#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 3.44 0.15 1.64 -0.14 -1.26 -5.05 119.74 118.51 1smy s LYS 3 Ca 0.00 -0.23 -0.31 0.00 -1.36 0.00 0.00 55.97 54.07 1smy s LYS 3 Cb 0.00 -3.14 -0.10 0.00 -1.68 0.00 0.00 37.83 32.91 1smy s LYS 3 CO 0.00 0.73 1.69 -2.00 -0.76 0.00 0.00 175.35 175.00 1smy s GLU 4 N -1.50 4.17 -0.25 1.68 2.12 -1.26 -4.92 118.70 118.74 1smy s GLU 4 Ca 0.21 2.48 -0.29 0.00 0.36 0.00 0.00 54.97 57.73 1smy s GLU 4 Cb -0.12 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1smy s GLU 4 CO 0.12 -0.73 1.61 0.08 -0.54 0.00 0.00 175.26 175.79 1smy s VAL 5 N 1.84 3.71 -0.07 3.70 1.01 -1.26 -4.82 120.40 124.51 1smy s VAL 5 Ca 0.75 0.79 0.02 0.00 0.00 0.00 0.00 61.98 63.53 1smy s VAL 5 Cb -0.45 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1smy s VAL 5 CO 0.33 -0.35 0.07 0.54 0.00 0.00 0.00 175.10 175.70 1smy n ARG 6 N 7.75 4.21 -3.76 2.72 1.74 -1.26 -5.03 116.66 123.02 1smy n ARG 6 Ca 0.19 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 57.13 1smy n ARG 6 Cb 0.46 -0.75 -0.13 0.00 -1.02 0.00 0.00 32.46 31.01 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 -1.52 0.17 0.05 5.56 1.02 -1.26 -3.55 119.74 120.21 1smy s LYS 7 Ca 0.00 0.39 0.09 0.00 0.02 0.00 0.00 55.97 56.47 1smy s LYS 7 Cb 0.01 -0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 1smy s LYS 7 CO 0.09 -0.12 -0.25 0.08 -0.92 0.00 0.00 175.35 174.23 1smy s VAL 8 N 0.84 2.27 -0.08 3.17 1.01 -1.24 -4.92 120.40 121.44 1smy s VAL 8 Ca -0.06 -1.38 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 1smy s VAL 8 Cb -0.08 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1smy s VAL 8 CO -0.05 0.35 0.19 -0.60 0.00 0.00 0.00 175.10 174.99 1smy s ARG 9 N -1.32 0.18 -0.03 2.72 3.52 -1.25 0.14 118.95 122.91 1smy s ARG 9 Ca 0.12 0.35 -0.14 0.00 -0.13 0.00 0.00 55.73 55.93 1smy s ARG 9 Cb -0.10 -0.02 -0.05 0.00 -1.56 0.00 0.00 34.95 33.22 1smy s ARG 9 CO 0.03 -0.09 0.38 0.42 -0.81 0.00 0.00 175.30 175.22 1smy s ILE 10 N 0.63 5.11 0.13 4.11 1.01 -1.08 -4.94 121.20 126.17 1smy s ILE 10 Ca -0.04 0.76 -0.06 0.00 0.00 0.00 0.00 60.65 61.30 1smy s ILE 10 Cb -0.06 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1smy s ILE 10 CO -0.03 0.56 0.18 0.00 0.00 0.00 0.00 174.94 175.65 1smy s ALA 11 N -0.86 0.21 0.74 9.38 0.00 -1.26 -3.05 121.76 126.92 1smy s ALA 11 Ca 0.22 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1smy s ALA 11 Cb -0.16 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.74 1smy s ALA 11 CO 0.12 -0.56 1.08 -1.17 0.00 0.00 0.00 175.76 175.23 1smy s LEU 12 N -2.96 2.85 -0.33 0.00 0.20 -1.26 -4.90 118.68 112.28 1smy s LEU 12 Ca 0.16 1.37 -0.13 0.00 0.69 0.00 0.00 54.13 56.21 1smy s LEU 12 Cb 0.05 -4.12 -0.02 0.00 -0.43 0.00 0.00 46.19 41.67 1smy s LEU 12 CO -0.03 -1.63 0.27 0.00 -0.29 0.00 0.00 176.35 174.67 1smy s ALA 13 N -3.16 3.51 0.21 5.97 0.00 -1.26 -5.04 121.76 121.99 1smy s ALA 13 Ca 0.59 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 1smy s ALA 13 Cb -0.13 -2.68 -0.08 0.00 0.00 0.00 0.00 23.12 20.22 1smy s ALA 13 CO 0.54 -0.92 1.09 -1.54 0.00 0.00 0.00 175.76 174.93 1smy s SER 14 N 1.73 7.29 0.43 0.00 1.04 -1.26 -4.74 113.70 118.19 1smy s SER 14 Ca 0.08 2.13 0.19 0.00 0.48 0.00 0.00 55.95 58.84 1smy s SER 14 Cb -0.17 -2.61 1.13 0.00 0.10 0.00 0.00 66.02 64.47 1smy s SER 14 CO 0.11 -0.17 1.84 -0.65 0.98 0.00 0.00 173.24 175.35 1smy h PRO 15 N 4.67 0.35 -0.55 4.02 0.11 -1.89 0.62 132.00 139.33 1smy h PRO 15 Ca -0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1smy h PRO 15 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1smy h PRO 15 CO 0.71 0.23 -0.00 1.05 -0.21 0.00 0.00 178.00 179.77 1smy h GLU 16 N 0.36 0.94 -0.83 1.05 -0.00 -1.98 -2.55 114.58 111.57 1smy h GLU 16 Ca 0.49 -0.28 -0.02 0.00 -0.00 0.00 0.00 59.36 59.55 1smy h GLU 16 Cb 1.30 -0.10 -0.04 0.00 -0.00 0.00 0.00 28.75 29.91 1smy h GLU 16 CO -0.18 0.94 0.44 -0.22 -0.00 0.00 0.00 179.01 179.99 1smy h LYS 17 N 0.87 1.17 -0.80 1.06 3.64 -0.18 0.13 116.57 122.46 1smy h LYS 17 Ca 0.16 -0.15 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1smy h LYS 17 Cb 0.52 -0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.01 1smy h LYS 17 CO 0.03 0.87 0.35 0.82 -2.27 0.00 0.00 179.45 179.25 1smy h ILE 18 N 1.17 0.65 -0.03 2.00 1.08 -0.80 -0.70 117.51 120.88 1smy h ILE 18 Ca 0.29 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.59 1smy h ILE 18 Cb 0.05 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 33.92 1smy h ILE 18 CO -0.04 0.09 -0.00 0.03 -0.69 0.00 0.00 178.15 177.53 1smy h ARG 19 N 0.49 0.05 -0.51 2.37 -0.00 -0.86 -2.43 114.38 113.49 1smy h ARG 19 Ca 0.45 -0.02 0.13 0.00 -0.50 0.00 0.00 59.98 60.04 1smy h ARG 19 Cb 0.69 -0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.63 1smy h ARG 19 CO -0.41 0.35 0.36 1.03 0.00 0.00 0.00 179.97 181.29 1smy h SER 20 N -0.25 0.11 0.10 7.04 0.87 0.40 -2.06 113.55 119.76 1smy h SER 20 Ca 0.01 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.37 1smy h SER 20 Cb 0.32 -0.02 0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1smy h SER 20 CO 0.00 0.06 -0.86 -0.50 -0.53 0.00 0.00 176.83 175.01 1smy h TRP 21 N 0.12 0.68 -3.84 2.24 6.55 -1.07 -3.47 115.95 117.16 1smy h TRP 21 Ca 0.24 -0.44 -0.45 0.00 0.95 0.00 0.00 58.89 59.19 1smy h TRP 21 Cb 0.79 -0.05 0.16 0.00 -0.86 0.00 0.00 29.16 29.20 1smy h TRP 21 CO -0.00 1.30 0.18 0.45 -1.05 0.00 0.00 178.44 179.33 1smy s SER 22 N -7.02 2.42 -0.03 -3.49 0.15 -0.77 -4.53 113.70 100.43 1smy s SER 22 Ca -0.12 1.12 -0.00 0.00 0.70 0.00 0.00 55.95 57.64 1smy s SER 22 Cb 0.03 -1.76 0.03 0.00 -1.71 0.00 0.00 66.02 62.61 1smy s SER 22 CO 0.85 -3.25 0.03 -0.31 1.20 0.00 0.00 173.24 171.77 1smy s TYR 23 N -2.98 0.08 0.53 3.44 1.51 -0.70 -4.96 117.35 114.27 1smy s TYR 23 Ca 0.66 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.86 1smy s TYR 23 Cb -0.18 -0.33 0.00 0.00 -0.11 0.00 0.00 41.96 41.34 1smy s TYR 23 CO 0.57 -0.12 0.00 0.41 -1.11 0.00 0.00 175.55 175.30 1smy n GLY 24 N 4.47 -2.84 2.94 0.71 0.00 -1.26 -4.47 105.19 104.73 1smy n GLY 24 Ca -0.21 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.64 1.48 -0.50 1.61 -6.30 -1.26 -3.59 118.70 106.50 1smy s GLU 25 Ca 0.00 -1.27 -0.26 0.00 -2.50 0.00 0.00 54.97 50.94 1smy s GLU 25 Cb 0.00 -2.67 -0.06 0.00 0.00 0.00 0.00 34.13 31.39 1smy s GLU 25 CO 0.00 -0.75 2.32 0.08 0.02 0.00 0.00 175.26 176.93 1smy s VAL 26 N 1.28 3.06 -2.28 3.70 1.01 -1.20 -4.76 120.40 121.20 1smy s VAL 26 Ca 0.01 0.04 0.20 0.00 0.00 0.00 0.00 61.98 62.22 1smy s VAL 26 Cb -0.19 -3.15 0.26 0.00 0.00 0.00 0.00 36.38 33.30 1smy s VAL 26 CO -0.10 -0.14 1.21 -1.84 0.00 0.00 0.00 175.10 174.23 1smy n GLU 27 N 9.02 2.02 -3.87 2.72 0.28 -1.26 -4.73 120.64 124.83 1smy n GLU 27 Ca 0.34 -1.89 -0.12 0.00 -0.16 0.00 0.00 57.16 55.33 1smy n GLU 27 Cb 0.54 -1.41 -0.12 0.00 1.43 0.00 0.00 31.44 31.88 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 -1.49 0.23 0.00 3.44 1.02 -1.26 -4.94 119.74 116.73 1smy s LYS 28 Ca 0.28 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1smy s LYS 28 Cb 0.18 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1smy s LYS 28 CO 0.26 -0.04 1.16 -2.30 -0.92 0.00 0.00 175.35 173.50 1smy n PRO 29 N 2.46 0.60 -3.47 -1.68 -0.02 -1.26 -3.58 135.00 128.05 1smy n PRO 29 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.89 1smy n PRO 29 Cb 0.58 -1.20 -0.09 0.00 -0.02 0.00 0.00 33.50 32.77 1smy n PRO 29 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1smy s GLU 30 N 0.78 2.87 0.00 -0.52 0.41 -1.26 -4.94 118.70 116.03 1smy s GLU 30 Ca 0.00 -1.31 0.00 0.00 -0.41 0.00 0.00 54.97 53.25 1smy s GLU 30 Cb 0.00 -3.99 0.00 0.00 -1.78 0.00 0.00 34.13 28.36 1smy s GLU 30 CO 0.00 -0.95 0.00 2.41 -0.49 0.00 0.00 175.26 176.23 1smy n THR 31 N 5.11 0.00 -3.73 3.63 -1.04 -1.26 -2.90 114.28 114.09 1smy n THR 31 Ca -0.12 0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.79 1smy n THR 31 Cb 0.44 -0.13 -0.15 0.00 -1.82 0.00 0.00 70.33 68.66 1smy n THR 31 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1smy s ILE 32 N 0.00 -0.10 -0.33 12.58 1.01 -1.26 -1.24 121.20 131.85 1smy s ILE 32 Ca 0.00 0.25 -0.23 0.00 0.00 0.00 0.00 60.65 60.67 1smy s ILE 32 Cb 0.00 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.26 1smy s ILE 32 CO 0.00 0.10 0.77 0.21 0.00 0.00 0.00 174.94 176.02 1smy s ASN 33 N 1.49 6.60 0.18 3.58 2.47 -1.25 -4.94 114.94 123.08 1smy s ASN 33 Ca -0.05 0.52 -0.12 0.00 0.42 0.00 0.00 52.86 53.64 1smy s ASN 33 Cb -0.12 -2.40 0.22 0.00 -1.45 0.00 0.00 41.25 37.50 1smy s ASN 33 CO -0.05 -0.65 1.17 0.00 -3.72 0.00 0.00 177.10 173.85 1smy n TYR 34 N 6.25 0.07 -0.29 0.43 -0.00 -1.26 -1.98 117.16 120.39 1smy n TYR 34 Ca 0.03 0.93 -0.06 0.00 -0.00 0.00 0.00 57.90 58.80 1smy n TYR 34 Cb 0.48 -0.81 -0.04 0.00 -0.00 0.00 0.00 39.34 38.97 1smy n TYR 34 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1smy n ARG 35 N -5.13 -0.27 -4.34 -3.48 0.63 -1.26 -3.66 116.66 99.15 1smy n ARG 35 Ca 0.09 1.08 -0.33 0.00 -0.92 0.00 0.00 57.85 57.77 1smy n ARG 35 Cb 0.32 -1.59 -0.16 0.00 0.45 0.00 0.00 32.46 31.47 1smy n ARG 35 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1smy s THR 36 N -5.44 2.09 -1.03 5.15 2.01 -0.84 -4.97 115.64 112.62 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 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.75 1smy s THR 36 CO 0.46 0.54 0.10 0.18 -0.69 0.00 0.00 174.62 175.21 1smy n LEU 37 N 4.40 0.19 -4.88 4.42 4.77 -1.24 -4.18 117.00 120.48 1smy n LEU 37 Ca -0.21 -0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.38 1smy n LEU 37 Cb 0.51 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1smy n LEU 37 CO 0.26 0.05 0.45 -0.54 -1.33 0.00 0.00 177.39 176.28 1smy s LYS 38 N -1.03 3.74 0.56 3.23 1.02 -1.26 -4.92 119.74 121.07 1smy s LYS 38 Ca 0.00 0.43 -0.20 0.00 0.02 0.00 0.00 55.97 56.22 1smy s LYS 38 Cb 0.00 -2.38 -0.07 0.00 -0.52 0.00 0.00 37.83 34.86 1smy s LYS 38 CO 0.00 -0.07 0.91 -2.30 -0.92 0.00 0.00 175.35 172.97 1smy n PRO 39 N -1.48 0.95 0.00 -1.68 -0.02 -1.26 -3.76 135.00 127.76 1smy n PRO 39 Ca 0.02 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1smy n PRO 39 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.62 0.00 0.00 -0.52 4.07 -0.38 -4.83 120.64 118.37 1smy n GLU 40 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1smy n GLU 40 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 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 0.81 0.00 5.31 1.85 -1.26 -4.77 116.66 118.59 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 -4.02 2.89 8.00 -1.26 -4.67 