Ca 0.45 -0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.39 1smy s LYS 797 Cb -0.08 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.37 1smy s LYS 797 CO 0.30 -0.07 0.10 -1.91 -0.92 0.00 0.00 175.35 172.85 1smy n GLU 798 N 2.18 0.35 -1.00 1.68 2.13 0.20 -5.02 120.64 121.15 1smy n GLU 798 Ca -0.18 -1.43 -0.39 0.00 0.66 0.00 0.00 57.16 55.82 1smy n GLU 798 Cb 0.57 1.06 -0.05 0.00 0.27 0.00 0.00 31.44 33.29 1smy n GLU 798 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1smy n LYS 799 N -0.30 0.00 -3.38 5.31 2.85 -1.26 -4.63 118.16 116.75 1smy n LYS 799 Ca 0.02 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.01 1smy n LYS 799 Cb 0.26 -0.97 -0.08 0.00 -0.65 0.00 0.00 35.03 33.59 1smy n LYS 799 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1smy n LYS 800 N 0.97 2.53 0.00 -1.58 4.81 -1.26 -4.32 118.16 119.31 1smy n LYS 800 Ca 0.13 -4.64 0.00 0.00 -0.87 0.00 0.00 58.31 52.93 1smy n LYS 800 Cb 0.07 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1smy n LYS 800 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1smy n GLY 801 N 0.77 -1.57 3.69 3.14 0.00 -1.26 -4.82 105.19 105.15 1smy n GLY 801 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 1smy n GLY 801 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy n ALA 802 N -3.00 0.71 -2.30 4.61 0.00 -1.26 -4.85 120.51 114.42 1smy n ALA 802 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 1smy n ALA 802 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.16 1smy n ALA 802 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1smy s GLY 803 N -1.43 0.80 -0.58 0.00 0.00 -1.26 -4.91 107.32 99.94 1smy s GLY 803 Ca 0.80 -2.32 -0.20 0.00 0.00 0.00 0.00 44.72 43.00 1smy s GLY 803 CO 0.43 3.16 0.73 0.48 0.00 0.00 0.00 173.10 177.90 1smy s LEU 804 N 7.83 5.10 -0.39 0.66 0.05 -1.26 -4.82 118.68 125.85 1smy s LEU 804 Ca 0.61 -1.21 0.10 0.00 0.05 0.00 0.00 54.13 53.68 1smy s LEU 804 Cb 0.00 -2.37 0.44 0.00 -2.05 0.00 0.00 46.19 42.21 1smy s LEU 804 CO 0.06 -1.12 1.05 -0.62 -0.55 0.00 0.00 176.35 175.18 1smy n GLU 805 N 6.53 2.51 -0.42 1.48 -0.58 -1.26 -3.59 120.64 125.32 1smy n GLU 805 Ca -0.08 -3.99 0.35 0.00 -0.42 0.00 0.00 57.16 53.02 1smy n GLU 805 Cb 0.44 -1.85 0.58 0.00 -0.57 0.00 0.00 31.44 30.04 1smy n GLU 805 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1smy n PHE 806 N -0.33 0.54 0.01 -0.32 7.35 -1.26 -3.77 117.46 119.68 1smy n PHE 806 Ca 0.27 0.54 0.00 0.00 -0.76 0.00 0.00 57.45 57.51 1smy n PHE 806 Cb 0.73 -0.96 0.01 0.00 0.35 0.00 0.00 39.48 39.61 1smy n PHE 806 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1smy n ALA 807 N -2.56 0.02 0.01 3.13 0.00 -1.26 -2.37 120.51 117.49 1smy n ALA 807 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1smy n ALA 807 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.80 1smy n ALA 807 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1smy n THR 808 N -0.86 0.16 -2.72 0.00 -1.04 -1.25 -5.00 114.28 103.58 1smy n THR 808 Ca 0.00 0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.74 1smy n THR 808 Cb 0.06 -1.22 -0.06 0.00 -1.82 0.00 0.00 70.33 67.30 1smy n THR 808 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1smy s PRO 809 N -2.00 4.08 0.27 -2.82 0.02 -1.00 -4.95 135.00 128.61 1smy s PRO 809 Ca 0.00 1.19 0.21 0.00 0.02 0.00 0.00 61.00 62.42 1smy s PRO 809 Cb 0.00 -2.15 0.10 0.00 0.02 0.00 0.00 34.50 32.47 1smy s PRO 809 CO 0.00 -0.16 1.24 0.93 -0.33 0.00 0.00 177.00 178.68 1smy h GLU 810 N 1.76 0.00 0.00 5.54 5.08 -1.99 -2.85 114.58 122.12 1smy h GLU 810 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1smy h GLU 810 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1smy h GLU 810 CO 0.60 0.11 -0.25 0.93 -1.00 0.00 0.00 179.01 179.40 1smy h GLU 811 N 0.00 0.00 0.00 2.33 5.08 -1.96 -2.59 114.58 117.44 1smy h GLU 811 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1smy h GLU 811 Cb 1.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1smy h GLU 811 CO 0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 177.92 1smy h ALA 812 N 2.29 0.93 0.04 3.43 0.00 -1.83 -2.18 119.26 121.93 1smy h ALA 812 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1smy h ALA 812 Cb 0.86 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1smy h ALA 812 CO 0.00 0.13 -0.95 1.37 0.00 0.00 0.00 179.25 179.81 1smy h LEU 813 N 0.00 0.12 0.54 0.00 8.10 -1.42 -3.24 115.31 119.41 1smy h LEU 813 Ca -0.00 -0.75 -0.03 0.00 0.11 0.00 0.00 57.88 57.21 1smy h LEU 813 Cb 1.05 -0.04 0.01 0.00 -0.44 0.00 0.00 40.66 41.24 1smy h LEU 813 CO 0.01 1.39 -0.26 0.00 -4.11 0.00 0.00 178.44 175.47 1smy h ALA 814 N -0.22 -1.05 0.24 0.17 0.00 -1.55 -2.07 119.26 114.78 1smy h ALA 814 Ca -0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1smy h ALA 814 Cb 1.36 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1smy h ALA 814 CO -0.07 -1.00 -0.24 0.00 0.00 0.00 0.00 179.25 177.94 1smy h ALA 815 N -1.58 -0.50 0.00 0.00 0.00 -1.62 -1.91 119.26 113.66 1smy h ALA 815 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1smy h ALA 815 Cb 0.56 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1smy h ALA 815 CO 0.12 -0.81 0.00 0.72 0.00 0.00 0.00 179.25 179.28 1smy n HIS 816 N -5.37 0.32 0.01 0.00 8.25 -1.22 -0.76 115.22 116.45 1smy n HIS 816 Ca -0.08 0.14 -0.08 0.00 -0.26 0.00 0.00 57.72 57.44 1smy n HIS 816 Cb 0.28 -0.72 -0.13 0.00 1.12 0.00 0.00 29.99 30.53 1smy n HIS 816 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1smy h GLU 817 N 0.00 0.00 0.15 -0.41 4.81 -0.62 -3.13 114.58 115.39 1smy h GLU 817 Ca 0.00 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 58.97 1smy h GLU 817 Cb 0.18 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.59 1smy h GLU 817 CO 0.00 0.71 -1.08 0.00 -0.73 0.00 0.00 179.01 177.91 1smy h ARG 818 N 0.00 0.46 -0.18 1.92 3.08 -0.73 -3.00 114.38 115.94 1smy h ARG 818 Ca -0.17 -0.70 0.05 0.00 0.07 0.00 0.00 59.98 59.23 1smy h ARG 818 Cb 1.91 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 32.20 1smy h ARG 818 CO 0.10 1.32 0.14 0.78 -1.07 0.00 0.00 179.97 181.23 1smy h GLY 819 N -0.04 0.00 0.63 0.04 0.00 -1.06 0.91 103.07 103.55 1smy h GLY 819 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1smy h GLY 819 CO 0.20 0.00 -0.13 -2.09 0.00 0.00 0.00 176.54 174.53 1smy h GLU 820 N 0.00 0.23 0.00 4.80 4.22 -1.58 -1.96 114.58 120.29 1smy h GLU 820 Ca 0.09 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 1smy h GLU 820 Cb 0.36 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1smy h GLU 820 CO -0.00 0.71 -0.01 0.28 -2.18 0.00 0.00 179.01 177.81 1smy h VAL 821 N -0.23 0.39 0.00 0.32 2.07 -0.70 -3.39 116.25 114.71 1smy h VAL 821 Ca 0.01 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1smy h VAL 821 Cb 0.69 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1smy h VAL 821 CO 0.03 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1smy n ALA 822 N -2.26 0.00 -0.85 1.67 0.00 0.29 -5.00 120.51 114.36 1smy n ALA 822 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1smy n ALA 822 Cb 0.09 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.66 1smy n ALA 822 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1smy n LEU 823 N 0.00 2.40 0.00 0.00 4.77 -1.18 -4.92 117.00 118.07 1smy n LEU 823 Ca 0.00 -2.86 0.00 0.00 -0.03 0.00 0.00 56.01 53.12 1smy n LEU 823 Cb 0.00 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1smy n LEU 823 CO 0.00 0.67 0.00 0.59 -1.33 0.00 0.00 177.39 177.32 1smy n ASN 824 N -1.17 0.00 -4.68 -1.43 3.02 -0.91 -4.97 115.26 105.13 1smy n ASN 824 Ca 0.13 0.00 -0.48 0.00 -0.03 0.00 0.00 54.58 54.21 1smy n ASN 824 Cb 0.58 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.71 1smy n ASN 824 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1smy n ALA 825 N -3.00 0.96 -2.00 5.41 0.00 -1.19 -4.82 120.51 115.87 1smy n ALA 825 Ca 0.00 0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.53 1smy n ALA 825 Cb 0.00 -2.50 0.17 0.00 0.00 0.00 0.00 19.45 17.12 1smy n ALA 825 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1smy n PRO 826 N 6.48 -0.97 0.22 0.00 -0.02 -1.26 -3.76 135.00 135.69 1smy n PRO 826 Ca 0.22 -2.03 0.10 0.00 -2.02 0.00 0.00 63.50 59.78 1smy n PRO 826 Cb 0.30 -1.13 0.38 0.00 -0.02 0.00 0.00 33.50 33.03 1smy n PRO 826 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1smy h ILE 827 N -1.49 0.41 -2.69 4.25 2.04 -1.94 -3.37 117.51 114.72 1smy h ILE 827 Ca -0.38 -1.17 -0.60 0.00 1.00 0.00 0.00 64.86 63.71 1smy h ILE 827 Cb 1.10 1.86 -0.40 0.00 -0.74 0.00 0.00 36.82 38.65 1smy h ILE 827 CO 0.29 0.19 -0.81 -1.59 0.00 0.00 0.00 178.15 176.23 1smy s LYS 828 N -3.47 1.40 0.28 2.37 0.00 -1.26 -1.99 119.74 117.07 1smy s LYS 828 Ca 0.02 -2.40 0.10 0.00 0.00 0.00 0.00 55.97 53.70 1smy s LYS 828 Cb 0.09 -2.14 -0.05 0.00 0.00 0.00 0.00 37.83 35.73 1smy s LYS 828 CO 0.64 -1.31 -0.05 0.08 0.00 0.00 0.00 175.35 174.71 1smy s VAL 829 N -0.26 3.09 -0.76 1.79 1.01 -1.26 0.58 120.40 124.59 1smy s VAL 829 Ca 0.27 -2.05 -0.26 0.00 0.00 0.00 0.00 61.98 59.94 1smy s VAL 829 Cb -0.05 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1smy s VAL 829 CO -0.14 -0.36 1.70 0.00 0.00 0.00 0.00 175.10 176.30 1smy s ALA 830 N -2.40 2.24 -0.42 5.51 0.00 -1.26 -4.42 121.76 121.02 1smy s ALA 830 Ca 0.31 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 51.11 1smy s ALA 830 Cb -0.05 -4.39 0.22 0.00 0.00 0.00 0.00 23.12 18.90 1smy s ALA 830 CO 0.19 -3.96 0.53 0.41 0.00 0.00 0.00 175.76 172.93 1smy n GLY 831 N 6.07 2.04 0.00 0.00 0.00 -1.24 -4.53 105.19 107.54 1smy n GLY 831 Ca 0.23 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1smy n GLY 831 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1smy n ARG 832 N 1.94 0.00 0.10 1.61 3.00 -1.26 -0.45 116.66 121.60 1smy n ARG 832 Ca 0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.94 1smy n ARG 832 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.92 1smy n ARG 832 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1smy h GLU 833 N 0.00 -0.57 -2.43 -0.14 5.08 -1.94 -3.44 114.58 111.14 1smy h GLU 833 Ca 0.00 0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1smy h GLU 833 Cb 0.00 0.13 -0.24 0.00 0.50 0.00 0.00 28.75 29.13 1smy h GLU 833 CO 0.00 -0.38 -0.18 -0.08 -1.00 0.00 0.00 179.01 177.37 1smy s THR 834 N -5.05 -0.02 0.57 1.13 -1.32 0.40 -5.06 115.64 106.30 1smy s THR 834 Ca -0.12 0.06 -0.16 0.00 -1.21 0.00 0.00 61.69 60.26 1smy s THR 834 Cb 0.04 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 70.24 1smy s THR 834 CO 0.45 0.02 1.03 -0.55 -2.21 0.00 0.00 174.62 173.36 1smy s SER 835 N 1.38 6.07 0.55 8.08 0.15 -1.23 -4.73 113.70 123.96 1smy s SER 835 Ca -0.09 1.71 0.38 0.00 0.70 0.00 0.00 55.95 58.65 1smy s SER 835 Cb -0.07 -2.52 1.55 0.00 -1.71 0.00 0.00 66.02 63.27 1smy s SER 835 CO -0.14 -0.97 1.77 1.62 1.20 0.00 0.00 173.24 176.72 1smy h VAL 836 N 0.52 0.35 -0.73 4.45 3.04 -1.80 0.40 116.25 122.48 1smy h VAL 836 Ca -0.47 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 65.37 1smy h VAL 836 Cb 1.21 0.36 -0.05 0.00 -2.01 0.00 0.00 31.29 30.80 1smy h VAL 836 CO 0.59 0.00 0.49 1.23 -1.01 0.00 0.00 177.57 178.87 1smy h GLY 837 N 0.00 0.63 1.77 3.17 0.00 -1.59 0.21 103.07 107.26 1smy h GLY 837 Ca 0.59 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.71 1smy h GLY 837 CO -0.01 0.06 -0.44 -0.09 0.00 0.00 0.00 176.54 176.06 1smy h ARG 838 N 0.38 0.00 -0.04 4.80 2.43 -0.30 -3.32 114.38 118.33 1smy h ARG 838 Ca 0.35 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 1smy h ARG 838 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1smy h ARG 838 CO -0.10 0.20 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.32 1smy h LEU 839 N 0.00 0.21 -1.66 3.80 3.38 -0.59 -3.33 115.31 117.12 1smy h LEU 839 Ca -0.02 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 1smy h LEU 839 Cb 1.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1smy h LEU 839 CO 0.03 0.83 -0.03 0.50 0.09 0.00 0.00 178.44 179.85 1smy h LYS 840 N -0.39 0.18 -4.87 1.13 3.64 -1.28 -3.42 116.57 111.55 1smy h LYS 840 Ca -0.01 -0.02 -0.57 0.00 -1.27 0.00 0.00 60.65 58.77 1smy h LYS 840 Cb 0.82 -0.03 -0.33 0.00 -0.41 0.00 0.00 32.23 32.27 1smy h LYS 840 CO 0.03 0.22 -0.84 0.71 -2.27 0.00 0.00 179.45 177.31 1smy s TYR 841 N -4.95 1.85 -0.21 1.91 1.51 -1.25 -5.09 117.35 111.12 1smy s TYR 841 Ca -0.06 -0.71 -0.03 0.00 -1.01 0.00 0.00 57.07 55.27 1smy s TYR 841 Cb 0.16 -1.29 0.07 0.00 -0.11 0.00 0.00 41.96 40.79 1smy s TYR 841 CO 0.71 -0.32 0.06 0.08 -1.11 0.00 0.00 175.55 174.97 1smy s VAL 842 N 0.51 0.41 -0.24 0.71 1.01 -1.26 -3.90 120.40 117.64 1smy s VAL 842 Ca -0.15 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1smy s VAL 842 Cb -0.16 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 1smy s VAL 842 CO 0.05 -0.32 0.23 -0.36 0.00 0.00 0.00 175.10 174.70 1smy s PHE 843 N 1.90 3.31 0.00 5.22 2.99 -0.99 -5.03 117.98 125.38 1smy s PHE 843 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 56.93 57.25 1smy s PHE 843 Cb -0.17 -2.37 0.00 0.00 0.00 0.00 0.00 43.02 40.49 1smy s PHE 843 CO -0.13 -0.01 0.43 0.00 -0.00 0.00 0.00 175.22 175.51 1smy n ALA 844 N 4.54 -0.08 -2.09 5.36 0.00 -1.26 -1.98 120.51 125.00 1smy n ALA 844 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 1smy n ALA 844 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1smy n ALA 844 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1smy s ASN 845 N -1.83 6.12 0.03 0.00 2.47 -1.26 -3.22 114.94 117.25 1smy s ASN 845 Ca 0.00 1.08 -0.16 0.00 0.42 0.00 0.00 52.86 54.21 1smy s ASN 845 Cb 0.00 -2.24 -0.08 0.00 -1.45 0.00 0.00 41.25 37.49 1smy s ASN 845 CO 0.00 -0.78 1.24 -0.65 -3.72 0.00 0.00 177.10 173.19 1smy h PRO 846 N -0.07 -0.45 -0.98 0.43 0.11 -1.90 -2.89 132.00 126.26 1smy h PRO 846 Ca -0.46 0.03 0.38 0.00 0.11 0.00 0.00 66.00 66.06 1smy h PRO 846 Cb 1.21 0.10 -0.18 0.00 0.11 0.00 0.00 31.00 32.24 1smy h PRO 846 CO 0.62 -0.30 0.41 -0.25 -0.21 0.00 0.00 178.00 178.27 1smy n ASP 847 N -3.65 0.23 -0.28 -2.05 9.92 -1.26 0.24 116.55 119.69 1smy n ASP 847 Ca -0.06 1.64 0.09 0.00 -0.53 0.00 0.00 54.79 55.93 1smy n ASP 847 Cb 0.21 -0.75 0.21 0.00 -0.64 0.00 0.00 41.12 40.15 1smy n ASP 847 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1smy h GLU 848 N 0.00 0.11 0.17 -1.24 5.08 -1.91 -1.73 114.58 115.06 1smy h GLU 848 Ca 0.78 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 59.15 1smy h GLU 848 Cb 1.98 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.16 1smy h GLU 848 CO -0.80 0.07 -0.34 0.00 -1.00 0.00 0.00 179.01 176.94 1smy h ALA 849 N 1.78 -0.62 -0.85 3.43 0.00 -0.28 -3.02 119.26 119.70 1smy h ALA 849 Ca 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1smy h ALA 849 Cb 0.90 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1smy h ALA 849 CO -0.72 -0.90 0.47 -0.07 0.00 0.00 0.00 179.25 178.03 1smy h LEU 850 N -0.60 1.05 -0.27 0.00 3.38 -1.42 -3.01 115.31 114.44 1smy h LEU 850 Ca 0.02 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1smy h LEU 850 Cb 0.61 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1smy h LEU 850 CO -0.17 0.85 -0.03 -0.07 0.09 0.00 0.00 178.44 179.11 1smy h LEU 851 N 1.19 -0.17 -0.68 1.67 3.38 -1.33 0.93 115.31 120.29 1smy h LEU 851 Ca 0.30 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.45 1smy h LEU 851 Cb 0.02 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 1smy h LEU 851 CO -0.05 -0.05 0.28 0.00 0.09 0.00 0.00 178.44 178.71 1smy h ALA 852 N 1.25 0.91 -0.22 1.53 0.00 -1.50 0.24 119.26 121.47 1smy h ALA 852 Ca 0.13 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1smy h ALA 852 Cb 0.18 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1smy h ALA 852 CO -0.24 -0.16 -0.10 0.28 0.00 0.00 0.00 179.25 179.03 1smy h VAL 853 N 0.47 0.68 -0.88 0.00 2.07 -1.10 0.18 116.25 117.66 1smy h VAL 853 Ca 0.35 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.97 1smy h VAL 853 Cb 0.45 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1smy h VAL 853 CO -0.33 0.00 0.52 0.00 0.02 0.00 0.00 177.57 177.79 1smy h ALA 854 N 1.13 1.27 0.00 1.67 0.00 0.85 0.77 119.26 124.94 1smy h ALA 854 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1smy h ALA 854 Cb 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1smy h ALA 854 CO -0.27 0.16 0.00 0.72 0.00 0.00 0.00 179.25 179.86 1smy n HIS 855 N -4.69 0.00 -1.09 0.00 8.25 0.68 -4.86 115.22 113.51 1smy n HIS 855 Ca 0.15 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.58 1smy n HIS 855 Cb 0.28 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.38 1smy n HIS 855 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1smy n GLY 856 N 0.60 0.61 0.09 -1.41 0.00 0.26 -4.92 105.19 100.43 1smy n GLY 856 Ca 0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 1smy n GLY 856 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1smy h ILE 857 N 0.00 1.05 -3.46 -0.61 1.08 -0.88 -3.47 117.51 111.22 1smy h ILE 857 Ca -0.06 -2.81 -0.36 0.00 -0.39 0.00 0.00 64.86 61.24 1smy h ILE 857 Cb 0.22 2.59 -0.35 0.00 -3.07 0.00 0.00 36.82 36.21 1smy h ILE 857 CO 0.09 0.70 -0.75 -0.69 -0.69 0.00 0.00 178.15 176.81 1smy s VAL 858 N -2.62 0.24 0.64 1.67 1.01 -1.23 -4.93 120.40 115.17 1smy s VAL 858 Ca -0.07 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 1smy s VAL 858 Cb 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1smy s VAL 858 CO 0.82 0.17 1.05 -1.81 0.00 0.00 0.00 175.10 175.33 1smy s ASP 859 N 1.13 5.73 0.41 3.32 1.01 -1.26 -4.05 116.67 122.96 1smy s ASP 859 Ca -0.08 1.65 0.18 0.00 0.71 0.00 0.00 52.55 55.01 1smy s ASP 859 Cb -0.13 -2.51 0.90 0.00 1.01 0.00 0.00 42.92 42.19 1smy s ASP 859 CO -0.02 -1.20 1.87 -0.07 0.21 0.00 0.00 175.17 175.96 1smy h LEU 860 N -0.14 0.00 -1.22 1.23 3.38 -1.95 -3.01 115.31 113.60 1smy h LEU 860 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1smy h LEU 860 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1smy h LEU 860 CO 0.58 0.30 0.00 0.00 0.09 0.00 0.00 178.44 179.41 1smy n GLN 861 N -3.86 1.82 -2.23 1.13 3.00 -1.26 0.08 117.38 116.06 1smy n GLN 861 Ca -0.01 -1.21 -0.31 0.00 -0.01 0.00 0.00 57.00 55.46 1smy n GLN 861 Cb 0.38 -1.45 -0.01 0.00 0.00 0.00 0.00 30.24 29.16 1smy n GLN 861 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1smy s ASP 862 N -1.82 6.36 -0.30 1.08 3.68 -1.14 -2.61 116.67 121.91 1smy s ASP 862 Ca 0.35 1.34 -0.24 0.00 2.13 0.00 0.00 52.55 56.14 1smy s ASP 862 Cb 0.20 -2.43 0.00 0.00 -1.45 0.00 0.00 42.92 39.24 1smy s ASP 862 CO 0.31 -0.70 0.80 -0.69 0.13 0.00 0.00 175.17 175.01 1smy s VAL 863 N -2.89 4.78 0.25 1.11 1.01 -1.26 -3.84 120.40 119.57 1smy s VAL 863 Ca 0.54 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.76 1smy s VAL 863 Cb -0.11 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1smy s VAL 863 CO 0.45 -0.25 0.14 -0.69 0.00 0.00 0.00 175.10 174.75 1smy s VAL 864 N 2.98 0.25 -0.07 2.92 1.01 -1.24 -3.86 120.40 122.39 1smy s VAL 864 Ca 0.33 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.33 1smy s VAL 864 Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1smy s VAL 864 CO 0.12 0.00 -0.12 0.42 0.00 0.00 0.00 175.10 175.52 1smy s THR 865 N -3.87 3.24 0.04 3.92 -4.23 -1.25 -1.81 115.64 111.68 1smy s THR 865 Ca 0.38 -0.64 -0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1smy s THR 865 Cb 0.07 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1smy s THR 865 CO 0.15 0.58 -0.04 -0.69 -0.54 0.00 0.00 174.62 174.08 1smy s VAL 866 N -0.53 0.24 -0.56 2.29 1.01 -0.27 -2.34 120.40 120.24 1smy s VAL 866 Ca 0.07 -1.37 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 1smy s VAL 866 Cb -0.12 -0.91 0.14 0.00 0.00 0.00 0.00 36.38 35.50 1smy s VAL 866 CO 0.02 -0.72 0.43 -0.60 0.00 0.00 0.00 175.10 174.22 1smy s ARG 867 N -2.64 2.65 0.00 2.72 3.52 -0.84 -1.95 118.95 122.41 1smy s ARG 867 Ca -0.04 -2.04 0.00 0.00 -0.13 0.00 0.00 55.73 53.52 1smy s ARG 867 Cb -0.02 -3.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 1smy s ARG 867 CO -0.05 -1.20 0.00 0.98 -0.81 0.00 0.00 175.30 174.22 1smy n TYR 868 N 4.44 -0.11 -1.54 5.12 4.19 -0.35 -4.51 117.16 124.41 1smy n TYR 868 Ca -0.01 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 60.83 1smy n TYR 868 Cb 0.41 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.18 1smy n TYR 868 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 1smy n MET 869 N -0.03 0.76 -1.59 2.98 2.81 -1.26 -2.54 117.12 118.25 1smy n MET 869 Ca 0.00 -0.01 -0.18 0.00 -1.81 0.00 0.00 57.70 55.70 1smy n MET 869 Cb 0.00 -2.93 -0.07 0.00 -0.71 0.00 0.00 33.22 29.50 1smy n MET 869 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1smy n GLY 870 N 6.14 1.54 2.88 3.03 0.00 -1.26 -4.97 105.19 112.56 1smy n GLY 870 Ca 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 1smy n GLY 870 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1smy s LYS 871 N -3.63 0.02 -1.14 1.61 2.47 -1.05 -5.06 119.74 112.95 1smy s LYS 871 Ca 0.00 0.01 -0.06 0.00 -1.56 0.00 0.00 55.97 54.35 1smy s LYS 871 Cb 0.00 0.01 0.26 0.00 -1.46 0.00 0.00 37.83 36.64 1smy s LYS 871 CO 0.00 -0.00 1.55 0.54 0.16 0.00 0.00 175.35 177.60 1smy n ARG 872 N 3.06 4.13 -2.70 4.03 1.74 -1.26 -1.21 116.66 124.44 1smy n ARG 872 Ca -0.12 -4.25 -0.40 0.00 -0.77 0.00 0.00 57.85 52.30 1smy n ARG 872 Cb 0.60 -2.64 -0.05 0.00 -1.02 0.00 0.00 32.46 29.34 1smy n ARG 872 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1smy s LEU 873 N -1.78 4.58 -0.96 0.55 1.02 -0.82 -4.87 118.68 116.39 1smy s LEU 873 Ca 0.34 1.94 -0.04 0.00 0.02 0.00 0.00 54.13 56.39 1smy s LEU 873 Cb 0.04 -3.60 0.24 0.00 0.02 0.00 0.00 46.19 42.89 1smy s LEU 873 CO 0.06 0.03 0.89 -1.61 0.02 0.00 0.00 176.35 175.73 1smy s GLU 874 N -0.74 3.57 0.22 1.70 2.02 -1.26 -1.12 118.70 123.09 1smy s GLU 874 Ca 0.44 -3.27 0.06 0.00 0.02 0.00 0.00 54.97 52.22 1smy s GLU 874 Cb -0.26 -4.14 -0.05 0.00 0.10 0.00 0.00 34.13 29.78 1smy s GLU 874 CO 0.32 -1.26 -0.08 0.99 0.02 0.00 0.00 175.26 175.26 1smy s THR 875 N -1.34 1.45 0.70 3.63 2.01 -0.75 -4.84 115.64 116.51 1smy s THR 875 Ca 0.29 -2.12 -0.13 0.00 0.31 0.00 0.00 61.69 60.04 1smy s THR 875 Cb -0.08 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.25 1smy s THR 875 CO -0.11 -0.47 1.09 -0.94 -0.69 0.00 0.00 174.62 173.50 1smy s SER 876 N -3.33 4.97 0.10 3.53 1.04 -1.26 -3.61 113.70 115.14 1smy s SER 876 Ca 0.25 1.86 -0.29 0.00 0.48 0.00 0.00 55.95 58.25 1smy s SER 876 Cb 0.03 -2.53 -0.12 0.00 0.10 0.00 0.00 66.02 63.50 1smy s SER 876 CO 0.08 -1.72 1.64 -0.65 0.98 0.00 0.00 173.24 173.57 1smy h PRO 877 N -0.49 -0.54 -0.85 4.02 0.11 -1.61 -1.86 132.00 130.77 1smy h PRO 877 Ca -0.45 0.04 0.19 0.00 0.11 0.00 0.00 66.00 65.89 1smy h PRO 877 Cb 1.23 0.12 -0.16 0.00 0.11 0.00 0.00 31.00 32.31 1smy h PRO 877 CO 0.54 -0.36 -0.11 0.78 -0.21 0.00 0.00 178.00 178.64 1smy h GLY 878 N -0.56 0.80 0.97 -0.55 0.00 -0.50 0.44 103.07 103.67 1smy h GLY 878 Ca -0.01 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1smy h GLY 878 CO -0.06 -0.35 0.12 3.21 0.00 0.00 0.00 176.54 179.46 1smy h ARG 879 N 0.03 0.28 -0.73 4.80 2.47 -1.63 -1.23 114.38 118.37 1smy h ARG 879 Ca 0.45 -0.03 0.13 0.00 -1.26 0.00 0.00 59.98 59.28 1smy h ARG 879 Cb 0.77 -0.06 -0.09 0.00 -1.65 0.00 0.00 29.97 28.94 1smy h ARG 879 CO -0.83 0.23 0.29 0.82 0.56 0.00 0.00 179.97 181.04 1smy h ILE 880 N 0.25 0.67 -0.11 2.04 1.08 0.59 -1.53 117.51 120.50 1smy h ILE 880 Ca 0.07 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1smy h ILE 880 Cb 0.02 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1smy h ILE 880 CO -0.01 0.08 0.03 0.25 -0.69 0.00 0.00 178.15 177.80 1smy h LEU 881 N 0.44 0.16 -0.66 1.44 5.85 -0.48 -2.86 115.31 119.20 1smy h LEU 881 Ca 0.40 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 59.03 1smy h LEU 881 Cb 0.59 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.48 1smy h LEU 881 CO -0.39 0.35 0.13 0.15 -0.34 0.00 0.00 178.44 178.34 1smy h PHE 882 N -0.02 0.20 -0.90 1.25 3.57 -0.43 0.26 116.94 120.86 1smy h PHE 882 Ca 0.03 0.04 0.19 0.00 3.53 0.00 0.00 57.97 61.77 1smy h PHE 882 Cb 0.24 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 38.89 1smy h PHE 882 CO 0.00 -0.07 0.45 0.00 -2.23 0.00 0.00 178.31 176.47 1smy h ALA 883 N 1.55 1.44 -0.02 2.41 0.00 -1.09 -1.52 119.26 122.03 1smy h ALA 883 Ca 0.36 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1smy h ALA 883 Cb 0.57 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1smy h ALA 883 CO -0.46 -0.21 -0.01 -0.09 0.00 0.00 0.00 179.25 178.47 1smy h ARG 884 N 0.54 0.04 -0.93 0.00 1.12 -0.37 0.12 114.38 114.91 1smy h ARG 884 Ca 0.54 -0.02 0.26 0.00 -1.11 0.00 0.00 59.98 59.65 1smy h ARG 884 Cb 0.91 -0.00 -0.14 0.00 -0.01 0.00 0.00 29.97 30.73 1smy h ARG 884 CO -0.45 0.46 0.38 0.82 -3.11 0.00 0.00 179.97 178.07 1smy h ILE 885 N -0.38 0.34 0.07 1.20 2.04 -0.27 1.31 117.51 121.82 1smy h ILE 885 Ca 0.00 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 1smy h ILE 885 Cb 0.45 