116.55 117.49 1smy n ASP 42 Ca 0.00 -0.01 -0.38 0.00 0.71 0.00 0.00 54.79 55.11 1smy n ASP 42 Cb 0.00 -0.20 0.04 0.00 -0.02 0.00 0.00 41.12 40.95 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 -3.25 0.26 0.44 0.00 -1.26 -4.36 105.19 96.66 1smy n GLY 43 Ca 0.06 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 3.11 -0.23 -4.65 0.99 4.77 -1.14 -3.37 117.00 116.47 1smy n LEU 44 Ca -0.02 1.27 -0.38 0.00 -0.03 0.00 0.00 56.01 56.85 1smy n LEU 44 Cb 0.71 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1smy n LEU 44 CO 0.45 -1.23 0.06 -0.36 -1.33 0.00 0.00 177.39 174.99 1smy s PHE 45 N -5.88 3.33 -0.30 -1.77 0.08 -1.25 -4.91 117.98 107.28 1smy s PHE 45 Ca -0.11 0.52 -0.15 0.00 0.12 0.00 0.00 56.93 57.31 1smy s PHE 45 Cb 0.20 -2.51 0.17 0.00 -0.57 0.00 0.00 43.02 40.31 1smy s PHE 45 CO 0.58 -0.06 1.02 0.34 -0.10 0.00 0.00 175.22 177.00 1smy s ASP 46 N 1.21 -0.52 0.22 1.36 -1.08 -1.22 -3.57 116.67 113.07 1smy s ASP 46 Ca 0.17 0.66 -0.19 0.00 -0.52 0.00 0.00 52.55 52.67 1smy s ASP 46 Cb -0.15 1.57 0.21 0.00 -1.46 0.00 0.00 42.92 43.09 1smy s ASP 46 CO 0.08 -0.10 1.56 1.05 0.52 0.00 0.00 175.17 178.28 1smy h GLU 47 N 7.51 -0.03 0.31 4.34 9.09 -1.90 0.13 114.58 134.02 1smy h GLU 47 Ca -0.15 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.25 1smy h GLU 47 Cb 1.12 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.22 1smy h GLU 47 CO 0.06 -0.02 -0.25 -0.09 0.05 0.00 0.00 179.01 178.76 1smy h ARG 48 N -0.03 -0.52 -0.94 1.06 2.43 -1.80 0.73 114.38 115.31 1smy h ARG 48 Ca 0.32 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 59.71 1smy h ARG 48 Cb 0.58 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.17 1smy h ARG 48 CO -0.93 -0.35 0.60 0.82 -1.51 0.00 0.00 179.97 178.60 1smy h ILE 49 N -0.54 0.72 0.00 1.20 2.04 -1.74 -3.31 117.51 115.88 1smy h ILE 49 Ca -0.04 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1smy h ILE 49 Cb 0.46 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1smy h ILE 49 CO 0.00 0.11 -0.47 0.49 0.00 0.00 0.00 178.15 178.29 1smy n PHE 50 N -4.59 0.00 0.00 1.37 3.01 0.40 -4.56 117.46 113.08 1smy n PHE 50 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.66 1smy n PHE 50 Cb 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 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 3.23 2.82 1.37 0.00 0.25 -3.81 105.19 110.55 1smy n GLY 51 Ca 0.00 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 1smy n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1smy n PRO 52 N -1.52 -4.41 0.00 1.61 -0.04 -1.26 -3.99 135.00 125.38 1smy n PRO 52 Ca 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1smy n PRO 52 Cb 0.00 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 1smy n PRO 52 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1smy n ILE 53 N -5.47 0.00 -1.74 0.52 0.13 -1.26 -4.65 119.36 106.90 1smy n ILE 53 Ca 0.12 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.64 1smy n ILE 53 Cb 0.52 -0.45 0.09 0.00 -0.84 0.00 0.00 39.64 38.96 1smy n ILE 53 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1smy n LYS 54 N -2.36 -0.36 0.00 9.51 5.02 -1.26 -4.57 118.16 124.14 1smy n LYS 54 Ca 0.00 -1.09 0.00 0.00 -2.02 0.00 0.00 58.31 55.20 1smy n LYS 54 Cb 0.42 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 1smy n LYS 54 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1smy n ASP 55 N -3.28 0.00 -0.74 4.39 9.92 -1.26 -3.61 116.55 121.98 1smy n ASP 55 Ca 0.08 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.44 1smy n ASP 55 Cb 0.28 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.83 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 -2.34 1.24 4.02 -1.26 -2.64 117.16 116.17 1smy n TYR 56 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 1smy n TYR 56 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.37 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 -1.70 2.39 0.57 -0.72 2.02 -1.26 -4.44 118.70 115.57 1smy s GLU 57 Ca 0.22 -0.34 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 1smy s GLU 57 Cb 0.16 -2.26 0.11 0.00 0.10 0.00 0.00 34.13 32.24 1smy s GLU 57 CO 0.28 -1.02 0.78 0.00 0.02 0.00 0.00 175.26 175.31 1smy h ALA 59 N -0.62 -0.06 0.12 0.00 0.00 -1.95 -3.38 119.26 113.37 1smy h ALA 59 Ca -0.26 -0.65 -0.35 0.00 0.00 0.00 0.00 54.91 53.66 1smy h ALA 59 Cb 0.94 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1smy h ALA 59 CO 0.27 0.31 -1.86 0.00 0.00 0.00 0.00 179.25 177.98 1smy n GLY 61 N 1.88 1.06 0.35 0.00 0.00 -1.26 -5.00 105.19 102.22 1smy n GLY 61 Ca -0.27 0.00 0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 1.72 0.00 -3.85 1.61 1.79 -1.95 -3.40 116.57 112.49 1smy h LYS 62 Ca 0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 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 -0.72 0.71 -1.08 0.00 0.00 179.45 178.36 1smy s TYR 63 N -4.66 0.10 0.00 -1.35 1.51 -1.26 -5.08 117.35 106.61 1smy s TYR 63 Ca -0.05 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 55.95 1smy s TYR 63 Cb 0.16 -0.07 0.00 0.00 -0.11 0.00 0.00 41.96 41.94 1smy s TYR 63 CO 0.56 -0.02 0.07 1.63 -1.11 0.00 0.00 175.55 176.69 1smy n LYS 64 N 2.92 0.00 -3.64 -0.62 5.02 -1.26 -3.03 118.16 117.56 1smy n LYS 64 Ca -0.13 -0.07 -0.20 0.00 -2.02 0.00 0.00 58.31 55.89 1smy n LYS 64 Cb 0.59 -0.37 -0.04 0.00 -0.02 0.00 0.00 35.03 35.19 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 1.25 -0.20 1.97 3.00 -1.26 -4.19 116.66 117.23 1smy n ARG 65 Ca 0.00 -2.26 -0.10 0.00 -0.00 0.00 0.00 57.85 55.49 1smy n ARG 65 Cb 0.30 0.60 0.02 0.00 0.00 0.00 0.00 32.46 33.38 1smy n ARG 65 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1smy h GLN 66 N 0.00 1.03 -0.79 -0.14 4.15 -1.99 -3.30 115.11 114.07 1smy h GLN 66 Ca -0.26 -0.36 0.12 0.00 0.77 0.00 0.00 58.65 58.93 1smy h GLN 66 Cb 0.78 -0.08 -0.13 0.00 0.21 0.00 0.00 27.48 28.26 1smy h GLN 66 CO 0.43 1.05 -0.31 0.54 -1.93 0.00 0.00 178.83 178.61 1smy n ARG 67 N -4.18 -0.18 -2.37 1.69 3.00 -1.26 -0.47 116.66 112.89 1smy n ARG 67 Ca 0.02 1.21 -0.42 0.00 -0.01 0.00 0.00 57.85 58.65 1smy n ARG 67 Cb 0.37 -1.80 0.00 0.00 0.00 0.00 0.00 32.46 31.04 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 -5.16 2.76 -0.07 -1.55 3.01 -1.24 -4.77 117.46 110.44 1smy n PHE 68 Ca 0.08 -2.75 -0.13 0.00 1.01 0.00 0.00 57.45 55.65 1smy n PHE 68 Cb 0.32 -1.82 -0.01 0.00 -0.01 0.00 0.00 39.48 37.96 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 5.46 0.81 -0.02 -1.08 4.22 -1.00 -3.37 114.58 119.60 1smy h GLU 69 Ca 0.43 -0.49 -0.09 0.00 0.08 0.00 0.00 59.36 59.29 1smy h GLU 69 Cb 0.56 0.05 -0.17 0.00 0.50 0.00 0.00 28.75 29.69 1smy h GLU 69 CO 1.56 1.13 -0.73 0.41 -2.18 0.00 0.00 179.01 179.19 1smy n GLY 70 N 0.28 3.49 3.42 1.92 0.00 -1.26 -4.11 105.19 108.93 1smy n GLY 70 Ca -0.04 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.97 1.77 0.21 1.61 3.01 -1.26 -5.01 119.74 118.10 1smy s LYS 71 Ca 0.37 -1.15 -0.05 0.00 -1.01 0.00 0.00 55.97 54.13 1smy s LYS 71 Cb 0.38 -2.05 -0.05 0.00 -1.01 0.00 0.00 37.83 35.09 1smy s LYS 71 CO -0.11 0.50 0.46 0.54 0.51 0.00 0.00 175.35 177.25 1smy s VAL 72 N -0.99 5.10 0.51 3.17 0.11 -1.26 -4.65 120.40 122.39 1smy s VAL 72 Ca 0.15 0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 59.00 1smy s VAL 72 Cb -0.10 -3.68 -0.06 0.00 -1.53 0.00 0.00 36.38 31.00 1smy s VAL 72 CO 0.06 -0.14 1.17 0.00 -3.33 0.00 0.00 175.10 172.86 1smy h GLU 74 N 1.55 -0.69 -0.00 0.00 5.08 -1.99 -3.34 114.58 115.19 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 1.26 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1smy h GLU 74 CO 0.58 -0.46 -0.18 0.54 -1.00 0.00 0.00 179.01 178.50 1smy n ARG 75 N -5.02 0.14 -3.67 2.33 3.00 -1.26 -4.85 116.66 107.33 1smy n ARG 75 Ca -0.09 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.85 57.57 1smy n ARG 75 Cb 0.28 -1.50 -0.08 0.00 0.00 0.00 0.00 32.46 31.16 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 -0.01 1.75 -0.33 0.00 0.00 -1.26 -3.74 107.32 103.73 1smy s GLY 77 Ca -0.02 -0.54 0.05 0.00 0.00 0.00 0.00 44.72 44.20 1smy s GLY 77 CO 0.02 1.59 0.51 0.14 0.00 0.00 0.00 173.10 175.36 1smy s VAL 78 N 2.76 -0.80 0.80 1.40 1.01 -1.26 -3.27 120.40 121.04 1smy s VAL 78 Ca 0.28 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1smy s VAL 78 Cb -0.15 -0.73 0.07 0.00 0.00 0.00 0.00 36.38 35.57 1smy s VAL 78 CO 0.12 -0.17 1.17 -0.70 0.00 0.00 0.00 175.10 175.52 1smy s GLU 79 N 2.35 2.08 -0.14 2.72 2.12 -1.26 -4.21 118.70 122.35 1smy s GLU 79 Ca 0.12 0.17 -0.29 0.00 0.36 0.00 0.00 54.97 55.34 1smy s GLU 79 Cb -0.10 -1.96 0.08 0.00 0.26 0.00 0.00 34.13 32.41 1smy s GLU 79 CO -0.20 -1.53 0.76 0.54 -0.54 0.00 0.00 175.26 174.29 1smy s VAL 80 N -3.53 0.00 -0.12 3.70 0.11 -1.26 -4.05 120.40 115.25 1smy s VAL 80 Ca 0.61 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.37 1smy s VAL 80 Cb -0.11 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.83 1smy s VAL 80 CO 0.50 0.00 0.80 -0.89 -3.33 0.00 0.00 175.10 172.18 1smy s THR 81 N -0.65 0.00 1.03 5.04 2.01 -1.26 -4.72 115.64 117.09 1smy s THR 81 Ca -0.06 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.73 1smy s THR 81 Cb -0.02 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.42 1smy s THR 81 CO 0.05 0.00 -0.69 0.29 -0.69 0.00 0.00 174.62 173.58 1smy n LYS 82 N 1.10 -0.52 -0.25 4.92 5.02 -1.08 -4.50 118.16 122.85 1smy n LYS 82 Ca -0.16 -0.14 0.21 0.00 -2.02 0.00 0.00 58.31 56.20 1smy n LYS 82 Cb 0.57 -1.32 0.34 0.00 -0.02 0.00 0.00 35.03 34.60 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 1.31 0.08 -0.25 4.39 7.64 -1.24 -1.85 113.62 123.70 1smy n SER 83 Ca -0.00 0.63 0.05 0.00 1.01 0.00 0.00 58.87 60.56 1smy n SER 83 Cb 0.65 -0.31 0.16 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.40 -0.41 0.44 3.07 -1.94 0.10 117.51 119.17 1smy h ILE 84 Ca 0.43 -0.05 0.03 0.00 1.55 0.00 0.00 64.86 66.82 1smy h ILE 84 Cb 1.46 0.25 -0.02 0.00 -0.27 0.00 0.00 36.82 38.24 1smy h ILE 84 CO -0.18 0.03 0.28 0.58 -1.05 0.00 0.00 178.15 177.80 1smy h VAL 85 N 0.14 1.04 0.00 0.16 2.07 -1.60 0.27 116.25 118.33 1smy h VAL 85 Ca 0.40 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1smy h VAL 85 Cb 0.70 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1smy h VAL 85 CO -0.61 0.08 0.00 -0.09 0.02 0.00 0.00 177.57 176.97 1smy h ARG 86 N 0.46 0.00 0.00 1.57 2.43 -0.89 -2.77 114.38 115.18 1smy h ARG 86 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1smy h ARG 86 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1smy h ARG 86 CO -0.04 0.00 0.00 -2.13 -1.51 0.00 0.00 179.97 176.29 1smy n ARG 87 N -3.06 0.00 0.20 0.20 0.63 0.92 -3.77 116.66 111.78 1smy n ARG 87 Ca -0.02 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1smy n ARG 87 Cb 0.12 -0.53 0.00 0.00 0.45 0.00 0.00 32.46 32.50 1smy n ARG 87 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1smy n TYR 88 N -0.56 0.00 -2.87 -0.14 0.53 -1.14 -4.22 117.16 108.76 1smy n TYR 88 Ca 0.00 0.00 -0.28 0.00 -1.02 0.00 0.00 57.90 56.60 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 -3.10 3.62 0.04 -0.72 0.52 -1.05 -4.95 118.95 113.31 1smy s ARG 89 Ca 0.00 0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.45 1smy s ARG 89 Cb 0.00 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 1smy s ARG 89 CO 0.00 -0.06 -0.13 -1.64 0.02 0.00 0.00 175.30 173.49 1smy s MET 90 N -4.27 0.82 0.55 3.54 -1.94 -1.26 -3.66 119.30 113.08 1smy s MET 90 Ca 0.47 -0.74 0.04 0.00 -1.71 0.00 0.00 55.69 53.75 1smy s MET 90 Cb -0.10 -0.80 0.03 0.00 2.01 0.00 0.00 34.83 35.97 1smy s MET 90 CO 0.38 0.19 0.33 0.20 -0.01 0.00 0.00 175.02 176.11 1smy s GLY 91 N -1.20 2.53 -0.04 -0.03 0.00 -1.00 -1.72 107.32 105.85 1smy s GLY 91 Ca -0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 44.72 43.65 1smy s GLY 91 CO 0.01 -2.01 0.21 -2.38 0.00 0.00 0.00 173.10 168.93 1smy s HIS 92 N -2.82 -0.13 -0.16 1.90 -3.43 -1.24 0.13 115.29 109.56 1smy s HIS 92 Ca 0.27 0.26 -0.06 0.00 -0.80 0.00 0.00 55.06 54.73 1smy s HIS 92 Cb -0.02 0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 31.13 1smy s HIS 92 CO 0.17 -0.23 0.05 0.42 -2.00 0.00 0.00 174.74 173.14 1smy s ILE 93 N -0.71 4.69 -0.54 -5.38 1.01 0.52 -3.26 121.20 117.52 1smy s ILE 93 Ca -0.08 -0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 1smy s ILE 93 Cb -0.05 -3.08 0.05 0.00 0.01 0.00 0.00 42.46 39.40 1smy s ILE 93 CO 0.01 0.50 0.83 -0.70 0.00 0.00 0.00 174.94 175.58 1smy s GLU 94 N 0.03 3.23 0.48 2.79 2.56 -1.26 -2.09 118.70 124.44 1smy s GLU 94 Ca 0.05 -0.55 -0.23 0.00 0.00 0.00 0.00 54.97 54.24 1smy s GLU 94 Cb -0.12 -4.09 -0.07 0.00 2.00 0.00 0.00 34.13 31.85 1smy s GLU 94 CO 0.01 -1.42 1.23 -0.51 -0.56 0.00 0.00 175.26 174.01 1smy s LEU 95 N 3.46 3.99 0.00 2.70 1.43 -0.70 -4.99 118.68 124.56 1smy s LEU 95 Ca 0.24 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1smy s LEU 95 Cb -0.15 -4.22 0.00 0.00 0.03 0.00 0.00 46.19 41.85 1smy s LEU 95 CO 0.16 -1.09 0.46 0.00 0.23 0.00 0.00 176.35 176.11 1smy n ALA 96 N -0.57 -0.15 -3.85 4.21 0.00 -1.26 -4.74 120.51 114.14 1smy n ALA 96 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 1smy n ALA 96 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.41 2.60 0.06 0.00 2.01 -1.26 -5.08 115.64 112.55 1smy s THR 97 Ca 0.00 -1.27 -0.06 0.00 0.31 0.00 0.00 61.69 60.67 1smy s THR 97 Cb 0.00 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1smy s THR 97 CO 0.00 0.11 0.09 -2.65 -0.69 0.00 0.00 174.62 171.48 1smy n PRO 98 N 4.58 0.00 -4.30 4.92 -0.02 -1.26 -4.90 135.00 134.03 1smy n PRO 98 Ca -0.16 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.16 1smy n PRO 98 Cb 0.45 -0.23 -0.10 0.00 -0.02 0.00 0.00 33.50 33.60 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 -0.28 1.70 0.14 3.55 0.00 -0.31 -4.07 121.76 122.50 1smy s ALA 99 Ca 0.15 -1.61 0.10 0.00 0.00 0.00 0.00 51.96 50.60 1smy s ALA 99 Cb -0.20 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1smy s ALA 99 CO 0.14 -0.09 -0.21 0.00 0.00 0.00 0.00 175.76 175.59 1smy s ALA 100 N -3.25 2.58 -0.12 0.00 0.00 -1.26 -1.57 121.76 118.14 1smy s ALA 100 Ca 0.21 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 1smy s ALA 100 Cb 0.03 -0.50 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 1smy s ALA 100 CO 0.04 0.53 2.12 1.58 0.00 0.00 0.00 175.76 180.02 1smy n HIS 101 N 0.64 2.18 -0.34 0.00 -0.00 -1.25 -4.79 115.22 111.66 1smy n HIS 101 Ca -0.15 -0.21 0.08 0.00 0.46 0.00 0.00 57.72 57.90 1smy n HIS 101 Cb 0.54 -2.75 0.28 0.00 -0.12 0.00 0.00 29.99 27.93 1smy n HIS 101 CO 0.00 0.00 0.00 0.97 0.46 0.00 0.00 176.34 177.77 1smy h ILE 102 N 6.49 0.90 -1.03 3.57 2.10 -1.91 -2.63 117.51 125.00 1smy h ILE 102 Ca -0.44 -0.32 0.31 0.00 1.08 0.00 0.00 64.86 65.49 1smy h ILE 102 Cb 1.24 -0.10 -0.14 0.00 -1.09 0.00 0.00 36.82 36.74 1smy h ILE 102 CO 0.95 0.17 0.61 -0.50 -1.08 0.00 0.00 178.15 178.30 1smy h TRP 103 N 0.92 0.89 -0.32 2.19 4.06 -1.96 0.46 115.95 122.20 1smy h TRP 103 Ca 0.48 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.47 1smy h TRP 103 Cb 0.54 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1smy h TRP 103 CO -0.00 -0.11 0.00 1.19 -3.56 0.00 0.00 178.44 175.96 1smy n PHE 104 N -4.95 0.40 -0.10 0.49 0.99 -1.00 -3.73 117.46 109.56 1smy n PHE 104 Ca 0.31 -0.20 -0.15 0.00 -0.00 0.00 0.00 57.45 57.40 1smy n PHE 104 Cb 0.96 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 39.35 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 1.33 1.19 -0.31 -4.37 0.31 0.14 -2.70 118.33 113.93 1smy n VAL 105 Ca 0.18 -0.45 0.07 0.00 -0.01 0.00 0.00 64.34 64.14 1smy n VAL 105 Cb 0.57 -1.28 0.21 0.00 -0.91 0.00 0.00 33.84 32.44 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 -3.17 2.90 -2.35 5.55 4.76 -0.14 -4.59 118.16 121.12 1smy n LYS 106 Ca -0.37 -2.31 -0.42 0.00 -2.87 0.00 0.00 58.31 52.34 1smy n LYS 106 Cb 0.89 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 32.63 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 -1.06 6.96 0.02 4.39 2.15 -1.24 -4.89 116.67 122.99 1smy s ASP 107 Ca 0.32 1.96 -0.03 0.00 0.43 0.00 0.00 52.55 55.23 1smy s ASP 107 Cb 0.18 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 40.23 1smy s ASP 107 CO 0.20 -0.64 0.24 0.52 -0.17 0.00 0.00 175.17 175.32 1smy n VAL 108 N 4.61 -0.07 -2.70 1.11 0.31 -1.26 -0.33 118.33 120.01 1smy n VAL 108 Ca 0.12 0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 64.39 1smy n VAL 108 Cb 0.45 -0.47 -0.02 0.00 -0.91 0.00 0.00 33.84 32.89 1smy n VAL 108 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1smy s PRO 109 N -4.07 3.75 -0.75 5.55 0.05 -1.26 -4.88 135.00 133.39 1smy s PRO 109 Ca -0.01 -1.66 -0.33 0.00 0.05 0.00 0.00 61.00 59.05 1smy s PRO 109 Cb 0.01 -5.27 -0.17 0.00 0.05 0.00 0.00 34.50 29.12 1smy s PRO 109 CO 0.06 -2.07 2.50 0.45 0.05 0.00 0.00 177.00 177.99 1smy n SER 110 N 7.83 0.96 0.13 6.66 2.88 0.56 -4.70 113.62 127.93 1smy n SER 110 Ca 0.35 0.16 0.19 0.00 -1.33 0.00 0.00 58.87 58.25 1smy n SER 110 Cb 0.48 -1.08 0.76 0.00 -0.75 0.00 0.00 64.21 63.62 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 12.94 0.00 0.11 -1.46 1.79 -1.72 0.45 116.57 128.69 1smy h LYS 111 Ca -0.12 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.02 1smy h LYS 111 Cb 1.32 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.95 1smy h LYS 111 CO 1.25 0.00 -1.78 -0.84 -1.08 0.00 0.00 179.45 177.01 1smy h ILE 112 N 0.00 0.86 -0.06 1.86 -0.00 -1.82 -3.19 117.51 115.17 1smy h ILE 112 Ca 0.16 -2.56 -0.11 0.00 -0.00 0.00 0.00 64.86 62.35 1smy h ILE 112 Cb 0.98 2.60 -0.01 0.00 -0.00 0.00 0.00 36.82 40.39 1smy h ILE 112 CO -0.00 0.79 -0.48 1.23 -0.00 0.00 0.00 178.15 179.69 1smy h GLY 113 N 1.66 0.15 0.60 0.16 0.00 -0.87 -0.38 103.07 104.38 1smy h GLY 113 Ca -0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1smy h GLY 113 CO 0.12 0.14 -0.29 -0.84 0.00 0.00 0.00 176.54 175.67 1smy h THR 114 N 0.11 0.00 0.00 4.70 2.02 -0.41 -3.24 112.91 116.09 1smy h THR 114 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1smy h THR 114 Cb 0.90 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 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 -4.77 0.00 -4.57 2.58 -0.00 -1.20 -3.86 117.00 105.17 1smy n LEU 115 Ca -0.10 0.65 -0.39 0.00 -0.00 0.00 0.00 56.01 56.17 1smy n LEU 115 Cb 0.32 -0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 43.56 1smy n LEU 115 CO 0.24 -0.15 1.81 -0.76 -0.00 0.00 0.00 177.39 178.53 1smy s LEU 116 N -2.32 3.40 -1.06 -1.96 1.43 -0.16 -4.81 118.68 113.21 1smy s LEU 116 Ca 0.00 1.07 -0.25 0.00 -1.03 0.00 0.00 54.13 53.92 1smy s LEU 116 Cb 0.00 -2.85 -0.14 0.00 0.03 0.00 0.00 46.19 43.23 1smy s LEU 116 CO 0.00 -2.41 2.07 -0.62 0.23 0.00 0.00 176.35 175.62 1smy s ASP 117 N 9.50 4.30 0.25 2.29 2.15 -1.25 -4.37 116.67 129.55 1smy s ASP 117 Ca 0.88 -1.05 0.08 0.00 0.43 0.00 0.00 52.55 52.89 1smy s ASP 117 Cb -0.20 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.79 1smy s ASP 117 CO 0.27 -3.76 -0.13 -0.76 -0.17 0.00 0.00 175.17 170.62 1smy s LEU 118 N 13.61 2.56 -0.82 -1.34 1.02 -1.22 -5.00 118.68 127.48 1smy s LEU 118 Ca 0.77 -1.08 -0.22 0.00 0.02 0.00 0.00 54.13 53.61 1smy s LEU 118 Cb -0.05 -0.78 -0.19 0.00 0.02 0.00 0.00 46.19 45.19 1smy s LEU 118 CO 0.12 -0.18 2.36 -1.20 0.02 0.00 0.00 176.35 177.48 1smy n SER 119 N -0.52 0.92 -0.00 2.29 7.64 -1.26 -4.67 113.62 118.01 1smy n SER 119 Ca -0.06 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1smy n SER 119 Cb 0.61 -1.32 0.01 0.00 -1.01 0.00 0.00 64.21 62.50 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 14.50 0.01 0.00 -0.43 0.00 -1.26 -0.60 120.51 132.73 1smy n ALA 120 Ca 0.52 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1smy n ALA 120 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1smy n ALA 120 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1smy n THR 121 N -3.19 0.00 -0.11 0.00 -2.24 -1.26 -4.51 114.28 102.96 1smy n THR 121 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.57 1smy n THR 121 Cb 0.01 -0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.00 1smy n THR 121 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1smy n GLU 122 N -1.17 0.64 0.04 -0.78 -0.58 0.23 -4.19 120.64 114.84 1smy n GLU 122 Ca 0.00 0.22 -0.12 0.00 -0.42 0.00 0.00 57.16 56.83 1smy n GLU 122 Cb 0.14 -1.55 -0.06 0.00 -0.57 0.00 0.00 31.44 29.41 1smy n GLU 122 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1smy h LEU 123 N -0.31 -1.14 -0.03 -4.62 5.85 -1.44 -2.31 115.31 111.31 1smy h LEU 123 Ca -0.58 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1smy h LEU 123 Cb 1.81 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 43.28 1smy h LEU 123 CO -0.16 -0.42 -0.10 -0.33 -0.34 0.00 0.00 178.44 177.09 1smy h GLU 124 N -0.51 -0.10 -1.28 1.25 5.08 -1.80 -0.61 114.58 116.61 1smy h GLU 124 Ca 0.06 0.01 0.43 0.00 -1.00 0.00 0.00 59.36 58.86 1smy h GLU 124 Cb 0.61 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.76 1smy h GLU 124 CO -0.32 -0.06 0.84 0.94 -1.00 0.00 0.00 179.01 179.41 1smy n GLN 125 N -3.11 -0.03 0.01 2.33 -0.06 -1.16 0.14 117.38 115.51 1smy n GLN 125 Ca -0.01 1.08 -0.18 0.00 -2.00 0.00 0.00 57.00 55.89 1smy n GLN 125 Cb 0.07 -2.17 -0.11 0.00 -4.06 0.00 0.00 30.24 