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1smy h ILE 885 CO 0.00 0.05 -0.55 0.58 0.00 0.00 0.00 178.15 178.24 1smy h VAL 886 N 0.29 1.56 -0.00 1.67 2.07 -1.46 -1.05 116.25 119.33 1smy h VAL 886 Ca 0.61 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1smy h VAL 886 Cb 1.28 3.09 -0.00 0.00 -1.52 0.00 0.00 31.29 34.15 1smy h VAL 886 CO -0.62 0.65 0.15 0.00 0.02 0.00 0.00 177.57 177.78 1smy h ALA 887 N 0.13 1.15 0.03 1.67 0.00 0.21 -1.47 119.26 120.98 1smy h ALA 887 Ca -0.09 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.45 1smy h ALA 887 Cb 1.38 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1smy h ALA 887 CO 0.10 -0.15 -2.27 -1.91 0.00 0.00 0.00 179.25 175.03 1smy n GLU 888 N -2.99 0.68 0.21 0.00 4.07 0.42 -3.87 120.64 119.15 1smy n GLU 888 Ca -0.03 0.16 0.11 0.00 -0.06 0.00 0.00 57.16 57.35 1smy n GLU 888 Cb 0.21 -1.59 0.66 0.00 -0.06 0.00 0.00 31.44 30.65 1smy n GLU 888 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1smy h ALA 889 N 0.28 2.09 -3.27 4.31 0.00 -0.14 -3.34 119.26 119.19 1smy h ALA 889 Ca -0.51 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.88 1smy h ALA 889 Cb 2.01 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 19.41 1smy h ALA 889 CO -0.01 -0.14 -0.76 0.08 0.00 0.00 0.00 179.25 178.42 1smy s VAL 890 N -5.04 0.54 -0.05 0.00 1.01 -0.90 -4.55 120.40 111.41 1smy s VAL 890 Ca -0.05 -0.59 0.17 0.00 0.00 0.00 0.00 61.98 61.51 1smy s VAL 890 Cb 0.17 -1.06 0.17 0.00 0.00 0.00 0.00 36.38 35.66 1smy s VAL 890 CO 0.68 -0.22 1.44 1.21 0.00 0.00 0.00 175.10 178.21 1smy n GLU 891 N 5.04 0.11 -1.55 2.72 4.07 -1.25 -4.01 120.64 125.77 1smy n GLU 891 Ca -0.09 0.60 -0.41 0.00 -0.06 0.00 0.00 57.16 57.20 1smy n GLU 891 Cb 0.47 -2.05 -0.04 0.00 -0.06 0.00 0.00 31.44 29.76 1smy n GLU 891 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1smy n ASP 892 N -2.14 3.16 -0.21 4.31 9.92 -1.26 -4.77 116.55 125.56 1smy n ASP 892 Ca -0.01 -2.75 -0.08 0.00 -0.53 0.00 0.00 54.79 51.42 1smy n ASP 892 Cb 0.22 -1.40 -0.03 0.00 -0.64 0.00 0.00 41.12 39.27 1smy n ASP 892 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1smy h GLU 893 N 7.62 -0.21 -0.97 -1.24 4.81 -1.75 -0.55 114.58 122.29 1smy h GLU 893 Ca 0.44 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.73 1smy h GLU 893 Cb 0.72 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 1smy h GLU 893 CO 1.80 -0.14 0.63 0.87 -0.73 0.00 0.00 179.01 181.44 1smy h LYS 894 N -0.22 1.16 0.00 1.92 1.79 -1.95 0.38 116.57 119.65 1smy h LYS 894 Ca 0.19 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1smy h LYS 894 Cb 0.56 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1smy h LYS 894 CO -0.69 0.77 0.00 0.28 -1.08 0.00 0.00 179.45 178.73 1smy h VAL 895 N 1.19 0.00 0.00 0.50 2.07 -1.57 -1.85 116.25 116.59 1smy h VAL 895 Ca 0.40 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.57 1smy h VAL 895 Cb 0.06 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1smy h VAL 895 CO -0.14 0.00 -0.77 0.00 0.02 0.00 0.00 177.57 176.68 1smy h ALA 896 N 2.14 0.63 0.00 1.67 0.00 0.12 -3.32 119.26 120.50 1smy h ALA 896 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 54.91 54.08 1smy h ALA 896 Cb 0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1smy h ALA 896 CO 0.00 0.78 -1.39 2.35 0.00 0.00 0.00 179.25 180.99 1smy h TRP 897 N 0.00 0.00 -0.24 0.00 7.01 -0.90 -3.30 115.95 118.52 1smy h TRP 897 Ca -0.04 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.89 1smy h TRP 897 Cb 1.49 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.53 1smy h TRP 897 CO 0.00 0.83 -0.16 0.93 -2.79 0.00 0.00 178.44 177.24 1smy h GLU 898 N 0.00 0.41 -0.11 2.65 5.08 -1.58 -3.16 114.58 117.88 1smy h GLU 898 Ca -0.18 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1smy h GLU 898 Cb 1.79 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1smy h GLU 898 CO 0.08 0.57 0.00 1.47 -1.00 0.00 0.00 179.01 180.13 1smy n LEU 899 N -4.19 2.87 -4.59 1.33 -0.00 -1.25 -4.96 117.00 106.20 1smy n LEU 899 Ca 0.00 -1.13 -0.31 0.00 -0.00 0.00 0.00 56.01 54.56 1smy n LEU 899 Cb 0.33 -0.06 -0.10 0.00 -0.00 0.00 0.00 43.42 43.59 1smy n LEU 899 CO 0.40 0.53 -0.40 0.27 -0.00 0.00 0.00 177.39 178.20 1smy s ILE 900 N -1.64 3.56 -0.67 1.47 -4.36 -1.19 -4.75 121.20 113.62 1smy s ILE 900 Ca 0.27 -0.96 -0.02 0.00 -0.26 0.00 0.00 60.65 59.67 1smy s ILE 900 Cb 0.18 -2.60 0.17 0.00 1.25 0.00 0.00 42.46 41.46 1smy s ILE 900 CO 0.27 0.28 0.49 0.00 0.24 0.00 0.00 174.94 176.21 1smy s GLN 901 N -1.74 2.66 -0.02 0.37 -2.07 -1.26 -4.90 119.66 112.70 1smy s GLN 901 Ca 0.19 -2.66 0.01 0.00 -1.82 0.00 0.00 55.36 51.08 1smy s GLN 901 Cb -0.11 -3.75 0.06 0.00 -1.09 0.00 0.00 33.01 28.11 1smy s GLN 901 CO 0.10 -1.19 0.61 1.47 -1.32 0.00 0.00 175.29 174.96 1smy n LEU 902 N 3.27 1.30 -1.34 2.60 -0.00 -1.26 -3.65 117.00 117.92 1smy n LEU 902 Ca 0.10 -0.65 0.10 0.00 -0.00 0.00 0.00 56.01 55.56 1smy n LEU 902 Cb 0.38 -0.49 0.31 0.00 -0.00 0.00 0.00 43.42 43.61 1smy n LEU 902 CO 0.34 0.27 0.77 0.47 -0.00 0.00 0.00 177.39 179.23 1smy n ASP 903 N 0.03 3.91 -3.72 1.45 10.43 -1.26 -4.96 116.55 122.43 1smy n ASP 903 Ca 0.02 -2.14 -0.08 0.00 2.57 0.00 0.00 54.79 55.16 1smy n ASP 903 Cb 0.31 -0.49 -0.02 0.00 1.84 0.00 0.00 41.12 42.76 1smy n ASP 903 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1smy s VAL 904 N -1.34 0.00 0.32 2.53 -7.23 -1.24 -5.15 120.40 108.30 1smy s VAL 904 Ca 0.46 -0.66 -0.28 0.00 -1.81 0.00 0.00 61.98 59.69 1smy s VAL 904 Cb 0.26 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 35.38 1smy s VAL 904 CO 0.28 0.00 1.20 -2.84 -0.31 0.00 0.00 175.10 173.43 1smy s PRO 905 N -3.72 4.42 -0.24 4.82 0.02 -1.26 -4.90 135.00 134.13 1smy s PRO 905 Ca 0.09 1.98 -0.29 0.00 0.02 0.00 0.00 61.00 62.79 1smy s PRO 905 Cb -0.04 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.41 1smy s PRO 905 CO 0.01 -0.05 1.73 -0.65 -0.33 0.00 0.00 177.00 177.71 1smy s GLN 906 N -1.75 3.62 0.38 5.54 -1.52 -1.25 -4.96 119.66 119.72 1smy s GLN 906 Ca 0.49 1.65 0.08 0.00 -1.95 0.00 0.00 55.36 55.62 1smy s GLN 906 Cb -0.35 -4.12 -0.01 0.00 -0.22 0.00 0.00 33.01 28.31 1smy s GLN 906 CO 0.45 -1.51 0.41 -2.00 -0.25 0.00 0.00 175.29 172.39 1smy s GLU 907 N 5.09 2.74 0.32 2.91 2.12 -1.26 -4.27 118.70 126.35 1smy s GLU 907 Ca 0.77 -1.32 0.03 0.00 0.36 0.00 0.00 54.97 54.80 1smy s GLU 907 Cb -0.25 -2.56 0.61 0.00 0.26 0.00 0.00 34.13 32.19 1smy s GLU 907 CO 0.32 -0.09 1.91 1.57 -0.54 0.00 0.00 175.26 178.43 1smy h LYS 908 N 0.98 0.90 -0.19 4.30 2.10 -1.89 -0.72 116.57 122.06 1smy h LYS 908 Ca -0.43 -0.05 -0.05 0.00 -2.00 0.00 0.00 60.65 58.12 1smy h LYS 908 Cb 1.26 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1smy h LYS 908 CO 0.54 0.60 -0.09 -0.91 -2.00 0.00 0.00 179.45 177.59 1smy h ASN 909 N 0.93 0.41 -0.49 7.07 2.35 -1.98 0.18 115.58 124.05 1smy h ASN 909 Ca 0.38 -0.41 0.08 0.00 -0.55 0.00 0.00 56.30 55.80 1smy h ASN 909 Cb 0.28 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.47 1smy h ASN 909 CO -0.15 0.73 0.10 0.77 -1.65 0.00 0.00 177.43 177.23 1smy h SER 910 N 0.08 0.02 0.24 5.81 4.64 -1.70 0.17 113.55 122.82 1smy h SER 910 Ca 0.04 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1smy h SER 910 Cb 0.57 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1smy h SER 910 CO 0.03 0.04 -0.12 -0.07 -0.87 0.00 0.00 176.83 175.84 1smy h LEU 911 N 0.24 -0.28 -0.84 5.97 4.07 -1.12 0.31 115.31 123.65 1smy h LEU 911 Ca 0.25 -0.20 0.20 0.00 0.08 0.00 0.00 57.88 58.20 1smy h LEU 911 Cb 0.32 0.07 -0.15 0.00 1.08 0.00 0.00 40.66 41.98 1smy h LEU 911 CO -0.31 0.07 -0.04 0.50 -1.08 0.00 0.00 178.44 177.58 1smy h LYS 912 N -0.66 0.05 -0.12 1.13 1.63 -0.16 0.86 116.57 119.31 1smy h LYS 912 Ca -0.03 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1smy h LYS 912 Cb 0.46 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1smy h LYS 912 CO 0.06 0.04 0.06 -0.44 -3.45 0.00 0.00 179.45 175.71 1smy h ASP 913 N 0.06 0.15 -0.66 4.20 3.45 -0.54 -0.79 116.42 122.28 1smy h ASP 913 Ca 0.46 -0.09 0.14 0.00 0.43 0.00 0.00 57.03 57.98 1smy h ASP 913 Cb 0.83 -0.04 -0.11 0.00 -0.56 0.00 0.00 39.33 39.45 1smy h ASP 913 CO -0.79 0.19 -0.01 0.25 -1.57 0.00 0.00 179.24 177.32 1smy h LEU 914 N 0.09 -0.32 0.37 1.55 6.46 0.27 0.19 115.31 123.91 1smy h LEU 914 Ca 0.04 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1smy h LEU 914 Cb 0.08 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1smy h LEU 914 CO -0.01 -0.14 -0.23 0.58 -0.62 0.00 0.00 178.44 178.03 1smy h VAL 915 N 0.10 0.53 -0.51 1.05 2.07 0.25 -0.39 116.25 119.36 1smy h VAL 915 Ca 0.35 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.95 1smy h VAL 915 Cb 0.58 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1smy h VAL 915 CO -0.58 0.00 0.10 0.22 0.02 0.00 0.00 177.57 177.34 1smy h TYR 916 N -0.57 0.17 -0.03 1.57 -0.00 0.32 -0.31 116.97 118.12 1smy h TYR 916 Ca -0.04 0.03 0.02 0.00 -0.00 0.00 0.00 58.73 58.74 1smy h TYR 916 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.17 1smy h TYR 916 CO -0.09 -0.01 -0.11 1.96 -0.00 0.00 0.00 178.16 179.92 1smy h GLN 917 N 0.24 -0.16 -0.97 1.82 7.50 -0.47 -2.07 115.11 121.00 1smy h GLN 917 Ca 0.26 0.01 0.22 0.00 0.50 0.00 0.00 58.65 59.64 1smy h GLN 917 Cb 0.35 0.04 -0.12 0.00 0.05 0.00 0.00 27.48 27.80 1smy h GLN 917 CO -0.33 -0.11 0.55 0.00 -1.50 0.00 0.00 178.83 177.44 1smy h ALA 918 N 0.83 1.65 -2.63 3.87 0.00 0.04 0.41 119.26 123.44 1smy h ALA 918 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1smy h ALA 918 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1smy h ALA 918 CO -0.13 -0.21 0.00 0.34 0.00 0.00 0.00 179.25 179.25 1smy n PHE 919 N -4.88 0.00 -0.33 0.00 7.35 -0.24 -1.92 117.46 117.44 1smy n PHE 919 Ca 0.24 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.94 1smy n PHE 919 Cb 0.66 -0.06 0.07 0.00 0.35 0.00 0.00 39.48 40.50 1smy n PHE 919 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1smy h LEU 920 N 0.00 -1.15 0.00 -2.13 5.85 -1.30 -3.09 115.31 113.49 1smy h LEU 920 Ca 0.00 0.29 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1smy h LEU 920 Cb 0.00 0.65 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1smy h LEU 920 CO 0.00 -0.30 0.00 0.54 -0.34 0.00 0.00 178.44 178.34 1smy n ARG 921 N -5.52 0.00 0.00 1.25 5.12 0.12 -4.73 116.66 112.90 1smy n ARG 921 Ca 0.11 0.26 0.00 0.00 -1.93 0.00 0.00 57.85 56.29 1smy n ARG 921 Cb 0.42 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 1smy n ARG 921 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1smy n LEU 922 N -1.28 0.21 -3.63 0.55 4.77 -0.81 -5.08 117.00 111.74 1smy n LEU 922 Ca 0.00 0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 55.99 1smy n LEU 922 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1smy n LEU 922 CO 0.00 0.00 0.91 -0.83 -1.33 0.00 0.00 177.39 176.14 1smy s GLY 923 N -0.07 -0.35 0.01 -0.72 0.00 -1.17 -5.03 107.32 99.98 1smy s GLY 923 Ca 0.00 0.81 -0.03 0.00 0.00 0.00 0.00 44.72 45.50 1smy s GLY 923 CO 0.00 0.22 1.05 1.98 0.00 0.00 0.00 173.10 176.34 1smy h MET 924 N 2.00 -0.10 -0.93 2.90 1.85 -1.90 -0.89 114.93 117.86 1smy h MET 924 Ca -0.23 0.01 0.12 0.00 -0.61 0.00 0.00 59.70 58.99 1smy h MET 924 Cb 1.21 0.02 -0.07 0.00 0.43 0.00 0.00 31.60 33.19 1smy h MET 924 CO 0.27 -0.07 0.60 1.05 -0.40 0.00 0.00 176.91 178.36 1smy h GLU 925 N -0.11 0.85 -0.62 0.39 4.11 -1.98 0.10 114.58 117.32 1smy h GLU 925 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 1smy h GLU 925 Cb 0.08 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1smy h GLU 925 CO 0.01 0.56 0.26 -0.22 0.07 0.00 0.00 179.01 179.69 1smy h LYS 926 N 0.88 0.92 -0.99 1.06 3.64 -1.95 -1.57 116.57 118.55 1smy h LYS 926 Ca 0.45 -0.16 0.15 0.00 -1.27 0.00 0.00 60.65 59.82 1smy h LYS 926 Cb 0.52 -0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.10 1smy h LYS 926 CO -0.22 0.77 0.62 1.15 -2.27 0.00 0.00 179.45 179.50 1smy h THR 927 N 0.86 0.82 -0.41 1.00 2.02 0.48 -0.50 112.91 117.19 1smy h THR 927 Ca 0.21 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 67.16 1smy h THR 927 Cb 0.19 -0.11 -0.06 0.00 -1.74 0.00 0.00 68.15 66.43 1smy h THR 927 CO -0.02 0.16 0.05 0.00 0.37 0.00 0.00 175.52 176.08 1smy h ALA 928 N 1.59 0.42 0.25 6.16 0.00 -0.60 -1.53 119.26 125.54 1smy h ALA 928 Ca 0.52 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1smy h ALA 928 Cb 0.69 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1smy h ALA 928 CO -0.30 -0.35 -0.45 -0.09 0.00 0.00 0.00 179.25 178.07 1smy h ARG 929 N 0.17 -0.72 -1.09 0.00 2.43 -0.85 -1.37 114.38 112.95 1smy h ARG 929 Ca 0.20 0.05 0.30 0.00 -0.81 0.00 0.00 59.98 59.71 1smy h ARG 929 Cb 0.26 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.89 1smy h ARG 929 CO -0.29 -0.48 0.72 1.25 -1.51 0.00 0.00 179.97 179.66 1smy h LEU 930 N -0.75 0.33 0.72 3.80 5.85 -1.30 0.39 115.31 124.35 1smy h LEU 930 Ca -0.03 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1smy h LEU 930 Cb 0.70 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1smy h LEU 930 CO -0.16 0.05 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.51 1smy h LEU 931 N 0.28 -0.99 -0.83 2.25 3.38 -0.22 -0.31 115.31 118.88 1smy h LEU 931 Ca 0.60 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.61 1smy h LEU 931 Cb 1.75 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.74 1smy h LEU 931 CO -0.24 -0.64 0.46 0.44 0.09 0.00 0.00 178.44 178.54 1smy h ASP 932 N -1.04 1.03 -0.67 -0.43 3.32 -0.80 -0.32 116.42 117.52 1smy h ASP 932 Ca -0.09 -0.09 0.14 0.00 0.02 0.00 0.00 57.03 57.00 1smy h ASP 932 Cb 0.82 -0.26 -0.11 0.00 0.22 0.00 0.00 39.33 40.00 1smy h ASP 932 CO 0.12 0.83 0.00 0.00 -1.72 0.00 0.00 179.24 178.47 1smy h ALA 933 N 1.24 0.67 -0.22 3.45 0.00 -0.69 0.50 119.26 124.21 1smy h ALA 933 Ca 0.29 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 1smy h ALA 933 Cb 0.02 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1smy h ALA 933 CO -0.05 -0.40 -0.01 -0.07 0.00 0.00 0.00 179.25 178.72 1smy h LEU 934 N 0.11 0.39 -1.10 0.00 3.38 -0.46 -2.78 115.31 114.86 1smy h LEU 934 Ca 0.35 -0.33 0.20 0.00 0.09 0.00 0.00 57.88 58.20 1smy h LEU 934 Cb 0.59 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1smy h LEU 934 CO -0.58 0.63 0.61 0.50 0.09 0.00 0.00 178.44 179.69 1smy h LYS 935 N 0.15 0.66 0.00 1.13 3.64 0.98 0.42 116.57 123.56 1smy h LYS 935 Ca 0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1smy h LYS 935 Cb 0.43 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1smy h LYS 935 CO 0.01 0.44 0.00 0.98 -2.27 0.00 0.00 179.45 178.61 1smy n TYR 936 N -4.72 0.00 -0.39 1.91 -0.00 0.15 -2.32 117.16 111.79 1smy n TYR 936 Ca 0.23 0.00 0.31 0.00 -0.00 0.00 0.00 57.90 58.44 1smy n TYR 936 Cb 0.62 -0.03 0.58 0.00 -0.00 0.00 0.00 39.34 40.51 1smy n TYR 936 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 1smy h TYR 937 N 0.00 0.65 0.40 2.98 -1.99 -1.46 0.37 116.97 117.93 1smy h TYR 937 Ca 0.00 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1smy h TYR 937 Cb 0.00 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.54 1smy h TYR 937 CO 0.01 -0.15 -0.37 0.78 -0.00 0.00 0.00 178.16 178.43 1smy h GLY 938 N 0.20 -0.90 0.62 3.88 0.00 -0.99 0.14 103.07 106.03 1smy h GLY 938 Ca 0.75 0.43 -0.00 0.00 0.00 0.00 0.00 47.33 48.50 1smy h GLY 938 CO -0.44 -0.31 -0.38 0.74 0.00 0.00 0.00 176.54 176.15 1smy h PHE 939 N -0.79 -1.02 -0.19 5.60 0.05 0.08 -0.99 116.94 119.68 1smy h PHE 939 Ca -0.03 0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.79 1smy h PHE 939 Cb 0.70 0.40 -0.06 0.00 2.00 0.00 0.00 35.95 38.98 1smy h PHE 939 CO -0.20 -0.53 -0.50 1.79 -0.18 0.00 0.00 178.31 178.69 1smy h THR 940 N -0.78 0.00 -0.91 -1.55 1.35 -0.92 -0.84 112.91 109.25 1smy h THR 940 Ca -0.03 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.94 1smy h THR 940 Cb 0.70 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.05 1smy h THR 940 CO -0.06 0.00 0.59 -0.26 -0.25 0.00 0.00 175.52 175.54 1smy h PHE 941 N -0.49 0.96 -0.41 4.73 0.05 -0.69 -2.12 116.94 118.97 1smy h PHE 941 Ca 0.04 0.03 0.08 0.00 3.82 0.00 0.00 57.97 61.93 1smy h PHE 941 Cb 0.60 -0.31 -0.07 0.00 2.00 0.00 0.00 35.95 38.17 1smy h PHE 941 CO -0.61 0.41 -0.04 1.03 -0.18 0.00 0.00 178.31 178.92 1smy h SER 942 N 0.86 -0.26 -0.72 2.17 0.87 0.25 0.59 113.55 117.31 1smy h SER 942 Ca 0.44 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 61.08 1smy h SER 942 Cb 0.50 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 1smy h SER 942 CO -0.20 -0.09 0.37 0.71 -0.53 0.00 0.00 176.83 177.10 1smy h THR 943 N 0.06 1.23 0.07 2.23 1.35 -0.95 -3.05 112.91 113.85 1smy h THR 943 Ca 0.20 -0.61 -0.27 0.00 -0.55 0.00 0.00 66.41 65.18 1smy h THR 943 Cb 0.30 0.26 0.02 0.00 -1.73 0.00 0.00 68.15 67.00 1smy h THR 943 CO -0.37 0.26 -1.09 0.71 -0.25 0.00 0.00 175.52 174.79 1smy h THR 944 N 1.04 1.31 -1.80 6.82 1.35 -1.36 -3.29 112.91 116.98 1smy h THR 944 Ca 0.26 -2.35 0.54 0.00 -0.55 0.00 0.00 66.41 64.31 1smy h THR 944 Cb 0.07 2.60 -0.09 0.00 -1.73 0.00 0.00 68.15 69.01 1smy h THR 944 CO -0.04 0.71 1.27 0.77 -0.25 0.00 0.00 175.52 177.99 1smy h SER 945 N 0.24 0.05 -5.45 5.36 4.64 -0.78 -3.45 113.55 114.17 1smy h SER 945 Ca -0.16 0.03 -0.28 0.00 -0.47 0.00 0.00 61.79 60.92 1smy h SER 945 Cb 1.76 0.03 0.18 0.00 -0.31 0.00 0.00 62.40 64.07 1smy h SER 945 CO 0.21 -0.05 -0.79 0.61 -0.87 0.00 0.00 176.83 175.94 1smy n GLY 946 N -1.83 -0.72 3.37 -0.77 0.00 -1.24 -5.00 105.19 99.01 1smy n GLY 946 Ca 0.42 0.32 -0.35 0.00 0.00 0.00 0.00 46.02 46.42 1smy n GLY 946 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1smy s ILE 947 N -3.36 3.63 0.00 -0.61 -5.25 -1.26 -5.07 121.20 109.27 1smy s ILE 947 Ca 0.22 -0.42 0.00 0.00 -0.99 0.00 0.00 60.65 59.47 1smy s ILE 947 Cb -0.03 -2.64 0.00 0.00 2.95 0.00 0.00 42.46 42.74 1smy s ILE 947 CO 0.71 0.43 0.00 0.35 -1.79 0.00 0.00 174.94 174.64 1smy n THR 948 N 4.51 0.00 -3.72 8.37 -2.24 -1.26 -5.10 114.28 114.85 1smy n THR 948 Ca -0.18 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1smy n THR 948 Cb 0.51 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.59 1smy n THR 948 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1smy s ILE 949 N -1.22 0.68 0.45 2.28 1.01 -1.26 -4.68 121.20 118.46 1smy s ILE 949 Ca 0.00 -1.08 0.08 0.00 0.00 0.00 0.00 60.65 59.65 1smy s ILE 949 Cb 0.00 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.07 1smy s ILE 949 CO 0.00 -0.54 0.48 -0.83 0.00 0.00 0.00 174.94 174.05 1smy s GLY 950 N 1.74 2.07 0.21 6.18 0.00 -1.26 -5.02 107.32 111.23 1smy s GLY 950 Ca 0.06 -1.80 -0.08 0.00 0.00 0.00 0.00 44.72 42.91 1smy s GLY 950 CO -0.21 -1.67 1.74 -2.22 0.00 0.00 0.00 173.10 170.73 1smy h ILE 951 N 0.79 1.26 0.00 0.90 1.08 -1.99 -2.08 117.51 117.48 1smy h ILE 951 Ca -0.39 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.15 1smy h ILE 951 Cb 1.28 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1smy h ILE 951 CO 0.52 0.36 0.00 0.47 -0.69 0.00 0.00 178.15 178.81 1smy n ASP 952 N -4.24 0.00 -0.07 1.72 8.00 -1.26 -2.35 116.55 118.35 1smy n ASP 952 Ca 0.06 -0.78 -0.15 0.00 0.71 0.00 0.00 54.79 54.63 1smy n ASP 952 Cb 0.24 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.20 1smy n ASP 952 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1smy n ASP 953 N -0.53 1.35 -4.57 -2.24 10.43 -0.78 -4.52 116.55 115.68 1smy n ASP 953 Ca 0.01 0.09 -0.38 0.00 2.57 0.00 0.00 54.79 57.08 1smy n ASP 953 Cb 0.00 -0.14 -0.03 0.00 1.84 0.00 0.00 41.12 42.80 1smy n ASP 953 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1smy s ALA 954 N -2.54 2.69 0.16 2.24 0.00 -0.99 -4.78 121.76 118.55 1smy s ALA 954 Ca -0.20 -2.45 -0.30 0.00 0.00 0.00 0.00 51.96 49.01 1smy s ALA 954 Cb 0.07 -4.61 -0.07 0.00 0.00 0.00 0.00 23.12 18.51 1smy s ALA 954 CO 0.74 -3.92 1.04 0.08 0.00 0.00 0.00 175.76 173.70 1smy s VAL 955 N 6.37 4.09 -0.22 0.00 1.01 -1.26 -4.80 120.40 125.58 1smy s VAL 955 Ca 0.56 1.80 -0.11 0.00 0.00 0.00 0.00 61.98 64.24 1smy s VAL 955 Cb 0.01 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1smy s VAL 955 CO 0.03 0.31 0.17 -0.63 0.00 0.00 0.00 175.10 174.99 1smy s ILE 956 N -0.25 5.36 0.41 2.22 1.01 -1.26 -4.70 121.20 124.00 1smy s ILE 956 Ca 0.48 0.24 -0.25 0.00 0.00 0.00 0.00 60.65 61.12 1smy s ILE 956 Cb -0.27 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.60 1smy s ILE 956 CO 0.33 0.38 1.23 -2.84 0.00 0.00 0.00 174.94 174.04 1smy s PRO 957 N 0.77 3.95 0.48 2.79 0.02 -1.26 -4.91 135.00 136.83 1smy s PRO 957 Ca 0.09 1.97 0.18 0.00 0.02 0.00 0.00 61.00 63.27 1smy s PRO 957 Cb -0.13 -2.66 1.18 0.00 0.02 0.00 0.00 34.50 32.91 1smy s PRO 957 CO 0.02 -0.45 2.04 1.49 -0.33 0.00 0.00 177.00 179.77 1smy h GLU 958 N 2.54 0.00 0.00 5.54 4.57 -1.97 -2.18 114.58 123.08 1smy h GLU 958 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1smy h GLU 958 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1smy h GLU 958 CO 0.62 0.14 0.00 -0.85 -1.18 0.00 0.00 179.01 177.74 1smy n GLU 959 N -4.15 0.15 0.11 1.92 0.00 -1.26 -3.65 120.64 113.77 1smy n GLU 959 Ca -0.02 0.42 -0.11 0.00 0.00 0.00 0.00 57.16 57.45 1smy n GLU 959 Cb 0.22 -1.82 -0.07 0.00 0.00 0.00 0.00 31.44 29.78 1smy n GLU 959 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1smy h LYS 960 N 0.00 -0.54 -0.98 3.44 3.64 -1.77 0.27 116.57 120.62 1smy h LYS 960 Ca 0.00 0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.63 1smy h LYS 960 Cb 0.29 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.15 1smy h LYS 960 CO 0.00 -0.36 0.62 1.57 -2.27 0.00 0.00 179.45 179.01 1smy h LYS 961 N -0.56 0.51 0.15 1.90 5.09 -1.80 0.22 116.57 122.07 1smy h LYS 961 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.69 1smy h LYS 961 Cb 0.54 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 32.75 1smy h LYS 961 CO -0.15 0.34 -0.07 1.96 -2.09 0.00 0.00 179.45 179.44 1smy h GLN 962 N 0.53 -0.19 -0.76 0.07 4.20 -1.46 0.37 115.11 117.87 1smy h GLN 962 Ca 0.54 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.48 1smy h GLN 962 Cb 1.16 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 1smy h GLN 962 CO -0.28 -0.13 0.75 1.88 -0.67 0.00 0.00 178.83 180.39 1smy h TYR 963 N -0.24 0.00 0.20 2.96 -1.99 -0.07 0.29 116.97 118.12 1smy h TYR 963 Ca -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1smy h TYR 963 Cb 0.