23.96 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 1.40 0.07 1.69 2.07 -0.56 -3.27 116.25 117.65 1smy h VAL 126 Ca 0.78 -2.14 -0.30 0.00 0.82 0.00 0.00 66.70 65.86 1smy h VAL 126 Cb 2.61 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 34.95 1smy h VAL 126 CO -0.35 0.63 -1.62 0.17 0.02 0.00 0.00 177.57 176.42 1smy h LEU 127 N -0.03 0.22 -0.01 2.57 8.10 0.67 -3.15 115.31 123.68 1smy h LEU 127 Ca -0.09 -0.73 0.03 0.00 0.11 0.00 0.00 57.88 57.20 1smy h LEU 127 Cb 1.41 -0.07 -0.06 0.00 -0.44 0.00 0.00 40.66 41.50 1smy h LEU 127 CO 0.14 1.67 -0.49 1.88 -4.11 0.00 0.00 178.44 177.54 1smy h TYR 128 N -0.47 -1.41 0.00 0.17 0.99 0.98 -2.64 116.97 114.60 1smy h TYR 128 Ca -0.38 0.05 -0.26 0.00 2.00 0.00 0.00 58.73 60.13 1smy h TYR 128 Cb 1.67 0.62 -0.04 0.00 1.00 0.00 0.00 36.73 39.97 1smy h TYR 128 CO 0.09 -0.54 -1.52 0.74 -0.00 0.00 0.00 178.16 176.93 1smy h PHE 129 N -0.63 0.00 -0.06 4.88 -1.00 -1.73 -3.38 116.94 115.02 1smy h PHE 129 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1smy h PHE 129 Cb 0.70 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1smy h PHE 129 CO -0.48 0.98 0.00 0.45 -1.61 0.00 0.00 178.31 177.64 1smy n SER 130 N -3.11 0.00 -2.56 2.17 2.88 -1.20 -4.69 113.62 107.11 1smy n SER 130 Ca -0.12 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.27 1smy n SER 130 Cb 1.01 0.00 0.02 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 2.23 -3.05 -1.46 2.85 -1.25 -4.48 118.16 113.00 1smy n LYS 131 Ca 0.00 -3.77 -0.44 0.00 -1.05 0.00 0.00 58.31 53.04 1smy n LYS 131 Cb 0.00 -1.74 0.00 0.00 -0.65 0.00 0.00 35.03 32.64 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 -0.38 4.37 -0.99 5.58 4.02 -1.19 -4.69 117.16 123.89 1smy n TYR 132 Ca 0.22 -3.38 -0.32 0.00 -0.01 0.00 0.00 57.90 54.41 1smy n TYR 132 Cb 0.79 -1.79 -0.00 0.00 -0.02 0.00 0.00 39.34 38.32 1smy n TYR 132 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1smy n ILE 133 N 3.05 0.42 -3.98 -0.72 5.41 -1.25 -4.29 119.36 118.00 1smy n ILE 133 Ca 0.30 -0.38 -0.30 0.00 1.00 0.00 0.00 62.75 63.36 1smy n ILE 133 Cb 0.39 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.16 1smy n ILE 133 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1smy s VAL 134 N -1.33 1.57 -0.80 1.39 -7.23 -0.63 -1.97 120.40 111.39 1smy s VAL 134 Ca 0.45 -0.95 -0.22 0.00 -1.81 0.00 0.00 61.98 59.45 1smy s VAL 134 Cb -0.47 -1.66 -0.18 0.00 0.56 0.00 0.00 36.38 34.63 1smy s VAL 134 CO 0.49 0.17 2.38 0.18 -0.31 0.00 0.00 175.10 178.01 1smy n LEU 135 N 4.71 0.98 0.00 1.32 4.77 -1.07 -3.88 117.00 123.82 1smy n LEU 135 Ca -0.14 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1smy n LEU 135 Cb 0.47 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1smy n LEU 135 CO 0.20 -1.96 0.00 -0.67 -1.33 0.00 0.00 177.39 173.63 1smy n ASP 136 N 14.25 0.00 -0.70 -1.43 4.64 -0.60 -4.08 116.55 128.62 1smy n ASP 136 Ca 0.52 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.93 1smy n ASP 136 Cb 0.34 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.42 1smy n ASP 136 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1smy n PRO 137 N 0.00 3.60 -0.82 -0.67 -0.02 -1.26 -4.78 135.00 131.06 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 -1.71 -0.52 4.01 -1.26 -4.56 118.16 113.47 1smy n LYS 138 Ca 0.00 -0.17 -0.01 0.00 -0.51 0.00 0.00 58.31 57.62 1smy n LYS 138 Cb 0.00 -1.53 0.03 0.00 -0.51 0.00 0.00 35.03 33.02 1smy n LYS 138 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1smy n GLY 139 N 2.31 0.06 0.00 0.72 0.00 -1.26 -2.06 105.19 104.95 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 -0.46 0.00 -1.25 4.61 0.00 -1.26 -4.62 120.51 117.52 1smy n ALA 140 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 1smy n ALA 140 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.07 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 0.34 -2.99 0.00 -0.00 -1.26 -4.31 119.36 111.14 1smy n ILE 141 Ca 0.00 -0.50 -0.17 0.00 -0.00 0.00 0.00 62.75 62.08 1smy n ILE 141 Cb 0.00 -0.11 0.01 0.00 -0.00 0.00 0.00 39.64 39.54 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 4.58 3.61 -0.01 1.39 0.05 -1.26 -4.35 118.68 122.69 1smy s LEU 142 Ca 0.57 -0.42 0.10 0.00 0.05 0.00 0.00 54.13 54.43 1smy s LEU 142 Cb -0.45 -2.61 -0.15 0.00 -2.05 0.00 0.00 46.19 40.92 1smy s LEU 142 CO 0.66 -0.81 0.29 0.59 -0.55 0.00 0.00 176.35 176.52 1smy n ASN 143 N -1.90 2.01 0.00 1.48 4.13 -1.26 -4.86 115.26 114.86 1smy n ASN 143 Ca 0.08 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1smy n ASN 143 Cb 0.59 1.34 0.00 0.00 -1.54 0.00 0.00 39.78 40.17 1smy n ASN 143 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1smy n GLY 144 N 1.72 0.44 3.35 7.41 0.00 -1.26 -5.12 105.19 111.73 1smy n GLY 144 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 0.66 0.95 1.61 0.11 -1.26 -5.16 120.40 117.32 1smy s VAL 145 Ca 0.00 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 56.93 1smy s VAL 145 Cb 0.00 -2.65 0.16 0.00 -1.53 0.00 0.00 36.38 32.36 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 -3.98 0.81 0.28 1.54 0.04 -1.26 -4.37 135.00 128.06 1smy s PRO 146 Ca 0.37 0.79 -0.28 0.00 0.04 0.00 0.00 61.00 61.92 1smy s PRO 146 Cb 0.08 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.71 1smy s PRO 146 CO 0.14 -2.54 0.88 0.28 0.04 0.00 0.00 177.00 175.81 1smy n VAL 147 N -4.08 2.00 -2.08 -0.36 0.31 -1.26 -4.82 118.33 108.03 1smy n VAL 147 Ca 0.06 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.47 1smy n VAL 147 Cb 0.55 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 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 0.76 3.23 -0.13 5.55 -0.58 -1.26 -4.86 120.64 123.35 1smy n GLU 148 Ca 0.11 -3.09 0.07 0.00 -0.42 0.00 0.00 57.16 53.84 1smy n GLU 148 Cb 0.31 -3.13 0.14 0.00 -0.57 0.00 0.00 31.44 28.19 1smy n GLU 148 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1smy n LYS 149 N 5.19 -0.03 -0.84 3.49 0.00 -1.26 -0.77 118.16 123.95 1smy n LYS 149 Ca 0.46 0.58 0.02 0.00 -0.00 0.00 0.00 58.31 59.36 1smy n LYS 149 Cb 0.38 -0.94 0.01 0.00 -0.00 0.00 0.00 35.03 34.48 1smy n LYS 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1smy n ARG 150 N -4.27 0.03 -3.88 -1.58 1.74 -1.26 -4.50 116.66 102.94 1smy n ARG 150 Ca 0.11 -1.37 -0.21 0.00 -0.77 0.00 0.00 57.85 55.60 1smy n ARG 150 Cb 0.35 -0.35 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1smy n ARG 150 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1smy s GLN 151 N -0.05 3.01 0.18 5.56 -0.21 0.05 -4.90 119.66 123.30 1smy s GLN 151 Ca 0.12 -1.05 0.05 0.00 0.02 0.00 0.00 55.36 54.50 1smy s GLN 151 Cb 0.14 -2.66 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 1smy s GLN 151 CO -0.06 0.26 0.17 -0.48 -2.12 0.00 0.00 175.29 173.07 1smy s LEU 152 N -3.97 3.90 0.26 2.90 2.34 -1.26 -2.60 118.68 120.24 1smy s LEU 152 Ca 0.38 -0.09 0.01 0.00 0.06 0.00 0.00 54.13 54.48 1smy s LEU 152 Cb -0.08 -2.50 -0.05 0.00 -0.56 0.00 0.00 46.19 43.01 1smy s LEU 152 CO 0.27 0.05 0.11 -1.48 -1.06 0.00 0.00 176.35 174.24 1smy s LEU 153 N -3.25 1.56 0.28 1.48 2.34 -0.83 -5.01 118.68 115.25 1smy s LEU 153 Ca 0.32 -1.41 0.06 0.00 0.06 0.00 0.00 54.13 53.16 1smy s LEU 153 Cb -0.10 0.10 -0.02 0.00 -0.56 0.00 0.00 46.19 45.61 1smy s LEU 153 CO 0.25 -0.77 0.39 0.28 -1.06 0.00 0.00 176.35 175.44 1smy s THR 154 N -3.80 4.67 0.20 5.48 -1.32 -1.26 -3.75 115.64 115.86 1smy s THR 154 Ca 0.38 -1.04 -0.12 0.00 -1.21 0.00 0.00 61.69 59.71 1smy s THR 154 Cb 0.07 -3.63 0.15 0.00 -1.51 0.00 0.00 72.50 67.59 1smy s THR 154 CO 0.14 -0.26 1.69 0.44 -2.21 0.00 0.00 174.62 174.43 1smy h ASP 155 N 1.09 -0.10 0.00 8.08 5.19 -1.98 0.30 116.42 129.00 1smy h ASP 155 Ca -0.49 0.12 0.03 0.00 -0.62 0.00 0.00 57.03 56.07 1smy h ASP 155 Cb 1.24 0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.89 1smy h ASP 155 CO 0.58 -0.03 -0.22 -0.33 -3.12 0.00 0.00 179.24 176.11 1smy h GLU 156 N 0.19 -0.34 0.00 3.56 4.39 -1.98 0.72 114.58 121.12 1smy h GLU 156 Ca 0.29 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.90 1smy h GLU 156 Cb 0.43 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1smy h GLU 156 CO -0.41 -0.23 -0.53 0.93 -1.16 0.00 0.00 179.01 177.60 1smy h GLU 157 N -0.36 0.00 0.07 2.33 4.39 -1.87 -1.51 114.58 117.64 1smy h GLU 157 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1smy h GLU 157 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1smy h GLU 157 CO -0.20 0.53 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.23 1smy h TYR 158 N 0.00 -0.09 -0.14 4.33 3.20 0.37 -2.82 116.97 121.82 1smy h TYR 158 Ca -0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1smy h TYR 158 Cb 0.95 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1smy h TYR 158 CO 0.00 0.24 0.08 -0.09 -1.64 0.00 0.00 178.16 176.75 1smy h ARG 159 N -0.43 0.18 -0.19 1.82 2.43 0.48 0.86 114.38 119.53 1smy h ARG 159 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1smy h ARG 159 Cb 0.37 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1smy h ARG 159 CO 0.02 0.14 0.00 0.39 -1.51 0.00 0.00 179.97 179.00 1smy n GLU 160 N -4.50 1.13 0.00 0.20 1.02 -0.57 -3.59 120.64 114.33 1smy n GLU 160 Ca -0.01 -0.18 -0.02 0.00 -0.02 0.00 0.00 57.16 56.93 1smy n GLU 160 Cb 0.09 -1.11 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 1smy n GLU 160 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1smy n LEU 161 N -0.30 0.92 0.30 -4.62 7.94 0.27 -3.08 117.00 118.43 1smy n LEU 161 Ca 0.02 0.13 -0.18 0.00 -1.11 0.00 0.00 56.01 54.87 1smy n LEU 161 Cb 0.08 -0.37 -0.10 0.00 0.53 0.00 0.00 43.42 43.56 1smy n LEU 161 CO 0.01 -0.57 0.53 -0.09 -1.11 0.00 0.00 177.39 176.16 1smy h ARG 162 N -0.22 -0.99 0.00 1.96 2.43 -1.61 -2.55 114.38 113.40 1smy h ARG 162 Ca 0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1smy h ARG 162 Cb 0.22 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1smy h ARG 162 CO 0.00 -0.66 0.00 -0.92 -1.51 0.00 0.00 179.97 176.88 1smy h TYR 163 N -1.03 0.00 0.00 2.20 3.20 -1.85 -3.35 116.97 116.14 1smy h TYR 163 Ca -0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1smy h TYR 163 Cb 0.89 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1smy h TYR 163 CO -0.25 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.68 1smy n GLY 164 N 0.71 0.89 0.19 1.82 0.00 -0.97 -4.76 105.19 103.07 1smy n GLY 164 Ca 0.04 -2.20 -0.02 0.00 0.00 0.00 0.00 46.02 43.84 1smy n GLY 164 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smy h LYS 165 N 8.05 0.19 -3.22 1.61 1.79 -1.70 -3.12 116.57 120.18 1smy h LYS 165 Ca 0.00 -0.10 -0.15 0.00 -2.18 0.00 0.00 60.65 58.23 1smy h LYS 