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.88 1smy h TYR 963 CO 0.14 0.00 -0.10 -0.07 -0.00 0.00 0.00 178.16 178.14 1smy h LEU 964 N 0.00 -0.23 -0.63 3.88 3.38 -0.48 -2.87 115.31 118.36 1smy h LEU 964 Ca 0.36 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1smy h LEU 964 Cb 1.86 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.63 1smy h LEU 964 CO -0.00 0.28 0.40 -0.08 0.09 0.00 0.00 178.44 179.13 1smy h GLU 965 N -1.02 0.79 0.43 1.13 4.57 0.14 0.59 114.58 121.20 1smy h GLU 965 Ca -0.03 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1smy h GLU 965 Cb 0.36 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1smy h GLU 965 CO 0.05 0.52 -0.45 1.49 -1.18 0.00 0.00 179.01 179.44 1smy h GLU 966 N 0.81 -0.85 -0.12 1.92 4.81 -0.69 0.12 114.58 120.58 1smy h GLU 966 Ca 0.24 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.57 1smy h GLU 966 Cb -0.03 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1smy h GLU 966 CO -0.08 -0.57 0.12 0.00 -0.73 0.00 0.00 179.01 177.75 1smy h ALA 967 N -1.00 1.80 0.64 2.92 0.00 -1.31 -1.80 119.26 120.51 1smy h ALA 967 Ca -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1smy h ALA 967 Cb 0.77 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1smy h ALA 967 CO -0.06 -0.18 -0.31 0.22 0.00 0.00 0.00 179.25 178.92 1smy h ASP 968 N 0.00 -0.73 -0.85 0.00 1.82 0.20 -1.23 116.42 115.63 1smy h ASP 968 Ca 0.06 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1smy h ASP 968 Cb 0.30 0.19 -0.04 0.00 0.68 0.00 0.00 39.33 40.45 1smy h ASP 968 CO -0.00 -0.42 0.51 0.08 -1.61 0.00 0.00 179.24 177.80 1smy h ARG 969 N -1.03 1.17 -0.24 0.28 0.11 -0.38 0.40 114.38 114.69 1smy h ARG 969 Ca -0.09 -0.11 0.05 0.00 0.10 0.00 0.00 59.98 59.94 1smy h ARG 969 Cb 0.70 -0.24 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 1smy h ARG 969 CO 0.14 0.82 0.16 0.87 0.10 0.00 0.00 179.97 182.07 1smy h LYS 970 N 1.18 0.08 -0.09 0.08 1.57 -1.23 0.47 116.57 118.64 1smy h LYS 970 Ca 0.31 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1smy h LYS 970 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1smy h LYS 970 CO -0.06 0.05 -0.34 1.25 -0.57 0.00 0.00 179.45 179.79 1smy h LEU 971 N 0.08 0.17 -0.58 2.94 5.85 0.33 -2.24 115.31 121.86 1smy h LEU 971 Ca 0.11 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 1smy h LEU 971 Cb 0.33 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1smy h LEU 971 CO -0.01 0.50 -0.17 0.25 -0.34 0.00 0.00 178.44 178.67 1smy h LEU 972 N 0.15 0.96 -0.16 2.25 5.85 0.25 -2.47 115.31 122.14 1smy h LEU 972 Ca 0.02 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.43 1smy h LEU 972 Cb 0.67 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1smy h LEU 972 CO 0.05 1.12 -0.03 1.56 -0.34 0.00 0.00 178.44 180.80 1smy h GLN 973 N 0.83 0.02 -0.59 1.25 4.20 -0.74 0.14 115.11 120.23 1smy h GLN 973 Ca 0.12 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.93 1smy h GLN 973 Cb 0.73 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 1smy h GLN 973 CO 0.06 0.01 0.39 0.82 -0.67 0.00 0.00 178.83 179.44 1smy h ILE 974 N 0.02 0.89 -0.03 2.54 2.04 -1.29 0.76 117.51 122.43 1smy h ILE 974 Ca 0.08 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1smy h ILE 974 Cb 0.11 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1smy h ILE 974 CO -0.15 0.07 -0.07 -0.33 0.00 0.00 0.00 178.15 177.67 1smy h GLU 975 N 0.37 0.10 -0.88 2.37 4.39 -0.73 -2.43 114.58 117.78 1smy h GLU 975 Ca 0.27 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.93 1smy h GLU 975 Cb 0.57 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 1smy h GLU 975 CO -0.07 0.67 0.57 1.96 -1.16 0.00 0.00 179.01 180.98 1smy h GLN 976 N -0.45 1.09 0.00 2.33 7.50 -0.14 0.26 115.11 125.70 1smy h GLN 976 Ca -0.00 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.08 1smy h GLN 976 Cb 0.67 -0.25 0.00 0.00 0.05 0.00 0.00 27.48 27.95 1smy h GLN 976 CO 0.02 0.72 0.00 0.00 -1.50 0.00 0.00 178.83 178.07 1smy h ALA 977 N 1.35 1.00 0.02 3.87 0.00 -0.86 -2.89 119.26 121.76 1smy h ALA 977 Ca 0.34 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.86 1smy h ALA 977 Cb -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1smy h ALA 977 CO -0.10 0.00 -2.26 0.98 0.00 0.00 0.00 179.25 177.87 1smy n TYR 978 N -2.78 0.37 0.06 0.00 9.36 -0.00 -2.92 117.16 121.25 1smy n TYR 978 Ca -0.01 0.11 0.21 0.00 3.32 0.00 0.00 57.90 61.53 1smy n TYR 978 Cb 0.15 -1.04 0.73 0.00 -0.63 0.00 0.00 39.34 38.55 1smy n TYR 978 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1smy h GLU 979 N -0.39 0.00 0.12 2.98 4.81 -0.45 -0.97 114.58 120.68 1smy h GLU 979 Ca -0.56 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.51 1smy h GLU 979 Cb 1.77 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.17 1smy h GLU 979 CO -0.16 0.00 -0.70 0.52 -0.73 0.00 0.00 179.01 177.93 1smy h MET 980 N 0.00 0.25 0.00 1.92 2.86 -1.69 -3.49 114.93 114.79 1smy h MET 980 Ca 0.22 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1smy h MET 980 Cb 1.20 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1smy h MET 980 CO -0.00 1.21 0.00 0.41 1.06 0.00 0.00 176.91 179.59 1smy n GLY 981 N 1.66 1.61 0.10 8.32 0.00 -0.37 -5.06 105.19 111.45 1smy n GLY 981 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1smy n GLY 981 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1smy h PHE 982 N 0.00 -0.11 -3.15 1.61 -1.00 -1.74 -3.46 116.94 109.10 1smy h PHE 982 Ca 0.00 -0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.19 1smy h PHE 982 Cb 0.00 0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.55 1smy h PHE 982 CO 0.00 0.44 -0.26 -0.51 -1.61 0.00 0.00 178.31 176.37 1smy s LEU 983 N -8.86 4.31 0.62 1.54 1.43 -1.22 -5.07 118.68 111.43 1smy s LEU 983 Ca -0.14 0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 53.57 1smy s LEU 983 Cb -0.00 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 1smy s LEU 983 CO 0.54 0.12 1.05 0.28 0.23 0.00 0.00 176.35 178.57 1smy s THR 984 N -1.50 4.07 0.39 5.49 -1.32 -1.26 -4.80 115.64 116.72 1smy s THR 984 Ca 0.36 0.84 0.21 0.00 -1.21 0.00 0.00 61.69 61.90 1smy s THR 984 Cb -0.13 -3.48 0.40 0.00 -1.51 0.00 0.00 72.50 67.78 1smy s THR 984 CO 0.20 -0.72 1.67 -0.78 -2.21 0.00 0.00 174.62 172.78 1smy h ASP 985 N 0.02 0.39 0.03 8.08 3.58 -1.99 0.92 116.42 127.45 1smy h ASP 985 Ca -0.45 0.15 -0.10 0.00 0.42 0.00 0.00 57.03 57.05 1smy h ASP 985 Cb 1.21 0.11 0.01 0.00 1.72 0.00 0.00 39.33 42.37 1smy h ASP 985 CO 0.58 -0.11 -0.40 -0.09 -2.88 0.00 0.00 179.24 176.34 1smy h ARG 986 N 0.24 0.21 -0.60 0.28 9.65 -2.01 -3.29 114.38 118.86 1smy h ARG 986 Ca 0.74 -0.27 0.12 0.00 -1.10 0.00 0.00 59.98 59.46 1smy h ARG 986 Cb 1.98 0.09 -0.12 0.00 -1.39 0.00 0.00 29.97 30.53 1smy h ARG 986 CO -0.47 1.04 -0.21 0.93 2.80 0.00 0.00 179.97 184.06 1smy h GLU 987 N -0.49 -0.06 -0.59 0.20 5.08 -1.19 -1.08 114.58 116.45 1smy h GLU 987 Ca -0.06 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1smy h GLU 987 Cb 1.21 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.37 1smy h GLU 987 CO 0.08 -0.04 -0.51 -0.09 -1.00 0.00 0.00 179.01 177.45 1smy h ARG 988 N -0.06 -0.24 0.00 2.33 1.12 -1.46 0.14 114.38 116.20 1smy h ARG 988 Ca 0.28 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.17 1smy h ARG 988 Cb 0.50 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 1smy h ARG 988 CO -0.65 -0.16 0.00 0.98 -3.11 0.00 0.00 179.97 177.03 1smy n TYR 989 N -5.37 0.00 -0.25 2.20 9.36 -0.47 -1.08 117.16 121.55 1smy n TYR 989 Ca 0.00 0.00 0.28 0.00 3.32 0.00 0.00 57.90 61.50 1smy n TYR 989 Cb 0.33 -0.48 0.65 0.00 -0.63 0.00 0.00 39.34 39.22 1smy n TYR 989 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1smy h ASP 990 N 0.00 0.16 0.15 2.98 5.19 -1.27 0.30 116.42 123.94 1smy h ASP 990 Ca 0.00 0.02 -0.21 0.00 -0.62 0.00 0.00 57.03 56.22 1smy h ASP 990 Cb 0.00 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1smy h ASP 990 CO 0.00 0.04 -0.82 1.56 -3.12 0.00 0.00 179.24 176.91 1smy h GLN 991 N 0.15 0.53 0.60 3.56 4.20 -0.68 -2.50 115.11 120.96 1smy h GLN 991 Ca 0.50 -0.47 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1smy h GLN 991 Cb 1.72 0.11 0.01 0.00 0.30 0.00 0.00 27.48 29.62 1smy h GLN 991 CO -0.09 1.10 -0.29 0.82 -0.67 0.00 0.00 178.83 179.70 1smy h ILE 992 N 0.35 0.25 -0.81 2.54 2.04 0.12 -2.52 117.51 119.48 1smy h ILE 992 Ca -0.06 -0.33 0.19 0.00 1.00 0.00 0.00 64.86 65.66 1smy h ILE 992 Cb 1.43 0.34 -0.12 0.00 -0.74 0.00 0.00 36.82 37.72 1smy h ILE 992 CO 0.15 0.03 0.25 -0.07 0.00 0.00 0.00 178.15 178.51 1smy h LEU 993 N -1.06 0.10 -0.16 1.44 3.38 -1.41 -0.27 115.31 117.33 1smy h LEU 993 Ca -0.08 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1smy h LEU 993 Cb 0.67 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1smy h LEU 993 CO 0.13 -0.05 -0.35 -0.61 0.09 0.00 0.00 178.44 177.66 1smy h GLN 994 N 0.30 -0.31 -0.80 1.13 5.75 -1.36 0.27 115.11 120.09 1smy h GLN 994 Ca 0.48 0.02 0.14 0.00 -0.15 0.00 0.00 58.65 59.14 1smy h GLN 994 Cb 0.88 0.07 -0.14 0.00 1.07 0.00 0.00 27.48 29.36 1smy h GLN 994 CO -0.54 -0.20 -0.34 1.25 -2.65 0.00 0.00 178.83 176.34 1smy h LEU 995 N -0.32 -1.22 0.37 -2.39 5.85 -0.62 0.15 115.31 117.13 1smy h LEU 995 Ca 0.03 0.27 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1smy h LEU 995 Cb 0.40 0.65 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1smy h LEU 995 CO -0.32 -0.29 -0.18 -0.50 -0.34 0.00 0.00 178.44 176.81 1smy h TRP 996 N -0.07 -0.46 -1.15 1.25 -0.00 -0.67 0.32 115.95 115.17 1smy h TRP 996 Ca 0.31 -0.01 0.35 0.00 -0.00 0.00 0.00 58.89 59.53 1smy h TRP 996 Cb 0.58 0.15 -0.12 0.00 -0.00 0.00 0.00 29.16 29.77 1smy h TRP 996 CO -0.74 -0.25 0.73 1.15 -0.00 0.00 0.00 178.44 179.33 1smy h THR 997 N -0.55 0.32 0.27 1.49 2.02 0.94 1.03 112.91 118.44 1smy h THR 997 Ca -0.05 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1smy h THR 997 Cb 0.41 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1smy h THR 997 CO 0.08 0.05 -0.13 -0.33 0.37 0.00 0.00 175.52 175.56 1smy h GLU 998 N 0.25 -0.36 -0.88 6.66 5.08 -0.17 -2.84 114.58 122.33 1smy h GLU 998 Ca 0.71 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 59.29 1smy h GLU 998 Cb 1.98 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 31.20 1smy h GLU 998 CO -0.40 -0.21 0.41 1.15 -1.00 0.00 0.00 179.01 178.96 1smy h THR 999 N -1.09 0.56 0.45 1.13 2.02 0.17 0.78 112.91 116.93 1smy h THR 999 Ca -0.04 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1smy h THR 999 Cb 0.31 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1smy h THR 999 CO 0.06 0.09 -0.32 0.74 0.37 0.00 0.00 175.52 176.46 1smy h THR 1000N 0.48 0.00 -0.28 3.16 2.02 0.91 -0.84 112.91 118.36 1smy h THR 1000Ca 0.53 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.79 1smy h THR 1000Cb 0.93 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1smy h THR 1000CO -0.47 0.00 0.52 -0.08 0.37 0.00 0.00 175.52 175.86 1smy h GLU 1001N -0.74 0.00 0.34 6.66 4.57 -1.03 -1.07 114.58 123.32 1smy h GLU 1001Ca -0.06 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1smy h GLU 1001Cb 0.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1smy h GLU 1001CO 0.03 0.00 -0.16 0.87 -1.18 0.00 0.00 179.01 178.57 1smy h LYS 1002N 0.00 -0.44 -0.66 1.92 1.57 0.51 -3.07 116.57 116.40 1smy h LYS 1002Ca 0.13 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1smy h LYS 1002Cb 1.18 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 1smy h LYS 1002CO -0.00 -0.12 0.44 0.28 -0.57 0.00 0.00 179.45 179.48 1smy h VAL 1003N -0.95 1.09 -0.03 0.50 2.07 -0.47 -1.25 116.25 117.22 1smy h VAL 1003Ca -0.05 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1smy h VAL 1003Cb 0.52 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1smy h VAL 1003CO 0.08 0.14 -0.25 0.74 0.02 0.00 0.00 177.57 178.30 1smy h THR 1004N 0.79 0.43 0.00 2.57 2.02 -1.48 0.51 112.91 117.75 1smy h THR 1004Ca 0.27 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 1smy h THR 1004Cb 0.07 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1smy h THR 1004CO -0.07 0.00 -0.13 -0.61 0.37 0.00 0.00 175.52 175.07 1smy h GLN 1005N -0.37 0.00 -0.06 6.66 4.15 -1.35 -2.88 115.11 121.27 1smy h GLN 1005Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 1smy h GLN 1005Cb 0.47 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 1smy h GLN 1005CO -0.24 0.13 -0.02 0.00 -1.93 0.00 0.00 178.83 176.77 1smy h ALA 1006N 1.87 0.08 -0.45 3.38 0.00 0.59 -1.78 119.26 122.95 1smy h ALA 1006Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1smy h ALA 1006Cb 0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1smy h ALA 1006CO 0.02 -0.19 0.21 -0.39 0.00 0.00 0.00 179.25 178.91 1smy h VAL 1007N -0.25 1.18 -0.67 0.00 -1.51 0.04 -1.41 116.25 113.63 1smy h VAL 1007Ca 0.01 -0.52 -0.01 0.00 -1.23 0.00 0.00 66.70 64.95 1smy h VAL 1007Cb 0.44 0.70 -0.03 0.00 -2.13 0.00 0.00 31.29 30.27 1smy h VAL 1007CO 0.01 0.20 0.37 -0.26 -1.23 0.00 0.00 177.57 176.66 1smy h PHE 1008N 0.58 0.92 -0.50 5.19 -1.00 -1.57 -0.40 116.94 120.17 1smy h PHE 1008Ca 0.15 -0.02 0.10 0.00 2.81 0.00 0.00 57.97 61.02 1smy h PHE 1008Cb 0.12 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 1smy h PHE 1008CO -0.01 0.65 0.34 0.87 -1.61 0.00 0.00 178.31 178.55 1smy h LYS 1009N 0.92 0.23 0.32 1.51 1.57 -0.89 0.57 116.57 120.79 1smy h LYS 1009Ca 0.24 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1smy h LYS 1009Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1smy h LYS 1009CO -0.04 0.15 -0.15 -0.97 -0.57 0.00 0.00 179.45 177.87 1smy h ASN 1010N 0.23 -0.36 0.25 0.86 -0.73 -0.00 -1.80 115.58 114.03 1smy h ASN 1010Ca 0.23 -0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 1smy h ASN 1010Cb 0.61 0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.30 1smy h ASN 1010CO -0.04 -0.05 -0.12 -0.26 -0.37 0.00 0.00 177.43 176.58 1smy h PHE 1011N -0.68 -0.32 -0.47 0.67 0.04 -0.32 0.36 116.94 116.22 1smy h PHE 1011Ca -0.04 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.85 1smy h PHE 1011Cb 0.48 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 1smy h PHE 1011CO 0.01 -0.19 0.33 1.49 -0.60 0.00 0.00 178.31 179.35 1smy h GLU 1012N -0.36 0.05 0.00 1.51 4.81 0.00 -2.10 114.58 118.49 1smy h GLU 1012Ca -0.03 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 1smy h GLU 1012Cb 0.27 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1smy h GLU 1012CO 0.06 0.03 -0.98 0.39 -0.73 0.00 0.00 179.01 177.78 1smy n GLU 1013N -4.41 0.52 -0.08 1.92 1.02 -0.68 -4.72 120.64 114.20 1smy n GLU 1013Ca 0.08 0.54 -0.11 0.00 -0.02 0.00 0.00 57.16 57.66 1smy n GLU 1013Cb 0.51 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 1smy n GLU 1013CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1smy n ASN 1014N -4.51 1.84 -4.21 1.62 3.02 0.12 -4.77 115.26 108.37 1smy n ASN 1014Ca -0.22 0.54 -0.40 0.00 -0.03 0.00 0.00 54.58 54.47 1smy n ASN 1014Cb 0.51 -0.88 -0.04 0.00 -0.61 0.00 0.00 39.78 38.76 1smy n ASN 1014CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1smy s TYR 1015N -2.36 4.02 0.35 3.10 2.02 -0.81 -4.86 117.35 118.81 1smy s TYR 1015Ca -0.21 -2.83 0.34 0.00 -0.37 0.00 0.00 57.07 54.00 1smy s TYR 1015Cb 0.04 -3.50 1.63 0.00 -0.40 0.00 0.00 41.96 39.73 1smy s TYR 1015CO 0.35 -0.84 2.10 -1.35 -1.57 0.00 0.00 175.55 174.24 1smy h PRO 1016N 6.40 0.00 -0.48 -1.71 0.11 -1.80 -2.81 132.00 131.71 1smy h PRO 1016Ca 0.16 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.97 1smy h PRO 1016Cb 0.85 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.78 1smy h PRO 1016CO 0.91 0.05 -0.14 1.19 -0.21 0.00 0.00 178.00 179.80 1smy n PHE 1017N -3.28 1.59 -2.22 0.65 3.01 -1.26 -4.73 117.46 111.22 1smy n PHE 1017Ca -0.01 -1.87 -0.41 0.00 1.01 0.00 0.00 57.45 56.17 1smy n PHE 1017Cb 0.23 -0.56 -0.03 0.00 -0.01 0.00 0.00 39.48 39.12 1smy n PHE 1017CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1smy s ASN 1018N -2.70 6.91 0.00 4.37 3.84 -1.06 -4.91 114.94 121.39 1smy s ASN 1018Ca 0.48 2.53 0.00 0.00 0.21 0.00 0.00 52.86 56.08 1smy s ASN 1018Cb 0.42 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.48 1smy s ASN 1018CO 0.00 -0.45 0.94 -2.65 -2.79 0.00 0.00 177.10 172.16 1smy n PRO 1019N 1.32 0.00 -0.28 0.43 -0.02 -1.26 -1.52 135.00 133.67 1smy n PRO 1019Ca 0.01 0.77 0.10 0.00 -2.02 0.00 0.00 63.50 62.36 1smy n PRO 1019Cb 0.43 -1.44 0.25 0.00 -0.02 0.00 0.00 33.50 32.71 1smy n PRO 1019CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1smy h LEU 1020N 0.00 0.02 -0.60 2.45 5.85 -1.86 -1.58 115.31 119.58 1smy h LEU 1020Ca 0.00 0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 1smy h LEU 1020Cb 0.00 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1smy h LEU 1020CO 0.00 -0.10 -0.06 0.22 -0.34 0.00 0.00 178.44 178.17 1smy h TYR 1021N 0.25 1.15 -0.46 1.25 5.03 -1.87 -3.03 116.97 119.29 1smy h TYR 1021Ca 0.50 -0.22 -0.02 0.00 2.58 0.00 0.00 58.73 61.57 1smy h TYR 1021Cb 0.94 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 1smy h TYR 1021CO -0.26 1.04 0.20 0.28 -1.32 0.00 0.00 178.16 178.10 1smy h VAL 1022N 0.94 1.19 -0.89 1.81 2.07 -0.26 -2.14 116.25 118.97 1smy h VAL 1022Ca 0.16 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1smy h VAL 1022Cb 0.62 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1smy h VAL 1022CO 0.04 0.22 0.58 0.24 0.02 0.00 0.00 177.57 178.67 1smy h MET 1023N 0.59 1.01 0.35 1.57 2.86 -1.44 -1.62 114.93 118.26 1smy h MET 1023Ca 0.15 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1smy h MET 1023Cb 0.15 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1smy h MET 1023CO -0.02 0.67 -0.17 0.00 1.06 0.00 0.00 176.91 178.45 1smy h ALA 1024N 1.50 -0.48 0.02 6.32 0.00 -1.06 0.80 119.26 126.36 1smy h ALA 1024Ca 0.37 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1smy h ALA 1024Cb 0.13 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1smy h ALA 1024CO -0.13 -0.50 -0.22 1.96 0.00 0.00 0.00 179.25 180.36 1smy h GLN 1025N -1.01 -0.35 -7.24 0.00 1.08 -1.36 -3.41 115.11 102.82 1smy h GLN 1025Ca -0.05 0.02 -0.53 0.00 -1.45 0.00 0.00 58.65 56.65 1smy h GLN 1025Cb 0.50 0.08 0.17 0.00 -0.05 0.00 0.00 27.48 28.18 1smy h GLN 1025CO 0.08 -0.23 0.31 -1.54 -0.95 0.00 0.00 178.83 176.50 1smy s SER 1026N -4.91 3.70 0.64 1.46 1.04 -0.61 -4.82 113.70 110.19 1smy s SER 1026Ca -0.15 2.21 0.32 0.00 0.48 0.00 0.00 55.95 58.81 1smy s SER 1026Cb 0.09 -2.57 1.75 0.00 0.10 0.00 0.00 66.02 65.39 1smy s SER 1026CO 0.66 -2.59 2.04 1.23 0.98 0.00 0.00 173.24 175.56 1smy h GLY 1027N -1.08 0.00 0.00 7.32 0.00 -1.80 -3.38 103.07 104.14 1smy h GLY 1027Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1smy h GLY 1027CO 0.46 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.00 1smy n ALA 1028N -2.10 0.00 -3.51 3.60 0.00 -1.23 -4.86 120.51 112.40 1smy n ALA 1028Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1smy n ALA 1028Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 1smy n ALA 1028CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1smy s ARG 1029N 0.00 0.87 0.00 0.00 6.06 0.27 -4.56 118.95 121.59 1smy s ARG 1029Ca 0.00 0.54 0.00 0.00 -2.50 0.00 0.00 55.73 53.77 1smy s ARG 1029Cb 0.00 0.42 0.00 0.00 0.06 0.00 0.00 34.95 35.43 1smy s ARG 1029CO 0.00 -0.20 0.00 0.41 -2.50 0.00 0.00 175.30 173.01 1smy n GLY 1030N 1.86 3.61 3.82 8.12 0.00 -1.26 -2.10 105.19 119.24 1smy n GLY 1030Ca -0.17 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 1smy n GLY 1030CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1smy s ASN 1031N 0.00 6.04 0.17 1.61 3.84 -1.26 -4.55 114.94 120.79 1smy s ASN 1031Ca 0.00 0.36 -0.23 0.00 0.21 0.00 0.00 52.86 53.20 1smy s ASN 1031Cb 0.00 -1.88 0.07 0.00 -0.55 0.00 0.00 41.25 38.89 1smy s ASN 1031CO 0.00 0.39 1.59 -0.65 -2.79 0.00 0.00 177.10 175.64 1smy h PRO 1032N 4.92 -0.23 -0.58 0.43 0.11 -1.99 0.59 132.00 135.25 1smy h PRO 1032Ca -0.53 0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.67 1smy h PRO 1032Cb 1.22 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 1smy h PRO 1032CO 0.58 -0.15 0.23 1.96 -0.21 0.00 0.00 178.00 180.40 1smy h GLN 1033N -0.23 0.41 0.34 1.05 7.50 -1.99 -1.36 115.11 120.82 1smy h GLN 1033Ca 0.18 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.31 1smy h GLN 1033Cb 0.54 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.95 1smy h GLN 1033CO -0.57 0.27 -0.50 1.96 -1.50 0.00 0.00 178.83 178.49 1smy h GLN 1034N 0.42 -0.85 -0.75 1.46 4.20 -1.38 -2.22 115.11 115.99 1smy h GLN 1034Ca 0.29 0.06 0.14 0.00 0.06 0.00 0.00 58.65 59.20 1smy h GLN 1034Cb 0.32 0.19 -0.14 0.00 0.30 0.00 0.00 27.48 28.15 1smy h GLN 1034CO -0.27 -0.57 -0.23 0.82 -0.67 0.00 0.00 178.83 177.91 1smy h ILE 1035N -0.88 0.20 -0.88 2.54 1.08 -0.57 0.36 117.51 119.37 1smy h ILE 1035Ca -0.03 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.66 1smy h ILE 1035Cb 0.81 0.20 -0.13 0.00 -3.07 0.00 0.00 36.82 34.63 1smy h ILE 1035CO -0.15 0.00 0.30 -0.09 -0.69 0.00 0.00 178.15 177.52 1smy h ARG 1036N -0.03 0.27 0.00 2.37 2.43 -0.74 0.65 114.38 119.33 1smy h ARG 1036Ca 0.34 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1smy h ARG 1036Cb 0.56 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1smy h ARG 1036CO -0.78 0.18 -0.06 1.96 -1.51 0.00 0.00 179.97 179.76 1smy h GLN 1037N 0.28 0.00 0.00 0.20 1.08 0.30 0.15 115.11 117.12 1smy h GLN 1037Ca 0.55 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.74 1smy h GLN 1037Cb 1.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1smy h GLN 1037CO -0.60 0.06 -0.43 -0.07 -0.95 0.00 0.00 178.83 176.83 1smy h LEU 1038N 0.00 0.00 0.07 1.46 4.07 0.40 0.23 115.31 121.54 1smy h LEU 1038Ca -0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1smy h LEU 1038Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1smy h LEU 1038CO 0.01 0.75 -0.03 0.00 -1.08 0.00 0.00 178.44 178.08 1smy n GLY 1040N 1.55 0.38 0.00 0.00 0.00 -0.98 -4.65 105.19 101.50 1smy n GLY 1040Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1smy n GLY 1040CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1smy n LEU 1041N 0.00 0.00 -4.68 0.99 -0.00 0.50 -3.95 117.00 109.87 1smy n LEU 1041Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 1smy n LEU 1041Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1smy n LEU 1041CO 0.00 0.00 0.54 0.00 -0.00 0.00 0.00 177.39 177.93 1smy s ARG 1042N -1.63 4.30 -0.14 1.47 1.70 -1.19 -4.46 118.95 119.00 1smy s ARG 1042Ca 0.00 0.93 -0.09 0.00 -0.47 0.00 0.00 55.73 56.10 1smy s ARG 1042Cb 0.00 -3.55 -0.06 0.00 -0.57 0.00 0.00 34.95 30.76 1smy s ARG 1042CO 0.00 -0.25 -0.21 0.41 -1.08 0.00 0.00 175.30 174.17 1smy n GLY 1043N 3.47 -0.28 3.12 3.88 0.00 -1.26 -3.76 105.19 110.37 1smy n GLY 1043Ca 0.03 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1smy n GLY 1043CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smy s LEU 1044N -7.01 4.06 -0.08 0.99 1.43 -1.26 0.45 118.68 117.26 1smy s LEU 1044Ca -0.21 -1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 51.33 1smy s LEU 1044Cb 0.07 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1smy s LEU 1044CO 0.28 -0.29 0.12 -0.04 0.23 0.00 0.00 176.35 176.64 1smy s MET 1045N 1.16 3.33 0.55 1.70 -1.94 -1.26 -4.97 119.30 117.86 1smy s MET 1045Ca -0.02 -0.25 -0.04 0.00 -1.71 0.00 0.00 55.69 53.67 1smy s MET 1045Cb -0.20 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.56 1smy s MET 1045CO -0.03 0.73 0.84 1.14 -0.01 0.00 0.00 175.02 177.69 1smy s GLN 1046N -1.26 2.97 1.00 2.03 -2.07 -1.26 -2.12 119.66 118.96 1smy s GLN 1046Ca 0.18 -0.13 -0.16 0.00 -1.82 0.00 0.00 55.36 53.43 1smy s GLN 1046Cb -0.12 -2.35 0.20 0.00 -1.09 0.00 0.00 33.01 29.65 1smy s GLN 1046CO 0.08 -0.57 1.23 0.15 -1.32 0.00 0.00 175.29 174.85 1smy s LYS 1047N -4.87 0.39 0.12 9.60 1.02 -1.04 -4.07 119.74 120.89 1smy s LYS 1047Ca 0.52 -0.17 -0.29 0.00 0.02 0.00 0.00 55.97 56.05 1smy s LYS 1047Cb -0.10 -1.79 -0.07 0.00 -0.52 0.00 0.00 37.83 35.34 1smy s LYS 1047CO 0.43 -2.62 1.59 -1.35 -0.92 0.00 0.00 175.35 172.48 1smy h PRO 1048N -1.79 -0.53 0.00 -1.68 0.11 -1.91 -3.18 132.00 123.02 1smy h PRO 1048Ca -0.46 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1smy h PRO 1048Cb 1.27 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1smy h PRO 1048CO 0.43 -0.36 0.00 -1.13 -0.21 0.00 0.00 178.00 176.74 1smy n SER 1049N -5.44 0.00 0.00 -2.05 3.41 -1.26 -4.93 113.62 103.34 1smy n SER 1049Ca -0.06 0.92 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 1smy n SER 1049Cb 0.36 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1smy n SER 1049CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1smy n GLY 1050N -0.95 0.40 3.51 5.00 0.00 -1.20 -5.09 105.19 106.85 1smy n GLY 1050Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1smy n GLY 1050CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1smy n GLU 1051N 0.00 0.52 -1.60 1.61 0.28 -1.26 -4.23 120.64 115.96 1smy n GLU 1051Ca 0.00 0.02 -0.38 0.00 -0.16 0.00 0.00 57.16 56.64 1smy n GLU 1051Cb 0.00 -2.38 0.05 0.00 1.43 0.00 0.00 31.44 30.54 1smy n GLU 1051CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1smy n THR 1052N 7.66 3.43 -0.83 3.84 -2.24 -1.26 -2.50 114.28 122.37 1smy n THR 1052Ca 0.52 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 61.49 1smy n THR 1052Cb 0.26 -1.11 0.16 0.00 -2.10 0.00 0.00 70.33 67.53 1smy n THR 1052CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1smy s PHE 1053N -1.51 1.84 0.03 4.78 0.40 -0.90 -4.72 117.98 117.90 1smy s PHE 1053Ca 0.74 1.65 0.08 0.00 -0.60 0.00 0.00 56.93 58.80 1smy s PHE 1053Cb -0.43 -3.25 -0.23 0.00 0.51 0.00 0.00 43.02 39.62 1smy s PHE 1053CO 0.49 -2.67 0.93 1.49 0.70 0.00 0.00 175.22 176.16 1smy h GLU 1054N -1.77 0.04 -5.64 0.44 4.81 -1.91 -3.45 114.58 107.09 1smy h GLU 1054Ca -0.45 -0.07 -0.61 0.00 -0.13 0.00 0.00 59.36 58.09 1smy h GLU 1054Cb 1.27 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.59 1smy h GLU 1054CO 0.45 0.80 -0.34 0.08 -0.73 0.00 0.00 179.01 179.27 1smy s VAL 1055N -2.64 5.29 0.65 0.32 1.01 -1.26 -4.79 120.40 118.98 1smy s VAL 1055Ca -0.03 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 1smy s VAL 1055Cb 0.09 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.96 1smy s VAL 1055CO 0.83 0.49 0.91 -2.16 0.00 0.00 0.00 175.10 175.17 1smy s PRO 1056N -0.28 2.11 -0.95 2.72 0.04 -1.26 -4.78 135.00 132.60 1smy s PRO 1056Ca 0.17 -0.85 -0.13 0.00 0.04 0.00 0.00 61.00 60.24 1smy s PRO 1056Cb -0.14 -2.37 0.22 0.00 0.04 0.00 0.00 34.50 32.26 1smy s PRO 1056CO 0.06 -1.11 0.96 0.08 0.04 0.00 0.00 177.00 177.02 1smy s VAL 1057N -3.00 5.58 0.63 -0.36 1.01 0.17 -4.92 120.40 119.51 1smy s VAL 1057Ca 0.62 -2.65 0.26 0.00 0.00 0.00 0.00 61.98 60.20 1smy s VAL 1057Cb -0.08 -4.58 0.31 0.00 0.00 0.00 0.00 36.38 32.04 1smy s VAL 1057CO 0.42 -1.17 1.74 0.03 0.00 0.00 0.00 175.10 176.11 1smy h ARG 1058N 7.54 0.00 -6.37 2.72 -0.00 -1.87 -3.37 114.38 113.04 1smy h ARG 1058Ca 0.15 0.00 -0.50 0.00 -0.50 0.00 0.00 59.98 59.13 1smy h ARG 1058Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.94 1smy h ARG 1058CO 0.90 0.00 -0.27 -1.12 0.00 0.00 0.00 179.97 179.48 1smy s SER 1059N -4.49 6.34 0.39 7.04 0.01 -1.26 -4.86 113.70 116.87 1smy s SER 1059Ca -0.03 0.41 0.08 0.00 1.31 0.00 0.00 55.95 57.71 1smy s SER 1059Cb 0.11 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 64.32 1smy s SER 1059CO 0.39 -0.17 0.45 -0.94 0.41 0.00 0.00 173.24 173.37 1smy s SER 1060N -3.65 5.45 0.44 2.44 1.04 -1.25 -3.20 113.70 114.97 1smy s SER 1060Ca 0.39 -0.50 0.24 0.00 0.48 0.00 0.00 55.95 56.56 1smy s SER 1060Cb -0.10 -0.77 0.77 0.00 0.10 0.00 0.00 66.02 66.01 1smy s SER 1060CO 0.32 -0.61 1.76 -0.26 0.98 0.00 0.00 173.24 175.43 1smy h PHE 1061N 0.91 0.00 -0.81 5.02 0.04 -0.58 -2.94 116.94 118.58 1smy h PHE 1061Ca -0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1smy h PHE 1061Cb 1.27 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.38 1smy h PHE 1061CO 0.46 0.18 0.52 -0.09 -0.60 0.00 0.00 178.31 178.78 1smy h ARG 1062N 0.00 1.07 -6.22 1.51 1.12 -1.57 -3.43 114.38 106.86 1smy h ARG 1062Ca -0.00 -0.08 -0.56 0.00 -1.11 0.00 0.00 59.98 58.24 1smy h ARG 1062Cb 0.85 -0.24 -0.02 0.00 -0.01 0.00 0.00 29.97 30.55 1smy h ARG 1062CO 0.02 0.73 -0.20 -2.00 -3.11 0.00 0.00 179.97 175.41 1smy s GLU 1063N -6.08 2.23 -0.53 0.20 2.12 -1.11 -5.03 118.70 110.50 1smy s GLU 1063Ca -0.13 -1.93 -0.26 0.00 0.36 0.00 0.00 54.97 53.01 1smy s GLU 1063Cb 0.16 -2.30 -0.06 0.00 0.26 0.00 0.00 34.13 32.18 1smy s GLU 1063CO 0.79 -0.80 2.26 0.20 -0.54 0.00 0.00 175.26 177.17 1smy s GLY 1064N -4.48 -0.28 -0.97 -1.50 0.00 -1.26 -4.57 107.32 94.26 1smy s GLY 1064Ca 0.45 -0.19 -0.24 0.00 0.00 0.00 0.00 44.72 44.74 1smy s GLY 1064CO 0.28 3.95 1.95 -2.27 0.00 0.00 0.00 173.10 177.01 1smy s LEU 1065N 11.41 3.13 1.00 0.66 2.96 -1.26 -4.91 118.68 131.68 1smy s LEU 1065Ca 0.89 -0.91 -0.21 0.00 -0.22 0.00 0.00 54.13 53.68 1smy s LEU 1065Cb -0.16 -2.57 -0.17 0.00 0.50 0.00 0.00 46.19 43.80 1smy s LEU 1065CO 0.24 -2.84 -1.10 0.35 -1.32 0.00 0.00 176.35 171.68 1smy n THR 1066N 7.87 0.00 0.00 3.68 -2.24 -1.26 -4.18 114.28 118.15 1smy n THR 1066Ca 0.41 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1smy n THR 1066Cb 0.47 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1smy n THR 1066CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1smy n VAL 1067N -2.89 0.00 -0.05 2.28 0.31 -1.26 0.80 118.33 117.52 1smy n VAL 1067Ca -0.02 1.12 -0.08 0.00 -0.01 0.00 0.00 64.34 65.35 1smy n VAL 1067Cb 0.64 -1.68 -0.02 0.00 -0.91 0.00 0.00 33.84 31.87 1smy n VAL 1067CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1smy h LEU 1068N 0.00 -0.32 -0.88 7.52 5.85 -1.98 0.41 115.31 125.91 1smy h LEU 1068Ca 0.00 0.08 0.24 0.00 0.84 0.00 0.00 57.88 59.04 1smy h LEU 1068Cb 0.00 0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.07 1smy h LEU 1068CO 0.00 -0.12 0.17 -0.33 -0.34 0.00 0.00 178.44 177.82 1smy h GLU 1069N -0.06 0.15 0.62 1.25 5.08 -1.81 1.36 114.58 121.17 1smy h GLU 1069Ca 0.12 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1smy h GLU 1069Cb 0.24 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1smy h GLU 1069CO -0.27 0.10 -0.30 -0.92 -1.00 0.00 0.00 179.01 176.62 1smy h TYR 1070N 0.15 -0.78 -0.81 4.33 5.03 0.37 -1.73 116.97 123.53 1smy h TYR 1070Ca 0.55 -0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.99 1smy h TYR 1070Cb 1.10 0.26 -0.10 0.00 1.55 0.00 0.00 36.73 39.54 1smy h TYR 1070CO -0.32 -0.45 0.38 0.35 -1.32 0.00 0.00 178.16 176.80 1smy h PHE 1071N -0.96 0.65 -0.50 -3.82 3.04 0.36 0.22 116.94 115.93 1smy h PHE 1071Ca -0.09 0.04 0.07 0.00 3.98 0.00 0.00 57.97 61.97 1smy h PHE 1071Cb 0.68 -0.17 -0.06 0.00 2.56 0.00 0.00 35.95 38.96 1smy h PHE 1071CO -0.01 0.12 0.17 0.82 -2.02 0.00 0.00 178.31 177.39 1smy h ILE 1072N 0.53 0.82 -0.75 1.41 1.08 0.17 -0.65 117.51 120.13 1smy h ILE 1072Ca 0.45 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.77 1smy h ILE 1072Cb 0.66 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 1smy h ILE 1072CO -0.39 0.06 0.34 -1.28 -0.69 0.00 0.00 178.15 176.19 1smy h SER 1073N 0.34 0.98 -0.48 1.72 0.87 0.27 -2.64 113.55 114.61 1smy h SER 1073Ca 0.24 -0.12 0.14 0.00 -1.23 0.00 0.00 61.79 60.82 1smy h SER 1073Cb 0.27 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1smy h SER 1073CO -0.25 0.84 0.44 0.77 -0.53 0.00 0.00 176.83 178.10 1smy h SER 1074N 1.07 0.00 0.50 6.23 4.64 0.61 -2.87 113.55 123.72 1smy h SER 1074Ca 0.26 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1smy h SER 1074Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1smy h SER 1074CO -0.03 0.00 -0.24 0.45 -0.87 0.00 0.00 176.83 176.14 1smy h HIS 1075N 0.00 -0.62 0.00 4.77 3.86 -1.37 -2.36 115.15 119.43 1smy h HIS 1075Ca 0.23 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1smy h HIS 1075Cb 1.10 0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.78 1smy h HIS 1075CO 0.00 -0.39 0.03 0.78 0.86 0.00 0.00 177.93 179.21 1smy h GLY 1076N -0.69 0.00 0.76 2.45 0.00 -1.66 -1.74 103.07 102.20 1smy h GLY 1076Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1smy h GLY 1076CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.66 1smy h ALA 1077N 1.92 0.14 0.10 3.60 0.00 -1.24 -2.87 119.26 120.91 1smy h ALA 1077Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1smy h ALA 1077Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1smy h ALA 1077CO 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 179.25 179.02 1smy h ARG 1078N -0.08 -0.13 -0.95 0.00 2.47 -1.10 -2.25 114.38 112.33 1smy h ARG 1078Ca 0.03 0.01 0.16 0.00 -1.26 0.00 0.00 59.98 58.92 1smy h ARG 1078Cb 0.34 0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.60 1smy h ARG 1078CO 0.00 -0.02 0.60 1.57 0.56 0.00 0.00 179.97 182.68 1smy h LYS 1079N -0.21 0.72 -0.48 0.04 2.10 -1.61 0.93 116.57 118.06 1smy h LYS 1079Ca -0.01 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.55 1smy h LYS 1079Cb 0.17 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 1smy h LYS 1079CO 0.02 0.48 0.15 0.78 -2.00 0.00 0.00 179.45 178.88 1smy h GLY 1080N 0.74 0.80 1.53 0.07 0.00 -1.25 -0.71 103.07 104.25 1smy h GLY 1080Ca 0.50 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 1smy h GLY 1080CO -0.26 0.44 -0.59 -1.33 0.00 0.00 0.00 176.54 174.80 1smy h GLY 1081N 0.64 0.53 2.00 4.60 0.00 -0.42 -2.51 103.07 107.91 1smy h GLY 1081Ca 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1smy h GLY 1081CO -0.00 0.58 0.00 0.00 0.00 0.00 0.00 176.54 177.11 1smy h ALA 1082N 0.99 1.00 0.16 3.60 0.00 0.11 -1.48 119.26 123.65 1smy h ALA 1082Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1smy h ALA 1082Cb 1.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1smy h ALA 1082CO 0.11 0.00 -1.36 0.22 0.00 0.00 0.00 179.25 178.21 1smy h ASP 1083N 0.00 0.54 -0.23 0.00 3.58 -0.83 -3.20 116.42 116.28 1smy h ASP 1083Ca 0.00 -0.91 -0.05 0.00 0.42 0.00 0.00 57.03 56.49 1smy h ASP 1083Cb 0.38 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1smy h ASP 1083CO 0.00 1.62 -0.05 0.71 -2.88 0.00 0.00 179.24 178.65 1smy h THR 1084N -0.15 1.28 0.12 2.25 1.35 -1.15 -3.12 112.91 113.49 1smy h THR 1084Ca -0.27 -1.03 0.02 0.00 -0.55 0.00 0.00 66.41 64.58 1smy h THR 1084Cb 1.89 1.48 -0.04 0.00 -1.73 0.00 0.00 68.15 69.75 1smy h THR 1084CO 0.15 0.32 -0.32 0.00 -0.25 0.00 0.00 175.52 175.42 1smy h ALA 1085N 0.76 -0.55 0.00 6.62 0.00 -1.43 0.75 119.26 125.41 1smy h ALA 1085Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1smy h ALA 1085Cb 0.50 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1smy h ALA 1085CO 0.02 -0.87 0.02 1.28 0.00 0.00 0.00 179.25 179.71 1smy n LEU 1086N -5.42 0.17 -0.10 0.00 4.77 -1.21 -2.18 117.00 113.03 1smy n LEU 1086Ca -0.07 0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 56.31 1smy n LEU 1086Cb 0.33 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 1smy n LEU 1086CO 0.23 -0.62 -1.19 -1.14 -1.33 0.00 0.00 177.39 173.34 1smy n ARG 1087N -1.72 0.49 0.03 3.23 3.00 -0.16 -4.46 116.66 117.07 1smy n ARG 1087Ca -0.00 0.14 0.22 0.00 -0.00 0.00 0.00 57.85 58.21 1smy n ARG 1087Cb 0.04 -1.36 0.72 0.00 0.00 0.00 0.00 32.46 31.85 1smy n ARG 1087CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1smy h THR 1088N -0.23 0.37 0.00 5.15 2.02 0.93 -2.89 112.91 118.26 1smy h THR 1088Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1smy h THR 1088Cb 1.64 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1smy h THR 1088CO -0.15 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.74 1smy n ALA 1089N -2.39 -0.10 -3.30 6.16 0.00 -1.08 -4.49 120.51 115.32 1smy n ALA 1089Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.17 1smy n ALA 1089Cb 0.75 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 20.20 1smy n ALA 1089CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1smy s ASP 1090N -2.38 5.13 0.09 0.00 3.68 -1.09 -4.95 116.67 117.15 1smy s ASP 1090Ca 0.00 -1.00 0.20 0.00 2.13 0.00 0.00 52.55 53.87 1smy s ASP 1090Cb 0.00 -1.84 -0.12 0.00 -1.45 0.00 0.00 42.92 39.51 1smy s ASP 1090CO 0.00 -0.26 0.82 -1.20 0.13 0.00 0.00 175.17 174.65 1smy n SER 1091N 4.80 0.70 -0.25 -0.34 7.64 -1.26 -3.99 113.62 120.92 1smy n SER 1091Ca -0.13 0.29 0.13 0.00 1.01 0.00 0.00 58.87 60.17 1smy n SER 1091Cb 0.46 0.54 0.42 0.00 -1.01 0.00 0.00 64.21 64.61 1smy n SER 1091CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1smy n GLY 1092N 1.32 -0.60 0.35 0.23 0.00 -1.26 -4.47 105.19 100.77 1smy n GLY 1092Ca -0.07 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 1smy n GLY 1092CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1smy h TYR 1093N 1.23 -1.39 0.75 1.61 5.03 -1.98 2.17 116.97 124.38 1smy h TYR 1093Ca 0.00 0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.35 1smy h TYR 1093Cb 0.49 0.66 0.01 0.00 1.55 0.00 0.00 36.73 39.44 1smy h TYR 1093CO 0.00 -0.37 -0.36 1.25 -1.32 0.00 0.00 178.16 177.36 1smy h LEU 1094N -0.24 -0.85 -2.01 2.82 5.85 -1.88 -2.81 115.31 116.19 1smy h LEU 1094Ca 0.07 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.90 1smy h LEU 1094Cb 0.44 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1smy h LEU 1094CO -0.54 -0.52 0.40 0.74 -0.34 0.00 0.00 178.44 178.18 1smy h THR 1095N -1.18 0.32 0.55 1.05 2.02 -1.68 -2.11 112.91 111.89 1smy h THR 1095Ca -0.10 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1smy h THR 1095Cb 0.79 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1smy h THR 1095CO 0.17 0.00 -0.27 -0.09 0.37 0.00 0.00 175.52 175.70 1smy h ARG 1096N 0.00 -0.71 -0.81 6.66 9.65 0.38 -1.57 114.38 127.98 1smy h ARG 1096Ca 0.15 0.05 0.17 0.00 -1.10 0.00 0.00 59.98 59.25 1smy h ARG 1096Cb 0.95 0.16 -0.15 0.00 -1.39 0.00 0.00 29.97 29.54 1smy h ARG 1096CO -0.00 -0.48 -0.12 0.87 2.80 0.00 0.00 179.97 183.04 1smy h LYS 1097N -0.83 0.03 -0.64 0.20 1.79 -1.29 0.17 116.57 116.00 1smy h LYS 1097Ca -0.08 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1smy h LYS 1097Cb 0.57 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.18 1smy h LYS 1097CO 0.12 0.02 0.27 -0.07 -1.08 0.00 0.00 179.45 178.71 1smy h LEU 1098N 0.03 0.85 -0.39 2.94 4.07 -1.47 -2.58 115.31 118.76 1smy h LEU 1098Ca 0.41 -0.11 -0.07 0.00 0.08 0.00 0.00 57.88 58.20 1smy h LEU 1098Cb 0.69 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1smy h LEU 1098CO -0.79 0.75 -0.33 0.58 -1.08 0.00 0.00 178.44 177.57 1smy h VAL 1099N 0.92 0.63 0.00 1.22 2.07 0.32 -1.89 116.25 119.52 1smy h VAL 1099Ca 0.22 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1smy h VAL 1099Cb 0.16 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1smy h VAL 1099CO -0.02 0.32 0.00 0.44 0.02 0.00 0.00 177.57 178.33 1smy h ASP 1100N 0.00 0.00 -0.03 0.57 3.32 -0.74 -2.56 116.42 116.98 1smy h ASP 1100Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1smy h ASP 1100Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1smy h ASP 1100CO 0.04 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.08 1smy n VAL 1101N -2.57 0.74 0.00 -1.35 0.31 -1.09 -4.65 118.33 109.72 1smy n VAL 1101Ca 0.03 -0.87 0.00 0.00 -0.01 0.00 0.00 64.34 63.49 1smy n VAL 1101Cb 0.38 0.64 0.00 0.00 -0.91 0.00 0.00 33.84 33.94 1smy n VAL 1101CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1smy n THR 1102N -0.26 0.00 0.08 2.52 -1.04 -0.72 -4.85 114.28 110.00 1smy n THR 1102Ca 0.01 -0.06 -0.12 0.00 -2.04 0.00 0.00 64.05 61.84 1smy n THR 1102Cb 0.21 0.58 -0.05 0.00 -1.82 0.00 0.00 70.33 69.25 1smy n THR 1102CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 1smy h HIS 1103N 0.00 -0.60 -0.90 -1.42 2.07 -1.68 -1.75 115.15 110.88 1smy h HIS 1103Ca 0.00 0.02 0.26 0.00 -2.85 0.00 0.00 60.37 57.80 1smy h HIS 1103Cb 0.00 0.26 -0.04 0.00 2.57 0.00 0.00 27.41 30.20 1smy h HIS 1103CO 0.00 -0.32 0.79 1.05 -3.07 0.00 0.00 177.93 176.39 1smy h GLU 1104N -0.38 0.00 -6.29 5.12 4.11 -1.90 -3.40 114.58 111.84 1smy h GLU 1104Ca 0.05 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.91 1smy h GLU 1104Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1smy h GLU 1104CO -0.17 0.00 1.17 0.42 0.07 0.00 0.00 179.01 180.50 1smy s ILE 1105N -4.73 3.63 -0.01 -1.06 -1.09 -0.66 -4.60 121.20 112.69 1smy s ILE 1105Ca -0.04 0.70 -0.06 0.00 -2.23 0.00 0.00 60.65 59.01 1smy s ILE 1105Cb 0.19 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 1smy s ILE 1105CO 0.65 -0.33 0.13 -0.69 -1.23 0.00 0.00 174.94 173.46 1smy s VAL 1106N 5.63 0.06 -0.09 2.92 1.01 -1.23 -2.02 120.40 126.68 1smy s VAL 1106Ca 0.74 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1smy s VAL 1106Cb -0.24 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1smy s VAL 1106CO 0.31 -0.29 1.31 -0.69 0.00 0.00 0.00 175.10 175.74 1smy s VAL 1107N -1.00 4.09 -0.33 2.92 1.01 -0.96 -3.30 120.40 122.83 1smy s VAL 1107Ca -0.11 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.32 1smy s VAL 1107Cb -0.06 -3.89 0.19 0.00 0.00 0.00 0.00 36.38 32.62 1smy s VAL 1107CO 0.01 -0.06 0.61 0.00 0.00 0.00 0.00 175.10 175.66 1smy s ARG 1108N 2.93 0.65 0.00 2.72 1.70 -1.26 0.06 118.95 125.75 1smy s ARG 1108Ca 0.59 0.27 0.00 0.00 -0.47 0.00 0.00 55.73 56.12 1smy s ARG 1108Cb -0.26 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.32 1smy s ARG 1108CO 0.21 -1.09 0.00 -0.85 -1.08 0.00 0.00 175.30 172.48 1smy n GLU 1109N 5.07 0.00 -3.72 3.89 -0.00 -1.26 -4.81 120.64 119.82 1smy n GLU 1109Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.11 1smy n GLU 1109Cb 0.55 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.92 1smy n GLU 1109CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1smy s ALA 1110N -1.07 -0.84 -0.87 -1.84 0.00 -1.26 -4.99 121.76 110.89 1smy s ALA 1110Ca 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 1smy s ALA 1110Cb 0.00 0.30 -0.22 0.00 0.00 0.00 0.00 23.12 23.19 1smy s ALA 1110CO 0.00 -0.41 2.36 -0.40 0.00 0.00 0.00 175.76 177.31 1smy n ASP 1111N 0.64 0.32 -4.67 0.00 5.68 -1.26 -4.70 116.55 112.56 1smy n ASP 1111Ca -0.19 -0.71 -0.50 0.00 -0.50 0.00 0.00 54.79 52.89 1smy n ASP 1111Cb 0.59 -1.08 -0.05 0.00 -1.14 0.00 0.00 41.12 39.44 1smy n ASP 1111CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1smy h GLY 1113N 9.28 0.93 -5.41 0.00 0.00 -2.02 -3.43 103.07 102.41 1smy h GLY 1113Ca -0.47 -0.24 -0.56 0.00 0.00 0.00 0.00 47.33 46.06 1smy h GLY 1113CO 0.96 0.09 1.14 -0.37 0.00 0.00 0.00 176.54 178.36 1smy n THR 1114N -4.51 0.58 -2.18 4.70 5.66 -1.26 -4.86 114.28 112.40 1smy n THR 1114Ca 0.15 -0.10 -0.33 0.00 -3.05 0.00 0.00 64.05 60.72 1smy n THR 1114Cb 0.47 -2.08 0.02 0.00 -1.55 0.00 0.00 70.33 67.19 1smy n THR 1114CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1smy n THR 1115N 5.12 2.95 -2.90 1.09 -1.04 -1.26 -4.86 114.28 113.38 1smy n THR 1115Ca 0.20 -4.57 -0.41 0.00 -2.04 0.00 0.00 64.05 57.24 1smy n THR 1115Cb 0.35 -1.25 -0.04 0.00 -1.82 0.00 0.00 70.33 67.58 1smy n THR 1115CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1smy s ASN 1116N -2.43 7.07 0.00 8.00 -0.87 -1.26 -5.03 114.94 120.42 1smy s ASN 1116Ca 0.50 1.30 0.00 0.00 -1.57 0.00 0.00 52.86 53.09 1smy s ASN 1116Cb 0.42 -2.47 0.00 0.00 -0.02 0.00 0.00 41.25 39.18 1smy s ASN 1116CO -0.27 -0.27 0.00 0.00 -2.57 0.00 0.00 177.10 173.98 1smy n TYR 1117N 4.43 0.00 -3.83 2.20 0.18 -1.26 -4.77 117.16 114.10 1smy n TYR 1117Ca 0.03 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.69 1smy n TYR 1117Cb 0.50 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.35 1smy n TYR 1117CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1smy s ILE 1118N 0.65 0.05 -0.26 -3.48 1.01 -1.08 -4.99 121.20 113.10 1smy s ILE 1118Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 1smy s ILE 1118Cb 0.00 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 42.08 1smy s ILE 1118CO 0.00 -0.21 0.02 -0.44 0.00 0.00 0.00 174.94 174.31 1smy s SER 1119N -0.76 4.78 -0.15 3.58 0.01 -1.25 -1.13 113.70 118.78 1smy s SER 1119Ca -0.08 -0.51 -0.27 0.00 1.31 0.00 0.00 55.95 56.40 1smy s SER 1119Cb -0.05 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 1smy s SER 1119CO 0.01 -0.09 0.93 -0.69 0.41 0.00 0.00 173.24 173.81 1smy s VAL 1120N 1.50 4.82 0.76 3.43 1.01 -0.64 -4.63 120.40 126.66 1smy s VAL 1120Ca 0.04 1.85 -0.12 0.00 0.00 0.00 0.00 61.98 63.76 1smy s VAL 1120Cb -0.16 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.05 1smy s VAL 1120CO 0.00 -0.00 1.10 -2.84 0.00 0.00 0.00 175.10 173.37 1smy s PRO 1121N 2.17 2.25 0.00 2.72 0.02 -1.26 -2.12 135.00 138.78 1smy s PRO 1121Ca 0.43 1.27 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1smy s PRO 1121Cb -0.17 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1smy s PRO 1121CO 0.14 -1.66 0.87 1.28 -0.33 0.00 0.00 177.00 177.30 1smy n LEU 1122N -3.33 1.52 -3.80 -5.54 4.32 -0.27 -4.94 117.00 104.95 1smy n LEU 1122Ca 0.10 -1.52 -0.13 0.00 -0.02 0.00 0.00 56.01 54.44 1smy n LEU 1122Cb 0.53 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.19 1smy n LEU 1122CO 0.52 0.38 -0.22 -0.36 -1.22 0.00 0.00 177.39 176.48 1smy s PHE 1123N -0.75 -0.15 0.19 -1.77 0.08 -1.26 -2.25 117.98 112.07 1smy s PHE 1123Ca 0.00 0.38 0.07 0.00 0.12 0.00 0.00 56.93 57.51 1smy s PHE 1123Cb 0.00 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.42 1smy s PHE 1123CO 0.00 -0.10 0.03 1.14 -0.10 0.00 0.00 175.22 176.19 1smy s GLN 1124N 0.40 2.47 0.00 0.44 -2.07 0.11 -4.86 119.66 116.15 1smy s GLN 1124Ca -0.03 -1.13 0.00 0.00 -1.82 0.00 0.00 55.36 52.38 1smy s GLN 1124Cb -0.04 -2.37 0.00 0.00 -1.09 0.00 0.00 33.01 29.51 1smy s GLN 1124CO -0.02 0.44 0.00 -2.30 -1.32 0.00 0.00 175.29 172.09 1smy n PRO 1125N -0.34 0.00 -1.67 9.60 -0.02 -1.26 -1.44 135.00 139.87 1smy n PRO 1125Ca -0.09 0.00 -0.53 0.00 -2.02 0.00 0.00 63.50 60.87 1smy n PRO 1125Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.98 1smy n PRO 1125CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1smy n ASP 1126N 0.00 2.88 0.03 2.55 2.03 -1.21 -4.37 116.55 118.45 1smy n ASP 1126Ca 0.00 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.26 1smy n ASP 1126Cb 0.00 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 1smy n ASP 1126CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1smy n GLU 1127N 6.31 0.00 -3.06 -0.67 0.00 -1.26 -4.91 120.64 117.05 1smy n GLU 1127Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 57.10 1smy n GLU 1127Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.63 1smy n GLU 1127CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1smy n VAL 1128N -2.52 3.84 0.00 6.31 0.31 -1.26 -5.01 118.33 119.99 1smy n VAL 1128Ca 0.00 -5.61 0.00 0.00 -0.01 0.00 0.00 64.34 58.72 1smy n VAL 1128Cb 0.00 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 1smy n VAL 1128CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1smy n THR 1129N 0.47 0.00 -3.64 2.52 5.66 -1.26 -3.00 114.28 115.03 1smy n THR 1129Ca 0.32 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 61.03 1smy n THR 1129Cb 0.36 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.02 1smy n THR 1129CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1smy s ARG 1130N 0.00 1.17 -0.35 1.09 6.06 -1.26 -3.31 118.95 122.35 1smy s ARG 1130Ca 0.00 -1.97 -0.00 0.00 -2.50 0.00 0.00 55.73 51.26 1smy s ARG 1130Cb 0.00 -2.10 0.14 0.00 0.06 0.00 0.00 34.95 33.05 1smy s ARG 1130CO 0.00 -1.20 0.20 -1.54 -2.50 0.00 0.00 175.30 170.26 1smy s SER 1131N 0.34 3.07 0.09 -2.12 1.04 -1.16 -5.06 113.70 109.90 1smy s SER 1131Ca 0.20 -2.14 -0.36 0.00 0.48 0.00 0.00 55.95 54.12 1smy s SER 1131Cb -0.20 -0.44 -0.17 0.00 0.10 0.00 0.00 66.02 65.31 1smy s SER 1131CO -0.03 -0.32 1.19 0.18 0.98 0.00 0.00 173.24 175.25 1smy n LEU 1132N 4.11 1.04 -3.98 2.42 4.77 -1.26 -4.77 117.00 119.32 1smy n LEU 1132Ca 0.10 1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 57.09 1smy n LEU 1132Cb 0.37 -1.11 -0.13 0.00 -2.33 0.00 0.00 43.42 40.22 1smy n LEU 1132CO 0.14 -1.42 -0.39 -0.13 -1.33 0.00 0.00 177.39 174.26 1smy s ARG 1133N 0.11 0.37 0.04 3.23 0.52 -0.52 -4.99 118.95 117.71 1smy s ARG 1133Ca 0.83 -0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 55.32 1smy s ARG 1133Cb -1.02 -0.22 -0.07 0.00 0.52 0.00 0.00 34.95 34.16 1smy s ARG 1133CO 0.51 0.05 1.52 -1.17 0.02 0.00 0.00 175.30 176.23 1smy s LEU 1134N -0.82 4.34 0.42 2.53 0.20 -1.26 -0.71 118.68 123.39 1smy s LEU 1134Ca -0.05 2.32 -0.25 0.00 0.69 0.00 0.00 54.13 56.84 1smy s LEU 1134Cb -0.06 -3.56 -0.10 0.00 -0.43 0.00 0.00 46.19 42.03 1smy s LEU 1134CO -0.00 -0.80 1.06 -1.14 -0.29 0.00 0.00 176.35 175.18 1smy n ARG 1135N 5.36 1.46 -1.53 1.98 0.63 -0.96 -4.82 116.66 118.77 1smy n ARG 1135Ca 0.14 0.52 -0.37 0.00 -0.92 0.00 0.00 57.85 57.23 1smy n ARG 1135Cb 0.42 -2.10 0.07 0.00 0.45 0.00 0.00 32.46 31.29 1smy n ARG 1135CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1smy n LYS 1136N 0.12 0.75 -0.15 -0.14 5.02 -1.26 -4.83 118.16 117.68 1smy n LYS 1136Ca 0.09 0.31 -0.09 0.00 -2.02 0.00 0.00 58.31 56.59 1smy n LYS 1136Cb 0.39 -2.