165 Cb 0.00 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.42 1smy h LYS 165 CO 0.00 0.60 -0.41 -1.14 -1.08 0.00 0.00 179.45 177.42 1smy s GLN 166 N -4.08 0.43 -0.45 3.15 2.00 -1.26 -4.75 119.66 114.70 1smy s GLN 166 Ca -0.04 0.00 0.03 0.00 -2.00 0.00 0.00 55.36 53.35 1smy s GLN 166 Cb 0.13 0.19 0.13 0.00 0.80 0.00 0.00 33.01 34.27 1smy s GLN 166 CO 0.77 -0.09 0.22 -2.00 -0.50 0.00 0.00 175.29 173.69 1smy s GLU 167 N -0.65 1.45 -0.11 1.67 2.56 -1.26 -2.24 118.70 120.12 1smy s GLU 167 Ca -0.07 -2.10 -0.01 0.00 0.00 0.00 0.00 54.97 52.78 1smy s GLU 167 Cb -0.04 -2.63 -0.03 0.00 2.00 0.00 0.00 34.13 33.43 1smy s GLU 167 CO 0.02 -1.12 -0.05 0.95 -0.56 0.00 0.00 175.26 174.50 1smy s THR 168 N 0.29 3.85 -0.20 -1.70 -4.23 -1.01 -5.01 115.64 107.62 1smy s THR 168 Ca 0.17 -0.40 0.14 0.00 -1.18 0.00 0.00 61.69 60.41 1smy s THR 168 Cb -0.24 -2.63 0.44 0.00 1.34 0.00 0.00 72.50 71.41 1smy s THR 168 CO -0.02 0.56 1.19 0.00 -0.54 0.00 0.00 174.62 175.81 1smy n TYR 169 N 2.78 0.94 -1.44 3.99 4.11 -1.26 0.40 117.16 126.67 1smy n TYR 169 Ca -0.18 -1.61 -0.48 0.00 -0.00 0.00 0.00 57.90 55.63 1smy n TYR 169 Cb 0.53 -0.26 -0.08 0.00 -0.00 0.00 0.00 39.34 39.53 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 -0.66 0.76 -3.55 -3.48 -0.02 -1.20 -4.41 135.00 122.44 1smy n PRO 170 Ca 0.22 0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 61.49 1smy n PRO 170 Cb 0.86 -2.32 -0.11 0.00 -0.02 0.00 0.00 33.50 31.92 1smy n PRO 170 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1smy s LEU 171 N 8.09 4.14 0.94 2.45 0.05 -1.26 -2.11 118.68 130.98 1smy s LEU 171 Ca 1.14 -0.08 -0.12 0.00 0.05 0.00 0.00 54.13 55.12 1smy s LEU 171 Cb -0.91 -2.16 0.06 0.00 -2.05 0.00 0.00 46.19 41.13 1smy s LEU 171 CO 0.48 -0.11 0.58 -2.65 -0.55 0.00 0.00 176.35 174.10 1smy n PRO 172 N 5.10 -0.31 -4.17 1.48 -0.02 -1.23 -4.93 135.00 130.94 1smy n PRO 172 Ca -0.13 -0.04 -0.26 0.00 -2.02 0.00 0.00 63.50 61.05 1smy n PRO 172 Cb 0.51 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.95 1smy n PRO 172 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1smy s PRO 173 N -3.83 2.60 4.29 0.52 0.05 -1.26 -4.62 135.00 132.75 1smy s PRO 173 Ca 0.59 -1.06 0.00 0.00 0.05 0.00 0.00 61.00 60.59 1smy s PRO 173 Cb -0.22 -2.45 0.00 0.00 0.05 0.00 0.00 34.50 31.88 1smy s PRO 173 CO 0.65 0.45 0.00 0.41 0.05 0.00 0.00 177.00 178.56 1smy n GLY 174 N -0.37 0.35 0.00 0.56 0.00 -1.26 -4.42 105.19 100.05 1smy n GLY 174 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.93 118.33 114.04 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 -0.28 1.37 0.00 4.52 8.00 -1.26 -4.62 116.55 124.27 1smy n ASP 176 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1smy n ASP 176 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 -3.86 0.00 0.29 2.24 0.00 -1.26 -1.97 120.51 115.96 1smy n ALA 177 Ca -0.10 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.52 1smy n ALA 177 Cb 0.32 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.62 1smy n ALA 177 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1smy h LEU 178 N 0.00 0.00 0.00 0.00 6.46 -1.93 -2.61 115.31 117.23 1smy h LEU 178 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1smy h LEU 178 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1smy h LEU 178 CO 0.00 0.03 0.00 0.52 -0.62 0.00 0.00 178.44 178.37 1smy n VAL 179 N -3.18 1.00 -0.07 1.05 0.31 -0.93 -3.03 118.33 113.47 1smy n VAL 179 Ca -0.01 0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.47 1smy n VAL 179 Cb 0.23 -1.08 -0.08 0.00 -0.91 0.00 0.00 33.84 31.99 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 -1.38 0.88 0.06 5.55 5.02 -0.83 -4.10 118.16 123.36 1smy n LYS 180 Ca 0.04 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 1smy n LYS 180 Cb 0.10 -1.32 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 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 -0.06 0.12 4.39 3.32 -1.62 -3.00 116.42 119.56 1smy h ASP 181 Ca -0.35 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1smy h ASP 181 Cb 1.62 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.19 1smy h ASP 181 CO -0.03 0.02 -0.06 1.23 -1.72 0.00 0.00 179.24 178.68 1smy h GLY 182 N -0.13 -0.16 -0.23 2.75 0.00 -1.82 -3.29 103.07 100.19 1smy h GLY 182 Ca -0.01 0.06 0.23 0.00 0.00 0.00 0.00 47.33 47.62 1smy h GLY 182 CO 0.01 -0.06 0.43 0.83 0.00 0.00 0.00 176.54 177.75 1smy h GLU 183 N -0.58 0.40 0.00 4.80 5.08 -1.71 0.67 114.58 123.24 1smy h GLU 183 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1smy h GLU 183 Cb 0.46 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1smy h GLU 183 CO 0.03 0.27 0.00 0.39 -1.00 0.00 0.00 179.01 178.69 1smy n GLU 184 N -5.03 0.16 -1.03 2.33 1.02 -1.13 -3.17 120.64 113.78 1smy n GLU 184 Ca 0.24 0.44 0.04 0.00 -0.02 0.00 0.00 57.16 57.85 1smy n GLU 184 Cb 0.70 -1.83 0.05 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.13 0.38 -0.05 2.62 0.31 0.20 -4.91 118.33 114.76 1smy n VAL 185 Ca 0.02 -1.08 -0.09 0.00 -0.01 0.00 0.00 64.34 63.17 1smy n VAL 185 Cb 0.18 0.64 -0.04 0.00 -0.91 0.00 0.00 33.84 33.71 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 0.05 0.54 -2.32 2.52 3.14 0.66 -4.60 118.33 118.31 1smy n VAL 186 Ca 0.07 -0.16 -0.40 0.00 -2.96 0.00 0.00 64.34 60.88 1smy n VAL 186 Cb 0.94 -1.31 -0.03 0.00 -1.06 0.00 0.00 33.84 32.38 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 -2.18 3.04 0.00 1.45 -0.14 -1.26 -3.93 119.74 116.72 1smy s LYS 187 Ca -0.13 0.30 0.00 0.00 -1.36 0.00 0.00 55.97 54.78 1smy s LYS 187 Cb 0.04 -4.23 0.00 0.00 -1.68 0.00 0.00 37.83 31.96 1smy s LYS 187 CO 0.19 -2.28 0.00 0.41 -0.76 0.00 0.00 175.35 172.91 1smy n GLY 188 N 5.45 1.35 3.55 -3.33 0.00 -1.26 -4.94 105.19 106.01 1smy n GLY 188 Ca 0.12 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 0.67 -1.53 1.61 1.13 -1.25 -4.83 117.38 113.17 1smy n GLN 189 Ca 0.00 -0.47 -0.38 0.00 -1.94 0.00 0.00 57.00 54.22 1smy n GLN 189 Cb 0.00 -3.34 -0.07 0.00 0.11 0.00 0.00 30.24 26.93 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 8.65 0.65 -2.76 -1.09 4.71 -1.26 -4.52 120.64 125.02 1smy n GLU 190 Ca 0.46 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.16 57.17 1smy n GLU 190 Cb 0.44 -2.73 -0.03 0.00 -1.01 0.00 0.00 31.44 28.10 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 11.07 4.04 1.23 -4.62 1.43 -0.72 -4.92 118.68 126.20 1smy s LEU 191 Ca 1.12 1.06 -0.20 0.00 -1.03 0.00 0.00 54.13 55.09 1smy s LEU 191 Cb -0.57 -3.38 0.30 0.00 0.03 0.00 0.00 46.19 42.57 1smy s LEU 191 CO 0.34 -0.69 1.09 0.00 0.23 0.00 0.00 176.35 177.32 1smy s ALA 192 N 3.22 0.44 0.75 4.21 0.00 -1.26 -4.30 121.76 124.82 1smy s ALA 192 Ca 0.40 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 1smy s ALA 192 Cb -0.14 -2.89 0.05 0.00 0.00 0.00 0.00 23.12 20.14 1smy s ALA 192 CO 0.10 -3.72 1.17 -2.14 0.00 0.00 0.00 175.76 171.18 1smy s PRO 193 N -5.36 2.10 -2.08 0.00 0.02 -1.26 -2.94 135.00 125.48 1smy s PRO 193 Ca 0.71 1.60 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1smy s PRO 193 Cb -0.10 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1smy s PRO 193 CO 0.56 -1.83 0.00 0.41 -0.33 0.00 0.00 177.00 175.81 1smy n GLY 194 N 0.04 1.20 3.62 0.52 0.00 -0.74 -4.86 105.19 104.97 1smy n GLY 194 Ca 0.12 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.89 0.44 -2.83 1.61 0.31 -0.97 -4.71 118.33 109.29 1smy n VAL 195 Ca -0.22 -0.18 -0.43 0.00 -0.01 0.00 0.00 64.34 63.50 1smy n VAL 195 Cb 0.69 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.72 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 5.34 4.48 0.83 2.52 1.01 -1.26 -1.83 120.40 131.49 1smy s VAL 196 Ca 0.98 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 1smy s VAL 196 Cb -0.71 -4.83 0.09 0.00 0.00 0.00 0.00 36.38 30.93 1smy s VAL 196 CO 0.50 -1.60 1.12 -0.55 0.00 0.00 0.00 175.10 174.56 1smy s SER 197 N 3.94 3.83 -0.09 3.32 0.15 -0.13 -4.96 113.70 119.77 1smy s SER 197 Ca 0.34 2.00 0.13 0.00 0.70 0.00 0.00 55.95 59.12 1smy s SER 197 Cb -0.05 -2.54 0.24 0.00 -1.71 0.00 0.00 66.02 61.96 1smy s SER 197 CO -0.07 -2.49 1.15 0.54 1.20 0.00 0.00 173.24 173.57 1smy n ARG 198 N -3.78 2.01 0.00 5.44 1.74 -1.26 -3.66 116.66 117.14 1smy n ARG 198 Ca 0.10 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 1smy n ARG 198 Cb 0.52 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1smy n ARG 198 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1smy n LEU 199 N -0.98 0.00 -4.65 0.55 0.00 -1.26 -4.94 117.00 105.72 1smy n LEU 199 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.71 1smy n LEU 199 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.94 1smy n LEU 199 CO 0.03 0.00 1.59 -0.62 0.00 0.00 0.00 177.39 178.39 1smy s ASP 200 N -0.13 6.30 1.86 1.96 2.15 -1.26 -4.40 116.67 123.15 1smy s ASP 200 Ca 0.00 2.40 0.00 0.00 0.43 0.00 0.00 52.55 55.38 1smy s ASP 200 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1smy s ASP 200 CO 0.00 -1.21 0.00 0.61 -0.17 0.00 0.00 175.17 174.40 1smy n GLY 201 N 4.70 2.40 3.16 2.66 0.00 -1.26 -3.91 105.19 112.94 1smy n GLY 201 Ca 0.21 0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.94 -0.18 1.61 1.01 -1.26 -4.95 120.40 115.70 1smy s VAL 202 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 61.98 61.61 1smy s VAL 202 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 36.38 36.28 1smy s VAL 202 CO 0.00 0.00 2.03 0.00 0.00 0.00 0.00 175.10 177.13 1smy n ALA 203 N 4.30 1.11 -3.26 5.51 0.00 -1.24 -4.81 120.51 122.12 1smy n ALA 203 Ca 0.11 0.09 -0.44 0.00 0.00 0.00 0.00 53.44 53.21 1smy n ALA 203 Cb 0.57 -2.60 -0.07 0.00 0.00 0.00 0.00 19.45 17.36 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 5.71 5.80 -1.35 0.00 1.43 -1.26 -0.95 118.68 128.06 1smy s LEU 204 Ca 0.98 -1.67 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 1smy s LEU 204 Cb -0.66 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 43.55 1smy s LEU 204 CO 0.48 -0.73 2.21 -1.22 0.23 0.00 0.00 176.35 177.32 1smy n TYR 205 N 5.11 2.80 0.41 0.29 4.02 -0.76 -4.83 117.16 124.19 1smy n TYR 205 Ca -0.12 -2.85 0.00 0.00 -0.01 0.00 0.00 57.90 54.93 1smy n TYR 205 Cb 0.41 -2.01 0.00 0.00 -0.02 0.00 0.00 39.34 37.72 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 3.23 0.41 -3.96 -0.72 5.12 -1.26 -1.79 116.66 117.69 1smy n ARG 206 Ca 0.53 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 56.36 1smy n ARG 206 Cb 0.31 -1.22 -0.11 0.00 -1.16 0.00 0.00 32.46 30.28 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 -0.73 0.22 0.00 -1.55 0.40 -1.26 -4.25 117.98 110.81 1smy s PHE 207 Ca 0.00 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 1smy s PHE 207 Cb 0.00 -0.16 0.00 0.00 0.51 0.00 0.00 43.02 43.37 1smy s PHE 207 CO 0.00 -0.24 0.00 -2.30 0.70 0.00 0.00 175.22 173.38 1smy n PRO 208 N 1.40 0.00 0.00 0.24 -0.02 -1.26 -4.45 135.00 130.91 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 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 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 -2.59 -0.52 5.12 -1.26 -4.25 116.66 113.16 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 2.20 0.10 5.56 1.81 -1.17 -1.75 118.95 125.70 1smy s ARG 210 Ca 0.00 -0.88 0.03 0.00 -1.72 0.00 0.00 55.73 53.16 1smy s ARG 210 Cb 0.00 -2.41 -0.04 0.00 -0.45 0.00 0.00 34.95 32.05 1smy s ARG 210 CO 0.00 -1.02 -0.08 0.08 -0.68 0.00 0.00 175.30 173.60 1smy s VAL 211 N -2.93 0.79 -0.18 3.52 1.01 -1.26 -3.61 120.40 117.75 1smy s VAL 211 Ca 0.61 -1.81 -0.05 0.00 0.00 0.00 0.00 61.98 60.73 1smy s VAL 211 Cb -0.08 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.83 1smy s VAL 211 CO 0.41 -0.74 0.09 -0.60 0.00 0.00 0.00 175.10 174.26 1smy s ARG 212 N -3.39 0.07 0.35 2.72 3.52 -1.23 -4.21 118.95 116.78 1smy s ARG 212 Ca 0.09 -0.12 -0.16 0.00 -0.13 0.00 0.00 55.73 55.41 1smy s ARG 212 Cb 0.02 -1.77 -0.09 0.00 -1.56 0.00 0.00 34.95 31.55 1smy s ARG 212 CO -0.03 -0.70 0.79 0.54 -0.81 0.00 0.00 175.30 175.10 1smy s VAL 213 N 2.14 4.61 0.00 7.11 0.11 -1.26 -3.74 120.40 129.37 1smy s VAL 213 Ca 0.03 1.07 0.00 0.00 -2.93 0.00 0.00 61.98 60.15 1smy s VAL 213 Cb -0.16 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 1smy s VAL 213 CO -0.11 -0.24 0.00 -0.62 -3.33 0.00 0.00 175.10 170.80 1smy n GLU 214 N -0.48 0.00 -4.22 1.54 1.02 0.88 -4.98 120.64 114.40 1smy n GLU 214 Ca 0.04 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.92 1smy n GLU 214 Cb 0.53 -0.05 -0.08 0.00 -0.02 0.00 0.00 31.44 31.82 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 2.81 -0.07 -0.32 1.51 -1.26 -4.95 117.35 115.07 1smy s TYR 215 Ca 0.00 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1smy s TYR 215 Cb 0.00 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1smy s TYR 215 CO 0.00 0.51 -0.18 0.08 -1.11 0.00 0.00 175.55 174.85 1smy s VAL 216 N -1.70 2.68 0.00 0.71 1.01 -1.26 -4.33 120.40 117.50 1smy s VAL 216 Ca 0.27 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1smy s VAL 216 Cb -0.09 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1smy s VAL 216 CO 0.18 0.57 0.00 2.29 0.00 0.00 0.00 175.10 178.14 1smy n LYS 217 N 2.84 0.00 -2.77 2.72 0.00 -1.26 -4.75 118.16 114.94 1smy n LYS 217 Ca -0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.12 1smy n LYS 217 Cb 0.52 0.00 0.07 0.00 -0.00 0.00 0.00 35.03 35.62 1smy n LYS 217 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1smy n LYS 218 N 0.00 1.54 0.00 -1.58 2.85 -1.24 -4.05 118.16 115.69 1smy n LYS 218 Ca 0.00 -2.79 0.00 0.00 -1.05 0.00 0.00 58.31 54.47 1smy n LYS 218 Cb 0.00 -0.95 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 1smy n LYS 218 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1smy n GLU 219 N -0.79 0.00 -3.80 -1.58 0.00 -1.26 -4.64 120.64 108.57 1smy n GLU 219 Ca 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 57.16 57.27 1smy n GLU 219 Cb 0.83 -0.73 -0.15 0.00 0.00 0.00 0.00 31.44 31.38 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 -0.94 0.01 -0.24 3.44 1.04 -1.26 -3.75 118.95 117.25 1smy s ARG 220 Ca 0.00 0.17 -0.05 0.00 -1.04 0.00 0.00 55.73 54.81 1smy s ARG 220 Cb 0.00 -0.14 -0.01 0.00 -2.04 0.00 0.00 34.95 32.76 1smy s ARG 220 CO 0.00 -0.11 0.01 0.00 -0.04 0.00 0.00 175.30 175.15 1smy s ALA 221 N 0.72 2.95 -0.28 7.88 0.00 -1.26 -4.99 121.76 126.77 1smy s ALA 221 Ca -0.06 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 50.49 1smy s ALA 221 Cb -0.08 -1.87 0.10 0.00 0.00 0.00 0.00 23.12 21.26 1smy s ALA 221 CO -0.02 -0.52 0.82 0.20 0.00 0.00 0.00 175.76 176.24 1smy s GLY 222 N 1.52 -0.39 -0.40 0.00 0.00 -1.26 0.61 107.32 107.39 1smy s GLY 222 Ca 0.05 2.46 0.00 0.00 0.00 0.00 0.00 44.72 47.24 1smy s GLY 222 CO -0.01 2.08 0.00 -0.10 0.00 0.00 0.00 173.10 175.08 1smy n LEU 223 N 3.19 0.07 0.00 0.66 -0.00 0.19 -4.87 117.00 116.24 1smy n LEU 223 Ca -0.16 0.09 -0.11 0.00 -0.00 0.00 0.00 56.01 55.84 1smy n LEU 223 Cb 0.57 -1.61 0.06 0.00 -0.00 0.00 0.00 43.42 42.44 1smy n LEU 223 CO 0.01 -0.54 0.28 0.54 -0.00 0.00 0.00 177.39 177.69 1smy n ARG 224 N -1.52 0.02 -1.81 1.96 5.12 -1.26 -4.74 116.66 114.44 1smy n ARG 224 Ca -0.04 -1.07 -0.30 0.00 -1.93 0.00 0.00 57.85 54.52 1smy n ARG 224 Cb 0.30 -0.38 0.16 0.00 -1.16 0.00 0.00 32.46 31.37 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 2.40 0.00 0.55 2.34 -1.26 -4.74 118.68 117.98 1smy s LEU 225 Ca 0.30 0.50 0.00 0.00 0.06 0.00 0.00 54.13 54.99 1smy s LEU 225 Cb -0.01 -2.66 0.00 0.00 -0.56 0.00 0.00 46.19 42.96 1smy s LEU 225 CO 0.20 -2.63 0.53 -2.65 -1.06 0.00 0.00 176.35 170.74 1smy n PRO 226 N -3.74 0.79 0.43 1.48 -0.02 -1.26 -4.18 135.00 128.50 1smy n PRO 226 Ca 0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.43 1smy n PRO 226 Cb 0.60 -1.26 -0.08 0.00 -0.02 0.00 0.00 33.50 32.73 1smy n PRO 226 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1smy h LEU 227 N 0.14 -1.01 0.00 2.45 -0.00 -1.99 -2.80 115.31 112.10 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 0.26 0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1smy h LEU 227 CO 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 178.44 177.75 1smy n ALA 228 N -2.60 2.06 -0.31 0.17 0.00 -1.26 -3.94 120.51 114.64 1smy n ALA 228 Ca -0.14 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.35 1smy n ALA 228 Cb 0.45 -1.37 0.28 0.00 0.00 0.00 0.00 19.45 18.81 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 2.80 1.20 -0.01 0.00 0.00 -1.72 0.30 119.26 121.83 1smy h ALA 229 Ca 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 1smy h ALA 229 Cb 0.39 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1smy h ALA 229 CO 0.00 -0.52 -0.90 0.11 0.00 0.00 0.00 179.25 177.94 1smy h TRP 230 N 0.11 0.50 -0.45 0.00 -0.00 -1.73 -3.30 115.95 111.08 1smy h TRP 230 Ca 0.56 -0.27 0.09 0.00 -0.00 0.00 0.00 58.89 59.27 1smy h TRP 230 Cb 1.14 -0.06 -0.10 0.00 -0.00 0.00 0.00 29.16 30.15 1smy h TRP 230 CO -0.36 1.08 -0.30 -0.24 -0.00 0.00 0.00 178.44 178.61 1smy h VAL 231 N 0.19 0.24 -2.51 0.12 3.04 -0.61 -3.02 116.25 113.70 1smy h VAL 231 Ca -0.06 0.00 -0.76 0.00 -1.01 0.00 0.00 66.70 64.87 1smy h VAL 231 Cb 1.52 0.24 -0.31 0.00 -2.01 0.00 0.00 31.29 30.74 1smy h VAL 231 CO 0.15 0.00 0.53 -0.62 -1.01 0.00 0.00 177.57 176.62 1smy n GLU 232 N -5.42 4.43 0.00 4.17 4.71 -1.16 -4.77 120.64 122.60 1smy n GLU 232 Ca 0.02 -4.65 0.00 0.00 -0.01 0.00 0.00 57.16 52.52 1smy n GLU 232 Cb 0.34 -2.43 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 0.59 0.00 0.00 3.49 0.00 -1.14 -3.48 118.16 117.62 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 0.02 -1.58 0.00 -1.26 0.54 120.64 118.36 1smy n GLU 234 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.95 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 0.12 0.00 -1.84 0.00 -1.62 -1.02 119.26 114.89 1smy h ALA 235 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 54.91 53.79 1smy h ALA 235 Cb 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1smy h ALA 235 CO 0.00 0.74 -0.51 1.88 0.00 0.00 0.00 179.25 181.36 1smy h TYR 236 N -0.31 0.00 0.00 0.00 0.99 0.01 -3.31 116.97 114.34 1smy h TYR 236 Ca -0.27 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.43 1smy h TYR 236 Cb 1.74 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 39.47 1smy h TYR 236 CO 0.14 0.51 -0.18 1.57 -0.00 0.00 0.00 178.16 180.19 1smy h LYS 237 N 0.00 0.00 0.00 4.88 -0.00 -0.32 -3.50 116.57 117.63 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 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.18 1smy h LYS 237 CO 0.07 0.44 0.00 -0.35 -0.00 0.00 0.00 179.45 179.61 1smy n PRO 238 N -4.67 0.42 -2.97 0.07 -0.04 -0.40 -5.03 135.00 122.38 1smy n PRO 238 Ca -0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 1smy n PRO 238 Cb 0.26 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.73 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 0.90 4.95 0.28 0.55 0.00 -1.25 -3.65 105.19 106.96 1smy n GLY 239 Ca 0.00 -2.58 0.05 0.00 0.00 0.00 0.00 46.02 43.49 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 1.90 1.57 -0.08 1.61 0.00 -1.13 -4.60 120.64 119.92 1smy n GLU 240 Ca 0.28 -0.75 0.22 0.00 0.00 0.00 0.00 57.16 56.90 1smy n GLU 240 Cb 0.35 -1.11 0.67 0.00 0.00 0.00 0.00 31.44 31.35 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 1.36 0.69 -0.29 3.84 2.10 -1.82 0.24 117.51 123.63 1smy h ILE 241 Ca 0.00 -0.02 -0.10 0.00 1.08 0.00 0.00 64.86 65.82 1smy h ILE 241 Cb 0.36 0.62 -0.01 0.00 -1.09 0.00 0.00 36.82 36.70 1smy h ILE 241 CO 0.00 0.01 -0.21 -0.07 -1.08 0.00 0.00 178.15 176.80 1smy h LEU 242 N 0.06 0.69 -1.30 2.19 3.38 -1.92 -2.90 115.31 115.52 1smy h LEU 242 Ca 0.32 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1smy h LEU 242 Cb 1.