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.10 1smy n LYS 1136CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1smy h ARG 1137N 0.17 -0.20 0.40 1.97 -0.00 -2.01 -2.95 114.38 111.75 1smy h ARG 1137Ca -0.48 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.00 1smy h ARG 1137Cb 1.35 0.05 -0.01 0.00 0.00 0.00 0.00 29.97 31.36 1smy h ARG 1137CO 0.49 -0.14 -0.27 0.00 0.00 0.00 0.00 179.97 180.06 1smy h ALA 1138N -0.29 -0.64 -0.93 0.04 0.00 -1.99 -2.57 119.26 112.88 1smy h ALA 1138Ca 0.07 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.05 1smy h ALA 1138Cb 0.39 0.34 -0.18 0.00 0.00 0.00 0.00 17.79 18.34 1smy h ALA 1138CO -0.48 -0.88 -0.18 -0.44 0.00 0.00 0.00 179.25 177.26 1smy h ASP 1139N -0.65 -0.79 -0.01 0.00 3.32 -1.91 0.78 116.42 117.16 1smy h ASP 1139Ca -0.04 0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1smy h ASP 1139Cb 0.54 0.55 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1smy h ASP 1139CO 0.03 -0.31 0.01 0.40 -1.72 0.00 0.00 179.24 177.65 1smy h ILE 1140N 0.01 1.01 -0.99 0.35 2.04 -1.37 -1.51 117.51 117.05 1smy h ILE 1140Ca 0.47 -0.03 0.19 0.00 1.00 0.00 0.00 64.86 66.49 1smy h ILE 1140Cb 0.76 1.01 -0.10 0.00 -0.74 0.00 0.00 36.82 37.75 1smy h ILE 1140CO -0.94 0.01 0.61 -0.33 0.00 0.00 0.00 178.15 177.50 1smy h GLU 1141N 0.01 0.69 0.00 2.37 5.08 0.75 0.52 114.58 123.99 1smy h GLU 1141Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1smy h GLU 1141Cb 0.01 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1smy h GLU 1141CO -0.00 0.45 0.00 0.00 -1.00 0.00 0.00 179.01 178.46 1smy n ALA 1142N -2.37 1.78 0.02 3.43 0.00 0.13 -1.18 120.51 122.32 1smy n ALA 1142Ca 0.23 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.80 1smy n ALA 1142Cb 0.59 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 1smy n ALA 1142CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smy n GLY 1143N 0.25 -0.69 0.00 0.00 0.00 0.17 -0.63 105.19 104.29 1smy n GLY 1143Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1smy n GLY 1143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1smy n LEU 1144N -2.01 0.00 -4.60 0.99 4.77 -0.37 -4.93 117.00 110.85 1smy n LEU 1144Ca -0.03 0.00 -0.59 0.00 -0.03 0.00 0.00 56.01 55.37 1smy n LEU 1144Cb 0.40 0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1smy n LEU 1144CO 0.32 0.01 0.88 0.00 -1.33 0.00 0.00 177.39 177.27 1smy n TYR 1145N -1.74 1.29 -3.88 -1.77 -0.00 -0.33 -1.88 117.16 108.85 1smy n TYR 1145Ca -0.01 0.89 -0.28 0.00 -0.00 0.00 0.00 57.90 58.49 1smy n TYR 1145Cb 0.23 -2.24 0.00 0.00 -0.00 0.00 0.00 39.34 37.33 1smy n TYR 1145CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1smy n GLY 1146N 2.63 -0.48 0.85 2.98 0.00 -0.07 -4.74 105.19 106.36 1smy n GLY 1146Ca 0.23 0.25 -0.05 0.00 0.00 0.00 0.00 46.02 46.44 1smy n GLY 1146CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smy n ARG 1147N -4.38 1.24 -3.96 1.61 5.12 -0.79 -0.17 116.66 115.33 1smy n ARG 1147Ca -0.24 -0.75 -0.29 0.00 -1.93 0.00 0.00 57.85 54.64 1smy n ARG 1147Cb 0.65 0.06 -0.16 0.00 -1.16 0.00 0.00 32.46 31.85 1smy n ARG 1147CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1smy s VAL 1148N -0.44 1.41 -0.13 1.55 1.01 -1.26 -1.72 120.40 120.81 1smy s VAL 1148Ca 0.08 -0.71 -0.34 0.00 0.00 0.00 0.00 61.98 61.00 1smy s VAL 1148Cb -0.01 -1.45 -0.12 0.00 0.00 0.00 0.00 36.38 34.81 1smy s VAL 1148CO 0.05 0.27 1.93 0.18 0.00 0.00 0.00 175.10 177.52 1smy n LEU 1149N 4.79 3.26 -0.30 3.92 4.77 -0.92 -0.74 117.00 131.78 1smy n LEU 1149Ca -0.14 0.88 -0.06 0.00 -0.03 0.00 0.00 56.01 56.66 1smy n LEU 1149Cb 0.48 -1.36 0.07 0.00 -2.33 0.00 0.00 43.42 40.28 1smy n LEU 1149CO 0.19 -0.17 1.06 0.00 -1.33 0.00 0.00 177.39 177.14 1smy h ALA 1150N 9.77 1.05 -2.54 -1.18 0.00 -1.17 0.54 119.26 125.73 1smy h ALA 1150Ca -0.46 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.13 1smy h ALA 1150Cb 1.28 -0.32 -0.17 0.00 0.00 0.00 0.00 17.79 18.58 1smy h ALA 1150CO 0.96 0.67 -0.61 1.03 0.00 0.00 0.00 179.25 181.29 1smy s ARG 1151N -5.58 0.55 0.89 0.00 1.81 -1.25 -4.71 118.95 110.66 1smy s ARG 1151Ca -0.12 -0.91 -0.11 0.00 -1.72 0.00 0.00 55.73 52.87 1smy s ARG 1151Cb 0.16 0.20 0.13 0.00 -0.45 0.00 0.00 34.95 34.99 1smy s ARG 1151CO 0.84 -0.12 1.15 -1.83 -0.68 0.00 0.00 175.30 174.67 1smy s GLU 1152N -2.92 1.19 -0.19 3.54 4.04 -1.26 -4.64 118.70 118.46 1smy s GLU 1152Ca -0.02 1.57 -0.05 0.00 0.04 0.00 0.00 54.97 56.51 1smy s GLU 1152Cb 0.01 -1.75 0.10 0.00 0.02 0.00 0.00 34.13 32.51 1smy s GLU 1152CO -0.06 -2.51 0.34 0.08 -1.84 0.00 0.00 175.26 171.27 1smy s VAL 1153N -2.58 -0.53 -0.27 1.83 1.01 -1.03 -4.93 120.40 113.90 1smy s VAL 1153Ca 0.68 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.51 1smy s VAL 1153Cb -0.23 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 1smy s VAL 1153CO 0.56 -0.01 0.82 -1.61 0.00 0.00 0.00 175.10 174.86 1smy s GLU 1154N 2.50 4.11 0.00 2.72 0.41 -1.26 -2.21 118.70 124.97 1smy s GLU 1154Ca 0.05 0.82 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 1smy s GLU 1154Cb -0.13 -3.67 0.00 0.00 -1.78 0.00 0.00 34.13 28.54 1smy s GLU 1154CO -0.12 -0.58 0.00 0.28 -0.49 0.00 0.00 175.26 174.35 1smy n VAL 1155N 5.37 0.00 0.70 2.63 0.31 -1.06 -4.93 118.33 121.35 1smy n VAL 1155Ca 0.05 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.45 1smy n VAL 1155Cb 0.48 0.00 0.37 0.00 -0.91 0.00 0.00 33.84 33.78 1smy n VAL 1155CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1smy n LEU 1156N 0.00 0.00 0.00 7.52 4.77 -1.26 -4.66 117.00 123.37 1smy n LEU 1156Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1smy n LEU 1156Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1smy n LEU 1156CO 0.00 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 1smy n GLY 1157N -0.02 0.40 3.94 -0.72 0.00 -1.26 -5.14 105.19 102.39 1smy n GLY 1157Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1smy n GLY 1157CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smy s VAL 1158N 0.00 4.49 -0.47 1.61 -7.23 -1.26 -5.07 120.40 112.47 1smy s VAL 1158Ca 0.00 -0.37 0.03 0.00 -1.81 0.00 0.00 61.98 59.83 1smy s VAL 1158Cb 0.00 -3.66 0.12 0.00 0.56 0.00 0.00 36.38 33.40 1smy s VAL 1158CO 0.00 -0.49 0.22 -0.60 -0.31 0.00 0.00 175.10 173.92 1smy s ARG 1159N -4.52 1.91 -0.95 4.82 3.00 -1.26 -2.55 118.95 119.39 1smy s ARG 1159Ca 0.46 -2.34 -0.24 0.00 -1.00 0.00 0.00 55.73 52.60 1smy s ARG 1159Cb -0.10 -3.36 -0.04 0.00 0.00 0.00 0.00 34.95 31.45 1smy s ARG 1159CO 0.38 -1.07 1.90 -0.51 0.00 0.00 0.00 175.30 176.01 1smy s LEU 1160N 0.19 3.19 0.44 -0.88 1.43 -0.94 -4.92 118.68 117.18 1smy s LEU 1160Ca 0.15 -0.89 -0.22 0.00 -1.03 0.00 0.00 54.13 52.14 1smy s LEU 1160Cb -0.23 -2.56 -0.12 0.00 0.03 0.00 0.00 46.19 43.30 1smy s LEU 1160CO -0.03 -2.67 0.55 -1.84 0.23 0.00 0.00 176.35 172.58 1smy n GLU 1161N 8.78 0.58 -1.78 1.70 0.28 -1.26 -2.46 120.64 126.47 1smy n GLU 1161Ca 0.40 0.21 -0.37 0.00 -0.16 0.00 0.00 57.16 57.25 1smy n GLU 1161Cb 0.47 -1.53 0.06 0.00 1.43 0.00 0.00 31.44 31.87 1smy n GLU 1161CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1smy s GLU 1162N -1.63 2.62 0.00 3.44 -6.30 -1.26 -2.67 118.70 112.89 1smy s GLU 1162Ca 0.64 2.02 0.00 0.00 -2.50 0.00 0.00 54.97 55.13 1smy s GLU 1162Cb -0.58 -1.86 0.00 0.00 0.00 0.00 0.00 34.13 31.69 1smy s GLU 1162CO 0.58 -1.54 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1smy n GLY 1163N 0.83 2.09 3.73 -1.50 0.00 0.18 -4.94 105.19 105.58 1smy n GLY 1163Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1smy n GLY 1163CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1smy s ARG 1164N -0.02 2.11 -0.34 1.61 3.52 -1.09 -4.51 118.95 120.22 1smy s ARG 1164Ca 0.00 1.56 -0.15 0.00 -0.13 0.00 0.00 55.73 57.01 1smy s ARG 1164Cb 0.00 -1.85 -0.01 0.00 -1.56 0.00 0.00 34.95 31.53 1smy s ARG 1164CO 0.00 -1.82 0.33 0.71 -0.81 0.00 0.00 175.30 173.71 1smy s TYR 1165N -2.31 3.22 -0.23 5.12 1.51 -1.26 -2.17 117.35 121.23 1smy s TYR 1165Ca 0.69 -0.08 -0.29 0.00 -1.01 0.00 0.00 57.07 56.38 1smy s TYR 1165Cb -0.24 -2.62 -0.01 0.00 -0.11 0.00 0.00 41.96 38.98 1smy s TYR 1165CO 0.48 -0.42 1.27 -0.48 -1.11 0.00 0.00 175.55 175.29 1smy s LEU 1166N 1.93 4.05 0.74 -1.29 2.34 -0.70 -4.88 118.68 120.87 1smy s LEU 1166Ca 0.10 1.47 -0.11 0.00 0.06 0.00 0.00 54.13 55.65 1smy s LEU 1166Cb -0.17 -3.54 0.03 0.00 -0.56 0.00 0.00 46.19 41.96 1smy s LEU 1166CO 0.11 -0.89 1.08 -0.94 -1.06 0.00 0.00 176.35 174.65 1smy s SER 1167N 2.28 5.06 0.46 1.48 1.04 -1.26 -0.89 113.70 121.86 1smy s SER 1167Ca 0.55 1.42 0.17 0.00 0.48 0.00 0.00 55.95 58.57 1smy s SER 1167Cb -0.19 -2.24 1.13 0.00 0.10 0.00 0.00 66.02 64.82 1smy s SER 1167CO 0.18 -1.62 1.97 -0.03 0.98 0.00 0.00 173.24 174.71 1smy h MET 1168N -0.85 0.30 -0.36 4.02 4.05 -1.96 0.85 114.93 120.98 1smy h MET 1168Ca -0.45 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 58.93 1smy h MET 1168Cb 1.24 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 1smy h MET 1168CO 0.59 0.20 0.16 0.22 0.23 0.00 0.00 176.91 178.31 1smy h ASP 1169N 0.31 0.44 -0.04 1.39 1.82 -1.99 0.41 116.42 118.76 1smy h ASP 1169Ca 0.29 -0.04 -0.16 0.00 -0.39 0.00 0.00 57.03 56.74 1smy h ASP 1169Cb 0.73 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 40.64 1smy h ASP 1169CO -0.07 0.39 -0.58 0.44 -1.61 0.00 0.00 179.24 177.81 1smy h ASP 1170N 0.50 0.59 0.14 2.28 3.32 0.31 -1.77 116.42 121.78 1smy h ASP 1170Ca 0.13 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1smy h ASP 1170Cb 0.07 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1smy h ASP 1170CO -0.02 1.21 0.00 0.58 -1.72 0.00 0.00 179.24 179.29 1smy h VAL 1171N 0.02 0.00 0.17 -1.35 2.07 -0.33 0.02 116.25 116.85 1smy h VAL 1171Ca -0.06 -0.06 -0.33 0.00 0.82 0.00 0.00 66.70 67.07 1smy h VAL 1171Cb 1.26 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1smy h VAL 1171CO 0.12 0.00 -1.60 0.45 0.02 0.00 0.00 177.57 176.56 1smy h HIS 1172N 0.00 0.66 -0.31 1.57 3.86 -0.67 -3.08 115.15 117.18 1smy h HIS 1172Ca 0.00 -0.48 -0.04 0.00 -1.16 0.00 0.00 60.37 58.68 1smy h HIS 1172Cb 0.07 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1smy h HIS 1172CO 0.00 1.53 0.02 1.25 0.86 0.00 0.00 177.93 181.59 1smy h LEU 1173N 0.10 0.53 -0.24 2.43 6.46 -0.16 -2.69 115.31 121.74 1smy h LEU 1173Ca -0.28 -0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.18 1smy h LEU 1173Cb 2.08 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.86 1smy h LEU 1173CO 0.19 0.68 0.12 -0.07 -0.62 0.00 0.00 178.44 178.75 1smy h LEU 1174N 0.35 0.31 -1.39 2.25 3.38 -1.31 -0.74 115.31 118.16 1smy h LEU 1174Ca 0.09 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1smy h LEU 1174Cb 0.40 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1smy h LEU 1174CO 0.01 0.33 0.48 0.40 0.09 0.00 0.00 178.44 179.75 1smy h ILE 1175N 0.26 0.98 -0.41 1.22 2.04 -1.52 0.12 117.51 120.21 1smy h ILE 1175Ca 0.08 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 1smy h ILE 1175Cb 0.10 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1smy h ILE 1175CO -0.01 0.13 -0.10 0.50 0.00 0.00 0.00 178.15 178.67 1smy h LYS 1176N 0.71 0.71 -0.09 2.37 1.63 -1.06 -1.29 116.57 119.56 1smy h LYS 1176Ca 0.33 -0.23 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1smy h LYS 1176Cb 0.36 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1smy h LYS 1176CO -0.12 0.80 -0.02 0.00 -3.45 0.00 0.00 179.45 176.67 1smy h ALA 1177N 1.24 0.12 -0.01 5.00 0.00 0.56 -2.23 119.26 123.94 1smy h ALA 1177Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1smy h ALA 1177Cb 0.55 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1smy h ALA 1177CO 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1smy h ALA 1178N 0.68 1.70 -0.48 0.00 0.00 -0.69 0.40 119.26 120.87 1smy h ALA 1178Ca 0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1smy h ALA 1178Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1smy h ALA 1178CO 0.01 -0.01 -0.20 1.49 0.00 0.00 0.00 179.25 180.54 1smy h GLU 1179N 0.00 0.98 -0.00 0.00 4.81 -0.85 -2.89 114.58 116.63 1smy h GLU 1179Ca 0.00 -0.41 -0.19 0.00 -0.13 0.00 0.00 59.36 58.64 1smy h GLU 1179Cb 0.01 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1smy h GLU 1179CO -0.00 1.08 -0.85 0.00 -0.73 0.00 0.00 179.01 178.51 1smy h ALA 1180N 0.91 0.56 0.00 2.92 0.00 -0.28 -3.49 119.26 119.89 1smy h ALA 1180Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1smy h ALA 1180Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1smy h ALA 1180CO 0.06 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1smy n GLY 1181N 0.81 0.78 0.00 0.00 0.00 0.11 -5.07 105.19 101.83 1smy n GLY 1181Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1smy n GLY 1181CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1smy n GLU 1182N 0.00 4.88 -3.86 1.61 4.71 -1.18 -4.99 120.64 121.81 1smy n GLU 1182Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.04 1smy n GLU 1182Cb 0.00 -0.59 -0.09 0.00 -1.01 0.00 0.00 31.44 29.75 1smy n GLU 1182CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 1smy s ILE 1183N -0.37 0.10 0.00 -3.67 -5.25 -1.26 -5.01 121.20 105.74 1smy s ILE 1183Ca 0.00 -0.86 0.00 0.00 -0.99 0.00 0.00 60.65 58.80 1smy s ILE 1183Cb 0.00 -0.78 0.00 0.00 2.95 0.00 0.00 42.46 44.63 1smy s ILE 1183CO 0.00 -0.47 0.00 0.00 -1.79 0.00 0.00 174.94 172.68 1smy n GLN 1184N 0.91 2.54 -4.54 0.37 6.02 -1.26 -4.59 117.38 116.83 1smy n GLN 1184Ca -0.20 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.54 1smy n GLN 1184Cb 0.58 -0.73 -0.09 0.00 1.02 0.00 0.00 30.24 31.02 1smy n GLN 1184CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1smy s GLU 1185N -1.19 1.87 -0.17 -1.09 2.02 -1.26 -1.12 118.70 117.77 1smy s GLU 1185Ca 0.00 -2.11 -0.04 0.00 0.02 0.00 0.00 54.97 52.84 1smy s GLU 1185Cb 0.00 -0.93 0.08 0.00 0.10 0.00 0.00 34.13 33.38 1smy s GLU 1185CO 0.00 -0.32 0.26 0.08 0.02 0.00 0.00 175.26 175.30 1smy s VAL 1186N -3.15 -0.41 -0.29 2.63 1.01 -0.90 -4.86 120.40 114.43 1smy s VAL 1186Ca 0.27 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1smy s VAL 1186Cb 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 1smy s VAL 1186CO 0.13 -0.03 1.46 -2.16 0.00 0.00 0.00 175.10 174.50 1smy s PRO 1187N 2.40 3.79 -0.11 2.72 0.04 -1.26 -1.62 135.00 140.96 1smy s PRO 1187Ca 0.05 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.35 1smy s PRO 1187Cb -0.14 -3.97 0.03 0.00 0.04 0.00 0.00 34.50 30.46 1smy s PRO 1187CO -0.11 -1.29 0.29 0.54 0.04 0.00 0.00 177.00 176.48 1smy s VAL 1188N 4.96 -0.01 0.93 -0.36 0.11 -0.29 -0.64 120.40 125.11 1smy s VAL 1188Ca 0.64 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.60 1smy s VAL 1188Cb -0.19 -0.42 0.13 0.00 -1.53 0.00 0.00 36.38 34.37 1smy s VAL 1188CO 0.27 0.01 1.00 0.54 -3.33 0.00 0.00 175.10 173.59 1smy n ARG 1189N 3.16 -0.46 -3.61 1.54 5.12 0.08 -2.63 116.66 119.86 1smy n ARG 1189Ca -0.15 -0.07 -0.03 0.00 -1.93 0.00 0.00 57.85 55.66 1smy n ARG 1189Cb 0.57 -2.27 -0.02 0.00 -1.16 0.00 0.00 32.46 29.58 1smy n ARG 1189CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1smy s SER 1190N -2.51 -0.10 0.51 0.55 0.15 -1.19 -4.63 113.70 106.48 1smy s SER 1190Ca 0.65 -0.01 0.17 0.00 0.70 0.00 0.00 55.95 57.47 1smy s SER 1190Cb -0.23 0.11 1.28 0.00 -1.71 0.00 0.00 66.02 65.48 1smy s SER 1190CO 0.60 -0.18 2.13 -0.65 1.20 0.00 0.00 173.24 176.33 1smy h PRO 1191N 2.00 0.00 0.00 5.44 0.11 -1.90 -2.54 132.00 135.11 1smy h PRO 1191Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1smy h PRO 1191Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1smy h PRO 1191CO 0.22 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.33 1smy n LEU 1192N -4.39 0.00 -1.15 2.35 4.77 -1.26 -2.79 117.00 114.52 1smy n LEU 1192Ca -0.03 0.02 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1smy n LEU 1192Cb 0.13 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1smy n LEU 1192CO 0.34 -0.01 0.14 0.35 -1.33 0.00 0.00 177.39 176.87 1smy n THR 1193N -1.02 0.00 -1.73 -5.08 -2.24 -0.96 -5.01 114.28 98.24 1smy n THR 1193Ca 0.08 -0.62 -0.32 0.00 -2.27 0.00 0.00 64.05 60.92 1smy n THR 1193Cb 0.04 0.79 0.05 0.00 -2.10 0.00 0.00 70.33 69.11 1smy n THR 1193CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1smy n GLN 1195N -2.55 0.70 -1.52 0.00 7.27 -1.26 -4.85 117.38 115.16 1smy n GLN 1195Ca 0.10 0.20 -0.43 0.00 0.07 0.00 0.00 57.00 56.93 1smy n GLN 1195Cb 0.52 -1.60 -0.06 0.00 2.41 0.00 0.00 30.24 31.52 1smy n GLN 1195CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1smy n THR 1196N -3.35 0.12 0.00 1.69 -1.04 -1.26 -4.89 114.28 105.55 1smy n THR 1196Ca -0.40 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 1smy n THR 1196Cb 1.02 -2.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 1smy n THR 1196CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1smy n ARG 1197N 8.62 0.00 0.00 -2.82 3.00 -1.26 -2.51 116.66 121.69 1smy n ARG 1197Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.25 1smy n ARG 1197Cb 0.36 -0.43 0.00 0.00 0.00 0.00 0.00 32.46 32.38 1smy n ARG 1197CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1smy n TYR 1198N 0.00 0.00 -4.38 -0.14 0.53 -1.26 -4.76 117.16 107.16 1smy n TYR 1198Ca 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.66 1smy n TYR 1198Cb 0.00 -0.08 -0.07 0.00 -1.03 0.00 0.00 39.34 38.16 1smy n TYR 1198CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1smy n GLY 1199N 0.09 3.07 3.10 2.72 0.00 -1.04 -3.57 105.19 109.56 1smy n GLY 1199Ca 0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 1smy n GLY 1199CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 1200N -3.21 -0.52 1.20 1.61 1.01 -1.21 -4.53 120.40 114.74 1smy s VAL 1200Ca 0.31 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.28 1smy s VAL 1200Cb 0.01 -0.57 0.29 0.00 0.00 0.00 0.00 36.38 36.12 1smy s VAL 1200CO 0.22 0.07 1.17 0.00 0.00 0.00 0.00 175.10 176.55 1smy n GLN 1202N -4.68 0.00 -0.37 0.00 6.02 -1.26 -2.89 117.38 114.21 1smy n GLN 1202Ca 0.16 0.37 0.28 0.00 -0.01 0.00 0.00 57.00 57.80 1smy n GLN 1202Cb 0.60 -1.34 0.57 0.00 1.02 0.00 0.00 30.24 31.08 1smy n GLN 1202CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1smy h LYS 1203N 0.00 0.26 0.00 -1.09 1.79 -1.93 0.21 116.57 115.82 1smy h LYS 1203Ca 0.00 -0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1smy h LYS 1203Cb 0.00 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1smy h LYS 1203CO 0.00 0.17 -0.69 0.00 -1.08 0.00 0.00 179.45 177.85 1smy n TYR 1205N -3.59 0.00 0.00 0.00 9.36 0.71 -3.19 117.16 120.45 1smy n TYR 1205Ca -0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1smy n TYR 1205Cb 0.71 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.42 1smy n TYR 1205CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1smy n GLY 1206N 1.76 -0.06 0.00 2.98 0.00 -0.98 -4.79 105.19 104.11 1smy n GLY 1206Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1smy n GLY 1206CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1smy n TYR 1207N 0.00 0.00 -0.98 1.61 -0.00 0.76 -2.17 117.16 116.38 1smy n TYR 1207Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.76 1smy n TYR 1207Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.20 1smy n TYR 1207CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1smy n ASP 1208N -0.75 -1.01 -1.78 2.98 2.03 -1.25 -1.21 116.55 115.57 1smy n ASP 1208Ca 0.00 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.91 1smy n ASP 1208Cb 0.00 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 1smy n ASP 1208CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1smy n LEU 1209N 3.61 0.00 0.12 -2.67 -0.00 -1.26 -4.87 117.00 111.93 1smy n LEU 1209Ca 0.42 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.61 1smy n LEU 1209Cb 0.11 0.00 0.75 0.00 -0.00 0.00 0.00 43.42 44.28 1smy n LEU 1209CO 0.70 -0.42 1.16 0.28 -0.00 0.00 0.00 177.39 179.12 1smy h SER 1210N 0.00 0.00 -0.89 1.96 0.02 -1.91 -3.40 113.55 109.33 1smy h SER 1210Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1smy h SER 1210Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1smy h SER 1210CO 0.00 0.00 0.00 0.23 -1.14 0.00 0.00 176.83 175.92 1smy n MET 1211N -4.04 0.41 0.00 3.45 2.81 -1.26 -3.58 117.12 114.90 1smy n MET 1211Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1smy n MET 1211Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 1smy n MET 1211CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1smy n ALA 1212N -3.00 2.07 -1.00 3.04 0.00 -1.26 -4.55 120.51 115.80 1smy n ALA 1212Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1smy n ALA 1212Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1smy n ALA 1212CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1smy n ARG 1213N -0.41 0.46 -1.73 0.00 1.85 -1.26 -4.62 116.66 110.95 1smy n ARG 1213Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 1smy n ARG 1213Cb 0.01 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 31.49 1smy n ARG 1213CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1smy s PRO 1214N -1.38 2.40 0.35 2.89 0.02 -1.26 -3.79 135.00 134.24 1smy s PRO 1214Ca 0.00 0.51 -0.29 0.00 0.02 0.00 0.00 61.00 61.25 1smy s PRO 1214Cb 0.00 -1.97 -0.11 0.00 0.02 0.00 0.00 34.50 32.44 1smy s PRO 1214CO 0.00 -1.37 1.51 1.55 -0.33 0.00 0.00 177.00 178.36 1smy n VAL 1215N -3.24 1.72 -3.53 3.83 3.14 -0.35 -4.70 118.33 115.21 1smy n VAL 1215Ca 0.07 -0.43 -0.37 0.00 -2.96 0.00 0.00 64.34 60.65 1smy n VAL 1215Cb 0.57 -1.95 -0.06 0.00 -1.06 0.00 0.00 33.84 31.34 1smy n VAL 1215CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1smy s SER 1216N 0.04 6.74 0.51 6.55 0.15 -1.26 -4.97 113.70 121.46 1smy s SER 1216Ca 0.56 0.90 -0.22 0.00 0.70 0.00 0.00 55.95 57.89 1smy s SER 1216Cb -0.49 -2.22 -0.07 0.00 -1.71 0.00 0.00 66.02 61.53 1smy s SER 1216CO 0.59 0.26 1.19 -0.38 1.20 0.00 0.00 173.24 176.11 1smy n ILE 1217N 1.45 3.26 -1.49 6.45 5.41 -1.26 -3.40 119.36 129.78 1smy n ILE 1217Ca -0.12 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.13 1smy n ILE 1217Cb 0.52 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 1smy n ILE 1217CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1smy n GLY 1218N 0.95 0.40 3.88 7.39 0.00 0.11 -5.00 105.19 112.92 1smy n GLY 1218Ca 0.10 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 1smy n GLY 1218CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1smy s GLU 1219N -2.99 3.57 -1.45 1.61 2.12 -1.22 -3.91 118.70 116.42 1smy s GLU 1219Ca 0.00 -0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.20 1smy s GLU 1219Cb 0.00 -3.15 -0.08 0.00 0.26 0.00 0.00 34.13 31.16 1smy s GLU 1219CO 0.00 0.71 2.78 0.00 -0.54 0.00 0.00 175.26 178.21 1smy n ALA 1220N 1.55 6.93 -0.33 6.30 0.00 -1.26 -2.27 120.51 131.43 1smy n ALA 1220Ca -0.15 -3.17 0.18 0.00 0.00 0.00 0.00 53.44 50.30 1smy n ALA 1220Cb 0.54 -3.28 0.38 0.00 0.00 0.00 0.00 19.45 17.09 1smy n ALA 1220CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1smy h VAL 1221N 3.09 0.43 -0.65 0.00 2.07 -1.94 -1.44 116.25 117.80 1smy h VAL 1221Ca 0.79 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 68.23 1smy h VAL 1221Cb 0.26 -0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 29.91 1smy h VAL 1221CO 1.70 0.08 -0.52 1.23 0.02 0.00 0.00 177.57 180.07 1smy h GLY 1222N 0.42 -1.06 0.62 2.17 0.00 -1.57 0.24 103.07 103.90 1smy h GLY 1222Ca 0.64 0.79 -0.00 0.00 0.00 0.00 0.00 47.33 48.76 1smy h GLY 1222CO -0.55 -0.11 -0.01 -2.22 0.00 0.00 0.00 176.54 173.65 1smy h ILE 1223N -0.17 1.25 -1.27 2.60 5.03 -1.48 -2.56 117.51 120.90 1smy h ILE 1223Ca 0.11 -0.86 0.37 0.00 -0.12 0.00 0.00 64.86 64.35 1smy h ILE 1223Cb 0.45 1.83 -0.06 0.00 -3.03 0.00 0.00 36.82 36.01 1smy h ILE 1223CO -0.70 0.22 0.89 0.58 -0.68 0.00 0.00 178.15 178.46 1smy h VAL 1224N -0.41 0.36 0.15 1.67 2.07 -0.74 0.18 116.25 119.53 1smy h VAL 1224Ca -0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1smy h VAL 1224Cb 0.39 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1smy h VAL 1224CO 0.01 0.01 -0.07 0.00 0.02 0.00 0.00 177.57 177.53 1smy h ALA 1225N 1.40 -0.25 -1.12 1.67 0.00 -0.40 -2.92 119.26 117.65 1smy h ALA 1225Ca 0.63 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 55.81 1smy h ALA 1225Cb 2.35 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 20.15 1smy h ALA 1225CO -0.08 -0.24 0.76 0.00 0.00 0.00 0.00 179.25 179.70 1smy h ALA 1226N -1.30 2.66 0.25 0.00 0.00 -0.77 -2.00 119.26 118.12 1smy h ALA 1226Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1smy h ALA 1226Cb 0.16 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1smy h ALA 1226CO 0.03 -1.05 -0.12 1.96 0.00 0.00 0.00 179.25 180.07 1smy h GLN 1227N 0.20 -0.33 0.00 0.00 4.20 -0.80 -2.36 115.11 116.01 1smy h GLN 1227Ca 0.59 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.33 1smy h GLN 1227Cb 1.91 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.76 1smy h GLN 1227CO -0.17 -0.03 0.43 0.66 -0.67 0.00 0.00 178.83 179.05 1smy h SER 1228N -0.99 0.00 0.00 1.46 4.64 -1.16 1.07 113.55 118.57 1smy h SER 1228Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1smy h SER 1228Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1smy h SER 1228CO 0.06 0.00 -1.49 -0.38 -0.87 0.00 0.00 176.83 174.15 1smy n ILE 1229N -2.70 0.00 0.12 0.95 5.41 -1.00 -4.39 119.36 117.75 1smy n ILE 1229Ca -0.02 -0.28 -0.24 0.00 1.00 0.00 0.00 62.75 63.22 1smy n ILE 1229Cb 0.46 0.46 -0.16 0.00 -0.71 0.00 0.00 39.64 39.70 1smy n ILE 1229CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1smy h GLY 1230N 4.11 0.57 0.98 7.39 0.00 0.17 -3.29 103.07 113.00 1smy h GLY 1230Ca 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 47.33 45.85 1smy h GLY 1230CO 0.00 1.27 -0.37 -2.09 0.00 0.00 0.00 176.54 175.35 1smy h GLU 1231N 0.09 -0.99 -0.47 4.80 4.57 -1.62 -2.75 114.58 118.21 1smy h GLU 1231Ca -0.27 0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.11 1smy h GLU 1231Cb 2.11 0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 30.91 1smy h GLU 1231CO 0.24 -0.66 0.38 -1.35 -1.18 0.00 0.00 179.01 176.45 1smy h PRO 1232N -1.07 0.00 -1.09 0.92 0.11 -1.77 -2.17 132.00 126.94 1smy h PRO 1232Ca -0.11 0.00 0.30 0.00 0.11 0.00 0.00 66.00 66.30 1smy h PRO 1232Cb 0.80 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.81 1smy h PRO 1232CO 0.17 0.00 0.70 0.78 -0.21 0.00 0.00 178.00 179.44 1smy h GLY 1233N 0.00 1.21 2.00 -0.55 0.00 -1.55 0.95 103.07 105.13 1smy h GLY 1233Ca 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1smy h GLY 1233CO -0.00 -0.19 -0.02 -0.91 0.00 0.00 0.00 176.54 175.42 1smy h THR 1234N 0.33 0.23 0.00 4.70 1.35 -1.51 -2.57 112.91 115.43 1smy h THR 1234Ca 0.63 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 66.31 1smy h THR 1234Cb 1.71 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1smy h THR 1234CO -0.32 0.02 -0.56 1.56 -0.25 0.00 0.00 175.52 175.98 1smy h GLN 1235N 0.00 0.00 -7.32 4.72 7.50 -1.02 -3.47 115.11 115.52 1smy h GLN 1235Ca -0.00 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 58.68 1smy h GLN 1235Cb 0.13 0.00 0.16 0.00 0.05 0.00 0.00 27.48 27.82 1smy h GLN 1235CO 0.00 0.05 0.19 -0.51 -1.50 0.00 0.00 178.83 177.07 1smy s LEU 1236N -5.83 1.81 0.40 1.46 1.43 -0.97 -5.03 118.68 111.94 1smy s LEU 1236Ca 0.03 1.39 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 1smy s LEU 1236Cb 0.07 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.57 1smy s LEU 1236CO 0.74 -3.07 0.83 -0.89 0.23 0.00 0.00 176.35 174.18 1smy s THR 1237N -2.88 4.64 -0.42 5.49 2.01 -1.26 -4.76 115.64 118.45 1smy s THR 1237Ca 0.65 0.99 0.03 0.00 0.31 0.00 0.00 61.69 63.67 1smy s THR 1237Cb -0.19 -3.66 0.16 0.00 0.01 0.00 0.00 72.50 68.81 1smy s THR 1237CO 0.58 -0.39 0.31 -0.32 -0.69 0.00 0.00 174.62 174.11 1smy s MET 1238N -3.46 0.99 -0.19 4.92 1.75 -1.26 -2.38 119.30 119.68 1smy s MET 1238Ca 0.55 -2.00 -0.16 0.00 -1.25 0.00 0.00 55.69 52.83 1smy s MET 1238Cb -0.10 -1.67 -0.12 0.00 2.84 0.00 0.00 34.83 35.78 1smy s MET 1238CO 0.23 -1.31 0.03 0.54 -0.65 0.00 0.00 175.02 173.86 1smy n ARG 1239N 3.17 0.52 -3.66 4.11 1.74 -1.26 -4.96 116.66 116.32 1smy n ARG 1239Ca 0.22 0.54 -0.09 0.00 -0.77 0.00 0.00 57.85 57.75 1smy n ARG 1239Cb 0.42 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 30.07 1smy n ARG 1239CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1smy s THR 1240N -2.33 -0.01 0.00 0.55 -4.23 -1.26 -5.07 115.64 103.28 1smy s THR 1240Ca -0.24 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1smy s THR 1240Cb 0.05 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1smy s THR 1240CO 0.44 0.01 0.90 0.49 -0.54 0.00 0.00 174.62 175.92 1smy n PHE 1241N 4.10 0.00 -1.70 3.99 3.01 -1.26 -1.18 117.46 