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1smy h LEU 242 CO -0.02 0.99 -0.17 0.00 0.09 0.00 0.00 178.44 179.32 1smy h ALA 243 N 0.73 1.05 -1.16 1.53 0.00 -0.98 -3.09 119.26 117.33 1smy h ALA 243 Ca 0.06 -0.15 0.35 0.00 0.00 0.00 0.00 54.91 55.16 1smy h ALA 243 Cb 0.76 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.41 1smy h ALA 243 CO 0.06 0.21 0.74 1.49 0.00 0.00 0.00 179.25 181.75 1smy h GLU 244 N 0.00 0.23 -5.69 0.00 4.81 -0.57 -3.32 114.58 110.05 1smy h GLU 244 Ca -0.00 -0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 58.86 1smy h GLU 244 Cb 0.64 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1smy h GLU 244 CO 0.02 0.15 1.06 -0.51 -0.73 0.00 0.00 179.01 179.01 1smy s LEU 245 N -9.63 3.22 0.00 1.64 1.02 -1.17 -4.35 118.68 109.40 1smy s LEU 245 Ca -0.08 0.33 0.00 0.00 0.02 0.00 0.00 54.13 54.40 1smy s LEU 245 Cb 0.28 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.96 1smy s LEU 245 CO 0.81 -2.91 0.00 -2.65 0.02 0.00 0.00 176.35 171.61 1smy n PRO 246 N 9.00 0.00 0.04 1.29 -0.01 -1.25 -4.08 135.00 139.99 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 -0.02 0.00 -0.01 0.00 0.00 33.50 33.97 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 0.44 0.23 -0.52 0.00 -1.26 -4.43 120.64 115.09 1smy n GLU 247 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 57.16 57.27 1smy n GLU 247 Cb 0.00 -1.64 0.29 0.00 0.00 0.00 0.00 31.44 30.09 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 -3.32 132.00 130.27 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 0.85 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.99 1smy h PRO 248 CO 0.00 0.07 0.00 0.66 0.14 0.00 0.00 178.00 178.87 1smy n TYR 249 N -3.13 0.00 -0.06 1.56 0.53 -1.26 -2.74 117.16 112.06 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 0.49 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.73 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 -0.99 1.52 0.19 7.72 7.99 -1.25 -5.14 117.00 127.04 1smy n LEU 250 Ca 0.04 -0.04 0.05 0.00 -0.01 0.00 0.00 56.01 56.05 1smy n LEU 250 Cb 0.02 -0.12 0.37 0.00 -0.11 0.00 0.00 43.42 43.58 1smy n LEU 250 CO 0.03 0.51 0.70 2.19 -1.51 0.00 0.00 177.39 179.31 1smy h PHE 251 N 0.00 0.00 -0.22 -1.77 -0.00 -1.74 -3.55 116.94 109.66 1smy h PHE 251 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.67 1smy h PHE 251 Cb 1.58 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.53 1smy h PHE 251 CO 0.01 0.37 -0.05 0.41 -0.00 0.00 0.00 178.31 179.04 1smy n GLY 364 N 0.03 -3.19 3.05 6.09 0.00 -1.26 -5.19 105.19 104.73 1smy n GLY 364 Ca -0.01 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.74 0.52 -0.41 1.61 3.84 -1.26 -4.87 116.67 114.35 1smy s ASP 365 Ca 0.00 -0.76 0.01 0.00 -0.00 0.00 0.00 52.55 51.81 1smy s ASP 365 Cb 0.00 0.13 0.25 0.00 -1.38 0.00 0.00 42.92 41.92 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 0.82 0.42 -0.67 2.11 0.00 -1.26 -0.63 118.16 118.95 1smy n LYS 366 Ca -0.19 -1.25 -0.31 0.00 0.00 0.00 0.00 58.31 56.57 1smy n LYS 366 Cb 0.58 -0.81 0.27 0.00 0.00 0.00 0.00 35.03 35.07 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 0.51 1.31 1.09 3.15 -4.36 0.20 -4.49 121.20 118.62 1smy s ILE 367 Ca 0.29 0.00 -0.14 0.00 -0.26 0.00 0.00 60.65 60.54 1smy s ILE 367 Cb 0.19 -2.26 0.19 0.00 1.25 0.00 0.00 42.46 41.84 1smy s ILE 367 CO -0.15 0.00 0.74 0.55 0.24 0.00 0.00 174.94 176.32 1smy n VAL 368 N -5.33 0.00 -0.33 8.37 3.14 -1.26 -4.74 118.33 118.18 1smy n VAL 368 Ca 0.14 -0.30 0.19 0.00 -2.96 0.00 0.00 64.34 61.41 1smy n VAL 368 Cb 0.60 -0.86 0.44 0.00 -1.06 0.00 0.00 33.84 32.96 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 2.01 0.00 1.55 0.00 -1.89 -3.38 119.26 115.26 1smy h ALA 369 Ca -0.54 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1smy h ALA 369 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1smy h ALA 369 CO 0.43 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1smy n ALA 370 N -2.40 0.00 0.00 0.00 0.00 -1.25 -4.14 120.51 112.72 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 0.77 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 -1.78 0.00 -6.64 -1.26 -5.02 119.36 104.67 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 -0.47 0.17 0.00 -1.44 0.00 0.00 39.64 37.90 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 -3.27 3.14 0.29 7.28 1.47 -1.26 -5.06 116.67 119.26 1smy s ASP 372 Ca 0.00 0.48 0.00 0.00 1.18 0.00 0.00 52.55 54.21 1smy s ASP 372 Cb 0.00 -0.69 0.00 0.00 -0.34 0.00 0.00 42.92 41.89 1smy s ASP 372 CO 0.00 -2.73 0.00 0.09 0.68 0.00 0.00 175.17 173.21 1smy n PRO 373 N -3.81 0.00 -4.56 2.11 -0.09 -1.26 -4.26 135.00 123.13 1smy n PRO 373 Ca 0.13 0.00 -0.26 0.00 -0.09 0.00 0.00 63.50 63.27 1smy n PRO 373 Cb 0.60 0.00 -0.09 0.00 -0.09 0.00 0.00 33.50 33.92 1smy n PRO 373 CO 0.00 0.00 0.00 -1.21 -0.09 0.00 0.00 175.50 174.20 1smy s GLU 374 N -1.94 1.93 -0.88 0.58 2.02 -1.26 -3.61 118.70 115.53 1smy s GLU 374 Ca 0.00 -2.16 -0.25 0.00 0.02 0.00 0.00 54.97 52.58 1smy s GLU 374 Cb 0.00 -0.96 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 1smy s GLU 374 CO 0.00 -0.35 1.93 -1.21 0.02 0.00 0.00 175.26 175.65 1smy s GLU 375 N -3.79 2.59 0.29 1.61 8.01 -0.11 -4.83 118.70 122.47 1smy s GLU 375 Ca 0.24 -0.25 0.04 0.00 0.01 0.00 0.00 54.97 55.01 1smy s GLU 375 Cb 0.04 -5.02 -0.03 0.00 -4.31 0.00 0.00 34.13 24.81 1smy s GLU 375 CO 0.12 -3.30 0.21 -1.83 0.01 0.00 0.00 175.26 170.48 1smy s GLU 376 N 6.95 1.58 -0.18 1.61 1.03 -1.26 0.20 118.70 128.62 1smy s GLU 376 Ca 0.69 -1.89 -0.03 0.00 0.03 0.00 0.00 54.97 53.77 1smy s GLU 376 Cb -0.07 0.23 -0.01 0.00 -0.80 0.00 0.00 34.13 33.47 1smy s GLU 376 CO 0.01 -0.54 -0.06 0.14 -1.33 0.00 0.00 175.26 173.47 1smy s VAL 377 N -3.67 3.42 -0.65 1.83 -7.23 0.14 -4.82 120.40 109.42 1smy s VAL 377 Ca 0.39 -0.50 -0.02 0.00 -1.81 0.00 0.00 61.98 60.04 1smy s VAL 377 Cb 0.04 -2.52 0.38 0.00 0.56 0.00 0.00 36.38 34.84 1smy s VAL 377 CO 0.21 0.46 2.07 -0.38 -0.31 0.00 0.00 175.10 177.16 1smy n ILE 378 N 4.21 3.50 -0.21 -0.62 2.08 -1.26 -4.21 119.36 122.85 1smy n ILE 378 Ca -0.18 -3.03 -0.07 0.00 0.56 0.00 0.00 62.75 60.03 1smy n ILE 378 Cb 0.52 -1.22 0.03 0.00 -0.75 0.00 0.00 39.64 38.21 1smy n ILE 378 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1smy h ALA 379 N 2.18 0.76 -1.97 -1.39 0.00 -1.93 -3.45 119.26 113.47 1smy h ALA 379 Ca 0.55 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 1smy h ALA 379 Cb 0.66 -0.24 -0.19 0.00 0.00 0.00 0.00 17.79 18.02 1smy h ALA 379 CO 1.42 0.28 0.21 -1.83 0.00 0.00 0.00 179.25 179.33 1smy s GLU 380 N -5.83 1.01 -0.45 0.00 -1.05 -1.26 -5.06 118.70 106.06 1smy s GLU 380 Ca -0.13 0.31 -0.26 0.00 -0.15 0.00 0.00 54.97 54.74 1smy s GLU 380 Cb 0.13 0.48 -0.26 0.00 -0.44 0.00 0.00 34.13 34.04 1smy s GLU 380 CO 0.77 -0.30 1.78 0.00 0.95 0.00 0.00 175.26 178.47 1smy n ALA 381 N 1.05 2.06 -0.25 -0.84 0.00 -1.26 -4.32 120.51 116.95 1smy n ALA 381 Ca -0.18 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.26 1smy n ALA 381 Cb 0.57 -3.67 0.00 0.00 0.00 0.00 0.00 19.45 16.35 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 7.53 0.00 -1.96 0.00 -0.00 -1.26 -4.87 120.64 120.08 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 -2.65 -0.08 0.47 -1.84 0.00 -1.26 -4.88 107.32 97.08 1smy s GLY 383 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.04 1smy s GLY 383 CO 0.00 3.68 0.03 -0.62 0.00 0.00 0.00 173.10 176.19 1smy n VAL 384 N 8.07 0.00 -2.99 1.40 0.31 -1.26 0.24 118.33 124.10 1smy n VAL 384 Ca 0.43 -2.32 0.04 0.00 -0.01 0.00 0.00 64.34 62.48 1smy n VAL 384 Cb 0.46 0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 1smy n VAL 384 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1smy s VAL 385 N -2.82 -0.29 -0.46 2.52 0.11 0.13 -4.86 120.40 114.73 1smy s VAL 385 Ca 0.04 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.91 1smy s VAL 385 Cb 0.00 -0.16 0.04 0.00 -1.53 0.00 0.00 36.38 34.74 1smy s VAL 385 CO 0.03 0.00 0.51 -2.28 -3.33 0.00 0.00 175.10 170.02 1smy s HIS 386 N 2.49 3.13 0.00 1.54 5.65 -1.26 -0.93 115.29 125.91 1smy s HIS 386 Ca 0.21 -0.51 0.00 0.00 0.25 0.00 0.00 55.06 55.01 1smy s HIS 386 Cb -0.00 -3.20 0.00 0.00 -1.18 0.00 0.00 32.58 28.20 1smy s HIS 386 CO -0.19 -0.85 0.00 1.28 -0.65 0.00 0.00 174.74 174.34 1smy n LEU 387 N 5.77 0.00 -4.93 8.88 7.99 -1.26 -5.03 117.00 128.42 1smy n LEU 387 Ca -0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.65 1smy n LEU 387 Cb 0.46 0.00 0.10 0.00 -0.11 0.00 0.00 43.42 43.87 1smy n LEU 387 CO 0.50 0.00 0.70 -2.28 -1.51 0.00 0.00 177.39 174.79 1smy s HIS 388 N 0.93 2.60 -0.64 -1.77 2.46 -1.26 -4.95 115.29 112.66 1smy s HIS 388 Ca 0.00 0.44 0.04 0.00 0.47 0.00 0.00 55.06 56.02 1smy s HIS 388 Cb 0.00 -3.41 0.16 0.00 -0.13 0.00 0.00 32.58 29.19 1smy s HIS 388 CO 0.00 -1.73 0.42 -1.21 -2.47 0.00 0.00 174.74 169.74 1smy s GLU 389 N -5.43 2.32 0.33 2.88 0.41 -1.26 -4.61 118.70 113.34 1smy s GLU 389 Ca 0.63 -3.08 -0.29 0.00 -0.41 0.00 0.00 54.97 51.82 1smy s GLU 389 Cb -0.09 -3.41 -0.10 0.00 -1.78 0.00 0.00 34.13 28.75 1smy s GLU 389 CO 0.47 -1.22 1.28 -2.14 -0.49 0.00 0.00 175.26 173.16 1smy s PRO 390 N -1.03 4.39 -0.66 0.39 0.02 -1.26 -3.53 135.00 133.32 1smy s PRO 390 Ca 0.22 2.17 0.06 0.00 0.02 0.00 0.00 61.00 63.46 1smy s PRO 390 Cb -0.12 -3.08 0.23 0.00 0.02 0.00 0.00 34.50 31.55 1smy s PRO 390 CO -0.10 -0.14 0.71 0.00 -0.33 0.00 0.00 177.00 177.13 1smy n ALA 391 N 0.84 3.95 -2.62 -1.55 0.00 -0.90 -0.09 120.51 120.15 1smy n ALA 391 Ca -0.00 -4.73 -0.42 0.00 0.00 0.00 0.00 53.44 48.29 1smy n ALA 391 Cb 0.42 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.25 6.70 -0.17 0.00 0.15 -1.25 -3.28 113.70 113.61 1smy s SER 392 Ca 0.37 0.79 -0.27 0.00 0.70 0.00 0.00 55.95 57.53 1smy s SER 392 Cb 0.11 -2.40 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 1smy s SER 392 CO -0.04 -0.55 0.93 -0.63 1.20 0.00 0.00 173.24 174.16 1smy s ILE 393 N 2.85 4.80 -0.36 6.45 1.01 0.16 -3.57 121.20 132.54 1smy s ILE 393 Ca 0.32 1.85 -0.05 0.00 0.00 0.00 0.00 60.65 62.77 1smy s ILE 393 Cb -0.15 -4.23 0.07 0.00 0.01 0.00 0.00 42.46 38.16 1smy s ILE 393 CO 0.10 -0.03 0.14 -0.22 0.00 0.00 0.00 174.94 174.93 1smy s LEU 394 N 2.38 4.61 -1.05 2.97 0.20 -1.24 -2.42 118.68 124.14 1smy s LEU 394 Ca 0.43 -1.45 -0.24 0.00 0.69 0.00 0.00 54.13 53.56 1smy s LEU 394 Cb -0.17 -1.85 -0.09 0.00 -0.43 0.00 0.00 46.19 43.65 1smy s LEU 394 CO 0.12 -0.41 1.99 -0.69 -0.29 0.00 0.00 176.35 177.08 1smy s VAL 395 N 1.31 3.42 0.01 1.68 1.01 -0.95 -4.32 120.40 122.56 1smy s VAL 395 Ca 0.01 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 1smy s VAL 395 Cb -0.21 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.02 1smy s VAL 395 CO 0.00 -0.80 0.49 -0.69 0.00 0.00 0.00 175.10 174.09 1smy s VAL 396 N 11.63 0.03 -0.26 2.92 1.01 -1.26 -4.15 120.40 130.32 1smy s VAL 396 Ca 0.72 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 1smy s VAL 396 Cb -0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1smy s VAL 396 CO 0.08 -0.16 0.61 -0.75 0.00 0.00 0.00 175.10 174.88 1smy s LYS 397 N -1.89 4.08 -0.21 2.72 2.20 -1.23 -3.06 119.74 122.34 1smy s LYS 397 Ca -0.09 0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 55.87 1smy s LYS 397 Cb -0.02 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1smy s LYS 397 CO 0.02 -0.42 0.28 0.00 -0.36 0.00 0.00 175.35 174.88 1smy s ALA 398 N 2.48 3.59 0.08 3.13 0.00 -1.26 -2.84 121.76 126.93 1smy s ALA 398 Ca 0.25 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1smy s ALA 398 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1smy s ALA 398 CO 0.09 -0.20 0.04 1.03 0.00 0.00 0.00 175.76 176.72 1smy s ARG 399 N 1.09 2.73 0.00 0.00 0.52 -1.21 -5.01 118.95 117.07 1smy s ARG 399 Ca 0.14 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 1smy s ARG 399 Cb -0.14 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1smy s ARG 399 CO 0.06 0.56 0.00 0.28 0.02 0.00 0.00 175.30 176.22 1smy n VAL 400 N 0.56 0.00 -2.67 3.52 0.31 -1.25 -1.23 118.33 117.57 1smy n VAL 400 Ca -0.10 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.96 