124.42 1smy n PHE 1241Ca -0.20 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.85 1smy n PHE 1241Cb 0.57 -0.40 -0.01 0.00 -0.01 0.00 0.00 39.48 39.64 1smy n PHE 1241CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1smy n HIS 1242N -2.39 3.07 -0.30 1.38 8.25 -1.26 -4.24 115.22 119.73 1smy n HIS 1242Ca 0.00 -2.98 -0.10 0.00 -0.26 0.00 0.00 57.72 54.38 1smy n HIS 1242Cb 0.00 -2.42 0.01 0.00 1.12 0.00 0.00 29.99 28.70 1smy n HIS 1242CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1smy n THR 1243N 4.21 0.00 0.00 1.59 -1.04 -0.33 -4.91 114.28 113.81 1smy n THR 1243Ca 0.59 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1smy n THR 1243Cb 0.33 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 1smy n THR 1243CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1smy n GLY 1244N 0.88 -1.58 3.21 3.41 0.00 -1.26 -4.89 105.19 104.95 1smy n GLY 1244Ca 0.00 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 1smy n GLY 1244CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1smy s GLY 1245N -2.91 1.09 -0.47 -0.02 0.00 -1.26 -5.00 107.32 98.75 1smy s GLY 1245Ca 0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 44.72 43.57 1smy s GLY 1245CO 0.00 -0.57 2.18 0.14 0.00 0.00 0.00 173.10 174.86 1smy s VAL 1246N -0.17 3.14 -0.30 1.40 1.01 -1.26 -4.61 120.40 119.62 1smy s VAL 1246Ca -0.01 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 1smy s VAL 1246Cb -0.11 -3.32 0.20 0.00 0.00 0.00 0.00 36.38 33.14 1smy s VAL 1246CO 0.02 -0.29 1.22 0.00 0.00 0.00 0.00 175.10 176.05 1smy s ALA 1247N 10.39 -2.69 0.00 5.51 0.00 -1.26 -5.09 121.76 128.62 1smy s ALA 1247Ca 0.88 1.99 0.00 0.00 0.00 0.00 0.00 51.96 54.83 1smy s ALA 1247Cb -0.18 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1smy s ALA 1247CO 0.26 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1smy n GLY 1248N 3.39 0.35 2.62 0.00 0.00 -1.26 -3.40 105.19 106.89 1smy n GLY 1248Ca -0.16 0.65 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 1smy n GLY 1248CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy n ALA 1249N 7.08 -0.48 -2.62 4.61 0.00 -1.26 -5.09 120.51 122.76 1smy n ALA 1249Ca 0.00 -1.85 -0.42 0.00 0.00 0.00 0.00 53.44 51.17 1smy n ALA 1249Cb 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1smy n ALA 1249CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smy s ALA 1250N 0.14 3.02 0.00 0.00 0.00 -1.22 -4.96 121.76 118.75 1smy s ALA 1250Ca 0.31 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1smy s ALA 1250Cb 0.24 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1smy s ALA 1250CO -0.18 -2.66 0.11 -0.25 0.00 0.00 0.00 175.76 172.77 1smy n ASP 1251N 8.21 0.00 -1.83 0.00 10.43 -1.26 -4.77 116.55 127.32 1smy n ASP 1251Ca 0.05 0.32 0.00 0.00 2.57 0.00 0.00 54.79 57.73 1smy n ASP 1251Cb 0.48 -0.25 0.00 0.00 1.84 0.00 0.00 41.12 43.19 1smy n ASP 1251CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1smy n ILE 1252N -1.25 0.00 -4.05 0.53 5.41 -1.26 -3.34 119.36 115.40 1smy n ILE 1252Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.57 1smy n ILE 1252Cb 0.00 -1.43 -0.16 0.00 -0.71 0.00 0.00 39.64 37.34 1smy n ILE 1252CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1smy s THR 1253N 0.38 0.36 0.50 1.39 -1.32 -1.26 -4.59 115.64 111.10 1smy s THR 1253Ca 0.00 -0.02 0.03 0.00 -1.21 0.00 0.00 61.69 60.48 1smy s THR 1253Cb 0.00 -0.42 -0.01 0.00 -1.51 0.00 0.00 72.50 70.56 1smy s THR 1253CO 0.00 0.18 0.08 -1.10 -2.21 0.00 0.00 174.62 171.57 1smy s GLN 1254N 0.95 2.19 1.30 7.08 -1.52 -1.26 -4.67 119.66 123.73 1smy s GLN 1254Ca -0.11 -2.30 0.00 0.00 -1.95 0.00 0.00 55.36 51.01 1smy s GLN 1254Cb -0.14 -1.65 0.00 0.00 -0.22 0.00 0.00 33.01 31.00 1smy s GLN 1254CO -0.01 -0.37 0.00 0.41 -0.25 0.00 0.00 175.29 175.07 1smy n GLY 1255N -1.32 -1.06 0.33 3.09 0.00 -1.26 -3.56 105.19 101.40 1smy n GLY 1255Ca -0.15 -0.90 0.16 0.00 0.00 0.00 0.00 46.02 45.13 1smy n GLY 1255CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1smy n LEU 1256N 0.00 -0.07 -0.32 0.99 7.94 -1.00 -0.28 117.00 124.25 1smy n LEU 1256Ca 0.00 1.61 0.22 0.00 -1.11 0.00 0.00 56.01 56.73 1smy n LEU 1256Cb 0.18 -0.60 0.43 0.00 0.53 0.00 0.00 43.42 43.96 1smy n LEU 1256CO 0.00 -1.65 1.02 -0.65 -1.11 0.00 0.00 177.39 175.00 1smy h PRO 1257N 0.00 0.17 -0.10 1.96 0.11 -1.71 0.25 132.00 132.67 1smy h PRO 1257Ca 0.60 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.61 1smy h PRO 1257Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1smy h PRO 1257CO -0.88 0.11 -0.26 -0.09 -0.21 0.00 0.00 178.00 176.67 1smy h ARG 1258N 0.17 0.36 -0.74 1.05 2.43 -0.69 -2.41 114.38 114.55 1smy h ARG 1258Ca 0.70 -0.25 0.21 0.00 -0.81 0.00 0.00 59.98 59.83 1smy h ARG 1258Cb 1.62 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.18 1smy h ARG 1258CO -0.70 0.86 0.54 0.28 -1.51 0.00 0.00 179.97 179.44 1smy h VAL 1259N -0.08 0.60 0.39 0.20 2.07 -0.57 0.89 116.25 119.75 1smy h VAL 1259Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1smy h VAL 1259Cb 0.87 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1smy h VAL 1259CO 0.06 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.86 1smy h ILE 1260N 0.00 0.42 -0.97 4.57 1.08 -0.94 -0.10 117.51 121.57 1smy h ILE 1260Ca 0.35 -0.62 0.27 0.00 -0.39 0.00 0.00 64.86 64.47 1smy h ILE 1260Cb 1.44 0.64 -0.05 0.00 -3.07 0.00 0.00 36.82 35.78 1smy h ILE 1260CO -0.00 0.08 0.69 -0.33 -0.69 0.00 0.00 178.15 177.90 1smy h GLU 1261N -0.97 0.08 0.02 2.37 5.08 0.15 0.29 114.58 121.60 1smy h GLU 1261Ca -0.05 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1smy h GLU 1261Cb 0.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1smy h GLU 1261CO 0.09 0.05 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.07 1smy h LEU 1262N 0.08 -0.03 -0.67 1.33 4.07 0.75 -3.25 115.31 117.59 1smy h LEU 1262Ca 0.48 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1smy h LEU 1262Cb 1.75 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.49 1smy h LEU 1262CO -0.05 0.64 0.00 0.49 -1.08 0.00 0.00 178.44 178.44 1smy n PHE 1263N -4.74 0.44 -3.86 1.13 3.01 -0.06 -3.46 117.46 109.91 1smy n PHE 1263Ca -0.04 0.21 -0.31 0.00 1.01 0.00 0.00 57.45 58.32 1smy n PHE 1263Cb 0.18 -0.83 -0.12 0.00 -0.01 0.00 0.00 39.48 38.70 1smy n PHE 1263CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1smy s GLU 1264N -3.27 2.39 -0.95 -1.08 8.01 0.94 -0.25 118.70 124.49 1smy s GLU 1264Ca 0.01 -2.95 -0.25 0.00 0.01 0.00 0.00 54.97 51.79 1smy s GLU 1264Cb 0.06 -3.49 -0.24 0.00 -4.31 0.00 0.00 34.13 26.15 1smy s GLU 1264CO 0.19 -1.20 2.52 0.00 0.01 0.00 0.00 175.26 176.79 1smy n ALA 1265N 2.65 0.55 -2.25 5.21 0.00 -1.22 -4.59 120.51 120.86 1smy n ALA 1265Ca 0.13 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.91 1smy n ALA 1265Cb 0.34 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.29 1smy n ALA 1265CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1smy s ARG 1266N 8.42 1.34 -0.51 0.00 0.52 -1.24 -4.70 118.95 122.78 1smy s ARG 1266Ca 1.31 -1.73 -0.27 0.00 -0.52 0.00 0.00 55.73 54.52 1smy s ARG 1266Cb -1.03 0.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.51 1smy s ARG 1266CO 0.48 -0.40 2.02 0.50 0.02 0.00 0.00 175.30 177.92 1smy s ARG 1267N -4.03 2.63 1.20 3.54 6.06 -1.26 -4.68 118.95 122.41 1smy s ARG 1267Ca 0.38 1.05 -0.13 0.00 -2.50 0.00 0.00 55.73 54.54 1smy s ARG 1267Cb 0.07 -4.41 0.30 0.00 0.06 0.00 0.00 34.95 30.97 1smy s ARG 1267CO 0.14 -2.70 1.01 -2.14 -2.50 0.00 0.00 175.30 169.12 1smy s PRO 1268N 7.11 -1.22 0.01 5.12 0.02 -1.26 -4.97 135.00 139.81 1smy s PRO 1268Ca 0.80 0.83 -0.15 0.00 0.02 0.00 0.00 61.00 62.49 1smy s PRO 1268Cb -0.17 -1.52 -0.08 0.00 0.02 0.00 0.00 34.50 32.75 1smy s PRO 1268CO 0.25 -3.92 0.98 0.87 -0.33 0.00 0.00 177.00 174.85 1smy h LYS 1269N -2.76 -0.53 -3.27 5.54 1.79 -1.90 -3.35 116.57 112.08 1smy h LYS 1269Ca -0.63 0.04 -0.75 0.00 -2.18 0.00 0.00 60.65 57.12 1smy h LYS 1269Cb 1.34 0.12 -0.32 0.00 -1.58 0.00 0.00 32.23 31.79 1smy h LYS 1269CO 0.50 -0.35 0.26 0.00 -1.08 0.00 0.00 179.45 178.77 1smy n ALA 1270N -2.37 4.24 -1.75 3.86 0.00 -1.21 -5.05 120.51 118.23 1smy n ALA 1270Ca -0.07 -4.68 -0.41 0.00 0.00 0.00 0.00 53.44 48.28 1smy n ALA 1270Cb 0.22 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1smy n ALA 1270CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1smy n LYS 1271N 2.18 2.48 -4.05 0.00 4.81 -1.26 -2.73 118.16 119.59 1smy n LYS 1271Ca 0.24 0.87 -0.35 0.00 -0.87 0.00 0.00 58.31 58.20 1smy n LYS 1271Cb 0.37 -2.58 -0.13 0.00 0.02 0.00 0.00 35.03 32.72 1smy n LYS 1271CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1smy s ALA 1272N -1.13 3.04 -0.02 3.14 0.00 0.28 -4.85 121.76 122.21 1smy s ALA 1272Ca 0.55 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 1smy s ALA 1272Cb -0.49 -1.79 -0.07 0.00 0.00 0.00 0.00 23.12 20.77 1smy s ALA 1272CO 0.63 -0.16 1.83 0.14 0.00 0.00 0.00 175.76 178.19 1smy s VAL 1273N 1.02 3.28 0.33 0.00 -7.23 -1.26 -4.75 120.40 111.79 1smy s VAL 1273Ca 0.02 0.34 -0.04 0.00 -1.81 0.00 0.00 61.98 60.49 1smy s VAL 1273Cb -0.14 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 1smy s VAL 1273CO 0.02 -0.04 0.58 0.27 -0.31 0.00 0.00 175.10 175.62 1smy s ILE 1274N 4.46 5.03 -0.52 -0.62 -5.25 -1.26 -2.19 121.20 120.85 1smy s ILE 1274Ca 0.82 -0.06 -0.18 0.00 -0.99 0.00 0.00 60.65 60.24 1smy s ILE 1274Cb -0.38 -3.78 0.08 0.00 2.95 0.00 0.00 42.46 41.32 1smy s ILE 1274CO 0.36 -0.46 0.57 -0.55 -1.79 0.00 0.00 174.94 173.07 1smy s SER 1275N -3.51 6.19 0.40 4.36 0.15 -1.15 -4.84 113.70 115.30 1smy s SER 1275Ca 0.43 -1.18 0.23 0.00 0.70 0.00 0.00 55.95 56.13 1smy s SER 1275Cb -0.10 -2.26 1.24 0.00 -1.71 0.00 0.00 66.02 63.18 1smy s SER 1275CO 0.33 -0.87 1.67 -0.33 1.20 0.00 0.00 173.24 175.24 1smy h GLU 1276N 8.96 0.00 -6.04 5.44 5.08 -1.94 0.19 114.58 126.26 1smy h GLU 1276Ca -0.28 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.51 1smy h GLU 1276Cb 1.10 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.26 1smy h GLU 1276CO 0.97 0.00 -0.58 0.42 -1.00 0.00 0.00 179.01 178.83 1smy s ILE 1277N -3.61 2.79 -0.38 3.13 1.01 -1.26 -4.78 121.20 118.11 1smy s ILE 1277Ca -0.03 -1.84 0.04 0.00 0.00 0.00 0.00 60.65 58.82 1smy s ILE 1277Cb 0.07 -2.89 0.11 0.00 0.01 0.00 0.00 42.46 39.76 1smy s ILE 1277CO 0.21 -0.18 0.10 1.51 0.00 0.00 0.00 174.94 176.57 1smy s ASP 1278N -3.78 4.63 0.00 3.58 -4.77 -1.25 -3.91 116.67 111.17 1smy s ASP 1278Ca 0.36 -2.34 0.00 0.00 -3.30 0.00 0.00 52.55 47.27 1smy s ASP 1278Cb -0.01 -1.60 0.00 0.00 -1.09 0.00 0.00 42.92 40.22 1smy s ASP 1278CO 0.21 -0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.34 1smy n GLY 1279N 4.00 4.29 3.74 2.12 0.00 -1.22 -4.73 105.19 113.40 1smy n GLY 1279Ca 0.04 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 1smy n GLY 1279CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 1280N 0.44 4.23 0.04 1.61 1.01 0.19 -1.95 120.40 125.97 1smy s VAL 1280Ca 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 1smy s VAL 1280Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1smy s VAL 1280CO 0.00 -0.02 0.27 -0.69 0.00 0.00 0.00 175.10 174.66 1smy s VAL 1281N -1.60 5.31 -0.14 2.92 1.01 -0.93 -0.97 120.40 125.99 1smy s VAL 1281Ca 0.29 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 1smy s VAL 1281Cb -0.11 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1smy s VAL 1281CO 0.21 0.26 0.36 -0.13 0.00 0.00 0.00 175.10 175.80 1smy s ARG 1282N -2.07 0.38 0.35 2.72 0.52 0.08 -2.21 118.95 118.72 1smy s ARG 1282Ca 0.31 0.59 0.04 0.00 -0.52 0.00 0.00 55.73 56.15 1smy s ARG 1282Cb -0.13 0.09 -0.06 0.00 0.52 0.00 0.00 34.95 35.37 1smy s ARG 1282CO 0.20 -0.10 0.06 0.42 0.02 0.00 0.00 175.30 175.90 1smy s ILE 1283N 0.72 1.16 0.24 1.52 1.01 -1.26 0.48 121.20 125.08 1smy s ILE 1283Ca -0.04 -2.00 0.01 0.00 0.00 0.00 0.00 60.65 58.61 1smy s ILE 1283Cb -0.05 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1smy s ILE 1283CO -0.05 0.00 0.11 -1.61 0.00 0.00 0.00 174.94 173.39 1smy s GLU 1284N -3.85 1.35 0.00 2.79 0.41 -1.19 -5.01 118.70 113.20 1smy s GLU 1284Ca 0.33 -1.73 0.01 0.00 -0.41 0.00 0.00 54.97 53.17 1smy s GLU 1284Cb 0.08 -0.06 0.02 0.00 -1.78 0.00 0.00 34.13 32.39 1smy s GLU 1284CO 0.15 -0.34 0.89 -0.85 -0.49 0.00 0.00 175.26 174.62 1smy n GLU 1285N -0.40 1.94 -1.63 1.61 0.00 -1.26 -4.57 120.64 116.32 1smy n GLU 1285Ca 0.01 -1.28 -0.39 0.00 0.00 0.00 0.00 57.16 55.50 1smy n GLU 1285Cb 0.66 -1.02 0.03 0.00 0.00 0.00 0.00 31.44 31.11 1smy n GLU 1285CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1smy n THR 1286N -0.29 3.14 0.00 3.84 -1.04 -1.26 -4.91 114.28 113.76 1smy n THR 1286Ca 0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1smy n THR 1286Cb 0.20 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 1smy n THR 1286CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1smy n GLU 1287N -0.50 0.00 0.00 -2.82 4.07 -1.26 -4.04 120.64 116.09 1smy n GLU 1287Ca 0.11 0.32 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 1smy n GLU 1287Cb 0.44 -0.83 0.00 0.00 -0.06 0.00 0.00 31.44 30.99 1smy n GLU 1287CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1smy n GLU 1288N -0.65 0.00 -4.42 5.31 2.13 -1.26 -4.79 120.64 116.97 1smy n GLU 1288Ca 0.00 0.53 -0.31 0.00 0.66 0.00 0.00 57.16 58.04 1smy n GLU 1288Cb 0.00 -1.30 -0.10 0.00 0.27 0.00 0.00 31.44 30.31 1smy n GLU 1288CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1smy s LYS 1289N -2.18 2.45 0.00 5.31 1.02 -1.26 -4.60 119.74 120.48 1smy s LYS 1289Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1smy s LYS 1289Cb 0.00 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1smy s LYS 1289CO 0.00 0.58 0.00 1.28 -0.92 0.00 0.00 175.35 176.29 1smy n LEU 1290N 1.35 0.00 -3.46 3.17 4.77 -1.24 -4.40 117.00 117.20 1smy n LEU 1290Ca -0.15 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.85 1smy n LEU 1290Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1smy n LEU 1290CO 0.31 -0.40 0.79 -0.94 -1.33 0.00 0.00 177.39 175.82 1smy s SER 1291N -1.00 -0.32 -0.21 -1.43 1.04 -1.26 -4.12 113.70 106.40 1smy s SER 1291Ca 0.00 0.46 -0.06 0.00 0.48 0.00 0.00 55.95 56.83 1smy s SER 1291Cb 0.00 1.27 -0.03 0.00 0.10 0.00 0.00 66.02 67.36 1smy s SER 1291CO 0.00 -0.07 0.04 -0.69 0.98 0.00 0.00 173.24 173.50 1smy s VAL 1292N 1.79 4.30 -0.21 5.02 1.01 -0.45 -3.19 120.40 128.66 1smy s VAL 1292Ca -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1smy s VAL 1292Cb -0.03 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1smy s VAL 1292CO -0.15 0.41 -0.04 -0.36 0.00 0.00 0.00 175.10 174.96 1smy s PHE 1293N 1.01 2.96 -0.11 5.22 0.40 0.18 -0.74 117.98 126.89 1smy s PHE 1293Ca 0.03 -0.83 -0.05 0.00 -0.60 0.00 0.00 56.93 55.48 1smy s PHE 1293Cb -0.14 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1smy s PHE 1293CO 0.02 -0.47 0.07 0.08 0.70 0.00 0.00 175.22 175.63 1smy s VAL 1294N 1.31 4.94 -0.21 -0.44 1.01 -0.86 -0.74 120.40 125.41 1smy s VAL 1294Ca 0.04 -0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.74 1smy s VAL 1294Cb -0.14 -3.13 0.09 0.00 0.00 0.00 0.00 36.38 33.20 1smy s VAL 1294CO -0.02 0.60 0.83 -1.83 0.00 0.00 0.00 175.10 174.68 1smy s GLU 1295N -0.83 0.77 0.41 2.72 -1.05 -0.15 -1.04 118.70 119.54 1smy s GLU 1295Ca 0.13 0.61 0.07 0.00 -0.15 0.00 0.00 54.97 55.63 1smy s GLU 1295Cb -0.12 0.37 -0.07 0.00 -0.44 0.00 0.00 34.13 33.87 1smy s GLU 1295CO 0.03 -0.16 0.04 -1.54 0.95 0.00 0.00 175.26 174.59 1smy s SER 1296N -0.23 3.99 0.64 0.83 1.04 -0.88 0.56 113.70 119.66 1smy s SER 1296Ca -0.02 -1.32 0.23 0.00 0.48 0.00 0.00 55.95 55.32 1smy s SER 1296Cb -0.03 -0.40 1.20 0.00 0.10 0.00 0.00 66.02 66.88 1smy s SER 1296CO 0.01 -0.47 1.67 -0.08 0.98 0.00 0.00 173.24 175.35 1smy h GLU 1297N 1.70 0.00 0.00 4.02 4.81 -2.02 -3.10 114.58 119.99 1smy h GLU 1297Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1smy h GLU 1297Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1smy h GLU 1297CO 0.79 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.48 1smy n GLY 1298N -1.38 0.59 1.34 1.92 0.00 -1.26 -5.07 105.19 101.33 1smy n GLY 1298Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1smy n GLY 1298CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1smy n PHE 1299N -1.20 -0.15 -4.03 1.61 1.16 -1.17 -5.18 117.46 108.49 1smy n PHE 1299Ca 0.00 -1.11 -0.08 0.00 -1.87 0.00 0.00 57.45 54.39 1smy n PHE 1299Cb 0.00 0.06 -0.10 0.00 -1.61 0.00 0.00 39.48 37.83 1smy n PHE 1299CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1smy s SER 1300N -1.99 0.36 -0.04 5.98 0.01 -1.26 -2.06 113.70 114.70 1smy s SER 1300Ca 0.13 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.64 1smy s SER 1300Cb 0.01 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.42 1smy s SER 1300CO 0.09 -0.48 -0.06 -0.75 0.41 0.00 0.00 173.24 172.45 1smy s LYS 1301N -2.88 0.97 0.11 12.44 2.47 -0.20 -5.00 119.74 127.65 1smy s LYS 1301Ca -0.03 -0.18 -0.20 0.00 -1.56 0.00 0.00 55.97 54.01 1smy s LYS 1301Cb 0.00 -0.92 -0.07 0.00 -1.46 0.00 0.00 37.83 35.39 1smy s LYS 1301CO -0.06 -0.03 0.61 -2.00 0.16 0.00 0.00 175.35 174.02 1smy s GLU 1302N 0.76 4.23 -0.23 4.03 -6.30 -1.26 -2.02 118.70 117.89 1smy s GLU 1302Ca -0.11 0.78 -0.01 0.00 -2.50 0.00 0.00 54.97 53.12 1smy s GLU 1302Cb -0.14 -3.17 0.07 0.00 0.00 0.00 0.00 34.13 30.89 1smy s GLU 1302CO 0.01 0.59 0.02 0.71 0.02 0.00 0.00 175.26 176.61 1smy s TYR 1303N -1.20 1.60 -0.21 5.30 4.12 0.08 -4.99 117.35 122.04 1smy s TYR 1303Ca 0.32 -1.33 -0.29 0.00 0.02 0.00 0.00 57.07 55.79 1smy s TYR 1303Cb -0.19 -1.35 -0.01 0.00 -1.52 0.00 0.00 41.96 38.88 1smy s TYR 1303CO 0.20 -0.72 1.36 -1.59 0.02 0.00 0.00 175.55 174.82 1smy s LYS 1304N 1.66 4.06 -0.43 -0.62 0.00 -1.26 -1.35 119.74 121.80 1smy s LYS 1304Ca -0.00 1.56 0.04 0.00 0.00 0.00 0.00 55.97 57.57 1smy s LYS 1304Cb -0.18 -3.86 0.12 0.00 0.00 0.00 0.00 37.83 33.91 1smy s LYS 1304CO -0.11 -0.94 0.16 -0.51 0.00 0.00 0.00 175.35 173.94 1smy s LEU 1305N 4.09 4.36 0.92 2.77 1.43 -1.26 -5.00 118.68 125.98 1smy s LEU 1305Ca 0.59 -2.56 -0.13 0.00 -1.03 0.00 0.00 54.13 51.00 1smy s LEU 1305Cb -0.21 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.45 1smy s LEU 1305CO 0.21 -0.31 0.41 -2.65 0.23 0.00 0.00 176.35 174.24 1smy n PRO 1306N 3.71 -0.20 -0.25 1.29 -0.02 -1.26 -3.70 135.00 134.56 1smy n PRO 1306Ca 0.04 -0.01 -0.02 0.00 -2.02 0.00 0.00 63.50 61.49 1smy n PRO 1306Cb 0.37 -1.84 0.01 0.00 -0.02 0.00 0.00 33.50 32.02 1smy n PRO 1306CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1smy n LYS 1307N -1.50 -0.17 0.28 -0.52 2.85 -1.26 -0.36 118.16 117.48 1smy n LYS 1307Ca 0.07 0.98 0.19 0.00 -1.05 0.00 0.00 58.31 58.50 1smy n LYS 1307Cb 0.53 -1.45 0.93 0.00 -0.65 0.00 0.00 35.03 34.40 1smy n LYS 1307CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1smy h GLU 1308N 0.00 0.00 -6.27 -1.58 5.08 -1.99 -3.43 114.58 106.40 1smy h GLU 1308Ca 0.20 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.00 1smy h GLU 1308Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1smy h GLU 1308CO -0.63 0.00 1.12 0.00 -1.00 0.00 0.00 179.01 178.50 1smy s ALA 1309N -3.87 3.32 -0.37 3.43 0.00 0.52 -4.96 121.76 119.82 1smy s ALA 1309Ca -0.02 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.27 1smy s ALA 1309Cb 0.11 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1smy s ALA 1309CO 0.43 -1.86 0.58 1.03 0.00 0.00 0.00 175.76 175.93 1smy s ARG 1310N 4.57 3.55 0.16 0.00 0.52 -1.26 -4.94 118.95 121.54 1smy s ARG 1310Ca 0.71 -0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.47 1smy s ARG 1310Cb -0.26 -3.85 -0.07 0.00 0.52 0.00 0.00 34.95 31.30 1smy s ARG 1310CO 0.29 -0.76 1.05 -0.48 0.02 0.00 0.00 175.30 175.42 1smy s LEU 1311N 2.58 4.50 0.19 2.53 2.34 -1.26 -2.36 118.68 127.20 1smy s LEU 1311Ca 0.21 1.99 0.23 0.00 0.06 0.00 0.00 54.13 56.62 1smy s LEU 1311Cb -0.15 -3.60 0.05 0.00 -0.56 0.00 0.00 46.19 41.93 1smy s LEU 1311CO 0.15 -0.16 1.08 -0.07 -1.06 0.00 0.00 176.35 176.29 1smy h LEU 1312N 5.24 0.00-10.19 1.48 3.38 -1.12 -3.48 115.31 110.62 1smy h LEU 1312Ca -0.44 -0.05 -0.48 0.00 0.09 0.00 0.00 57.88 57.00 1smy h LEU 1312Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1smy h LEU 1312CO 0.72 0.02 -0.25 0.54 0.09 0.00 0.00 178.44 179.56 1smy s VAL 1313N -3.33 5.14 0.17 1.22 0.11 -1.23 -5.08 120.40 117.41 1smy s VAL 1313Ca 0.01 -0.52 0.07 0.00 -2.93 0.00 0.00 61.98 58.61 1smy s VAL 1313Cb 0.10 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1smy s VAL 1313CO 0.78 -0.44 -0.15 -1.59 -3.33 0.00 0.00 175.10 170.36 1smy s LYS 1314N -4.06 1.24 -0.37 1.54 0.00 -1.26 -5.08 119.74 111.75 1smy s LYS 1314Ca 0.39 -1.45 -0.30 0.00 0.00 0.00 0.00 55.97 54.61 1smy s LYS 1314Cb -0.10 -1.12 -0.08 0.00 0.00 0.00 0.00 37.83 36.53 1smy s LYS 1314CO 0.33 0.21 2.29 -0.25 0.00 0.00 0.00 175.35 177.93 1smy n ASP 1315N 0.03 2.53 0.00 0.03 8.00 -1.26 -3.57 116.55 122.30 1smy n ASP 1315Ca -0.11 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1smy n ASP 1315Cb 0.59 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1smy n ASP 1315CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1smy n GLY 1316N 6.10 1.28 3.64 0.44 0.00 -0.94 -4.98 105.19 110.73 1smy n GLY 1316Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 1smy n GLY 1316CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1smy s ASP 1317N -0.22 3.65 0.79 1.61 2.15 -1.23 -4.60 116.67 118.81 1smy s ASP 1317Ca 0.00 -1.53 -0.13 0.00 0.43 0.00 0.00 52.55 51.32 1smy s ASP 1317Cb 0.00 0.14 0.07 0.00 -0.30 0.00 0.00 42.92 42.83 1smy s ASP 1317CO 0.00 -0.70 1.18 -0.47 -0.17 0.00 0.00 175.17 175.01 1smy s TYR 1318N -2.92 1.94 -0.27 -5.34 6.14 -1.24 -2.20 117.35 113.46 1smy s TYR 1318Ca 0.22 1.66 -0.00 0.00 0.64 0.00 0.00 57.07 59.58 1smy s TYR 1318Cb 0.05 -3.41 0.15 0.00 0.42 0.00 0.00 41.96 39.18 1smy s TYR 1318CO 0.11 -2.63 0.40 0.14 0.64 0.00 0.00 175.55 174.21 1smy s VAL 1319N -2.25 -0.64 0.96 3.14 -7.23 -0.82 -4.93 120.40 108.63 1smy s VAL 1319Ca 0.71 -0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 60.57 1smy s VAL 1319Cb -0.27 -0.92 0.10 0.00 0.56 0.00 0.00 36.38 35.85 1smy s VAL 1319CO 0.50 -0.21 0.71 -0.62 -0.31 0.00 0.00 175.10 175.17 1smy n GLU 1320N 5.36 -0.51 -1.71 4.82 1.02 -1.26 -3.38 120.64 124.98 1smy n GLU 1320Ca -0.01 -0.10 -0.43 0.00 -0.02 0.00 0.00 57.16 56.60 1smy n GLU 1320Cb 0.50 -2.07 -0.03 0.00 -0.02 0.00 0.00 31.44 29.81 1smy n GLU 1320CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1smy n ALA 1321N -3.96 2.49 -1.07 0.62 0.00 -1.25 -1.82 120.51 115.52 1smy n ALA 1321Ca 0.08 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.89 1smy n ALA 1321Cb 0.53 -2.51 -0.01 0.00 0.00 0.00 0.00 19.45 17.46 1smy n ALA 1321CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smy n GLY 1322N 3.94 0.58 3.79 0.00 0.00 0.65 -4.37 105.19 109.78 1smy n GLY 1322Ca 0.17 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 1smy n GLY 1322CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1smy s GLN 1323N -1.81 3.81 -0.26 1.61 0.74 -0.76 -4.62 119.66 118.38 1smy s GLN 1323Ca 0.00 1.46 -0.29 0.00 0.05 0.00 0.00 55.36 56.58 1smy s GLN 1323Cb 0.00 -2.19 -0.02 0.00 1.10 0.00 0.00 33.01 31.90 1smy s GLN 1323CO 0.00 -0.44 1.58 -2.14 -0.55 0.00 0.00 175.29 173.74 1smy s PRO 1324N -3.05 3.74 -0.22 1.67 0.02 -1.26 -2.92 135.00 132.98 1smy s PRO 1324Ca 0.66 1.52 -0.19 0.00 0.02 0.00 0.00 61.00 63.01 1smy s PRO 1324Cb -0.19 -4.03 -0.16 0.00 0.02 0.00 0.00 34.50 30.13 1smy s PRO 1324CO 0.23 -1.36 0.06 -0.11 -0.33 0.00 0.00 177.00 175.49 1smy n LEU 1325N 8.58 1.88 0.00 -5.54 7.94 -0.93 -4.66 117.00 124.27 1smy n LEU 1325Ca 0.19 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.51 1smy n LEU 1325Cb 0.46 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.48 1smy n LEU 1325CO 0.65 0.26 0.00 0.41 -1.11 0.00 0.00 177.39 177.61 1smy n THR 1326N -4.41 0.00 -3.91 1.96 -1.04 -1.21 -0.84 114.28 104.83 1smy n THR 1326Ca -0.34 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.38 1smy n THR 1326Cb 0.69 -1.39 -0.16 0.00 -1.82 0.00 0.00 70.33 67.65 1smy n THR 1326CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1smy s ARG 1327N -1.49 1.56 0.00 -2.82 3.52 -0.99 -3.99 118.95 114.74 1smy s ARG 1327Ca 0.00 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 1smy s ARG 1327Cb 0.00 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.24 1smy s ARG 1327CO 0.00 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.45 1smy n GLY 1328N 4.82 0.08 3.93 8.12 0.00 -1.26 -4.84 105.19 116.05 1smy n GLY 1328Ca -0.12 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 1smy n GLY 1328CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy s ALA 1329N -1.00 3.79 -0.02 4.61 0.00 -1.10 -4.88 121.76 123.15 1smy s ALA 1329Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1smy s ALA 1329Cb 0.00 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 1smy s ALA 1329CO 0.00 0.32 -0.20 0.42 0.00 0.00 0.00 175.76 176.30 1smy s ILE 1330N -1.98 1.60 -0.25 0.00 1.01 -1.26 0.98 121.20 121.30 1smy s ILE 1330Ca 0.39 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 1smy s ILE 1330Cb -0.11 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.03 1smy s ILE 1330CO 0.30 0.45 1.07 -0.62 0.00 0.00 0.00 174.94 176.15 1smy s ASP 1331N -0.36 7.03 0.24 3.58 3.68 -1.26 -4.85 116.67 124.73 1smy s ASP 1331Ca 0.05 1.30 -0.05 0.00 2.13 0.00 0.00 52.55 55.98 1smy s ASP 1331Cb -0.09 -2.54 0.47 0.00 -1.45 0.00 0.00 42.92 39.31 1smy s ASP 1331CO 0.00 -0.75 1.69 -0.65 0.13 0.00 0.00 175.17 175.59 1smy h PRO 1332N 7.72 0.27 -0.52 4.34 0.11 -1.95 -2.09 132.00 139.87 1smy h PRO 1332Ca -0.20 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.99 1smy h PRO 1332Cb 1.06 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.01 1smy h PRO 1332CO 1.00 0.18 -0.31 0.45 -0.21 0.00 0.00 178.00 179.10 1smy h HIS 1333N 0.27 -0.86 0.42 0.65 3.86 -1.93 0.45 115.15 118.02 1smy h HIS 1333Ca 0.42 0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.68 1smy h HIS 1333Cb 0.71 0.45 -0.03 0.00 1.06 0.00 0.00 27.41 29.61 1smy h HIS 1333CO -0.26 -0.37 -0.49 1.96 0.86 0.00 0.00 177.93 179.63 1smy h GLN 1334N -0.18 -0.90 -0.85 2.45 4.20 -1.80 0.58 115.11 118.61 1smy h GLN 1334Ca 0.22 0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.17 1smy h GLN 1334Cb 0.54 0.20 -0.06 0.00 0.30 0.00 0.00 27.48 28.46 1smy h GLN 1334CO -0.62 -0.60 0.57 1.25 -0.67 0.00 0.00 178.83 178.75 1smy h LEU 1335N -0.93 0.43 -0.12 1.46 5.85 -1.16 0.16 115.31 121.00 1smy h LEU 1335Ca -0.05 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1smy h LEU 1335Cb 0.83 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1smy h LEU 1335CO -0.10 0.19 0.05 0.25 -0.34 0.00 0.00 178.44 178.49 1smy h LEU 1336N 0.44 0.16 -1.43 2.25 5.85 0.87 0.12 115.31 123.57 1smy h LEU 1336Ca 0.44 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 1smy h LEU 1336Cb 1.02 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1smy h LEU 1336CO -0.16 0.26 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.66 1smy h GLU 1337N 0.04 0.10 0.00 1.25 3.07 0.15 -1.84 114.58 117.36 1smy h GLU 1337Ca 0.04 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.76 1smy h GLU 1337Cb 0.15 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1smy h GLU 1337CO -0.00 0.32 -1.10 0.00 -1.40 0.00 0.00 179.01 176.82 1smy n ALA 1338N -2.49 0.76 1.12 3.43 0.00 0.01 -4.60 120.51 118.73 1smy n ALA 1338Ca -0.02 -0.66 0.12 0.00 0.00 0.00 0.00 53.44 52.88 1smy n ALA 1338Cb 0.30 -0.06 0.25 0.00 0.00 0.00 0.00 19.45 19.94 1smy n ALA 1338CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1smy n LYS 1339N -4.48 0.57 0.00 0.00 4.81 0.40 -4.81 118.16 114.64 1smy n LYS 1339Ca -0.21 -0.37 0.00 0.00 -0.87 0.00 0.00 58.31 56.86 1smy n LYS 1339Cb 0.51 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 34.07 1smy n LYS 1339CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1smy n GLY 1340N 1.41 0.61 0.20 3.14 0.00 -0.69 -4.31 105.19 105.55 1smy n GLY 1340Ca 0.09 -1.86 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 1smy n GLY 1340CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1smy h PRO 1341N 0.00 0.11 -0.34 1.61 0.11 -1.88 -0.22 132.00 131.39 1smy h PRO 1341Ca 0.00 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.20 1smy h PRO 1341Cb 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1smy h PRO 1341CO 0.00 0.07 0.29 0.93 -0.21 0.00 0.00 178.00 179.08 1smy h GLU 1342N 0.12 0.00 0.12 1.05 3.07 -1.95 -0.03 114.58 116.96 1smy h GLU 1342Ca 0.25 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.91 1smy h GLU 1342Cb 0.37 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1smy h GLU 1342CO -0.41 0.00 -0.85 0.00 -1.40 0.00 0.00 179.01 176.35 1smy h ALA 1343N 1.75 -0.06 0.73 3.43 0.00 -1.24 -2.93 119.26 120.94 1smy h ALA 1343Ca 0.16 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1smy h ALA 1343Cb 0.73 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1smy h ALA 1343CO -0.00 0.41 -0.36 -0.39 0.00 0.00 0.00 179.25 178.91 1smy h VAL 1344N -0.24 0.26 -0.22 0.00 -1.51 -0.74 -0.76 116.25 113.05 1smy h VAL 1344Ca -0.14 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.36 1smy h VAL 1344Cb 1.64 0.26 -0.05 0.00 -2.13 0.00 0.00 31.29 31.01 1smy h VAL 1344CO 0.16 0.00 -0.37 -0.33 -1.23 0.00 0.00 177.57 175.80 1smy h GLU 1345N -1.00 -0.29 -0.93 5.19 5.08 -1.19 0.19 114.58 121.63 1smy h GLU 1345Ca -0.10 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.54 1smy h GLU 1345Cb 0.77 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.94 1smy h GLU 1345CO 0.16 -0.19 0.40 -0.09 -1.00 0.00 0.00 179.01 178.29 1smy h ARG 1346N -0.30 0.31 -0.02 2.33 9.65 -1.51 -0.91 114.38 123.94 1smy h ARG 1346Ca 0.04 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1smy h ARG 1346Cb 0.41 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1smy h ARG 1346CO -0.37 0.20 -0.00 -0.92 2.80 0.00 0.00 179.97 181.69 1smy h TYR 1347N 0.32 0.03 -0.07 2.20 3.20 0.74 -2.98 116.97 120.40 1smy h TYR 1347Ca 0.62 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.52 1smy h TYR 1347Cb 1.28 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.48 1smy h TYR 1347CO -0.14 0.35 -0.37 -0.07 -1.64 0.00 0.00 178.16 176.29 1smy h LEU 1348N -0.29 -1.15 -0.03 2.82 4.07 0.61 0.11 115.31 121.46 1smy h LEU 1348Ca 0.00 0.15 0.02 0.00 0.08 0.00 0.00 57.88 58.13 1smy h LEU 1348Cb 0.33 0.47 -0.04 0.00 1.08 0.00 0.00 40.66 42.50 1smy h LEU 1348CO 0.00 -0.41 -0.36 0.58 -1.08 0.00 0.00 178.44 177.18 1smy h VAL 1349N -0.48 0.00 -0.55 1.22 2.07 -1.46 -0.58 116.25 116.46 1smy h VAL 1349Ca 0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.70 1smy h VAL 1349Cb 0.60 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.28 1smy h VAL 1349CO -0.34 0.00 0.05 -0.33 0.02 0.00 0.00 177.57 176.97 1smy h GLU 1350N -0.42 0.17 -0.68 1.57 5.08 -1.35 -0.66 114.58 118.29 1smy h GLU 1350Ca 0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1smy h GLU 1350Cb 0.47 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1smy h GLU 1350CO -0.25 0.11 0.39 1.49 -1.00 0.00 0.00 179.01 179.75 1smy h GLU 1351N 0.17 0.92 0.51 2.33 4.57 -0.42 -1.81 114.58 120.85 1smy h GLU 1351Ca 0.28 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1smy h GLU 1351Cb 0.43 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1smy h GLU 1351CO -0.42 0.65 -0.24 0.82 -1.18 0.00 0.00 179.01 178.64 1smy h ILE 1352N 0.93 0.30 -1.60 2.32 2.04 0.29 -2.99 117.51 118.80 1smy h ILE 1352Ca 0.24 -0.46 0.47 0.00 1.00 0.00 0.00 64.86 66.11 1smy h ILE 1352Cb -0.02 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1smy h ILE 1352CO -0.04 0.05 1.14 1.56 0.00 0.00 0.00 178.15 180.86 1smy h GLN 1353N -1.03 0.02 0.05 2.37 1.08 -0.96 0.26 115.11 116.89 1smy h GLN 1353Ca -0.07 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1smy h GLN 1353Cb 0.60 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.98 1smy h GLN 1353CO 0.11 0.01 -0.44 0.87 -0.95 0.00 0.00 178.83 178.44 1smy h LYS 1354N 0.02 -0.60 0.04 1.46 1.79 -1.17 0.00 116.57 118.10 1smy h LYS 1354Ca 0.78 0.04 0.03 0.00 -2.18 0.00 0.00 60.65 59.32 1smy h LYS 1354Cb 3.05 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 33.80 1smy h LYS 1354CO -0.05 -0.40 -0.23 0.28 -1.08 0.00 0.00 179.45 177.97 1smy h VAL 1355N -0.62 0.48 0.49 0.50 2.07 -1.05 -2.46 116.25 115.66 1smy h VAL 1355Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1smy h VAL 1355Cb 0.68 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1smy h VAL 1355CO -0.29 0.00 -0.32 1.88 0.02 0.00 0.00 177.57 178.86 1smy h TYR 1356N -0.38 -0.84 -0.94 1.57 -1.99 -1.53 -2.76 116.97 110.10 1smy h TYR 1356Ca 0.05 -0.01 0.17 0.00 2.00 0.00 0.00 58.73 60.94 1smy h TYR 1356Cb 0.44 0.30 -0.10 0.00 2.00 0.00 0.00 36.73 39.37 1smy h TYR 1356CO -0.25 -0.48 0.53 0.00 -0.00 0.00 0.00 178.16 177.96 1smy h ARG 1357N -0.77 0.70 0.00 4.88 3.08 -0.99 0.58 114.38 121.85 1smy h ARG 1357Ca -0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1smy h ARG 1357Cb 0.64 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1smy h ARG 1357CO 0.04 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.41 1smy n ALA 1358N -2.38 1.42 -1.58 0.04 0.00 -0.93 -2.40 120.51 114.69 1smy n ALA 1358Ca 0.20 0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.71 1smy n ALA 1358Cb 0.49 -1.30 0.19 0.00 0.00 0.00 0.00 19.45 18.83 1smy n ALA 1358CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1smy n GLN 1359N -2.05 1.88 0.00 0.00 1.13 0.20 -4.98 117.38 113.56 1smy n GLN 1359Ca 0.01 -3.34 0.00 0.00 -1.94 0.00 0.00 57.00 51.73 1smy n GLN 1359Cb 0.14 -1.77 0.00 0.00 0.11 0.00 0.00 30.24 28.72 1smy n GLN 1359CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1smy n GLY 1360N -1.09 2.19 3.77 1.08 0.00 -1.01 -4.97 105.19 105.16 1smy n GLY 1360Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1smy n GLY 1360CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 1361N -0.35 2.23 -0.55 1.61 1.01 -1.06 -4.94 120.40 118.35 1smy s VAL 1361Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.26 1smy s VAL 1361Cb 0.00 -3.14 0.19 0.00 0.00 0.00 0.00 36.38 33.43 1smy s VAL 1361CO 0.00 0.05 0.47 0.29 0.00 0.00 0.00 175.10 175.92 1smy n LYS 1362N 0.88 1.17 -4.02 2.72 4.76 -1.26 -3.69 118.16 118.72 1smy n LYS 1362Ca 0.02 -3.87 -0.33 0.00 -2.87 0.00 0.00 58.31 51.27 1smy n LYS 1362Cb 0.40 -1.92 -0.06 0.00 -1.84 0.00 0.00 35.03 31.61 1smy n LYS 1362CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1smy s LEU 1363N -1.00 4.07 0.29 -0.35 0.05 -1.26 -4.15 118.68 116.33 1smy s LEU 1363Ca 0.31 0.20 -0.29 0.00 0.05 0.00 0.00 54.13 54.40 1smy s LEU 1363Cb 0.04 -2.45 -0.10 0.00 -2.05 0.00 0.00 46.19 41.63 1smy s LEU 1363CO -0.15 0.25 1.29 -2.28 -0.55 0.00 0.00 176.35 174.91 1smy s HIS 1364N -1.28 3.15 0.30 3.48 5.65 -1.11 -4.91 115.29 120.57 1smy s HIS 1364Ca 0.26 1.38 0.05 0.00 0.25 0.00 0.00 55.06 57.00 1smy s HIS 1364Cb -0.12 -3.63 0.70 0.00 -1.18 0.00 0.00 32.58 28.35 1smy s HIS 1364CO 0.17 -1.77 1.79 -0.44 -0.65 0.00 0.00 174.74 173.84 1smy h ASP 1365N 3.94 0.82 -0.90 9.88 3.45 -1.23 -2.92 116.42 129.45 1smy h ASP 1365Ca -0.48 0.09 0.12 0.00 0.43 0.00 0.00 57.03 57.19 1smy h ASP 1365Cb 1.22 -0.07 -0.13 0.00 -0.56 0.00 0.00 39.33 39.79 1smy h ASP 1365CO 0.69 0.33 -0.41 0.29 -1.57 0.00 0.00 179.24 178.57 1smy n LYS 1366N -4.73 -0.27 0.02 3.56 5.02 -1.26 -1.47 118.16 119.04 1smy n LYS 1366Ca 0.22 1.38 -0.12 0.00 -2.02 0.00 0.00 58.31 57.77 1smy n LYS 1366Cb 0.53 -2.04 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 1smy n LYS 1366CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1smy h HIS 1367N 0.00 -1.09 -0.83 2.13 3.86 -1.90 -0.62 115.15 116.70 1smy h HIS 1367Ca 0.26 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1smy h HIS 1367Cb 0.49 0.49 -0.04 0.00 1.06 0.00 0.00 27.41 29.41 1smy h HIS 1367CO -0.83 -0.46 0.51 0.82 0.86 0.00 0.00 177.93 178.83 1smy h ILE 1368N -0.49 1.23 -0.44 2.45 2.04 -1.42 -2.16 117.51 118.71 1smy h ILE 1368Ca 0.07 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.52 1smy h ILE 1368Cb 0.61 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1smy h ILE 1368CO -0.35 0.24 0.10 -0.33 0.00 0.00 0.00 178.15 177.80 1smy h GLU 1369N 1.14 0.23 -0.22 2.37 5.08 -0.26 0.14 114.58 123.06 1smy h GLU 1369Ca 0.30 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1smy h GLU 1369Cb -0.06 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.07 1smy h GLU 1369CO -0.06 0.15 -0.53 0.82 -1.00 0.00 0.00 179.01 178.40 1smy h ILE 1370N 0.24 0.00 -0.83 3.13 1.08 -0.47 0.18 117.51 120.84 1smy h ILE 1370Ca 0.22 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.68 1smy h ILE 1370Cb 0.27 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.97 1smy h ILE 1370CO -0.27 0.00 0.50 0.58 -0.69 0.00 0.00 178.15 178.26 1smy h VAL 1371N -0.50 1.23 -0.04 1.67 2.07 -1.43 -2.80 116.25 116.45 1smy h VAL 1371Ca 0.04 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1smy h VAL 1371Cb 0.63 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1smy h VAL 1371CO -0.47 0.24 -0.32 0.58 0.02 0.00 0.00 177.57 177.62 1smy h VAL 1372N 1.14 0.31 -0.75 2.57 2.07 0.12 -2.21 116.25 119.50 1smy h VAL 1372Ca 0.30 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.95 1smy h VAL 1372Cb -0.04 0.31 -0.14 0.00 -1.52 0.00 0.00 31.29 29.90 1smy h VAL 1372CO -0.06 0.00 -0.31 -0.09 0.02 0.00 0.00 177.57 177.14 1smy h ARG 1373N -0.44 -0.07 0.00 1.57 2.43 -0.48 0.39 114.38 117.78 1smy h ARG 1373Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1smy h ARG 1373Cb 0.55 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1smy h ARG 1373CO -0.29 -0.05 0.00 1.96 -1.51 0.00 0.00 179.97 180.08 1smy h GLN 1374N -0.07 0.00 0.00 0.20 1.08 -1.28 0.10 115.11 115.14 1smy h GLN 1374Ca 0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1smy h GLN 1374Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1smy h GLN 1374CO -0.80 0.00 0.00 0.52 -0.95 0.00 0.00 178.83 177.60 1smy h MET 1375N 0.00 0.00 0.00 1.46 2.86 0.20 -3.19 114.93 116.26 1smy h MET 1375Ca 0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1smy h MET 1375Cb 0.09 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.62 1smy h MET 1375CO 0.00 0.00 -0.68 -1.33 1.06 0.00 0.00 176.91 175.96 1smy n MET 1376N -2.79 1.01 -0.09 1.72 2.81 0.32 -0.69 117.12 119.40 1smy n MET 1376Ca 0.02 -2.81 0.04 0.00 -1.81 0.00 0.00 57.70 53.14 1smy n MET 1376Cb 0.33 -1.03 0.15 0.00 -0.71 0.00 0.00 33.22 31.96 1smy n MET 1376CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1smy n LYS 1377N -0.54 1.46 -4.11 0.03 2.85 -0.98 -4.69 118.16 112.18 1smy n LYS 1377Ca 0.14 -0.71 -0.32 0.00 -1.05 0.00 0.00 58.31 56.36 1smy n LYS 1377Cb 0.85 -1.19 -0.16 0.00 -0.65 0.00 0.00 35.03 33.88 1smy n LYS 1377CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1smy s TYR 1378N -1.75 2.67 0.25 5.58 1.51 -1.26 -0.73 117.35 123.62 1smy s TYR 1378Ca 0.17 -1.57 0.10 0.00 -1.01 0.00 0.00 57.07 54.76 1smy s TYR 1378Cb 0.09 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 1smy s TYR 1378CO 0.12 -0.78 -0.09 0.14 -1.11 0.00 0.00 175.55 173.82 1smy s VAL 1379N 1.32 3.05 0.28 0.71 -7.23 -0.58 -2.89 120.40 115.06 1smy s VAL 1379Ca 0.05 -2.02 0.06 0.00 -1.81 0.00 0.00 61.98 58.25 1smy s VAL 1379Cb -0.13 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1smy s VAL 1379CO -0.12 -0.32 0.38 -0.70 -0.31 0.00 0.00 175.10 174.03 1smy s GLU 1380N -3.41 3.23 0.04 4.82 2.12 -0.25 -0.34 118.70 124.92 1smy s GLU 1380Ca 0.29 -0.92 0.05 0.00 0.36 0.00 0.00 54.97 54.75 1smy s GLU 1380Cb -0.06 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 1smy s GLU 1380CO 0.17 0.27 -0.08 0.08 -0.54 0.00 0.00 175.26 175.15 1smy s VAL 1381N -2.09 3.51 0.00 3.70 1.01 -1.26 -0.23 120.40 125.05 1smy s VAL 1381Ca 0.39 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1smy s VAL 1381Cb -0.09 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1smy s VAL 1381CO 0.29 0.28 0.00 0.35 0.00 0.00 0.00 175.10 176.02 1smy n THR 1382N 1.22 0.00 -3.69 3.92 -2.24 -0.26 -3.11 114.28 110.12 1smy n THR 1382Ca -0.14 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.26 1smy n THR 1382Cb 0.52 -0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 1smy n THR 1382CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1smy s ASP 1383N -3.47 5.41 1.31 3.42 -1.08 -0.99 -4.74 116.67 116.53 1smy s ASP 1383Ca 0.00 -2.40 -0.19 0.00 -0.52 0.00 0.00 52.55 49.44 1smy s ASP 1383Cb 0.00 -1.89 0.33 0.00 -1.46 0.00 0.00 42.92 39.90 1smy s ASP 1383CO 0.00 -0.50 0.99 -2.84 0.52 0.00 0.00 175.17 173.34 1smy s PRO 1384N 0.61 -2.08 0.01 4.34 0.02 -1.26 -2.99 135.00 133.66 1smy s PRO 1384Ca 0.12 0.27 0.00 0.00 0.02 0.00 0.00 61.00 61.42 1smy s PRO 1384Cb -0.22 -1.47 0.00 0.00 0.02 0.00 0.00 34.50 32.84 1smy s PRO 1384CO -0.04 -4.35 0.00 0.41 -0.33 0.00 0.00 177.00 172.70 1smy n GLY 1385N 0.76 -0.47 0.96 0.52 0.00 -1.26 -4.76 105.19 100.94 1smy n GLY 1385Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1smy n GLY 1385CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1smy n ASP 1386N -2.53 1.04 -4.63 1.61 -0.08 -1.26 -5.05 116.55 105.65 1smy n ASP 1386Ca 0.00 0.14 -0.34 0.00 -1.51 0.00 0.00 54.79 53.07 1smy n ASP 1386Cb 0.00 -0.33 -0.10 0.00 2.34 0.00 0.00 41.12 43.03 1smy n ASP 1386CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1smy s SER 1387N -5.88 5.03 1.00 1.67 0.01 -1.26 -5.09 113.70 109.18 1smy s SER 1387Ca -0.03 0.07 -0.21 0.00 1.31 0.00 0.00 55.95 57.09 1smy s SER 1387Cb 0.00 -1.43 -0.17 0.00 0.21 0.00 0.00 66.02 64.63 1smy s SER 1387CO 0.04 0.35 -1.11 0.54 0.41 0.00 0.00 173.24 173.46 1smy n ARG 1388N 2.35 -0.00 0.00 12.44 3.00 -1.26 -4.71 116.66 128.48 1smy n ARG 1388Ca -0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.66 1smy n ARG 1388Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 32.46 31.99 1smy n ARG 1388CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1smy n LEU 1389N 3.49 0.00 -4.28 0.55 -0.00 -1.26 -4.46 117.00 111.04 1smy n LEU 1389Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.89 1smy n LEU 1389Cb 0.64 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.96 1smy n LEU 1389CO 0.49 0.00 1.40 0.00 -0.00 0.00 0.00 177.39 179.28 1smy n LEU 1390N 0.00 -1.14 0.00 1.47 -0.00 -1.18 -4.03 117.00 112.11 1smy n LEU 1390Ca 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 56.01 54.77 1smy n LEU 1390Cb 0.00 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 42.63 1smy n LEU 1390CO 0.00 -1.86 0.00 -0.62 -0.00 0.00 0.00 177.39 174.91 1smy n GLU 1391N 5.60 0.00 -1.20 1.47 -0.58 -1.26 -4.96 120.64 119.70 1smy n GLU 1391Ca 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1smy n GLU 1391Cb 0.37 -0.06 0.00 0.00 -0.57 0.00 0.00 31.44 31.18 1smy n GLU 1391CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1smy n GLY 1392N 3.27 -2.31 3.26 0.62 0.00 -1.24 -4.91 105.19 103.87 1smy n GLY 1392Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1smy n GLY 1392CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1smy s GLN 1393N -0.00 1.55 -0.27 1.61 -0.21 0.54 -4.87 119.66 118.01 1smy s GLN 1393Ca 0.00 -1.88 -0.38 0.00 0.02 0.00 0.00 55.36 53.13 1smy s GLN 1393Cb 0.00 0.26 -0.14 0.00 1.00 0.00 0.00 33.01 34.14 1smy s GLN 1393CO 0.00 -0.54 1.90 0.28 -2.12 0.00 0.00 175.29 174.81 1smy n VAL 1394N -0.50 0.32 -0.09 1.09 0.31 -1.26 -1.53 118.33 116.68 1smy n VAL 1394Ca 0.05 -0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.18 1smy n VAL 1394Cb 0.64 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 32.06 1smy n VAL 1394CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1smy h LEU 1395N 9.01 -1.19 -2.00 7.52 7.12 -1.26 -0.97 115.31 133.54 1smy h LEU 1395Ca -0.41 0.16 -0.02 0.00 0.13 0.00 0.00 57.88 57.74 1smy h LEU 1395Cb 1.31 0.49 -0.00 0.00 -0.53 0.00 0.00 40.66 41.93 1smy h LEU 1395CO 0.98 -0.25 -0.08 -0.08 -0.13 0.00 0.00 178.44 178.87 1smy h GLU 1396N -0.24 0.00 -0.02 1.25 4.22 -1.91 0.25 114.58 118.13 1smy h GLU 1396Ca 0.05 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.49 1smy h GLU 1396Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1smy h GLU 1396CO -0.38 0.08 0.02 0.87 -2.18 0.00 0.00 179.01 177.43 1smy h LYS 1397N 0.00 0.00 0.00 1.92 1.57 -1.56 0.15 116.57 118.65 1smy h LYS 1397Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1smy h LYS 1397Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1smy h LYS 1397CO 0.01 0.00 -1.36 -1.49 -0.57 0.00 0.00 179.45 176.04 1smy h TRP 1398N 0.00 0.00 0.00 -1.35 4.06 -0.23 -3.20 115.95 115.22 1smy h TRP 1398Ca 0.01 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 1smy h TRP 1398Cb 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.21 1smy h TRP 1398CO 0.00 0.79 -0.09 -0.44 -3.56 0.00 0.00 178.44 175.14 1smy h ASP 1399N 0.00 0.00 0.36 -3.49 3.32 0.05 -1.48 116.42 115.18 1smy h ASP 1399Ca -0.17 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1smy h ASP 1399Cb 1.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.30 1smy h ASP 1399CO 0.07 0.09 -0.17 0.58 -1.72 0.00 0.00 179.24 178.09 1smy h VAL 1400N 0.00 0.25 0.15 -1.35 2.07 -1.22 -2.70 116.25 113.45 1smy h VAL 1400Ca -0.00 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1smy h VAL 1400Cb 0.28 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1smy h VAL 1400CO 0.01 0.06 -0.07 -0.08 0.02 0.00 0.00 177.57 177.51 1smy h GLU 1401N -1.06 -0.20 -0.92 1.57 4.57 -1.56 -2.33 114.58 114.66 1smy h GLU 1401Ca -0.05 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.31 1smy h GLU 1401Cb 0.47 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.00 1smy h GLU 1401CO 0.08 0.06 0.51 0.00 -1.18 0.00 0.00 179.01 178.48 1smy h ALA 1402N 0.37 1.46 0.38 2.92 0.00 -1.43 0.56 119.26 123.52 1smy h ALA 1402Ca -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1smy h ALA 1402Cb 0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1smy h ALA 1402CO 0.03 -0.08 -0.24 -0.07 0.00 0.00 0.00 179.25 178.90 1smy h LEU 1403N 0.68 -0.59 -1.24 0.00 3.38 -1.30 -2.77 115.31 113.47 1smy h LEU 1403Ca 0.52 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.44 1smy h LEU 1403Cb 0.78 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1smy h LEU 1403CO -0.38 -0.36 -0.34 0.78 0.09 0.00 0.00 178.44 178.22 1smy h ASN 1404N -0.58 0.06 0.79 -0.43 4.21 -1.14 -0.70 115.58 117.79 1smy h ASN 1404Ca -0.05 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.44 1smy h ASN 1404Cb 0.46 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 1smy h ASN 1404CO 0.05 0.41 0.00 -0.33 -1.29 0.00 0.00 177.43 176.27 1smy h GLU 1405N 0.06 0.00 0.00 0.81 4.39 0.13 0.09 114.58 120.06 1smy h GLU 1405Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1smy h GLU 1405Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1smy h GLU 1405CO 0.05 0.00 -0.18 -2.13 -1.16 0.00 0.00 179.01 175.59 1smy n ARG 1406N -2.61 5.79 -0.06 2.33 0.00 -1.05 -4.06 116.66 117.01 1smy n ARG 1406Ca 0.01 -0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.73 1smy n ARG 1406Cb 0.24 -0.63 -0.04 0.00 0.00 0.00 0.00 32.46 32.03 1smy n ARG 1406CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1smy n LEU 1407N -1.09 1.12 -0.05 6.15 4.32 -0.29 -4.89 117.00 122.26 1smy n LEU 1407Ca 0.00 0.19 -0.03 0.00 -0.02 0.00 0.00 56.01 56.15 1smy n LEU 1407Cb 0.03 -0.45 -0.01 0.00 -1.62 0.00 0.00 43.42 41.37 1smy n LEU 1407CO 0.04 0.12 -0.23 -0.38 -1.22 0.00 0.00 177.39 175.71 1smy n ILE 1408N -3.71 0.93 -2.97 -0.08 5.41 -0.72 -4.81 119.36 113.40 1smy n ILE 1408Ca -0.23 0.31 -0.41 0.00 1.00 0.00 0.00 62.75 63.42 1smy n ILE 1408Cb 0.60 -2.09 -0.05 0.00 -0.71 0.00 0.00 39.64 37.40 1smy n ILE 1408CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1smy s ALA 1409N -2.83 3.60 1.03 -1.39 0.00 -0.06 -5.04 121.76 117.08 1smy s ALA 1409Ca -0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 1smy s ALA 1409Cb 0.01 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.98 1smy s ALA 1409CO 0.15 -0.98 0.32 -0.85 0.00 0.00 0.00 175.76 174.40 1smy n GLU 1410N 5.98 -0.96 -1.33 0.00 0.28 -1.26 -3.69 120.64 119.66 1smy n GLU 1410Ca 0.03 -0.50 0.00 0.00 -0.16 0.00 0.00 57.16 56.53 1smy n GLU 1410Cb 0.48 -0.40 0.00 0.00 1.43 0.00 0.00 31.44 32.95 1smy n GLU 1410CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1smy n GLY 1411N 1.62 0.91 3.33 -1.84 0.00 -1.26 -4.87 105.19 103.08 1smy n GLY 1411Ca 0.04 -0.34 -0.54 0.00 0.00 0.00 0.00 46.02 45.18 1smy n GLY 1411CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1smy n LYS 1412N -1.32 0.03 -3.42 1.61 -0.00 -1.26 -4.86 118.16 108.94 1smy n LYS 1412Ca 0.00 0.01 -0.36 0.00 -0.00 0.00 0.00 58.31 57.96 1smy n LYS 1412Cb 0.44 -1.53 -0.05 0.00 -0.00 0.00 0.00 35.03 33.90 1smy n LYS 1412CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1smy n THR 1413N 6.82 3.51 -1.60 0.58 -2.24 -1.26 -5.05 114.28 115.05 1smy n THR 1413Ca 0.58 -5.36 -0.53 0.00 -2.27 0.00 0.00 64.05 56.47 1smy n THR 1413Cb -0.01 -2.25 -0.07 0.00 -2.10 0.00 0.00 70.33 65.91 1smy n THR 1413CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1smy n PRO 1414N 1.72 1.33 -3.01 -0.78 -0.02 -1.26 -4.84 135.00 128.14 1smy n PRO 1414Ca 0.25 0.45 -0.44 0.00 -2.02 0.00 0.00 63.50 61.73 1smy n PRO 1414Cb 0.37 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1smy n PRO 1414CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1smy s VAL 1415N 5.16 4.98 -0.23 -1.45 -7.23 -1.26 -4.73 120.40 115.63 1smy s VAL 1415Ca 1.02 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.90 1smy s VAL 1415Cb -0.92 -4.75 -0.02 0.00 0.56 0.00 0.00 36.38 31.25 1smy s VAL 1415CO 0.56 -1.44 1.54 0.00 -0.31 0.00 0.00 175.10 175.45 1smy s ALA 1416N 1.91 3.31 0.41 1.32 0.00 -1.16 -4.90 121.76 122.65 1smy s ALA 1416Ca 0.32 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.76 1smy s ALA 1416Cb -0.05 -3.83 -0.05 0.00 0.00 0.00 0.00 23.12 19.19 1smy s ALA 1416CO -0.08 -1.88 0.21 1.67 0.00 0.00 0.00 175.76 175.69 1smy s TRP 1417N 4.96 2.63 -0.07 0.00 -2.14 -1.26 -1.10 118.94 121.96 1smy s TRP 1417Ca 0.68 -0.56 0.02 0.00 2.66 0.00 0.00 56.10 58.90 1smy s TRP 1417Cb -0.23 -1.98 0.01 0.00 -3.10 0.00 0.00 33.47 28.17 1smy s TRP 1417CO 0.28 0.14 -0.13 0.15 -2.66 0.00 0.00 176.95 174.72 1smy s LYS 1418N -3.94 1.81 0.26 3.25 1.02 0.68 -4.92 119.74 117.90 1smy s LYS 1418Ca 0.42 -0.46 -0.31 0.00 0.02 0.00 0.00 55.97 55.65 1smy s LYS 1418Cb 0.02 -1.48 -0.12 0.00 -0.52 0.00 0.00 37.83 35.74 1smy s LYS 1418CO 0.23 0.05 1.65 -2.14 -0.92 0.00 0.00 175.35 174.22 1smy s PRO 1419N 0.61 4.12 0.02 -1.68 0.02 -1.26 -1.08 135.00 135.75 1smy s PRO 1419Ca -0.15 2.60 0.07 0.00 0.02 0.00 0.00 61.00 63.54 1smy s PRO 1419Cb -0.16 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 1smy s PRO 1419CO 0.04 -0.69 -0.21 -1.17 -0.33 0.00 0.00 177.00 174.64 1smy s LEU 1420N 0.21 2.12 -0.16 -5.54 2.96 -1.14 -4.84 118.68 112.29 1smy s LEU 1420Ca 0.68 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 1smy s LEU 1420Cb -0.49 -1.04 0.00 0.00 0.50 0.00 0.00 46.19 45.16 1smy s LEU 1420CO 0.41 0.21 -0.16 -0.22 -1.32 0.00 0.00 176.35 175.27 1smy s LEU 1421N -0.93 2.40 0.00 -0.68 2.96 -1.26 -4.37 118.68 116.80 1smy s LEU 1421Ca 0.08 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1smy s LEU 1421Cb -0.09 -1.54 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 1smy s LEU 1421CO 0.01 0.07 -0.01 0.00 -1.32 0.00 0.00 176.35 175.09 1smy s MET 1422N 0.93 0.10 0.56 1.98 0.23 0.13 -5.01 119.30 118.22 1smy s MET 1422Ca -0.03 -0.12 -0.21 0.00 -1.03 0.00 0.00 55.69 54.30 1smy s MET 1422Cb -0.15 -0.04 -0.05 0.00 -1.53 0.00 0.00 34.83 33.07 1smy s MET 1422CO -0.02 0.01 1.24 0.41 -2.03 0.00 0.00 175.02 174.62 1smy n GLY 1423N 2.82 0.42 0.32 3.16 0.00 -1.26 -4.48 105.19 106.18 1smy n GLY 1423Ca -0.14 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1smy n GLY 1423CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1smy h VAL 1424N 1.13 0.12 0.47 1.61 2.07 -0.99 0.92 116.25 121.58 1smy h VAL 1424Ca -0.50 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1smy h VAL 1424Cb 1.32 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1smy h VAL 1424CO 0.55 0.01 -0.48 0.74 0.02 0.00 0.00 177.57 178.41 1smy h THR 1425N 0.05 0.00 -0.16 2.57 2.02 -1.88 -2.27 112.91 113.24 1smy h THR 1425Ca 0.54 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.73 1smy h THR 1425Cb 1.05 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1smy h THR 1425CO -0.85 0.00 0.07 0.50 0.37 0.00 0.00 175.52 175.62 1smy h LYS 1426N -0.95 0.16 -0.97 6.66 3.64 -1.36 -0.78 116.57 122.97 1smy h LYS 1426Ca -0.06 -0.01 0.32 0.00 -1.27 0.00 0.00 60.65 59.63 1smy h LYS 1426Cb 0.82 -0.04 -0.18 0.00 -0.41 0.00 0.00 32.23 32.43 1smy h LYS 1426CO -0.06 0.10 0.22 0.45 -2.27 0.00 0.00 179.45 177.89 1smy n SER 1427N -5.02 0.06 0.03 4.20 2.88 0.30 -0.26 113.62 115.81 1smy n SER 1427Ca -0.04 1.63 -0.22 0.00 -1.33 0.00 0.00 58.87 58.91 1smy n SER 1427Cb 0.05 -0.67 -0.14 0.00 -0.75 0.00 0.00 64.21 62.70 1smy n SER 1427CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1smy h ALA 1428N 1.93 0.18 0.00 -1.46 0.00 -1.13 -3.35 119.26 115.44 1smy h ALA 1428Ca 0.68 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1smy h ALA 1428Cb 1.59 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1smy h ALA 1428CO -0.84 0.89 0.04 -0.11 0.00 0.00 0.00 179.25 179.22 1smy n LEU 1429N -3.82 0.00 -2.97 0.00 7.94 0.64 -2.72 117.00 116.07 1smy n LEU 1429Ca -0.25 0.06 -0.14 0.00 -1.11 0.00 0.00 56.01 54.57 1smy n LEU 1429Cb 0.95 -0.06 -0.02 0.00 0.53 0.00 0.00 43.42 44.82 1smy n LEU 1429CO 0.44 -0.06 -0.03 -1.54 -1.11 0.00 0.00 177.39 175.08 1smy n SER 1430N -0.91 -1.89 -3.94 1.96 3.41 -0.98 -4.96 113.62 106.30 1smy n SER 1430Ca 0.00 -2.89 -0.21 0.00 -0.26 0.00 0.00 58.87 55.51 1smy n SER 1430Cb 0.04 0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 64.76 1smy n SER 1430CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1smy n THR 1431N 2.15 0.00 0.00 6.66 -2.24 -1.10 -4.95 114.28 114.80 1smy n THR 1431Ca 0.18 -1.61 -0.00 0.00 -2.27 0.00 0.00 64.05 60.35 1smy n THR 1431Cb 0.56 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1smy n THR 1431CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1smy h LYS 1432N 0.00 -0.01 -6.29 -0.78 5.09 -1.96 -3.42 116.57 109.21 1smy h LYS 1432Ca -0.27 0.00 -0.57 0.00 0.09 0.00 0.00 60.65 59.90 1smy h LYS 1432Cb 0.90 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.19 1smy h LYS 1432CO 0.44 -0.01 0.98 -1.54 -2.09 0.00 0.00 179.45 177.23 1smy s SER 1433N -2.49 6.71 0.47 7.07 1.04 -1.26 -4.91 113.70 120.33 1smy s SER 1433Ca -0.00 1.41 0.16 0.00 0.48 0.00 0.00 55.95 58.00 1smy s SER 1433Cb 0.00 -2.54 1.13 0.00 0.10 0.00 0.00 66.02 64.71 1smy s SER 1433CO 0.01 -1.02 2.03 4.11 0.98 0.00 0.00 173.24 179.36 1smy h TRP 1434N 9.20 0.26 -0.43 5.02 0.09 -1.93 -2.38 115.95 125.78 1smy h TRP 1434Ca -0.27 0.01 0.07 0.00 0.09 0.00 0.00 58.89 58.78 1smy h TRP 1434Cb 1.11 -0.09 -0.09 0.00 0.08 0.00 0.00 29.16 30.17 1smy h TRP 1434CO 0.86 0.14 -0.45 -0.07 0.09 0.00 0.00 178.44 179.01 1smy h LEU 1435N 0.26 -1.51 -0.68 0.11 4.07 -1.96 0.73 115.31 116.32 1smy h LEU 1435Ca 0.19 0.23 0.09 0.00 0.08 0.00 0.00 57.88 58.47 1smy h LEU 1435Cb 0.43 0.66 -0.07 0.00 1.08 0.00 0.00 40.66 42.75 1smy h LEU 1435CO -0.04 -0.37 0.32 0.28 -1.08 0.00 0.00 178.44 177.55 1smy h SER 1436N -0.33 0.40 1.02 -0.43 0.02 -1.80 -0.95 113.55 111.48 1smy h SER 1436Ca 0.13 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1smy h SER 1436Cb 0.59 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1smy h SER 1436CO -0.59 0.23 -0.19 0.00 -1.14 0.00 0.00 176.83 175.13 1smy h ALA 1437N 1.43 1.00 0.00 3.77 0.00 -0.94 -2.30 119.26 122.21 1smy h ALA 1437Ca 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1smy h ALA 1437Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1smy h ALA 1437CO -0.28 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1smy n ALA 1438N -2.20 2.32 1.10 0.00 0.00 0.23 -2.65 120.51 119.31 1smy n ALA 1438Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1smy n ALA 1438Cb 0.43 -1.43 0.47 0.00 0.00 0.00 0.00 19.45 18.92 1smy n ALA 1438CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1smy n SER 1439N -1.29 0.33 -4.96 0.00 7.64 -0.87 -4.59 113.62 109.89 1smy n SER 1439Ca 0.12 -0.07 -0.20 0.00 1.01 0.00 0.00 58.87 59.73 1smy n SER 1439Cb 0.21 -0.09 0.04 0.00 -1.01 0.00 0.00 64.21 63.36 1smy n SER 1439CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1smy s PHE 1440N -2.87 2.27 -0.01 1.43 0.40 -1.09 -4.96 117.98 113.15 1smy s PHE 1440Ca 0.16 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1smy s PHE 1440Cb 0.19 -2.51 0.01 0.00 0.51 0.00 0.00 43.02 41.22 1smy s PHE 1440CO 0.58 -0.91 1.69 0.00 0.70 0.00 0.00 175.22 177.28 1smy n GLN 1441N -2.21 1.03 0.00 0.44 10.64 -1.26 -2.70 117.38 123.31 1smy n GLN 1441Ca 0.11 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1smy n GLN 1441Cb 0.60 -1.02 0.00 0.00 -0.86 0.00 0.00 30.24 28.96 1smy n GLN 1441CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1smy n ASN 1442N 1.14 0.84 -0.20 2.61 6.94 -1.26 -4.89 115.26 120.45 1smy n ASN 1442Ca 0.01 -1.34 -0.02 0.00 -0.02 0.00 0.00 54.58 53.21 1smy n ASN 1442Cb 0.51 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.93 1smy n ASN 1442CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1smy n THR 1443N -0.17 -0.29 -0.09 5.53 -2.24 -1.10 -1.10 114.28 114.82 1smy n THR 1443Ca 0.00 1.19 -0.02 0.00 -2.27 0.00 0.00 64.05 62.94 1smy n THR 1443Cb 0.29 -1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 66.96 1smy n THR 1443CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1smy n THR 1444N -4.71 -0.15 0.15 4.28 -1.04 -1.26 -0.91 114.28 110.65 1smy n THR 1444Ca 0.04 1.39 -0.14 0.00 -2.04 0.00 0.00 64.05 63.30 1smy n THR 1444Cb 0.18 -1.80 -0.08 0.00 -1.82 0.00 0.00 70.33 66.81 1smy n THR 1444CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1smy h HIS 1445N 0.00 -0.34 -0.99 -1.42 6.17 -1.51 -2.43 115.15 114.64 1smy h HIS 1445Ca 0.04 -0.01 0.26 0.00 0.71 0.00 0.00 60.37 61.36 1smy h HIS 1445Cb 0.09 0.11 -0.19 0.00 2.52 0.00 0.00 27.41 29.95 1smy h HIS 1445CO -0.76 -0.09 -0.04 0.28 0.71 0.00 0.00 177.93 178.03 1smy h VAL 1446N -0.54 0.01 0.01 5.26 2.07 -0.74 -1.99 116.25 120.33 1smy h VAL 1446Ca -0.04 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1smy h VAL 1446Cb 0.40 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1smy h VAL 1446CO 0.06 0.00 -0.00 -0.07 0.02 0.00 0.00 177.57 177.58 1smy h LEU 1447N 0.00 -0.01 -0.79 2.57 4.07 -1.02 -2.43 115.31 117.70 1smy h LEU 1447Ca 0.57 -0.81 0.07 0.00 0.08 0.00 0.00 57.88 57.80 1smy h LEU 1447Cb 1.12 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.77 1smy h LEU 1447CO -0.95 0.83 -0.46 0.41 -1.08 0.00 0.00 178.44 177.19 1smy n THR 1448N -4.69 -0.53 0.27 0.22 -1.04 -0.79 0.68 114.28 108.39 1smy n THR 1448Ca -0.09 2.03 -0.13 0.00 -2.04 0.00 0.00 64.05 63.82 1smy n THR 1448Cb 0.40 -2.52 -0.07 0.00 -1.82 0.00 0.00 70.33 66.32 1smy n THR 1448CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1smy h GLU 1449N 0.00 -0.75 -1.53 -2.82 4.57 -1.56 -2.27 114.58 110.22 1smy h GLU 1449Ca 0.13 0.05 0.44 0.00 -1.18 0.00 0.00 59.36 58.80 1smy h GLU 1449Cb 0.32 0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 29.02 1smy h GLU 1449CO -0.74 -0.50 1.10 0.00 -1.18 0.00 0.00 179.01 177.69 1smy h ALA 1450N -1.35 3.45 -0.07 2.92 0.00 -0.76 -1.96 119.26 121.51 1smy h ALA 1450Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1smy h ALA 1450Cb 0.64 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1smy h ALA 1450CO 0.04 -1.89 0.00 0.00 0.00 0.00 0.00 179.25 177.40 1smy n ALA 1451N -2.84 -0.23 -0.32 0.00 0.00 0.22 -1.66 120.51 115.68 1smy n ALA 1451Ca 0.34 0.00 0.30 0.00 0.00 0.00 0.00 53.44 54.08 1smy n ALA 1451Cb 1.58 0.00 0.57 0.00 0.00 0.00 0.00 19.45 21.60 1smy n ALA 1451CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1smy h ILE 1452N 0.00 0.02 0.00 0.00 1.08 -0.82 0.64 117.51 118.44 1smy h ILE 1452Ca 0.00 -0.01 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1smy h ILE 1452Cb 0.00 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 1smy h ILE 1452CO 0.00 0.00 -0.62 0.00 -0.69 0.00 0.00 178.15 176.84 1smy h ALA 1453N 1.99 0.73 -3.53 1.87 0.00 -1.63 -3.35 119.26 115.34 1smy h ALA 1453Ca 0.83 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 1smy h ALA 1453Cb 2.15 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.99 1smy h ALA 1453CO -0.77 0.37 -0.10 0.41 0.00 0.00 0.00 179.25 179.16 1smy n GLY 1454N 1.21 0.00 3.70 0.00 0.00 0.22 -2.14 105.19 108.18 1smy n GLY 1454Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1smy n GLY 1454CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smy s LYS 1455N -3.16 4.49 -0.57 1.61 -0.14 -0.66 -4.69 119.74 116.62 1smy s LYS 1455Ca 0.05 1.35 -0.16 0.00 -1.36 0.00 0.00 55.97 55.86 1smy s LYS 1455Cb -0.01 -3.50 0.14 0.00 -1.68 0.00 0.00 37.83 32.79 1smy s LYS 1455CO 0.16 -0.15 0.52 0.15 -0.76 0.00 0.00 175.35 175.27 1smy s LYS 1456N 1.42 3.04 -1.13 1.68 1.02 -1.26 -2.20 119.74 122.31 1smy s LYS 1456Ca 0.49 -1.78 -0.24 0.00 0.02 0.00 0.00 55.97 54.47 1smy s LYS 1456Cb -0.20 -4.31 -0.11 0.00 -0.52 0.00 0.00 37.83 32.69 1smy s LYS 1456CO 0.23 -1.33 1.98 0.34 -0.92 0.00 0.00 175.35 175.65 1smy s ASP 1457N 3.47 4.68 -0.13 2.83 -1.08 0.20 -4.87 116.67 121.78 1smy s ASP 1457Ca 0.04 -1.41 -0.30 0.00 -0.52 0.00 0.00 52.55 50.36 1smy s ASP 1457Cb -0.28 -2.59 -0.07 0.00 -1.46 0.00 0.00 42.92 38.52 1smy s ASP 1457CO 0.02 -3.42 2.11 -0.62 0.52 0.00 0.00 175.17 173.78 1smy n GLU 1458N 8.32 2.25 -1.94 4.34 -0.58 -1.26 -3.78 120.64 127.99 1smy n GLU 1458Ca 0.44 0.73 -0.38 0.00 -0.42 0.00 0.00 57.16 57.52 1smy n GLU 1458Cb 0.47 -3.07 -0.03 0.00 -0.57 0.00 0.00 31.44 28.24 1smy n GLU 1458CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1smy s LEU 1459N 6.58 3.32 -0.04 -4.62 1.43 -1.26 -4.68 118.68 119.42 1smy s LEU 1459Ca 0.97 0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 54.52 1smy s LEU 1459Cb -0.43 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 1smy s LEU 1459CO 0.40 -2.44 -0.16 -0.38 0.23 0.00 0.00 176.35 173.99 1smy n ILE 1460N 7.38 1.27 -0.58 -0.59 5.41 -1.26 -4.98 119.36 126.00 1smy n ILE 1460Ca 0.24 0.27 -0.30 0.00 1.00 0.00 0.00 62.75 63.96 1smy n ILE 1460Cb 0.52 -1.91 0.27 0.00 -0.71 0.00 0.00 39.64 37.81 1smy n ILE 1460CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1smy s GLY 1461N -4.34 1.47 -0.07 7.39 0.00 -1.26 -4.80 107.32 105.70 1smy s GLY 1461Ca -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 1smy s GLY 1461CO 0.20 0.14 -0.05 1.41 0.00 0.00 0.00 173.10 174.80 1smy h LEU 1462N -3.16 0.00 -0.67 0.66 3.38 -1.88 -3.29 115.31 110.35 1smy h LEU 1462Ca -0.45 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.62 1smy h LEU 1462Cb 1.33 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.97 1smy h LEU 1462CO 0.31 0.38 -0.26 1.17 0.09 0.00 0.00 178.44 180.13 1smy n LYS 1463N -3.71 -0.16 0.38 1.13 4.81 -1.26 0.16 118.16 119.50 1smy n LYS 1463Ca -0.02 1.02 -0.19 0.00 -0.87 0.00 0.00 58.31 58.25 1smy n LYS 1463Cb 0.08 -1.52 -0.09 0.00 0.02 0.00 0.00 35.03 33.52 1smy n LYS 1463CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1smy h GLU 1464N 0.00 -1.04 0.00 1.64 4.11 -1.92 -2.71 114.58 114.65 1smy h GLU 1464Ca 0.23 0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1smy h GLU 1464Cb 0.39 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1smy h GLU 1464CO -0.66 -0.69 0.00 -1.71 0.07 0.00 0.00 179.01 176.02 1smy n ASN 1465N -5.58 0.32 0.02 3.06 2.85 0.12 -2.35 115.26 113.71 1smy n ASN 1465Ca -0.14 0.64 -0.15 0.00 -0.11 0.00 0.00 54.58 54.83 1smy n ASN 1465Cb 0.46 -0.69 -0.14 0.00 1.24 0.00 0.00 39.78 40.66 1smy n ASN 1465CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1smy h VAL 1466N 0.00 0.98 -0.89 3.44 2.07 -0.57 -2.93 116.25 118.35 1smy h VAL 1466Ca 0.00 -2.71 0.15 0.00 0.82 0.00 0.00 66.70 64.96 1smy h VAL 1466Cb 0.04 2.60 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 1smy h VAL 1466CO 0.00 0.74 0.57 0.40 0.02 0.00 0.00 177.57 179.30 1smy h ILE 1467N 0.04 0.82 0.00 4.57 2.04 -1.43 1.49 117.51 125.05 1smy h ILE 1467Ca -0.28 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1smy h ILE 1467Cb 2.00 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1smy h ILE 1467CO 0.12 0.12 0.00 -0.11 0.00 0.00 0.00 178.15 178.28 1smy n LEU 1468N -4.56 0.49 -0.92 1.44 0.00 -1.25 -4.83 117.00 107.38 1smy n LEU 1468Ca 0.17 0.62 -0.12 0.00 0.00 0.00 0.00 56.01 56.68 1smy n LEU 1468Cb 0.49 -0.54 -0.05 0.00 0.00 0.00 0.00 43.42 43.31 1smy n LEU 1468CO 0.29 -0.45 -0.11 0.61 0.00 0.00 0.00 177.39 177.73 1smy n GLY 1469N 0.10 1.30 3.88 -3.96 0.00 0.51 -4.98 105.19 102.04 1smy n GLY 1469Ca 0.03 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1smy n GLY 1469CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1smy s ARG 1470N -3.01 2.34 0.49 1.61 3.52 -1.11 -5.01 118.95 117.78 1smy s ARG 1470Ca 0.00 0.32 -0.23 0.00 -0.13 0.00 0.00 55.73 55.69 1smy s ARG 1470Cb 0.00 -1.97 -0.07 0.00 -1.56 0.00 0.00 34.95 31.35 1smy s ARG 1470CO 0.00 -1.37 1.31 -1.17 -0.81 0.00 0.00 175.30 173.25 1smy s LEU 1471N -5.52 3.99 -0.18 -0.88 2.96 -1.26 -4.72 118.68 113.07 1smy s LEU 1471Ca 0.60 2.65 -0.29 0.00 -0.22 0.00 0.00 54.13 56.87 1smy s LEU 1471Cb -0.11 -4.15 -0.03 0.00 0.50 0.00 0.00 46.19 42.39 1smy s LEU 1471CO 0.51 -1.22 1.52 -0.63 -1.32 0.00 0.00 176.35 175.20 1smy s ILE 1472N -1.34 3.84 -2.00 6.68 -1.09 -1.26 -4.89 121.20 121.14 1smy s ILE 1472Ca 0.65 0.97 0.02 0.00 -2.23 0.00 0.00 60.65 60.07 1smy s ILE 1472Cb -0.37 -3.76 0.06 0.00 -1.58 0.00 0.00 42.46 36.80 1smy s ILE 1472CO 0.46 -0.23 0.45 -2.65 -1.23 0.00 0.00 174.94 171.73 1smy n PRO 1473N 7.30 0.10 -0.02 2.79 -0.02 -1.26 -2.78 135.00 141.11 1smy n PRO 1473Ca 0.17 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.60 1smy n PRO 1473Cb 0.45 -1.30 -0.02 0.00 -0.02 0.00 0.00 33.50 32.61 1smy n PRO 1473CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smy n ALA 1474N -0.80 2.07 -1.00 3.55 0.00 -1.26 -4.36 120.51 118.70 1smy n ALA 1474Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1smy n ALA 1474Cb 0.01 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1smy n ALA 1474CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smy n GLY 1475N 2.55 -2.65 0.25 0.00 0.00 -1.24 -3.99 105.19 100.12 1smy n GLY 1475Ca -0.08 -0.42 0.17 0.00 0.00 0.00 0.00 46.02 45.69 1smy n GLY 1475CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1smy h THR 1476N 0.00 0.00 0.00 2.61 2.02 -1.86 -1.78 112.91 113.90 1smy h THR 1476Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1smy h THR 1476Cb 0.00 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1smy h THR 1476CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1smy n GLY 1477N -0.72 0.52 3.66 2.16 0.00 -1.12 -4.20 105.19 105.49 1smy n GLY 1477Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1smy n GLY 1477CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1smy s SER 1478N -0.68 7.08 0.14 1.61 0.15 -0.67 -4.36 113.70 116.97 1smy s SER 1478Ca 0.00 1.35 0.05 0.00 0.70 0.00 0.00 55.95 58.06 1smy s SER 1478Cb 0.00 -2.53 0.29 0.00 -1.71 0.00 0.00 66.02 62.08 1smy s SER 1478CO 0.00 -0.63 1.00 0.47 1.20 0.00 0.00 173.24 175.28 1smy n ASP 1479N 6.15 0.14 -0.02 5.45 8.00 -1.26 0.26 116.55 135.27 1smy n ASP 1479Ca 0.11 0.40 -0.17 0.00 0.71 0.00 0.00 54.79 55.84 1smy n ASP 1479Cb 0.46 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 1smy n ASP 1479CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1smy h PHE 1480N 0.00 0.91 0.00 1.24 3.04 -1.94 -3.39 116.94 116.80 1smy h PHE 1480Ca 0.00 -0.41 -0.04 0.00 3.98 0.00 0.00 57.97 61.51 1smy h PHE 1480Cb 0.49 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1smy h PHE 1480CO 0.00 1.22 -1.56 0.28 -2.02 0.00 0.00 178.31 176.23 1smy n VAL 1481N -4.07 0.14 -0.42 1.41 0.31 0.14 -4.61 118.33 111.23 1smy n VAL 1481Ca -0.08 -0.30 0.37 0.00 -0.01 0.00 0.00 64.34 64.32 1smy n VAL 1481Cb 0.69 0.05 0.63 0.00 -0.91 0.00 0.00 33.84 34.30 1smy n VAL 1481CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1smy n ARG 1482N -1.99 -0.04 -3.74 5.55 1.74 0.03 -3.47 116.66 114.74 1smy n ARG 1482Ca -0.05 1.22 -0.38 0.00 -0.77 0.00 0.00 57.85 57.87 1smy n ARG 1482Cb 0.40 -2.35 -0.12 0.00 -1.02 0.00 0.00 32.46 29.37 1smy n ARG 1482CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1smy s PHE 1483N -5.22 3.24 -0.29 -1.55 0.40 -1.26 -5.03 117.98 108.26 1smy s PHE 1483Ca -0.07 -1.34 -0.13 0.00 -0.60 0.00 0.00 56.93 54.79 1smy s PHE 1483Cb 0.30 -2.28 0.12 0.00 0.51 0.00 0.00 43.02 41.67 1smy s PHE 1483CO 0.77 -0.71 0.73 0.99 0.70 0.00 0.00 175.22 177.71 1smy s THR 1484N 1.42 -0.61 0.21 0.64 2.01 -1.23 -5.02 115.64 113.07 1smy s THR 1484Ca -0.01 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.07 1smy s THR 1484Cb -0.19 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1smy s THR 1484CO 0.03 0.00 0.05 -1.10 -0.69 0.00 0.00 174.62 172.91 1smy s GLN 1485N 2.41 2.52 0.16 4.92 -0.21 -1.26 -5.13 119.66 123.07 1smy s GLN 1485Ca -0.07 -1.15 0.10 0.00 0.02 0.00 0.00 55.36 54.26 1smy s GLN 1485Cb -0.09 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 1smy s GLN 1485CO -0.19 0.43 -0.17 0.14 -2.12 0.00 0.00 175.29 173.38 1smy s VAL 1486N -1.96 2.80 0.16 1.09 -7.23 -1.26 -5.15 120.40 108.85 1smy s VAL 1486Ca 0.30 -1.72 -0.05 0.00 -1.81 0.00 0.00 61.98 58.69 1smy s VAL 1486Cb -0.08 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 1smy s VAL 1486CO 0.21 -0.04 0.19 -0.69 -0.31 0.00 0.00 175.10 174.46 1smy s VAL 1487N -1.49 0.07 -0.03 1.32 1.01 -1.26 -5.14 120.40 114.88 1smy s VAL 1487Ca 0.21 -1.65 0.07 0.00 0.00 0.00 0.00 61.98 60.60 1smy s VAL 1487Cb -0.09 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1smy s VAL 1487CO 0.12 -0.31 -0.23 -1.81 0.00 0.00 0.00 175.10 172.87 1smy s ASP 1488N -3.02 2.74 0.58 3.32 1.01 -1.26 -5.01 116.67 115.02 1smy s ASP 1488Ca 0.23 -0.44 0.30 0.00 0.71 0.00 0.00 52.55 53.35 1smy s ASP 1488Cb 0.05 -0.49 1.44 0.00 1.01 0.00 0.00 42.92 44.94 1smy s ASP 1488CO 0.03 0.26 1.85 1.56 0.21 0.00 0.00 175.17 179.07 1smy h GLN 1489N 5.79 0.00 0.09 8.23 1.08 -2.01 0.36 115.11 128.64 1smy h GLN 1489Ca -0.37 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1smy h GLN 1489Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1smy h GLN 1489CO 0.47 0.00 -0.04 0.87 -0.95 0.00 0.00 178.83 179.18 1smy h LYS 1490N 0.00 -0.11 -0.00 1.46 1.57 -2.01 -3.07 116.57 114.41 1smy h LYS 1490Ca 0.31 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.02 1smy h LYS 1490Cb 1.49 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 1smy h LYS 1490CO -0.00 0.28 -0.36 1.79 -0.57 0.00 0.00 179.45 180.59 1smy h THR 1491N -0.54 1.26 -0.47 -0.16 1.35 -1.44 -2.85 112.91 110.06 1smy h THR 1491Ca -0.01 -1.24 0.06 0.00 -0.55 0.00 0.00 66.41 64.66 1smy h THR 1491Cb 0.45 1.67 -0.05 0.00 -1.73 0.00 0.00 68.15 68.49 1smy h THR 1491CO 0.02 0.36 0.19 0.25 -0.25 0.00 0.00 175.52 176.08 1smy h LEU 1492N 0.01 0.22 -0.53 3.87 7.12 -0.98 -1.77 115.31 123.23 1smy h LEU 1492Ca -0.00 0.05 -0.14 0.00 0.13 0.00 0.00 57.88 57.92 1smy h LEU 1492Cb 0.64 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 1smy h LEU 1492CO 0.05 0.16 -0.30 0.11 -0.13 0.00 0.00 178.44 178.33 1smy h LYS 1493N 0.37 0.87 -0.57 1.25 1.79 -1.43 -3.13 116.57 115.72 1smy h LYS 1493Ca 0.22 -0.40 0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1smy h LYS 1493Cb 0.20 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.77 1smy h LYS 1493CO -0.21 1.05 0.19 0.00 -1.08 0.00 0.00 179.45 179.40 1smy h ALA 1494N 0.92 0.71 -0.02 3.86 0.00 -1.12 -1.44 119.26 122.17 1smy h ALA 1494Ca 0.08 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1smy h ALA 1494Cb 0.85 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1smy h ALA 1494CO 0.08 -0.23 -0.80 0.97 0.00 0.00 0.00 179.25 179.27 1smy h ILE 1495N 0.35 1.45 -0.04 0.00 6.09 -1.39 -2.52 117.51 121.46 1smy h ILE 1495Ca 0.29 -2.40 -0.04 0.00 -1.37 0.00 0.00 64.86 61.33 1smy h ILE 1495Cb 0.36 2.31 -0.01 0.00 0.47 0.00 0.00 36.82 39.96 1smy h ILE 1495CO -0.31 0.71 -0.17 -0.08 -3.07 0.00 0.00 178.15 175.22 1smy h GLU 1496N 0.15 0.06 0.00 2.19 4.57 -1.41 0.17 114.58 120.31 1smy h GLU 1496Ca -0.04 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 1smy h GLU 1496Cb 1.39 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 1smy h GLU 1496CO 0.13 0.23 -0.39 0.93 -1.18 0.00 0.00 179.01 178.72 1smy h GLU 1497N 0.05 0.00 -0.04 1.92 4.39 -0.94 0.18 114.58 120.15 1smy h GLU 1497Ca 0.01 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1smy h GLU 1497Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1smy h GLU 1497CO 0.02 0.39 -0.47 0.00 -1.16 0.00 0.00 179.01 177.80 1smy h ALA 1498N 1.61 1.15 0.09 3.43 0.00 -0.57 -2.54 119.26 122.43 1smy h ALA 1498Ca -0.00 -0.44 -0.27 0.00 0.00 0.00 0.00 54.91 54.20 1smy h ALA 1498Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1smy h ALA 1498CO 0.05 0.61 -1.31 0.00 0.00 0.00 0.00 179.25 178.59 1smy h ARG 1499N 0.07 0.18 -0.22 0.00 3.08 -0.68 -3.29 114.38 113.53 1smy h ARG 1499Ca 0.00 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 1smy h ARG 1499Cb 0.86 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1smy h ARG 1499CO 0.06 1.08 0.06 0.87 -1.07 0.00 0.00 179.97 180.97 1smy h LYS 1500N 0.05 0.30 0.00 0.04 1.57 -0.46 -1.13 116.57 116.95 1smy h LYS 1500Ca -0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1smy h LYS 1500Cb 1.94 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1smy h LYS 1500CO 0.16 0.28 0.00 0.93 -0.57 0.00 0.00 179.45 180.26 1smy h GLU 1501N 0.31 0.00 0.00 3.15 5.08 -1.52 -3.06 114.58 118.53 1smy h GLU 1501Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1smy h GLU 1501Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1smy h GLU 1501CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1smy h ALA 1502N 2.02 1.00 -1.85 3.43 0.00 -1.30 -3.41 119.26 119.17 1smy h ALA 1502Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1smy h ALA 1502Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1smy h ALA 1502CO 0.00 0.00 1.28 0.08 0.00 0.00 0.00 179.25 180.61 1smy s VAL 1503N -4.07 3.47 -0.00 0.00 1.01 -1.16 -4.95 120.40 114.70 1smy s VAL 1503Ca -0.04 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 1smy s VAL 1503Cb 0.12 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1smy s VAL 1503CO 0.43 -0.44 0.96 -1.61 0.00 0.00 0.00 175.10 174.44 1smy s GLU 1504N 5.74 4.55 0.00 2.72 2.02 -1.26 -5.13 118.70 127.34 1smy s GLU 1504Ca 0.79 1.38 0.00 0.00 0.02 0.00 0.00 54.97 57.16 1smy s GLU 1504Cb -0.22 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.55 1smy s GLU 1504CO 0.33 -0.04 0.00 0.00 0.02 0.00 0.00 175.26 175.57