1smy n VAL 400 Cb 0.52 -0.42 -0.02 0.00 -0.91 0.00 0.00 33.84 33.01 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 -1.85 3.67 -2.09 3.52 4.02 -1.26 -4.55 117.16 118.62 1smy n TYR 401 Ca 0.00 -3.48 -0.35 0.00 -0.01 0.00 0.00 57.90 54.06 1smy n TYR 401 Cb 0.31 -0.25 0.02 0.00 -0.02 0.00 0.00 39.34 39.40 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 -3.51 3.12 0.26 -0.72 0.02 -1.26 -4.84 135.00 128.08 1smy s PRO 402 Ca 0.48 1.66 0.01 0.00 0.02 0.00 0.00 61.00 63.18 1smy s PRO 402 Cb 0.35 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.92 1smy s PRO 402 CO -0.17 -1.05 0.11 1.19 -0.33 0.00 0.00 177.00 176.76 1smy n PHE 403 N -1.57 -0.34 -3.92 6.54 3.01 -1.23 -2.98 117.46 116.97 1smy n PHE 403 Ca 0.12 -1.19 -0.35 0.00 1.01 0.00 0.00 57.45 57.05 1smy n PHE 403 Cb 0.51 -0.20 -0.14 0.00 -0.01 0.00 0.00 39.48 39.64 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 -3.02 3.28 -0.32 -1.08 -1.05 -1.26 -4.58 118.70 110.66 1smy s GLU 404 Ca 0.09 -0.69 0.01 0.00 -0.15 0.00 0.00 54.97 54.23 1smy s GLU 404 Cb -0.01 -2.99 0.10 0.00 -0.44 0.00 0.00 34.13 30.79 1smy s GLU 404 CO 0.05 -0.23 0.09 -0.51 0.95 0.00 0.00 175.26 175.61 1smy s ASP 405 N 1.45 4.28 0.00 0.83 1.01 -1.26 -5.05 116.67 117.94 1smy s ASP 405 Ca 0.05 -1.85 0.00 0.00 0.71 0.00 0.00 52.55 51.46 1smy s ASP 405 Cb -0.15 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.64 1smy s ASP 405 CO -0.04 -0.40 0.38 -0.90 0.21 0.00 0.00 175.17 174.43 1smy n ASP 406 N 4.60 0.00 0.09 0.27 5.75 -1.26 -4.17 116.55 121.82 1smy n ASP 406 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.72 1smy n ASP 406 Cb 0.42 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.47 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 -4.20 2.12 2.07 -2.04 -3.44 116.25 110.76 1smy h VAL 407 Ca 0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1smy h VAL 407 Cb 0.00 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.80 1smy h VAL 407 CO 0.00 0.00 0.03 -1.84 0.02 0.00 0.00 177.57 175.78 1smy n GLU 408 N -3.56 0.43 -2.17 1.57 0.28 -1.26 -5.02 120.64 110.92 1smy n GLU 408 Ca -0.04 -1.00 -0.42 0.00 -0.16 0.00 0.00 57.16 55.54 1smy n GLU 408 Cb 0.17 -0.22 -0.03 0.00 1.43 0.00 0.00 31.44 32.80 1smy n GLU 408 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1smy s VAL 409 N -0.85 3.60 -0.04 3.84 1.01 -1.26 -4.75 120.40 121.93 1smy s VAL 409 Ca 0.24 0.98 -0.01 0.00 0.00 0.00 0.00 61.98 63.18 1smy s VAL 409 Cb -0.01 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1smy s VAL 409 CO 0.16 -0.01 0.12 -1.20 0.00 0.00 0.00 175.10 174.17 1smy n SER 410 N 5.48 0.02 -4.70 3.32 7.64 -1.26 -4.85 113.62 119.26 1smy n SER 410 Ca 0.14 0.01 -0.39 0.00 1.01 0.00 0.00 58.87 59.63 1smy n SER 410 Cb 0.43 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 1smy n SER 410 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1smy s THR 411 N 0.40 5.07 0.00 0.44 2.01 -1.26 -4.80 115.64 117.50 1smy s THR 411 Ca 0.06 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.31 1smy s THR 411 Cb -0.06 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1smy s THR 411 CO 0.02 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 1smy n GLY 412 N 3.35 1.30 3.83 4.40 0.00 -1.26 -4.86 105.19 111.95 1smy n GLY 412 Ca -0.03 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 1smy n GLY 412 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1smy s ASP 413 N -4.00 -0.01 0.10 1.61 3.68 -1.26 -2.55 116.67 114.24 1smy s ASP 413 Ca 0.00 -0.97 0.02 0.00 2.13 0.00 0.00 52.55 53.73 1smy s ASP 413 Cb 0.00 0.73 0.02 0.00 -1.45 0.00 0.00 42.92 42.22 1smy s ASP 413 CO 0.00 -1.45 0.13 0.54 0.13 0.00 0.00 175.17 174.52 1smy n ARG 414 N -0.58 1.01 0.12 4.34 5.12 -0.71 -3.48 116.66 122.48 1smy n ARG 414 Ca -0.07 -0.57 -0.08 0.00 -1.93 0.00 0.00 57.85 55.20 1smy n ARG 414 Cb 0.60 -0.02 -0.04 0.00 -1.16 0.00 0.00 32.46 31.83 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 0.12 0.00 0.00 1.55 2.07 -1.80 -3.37 116.25 114.82 1smy h VAL 415 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1smy h VAL 415 Cb 0.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1smy h VAL 415 CO 0.08 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1smy n ALA 416 N -2.52 2.23 -1.00 1.67 0.00 -1.26 -4.73 120.51 114.90 1smy n ALA 416 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1smy n ALA 416 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.81 0.00 -1.70 0.00 -0.02 -1.26 -4.81 135.00 125.41 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 0.00 -0.23 -0.01 0.00 -0.02 0.00 0.00 33.50 33.23 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 0.78 2.49 -1.23 0.00 -1.26 -4.91 105.19 101.06 1smy n GLY 418 Ca 0.00 0.40 -0.28 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 0.03 2.78 0.33 1.61 1.01 -1.26 -1.74 116.67 119.42 1smy s ASP 419 Ca 0.61 -2.13 0.18 0.00 0.71 0.00 0.00 52.55 51.92 1smy s ASP 419 Cb -0.58 -0.30 0.20 0.00 1.01 0.00 0.00 42.92 43.24 1smy s ASP 419 CO 0.56 -0.30 1.52 0.58 0.21 0.00 0.00 175.17 177.73 1smy h VAL 420 N 5.02 0.61 -3.15 -1.27 2.07 -1.90 -3.47 116.25 114.15 1smy h VAL 420 Ca 0.06 -1.81 -0.58 0.00 0.82 0.00 0.00 66.70 65.19 1smy h VAL 420 Cb 0.98 2.27 0.15 0.00 -1.52 0.00 0.00 31.29 33.17 1smy h VAL 420 CO 0.25 0.34 -0.04 0.00 0.02 0.00 0.00 177.57 178.14 1smy n LEU 421 N -3.20 2.29 -4.79 2.57 -0.00 -1.06 -4.97 117.00 107.84 1smy n LEU 421 Ca 0.02 0.87 -0.30 0.00 -0.00 0.00 0.00 56.01 56.60 1smy n LEU 421 Cb 0.66 -1.30 0.09 0.00 -0.00 0.00 0.00 43.42 42.87 1smy n LEU 421 CO 0.38 -2.13 0.71 0.00 -0.00 0.00 0.00 177.39 176.35 1smy s ALA 422 N -1.49 2.19 1.00 1.47 0.00 -1.26 -5.03 121.76 118.65 1smy s ALA 422 Ca 0.69 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 1smy s ALA 422 Cb -0.48 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 19.55 1smy s ALA 422 CO 0.53 -1.78 0.24 -0.25 0.00 0.00 0.00 175.76 174.51 1smy n ASP 423 N -3.47 -0.11 -4.45 0.00 8.00 -1.26 -4.81 116.55 110.43 1smy n ASP 423 Ca 0.07 -1.04 -0.11 0.00 0.71 0.00 0.00 54.79 54.42 1smy n ASP 423 Cb 0.56 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 41.38 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 3.14 -0.37 0.00 0.44 0.00 -1.15 -4.12 105.19 103.13 1smy n GLY 424 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 5.79 -1.25 2.77 -0.02 0.00 -0.86 -4.82 105.19 106.80 1smy n GLY 425 Ca 0.32 0.60 -0.29 0.00 0.00 0.00 0.00 46.02 46.65 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 0.24 0.83 -0.04 1.61 2.20 -1.26 -4.28 119.74 119.05 1smy s LYS 426 Ca 0.00 -0.80 -0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1smy s LYS 426 Cb 0.00 -2.13 0.03 0.00 -1.51 0.00 0.00 37.83 34.21 1smy s LYS 426 CO 0.00 -0.79 0.00 0.08 -0.36 0.00 0.00 175.35 174.29 1smy s VAL 427 N 1.68 0.20 -0.42 4.02 1.01 -1.24 -4.89 120.40 120.76 1smy s VAL 427 Ca 0.03 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 1smy s VAL 427 Cb -0.17 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 35.91 1smy s VAL 427 CO -0.15 0.18 0.31 -1.59 0.00 0.00 0.00 175.10 173.85 1smy s LYS 428 N 1.32 2.95 0.00 2.72 -2.85 -1.25 -2.78 119.74 119.85 1smy s LYS 428 Ca -0.05 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 53.81 1smy s LYS 428 Cb -0.13 -3.99 0.00 0.00 -2.06 0.00 0.00 37.83 31.65 1smy s LYS 428 CO -0.02 -0.81 0.00 -1.13 0.10 0.00 0.00 175.35 173.48 1smy n SER 429 N 5.15 0.00 0.00 0.03 3.41 -1.19 -5.03 113.62 115.99 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 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.15 4.04 8.00 -1.26 -4.89 116.55 122.59 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 0.46 0.00 -0.02 0.00 0.00 41.12 41.56 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 1.13 -3.89 2.53 3.04 -1.99 -3.42 116.25 113.66 1smy h VAL 431 Ca 0.00 -0.56 -0.51 0.00 -1.01 0.00 0.00 66.70 64.62 1smy h VAL 431 Cb 0.00 1.13 0.05 0.00 -2.01 0.00 0.00 31.29 30.46 1smy h VAL 431 CO 0.00 0.17 0.56 -0.72 -1.01 0.00 0.00 177.57 176.57 1smy s TYR 432 N -4.84 3.16 0.00 3.17 1.13 -1.23 -3.74 117.35 114.99 1smy s TYR 432 Ca -0.05 1.52 0.00 0.00 -1.41 0.00 0.00 57.07 57.13 1smy s TYR 432 Cb 0.16 -3.50 0.00 0.00 -1.10 0.00 0.00 41.96 37.52 1smy s TYR 432 CO 0.71 -1.41 0.81 0.41 -2.51 0.00 0.00 175.55 173.57 1smy n GLY 433 N 0.83 1.32 3.05 5.49 0.00 0.10 -3.17 105.19 112.81 1smy n GLY 433 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.66 0.64 -0.16 1.61 1.81 -1.05 -3.65 118.95 117.48 1smy s ARG 434 Ca 0.00 -0.53 -0.03 0.00 -1.72 0.00 0.00 55.73 53.46 1smy s ARG 434 Cb 0.00 -0.56 0.05 0.00 -0.45 0.00 0.00 34.95 33.99 1smy s ARG 434 CO 0.00 0.14 0.03 0.08 -0.68 0.00 0.00 175.30 174.87 1smy s VAL 435 N -0.70 0.44 0.25 3.52 1.01 -1.25 0.11 120.40 123.78 1smy s VAL 435 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1smy s VAL 435 Cb -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1smy s VAL 435 CO 0.00 -0.08 0.46 -1.61 0.00 0.00 0.00 175.10 173.87 1smy s GLU 436 N 1.91 3.54 -0.03 2.72 2.02 0.24 -2.03 118.70 127.07 1smy s GLU 436 Ca 0.01 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.78 1smy s GLU 436 Cb -0.16 -2.76 -0.00 0.00 0.10 0.00 0.00 34.13 31.31 1smy s GLU 436 CO -0.07 0.31 -0.16 0.08 0.02 0.00 0.00 175.26 175.44 1smy s VAL 437 N -2.00 1.31 -0.30 2.63 1.01 -1.26 -1.22 120.40 120.57 1smy s VAL 437 Ca 0.40 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1smy s VAL 437 Cb -0.11 -1.12 0.09 0.00 0.00 0.00 0.00 36.38 35.24 1smy s VAL 437 CO 0.30 0.38 0.05 -0.62 0.00 0.00 0.00 175.10 175.22 1smy s ASP 438 N -0.03 4.19 0.00 3.32 2.15 -1.21 -4.79 116.67 120.30 1smy s ASP 438 Ca -0.01 -1.69 0.16 0.00 0.43 0.00 0.00 52.55 51.44 1smy s ASP 438 Cb -0.10 -1.15 0.97 0.00 -0.30 0.00 0.00 42.92 42.33 1smy s ASP 438 CO 0.01 -0.37 1.38 0.18 -0.17 0.00 0.00 175.17 176.20 1smy n LEU 439 N 4.63 0.00 0.00 -1.34 4.77 -1.26 -3.60 117.00 120.21 1smy n LEU 439 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1smy n LEU 439 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1smy n LEU 439 CO 0.16 0.00 0.10 0.52 -1.33 0.00 0.00 177.39 176.84 1smy n VAL 440 N -0.97 0.00 -3.28 4.08 0.31 -1.26 -4.75 118.33 112.45 1smy n VAL 440 Ca 0.12 0.66 -0.25 0.00 -0.01 0.00 0.00 64.34 64.87 1smy n VAL 440 Cb 0.06 -1.60 -0.01 0.00 -0.91 0.00 0.00 33.84 31.38 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 -0.39 3.50 -1.03 5.55 6.06 -1.25 -4.92 118.95 126.46 1smy s ARG 441 Ca 0.00 -0.24 -0.07 0.00 -2.50 0.00 0.00 55.73 52.92 1smy s ARG 441 Cb 0.00 -2.63 -0.06 0.00 0.06 0.00 0.00 34.95 32.32 1smy s ARG 441 CO 0.00 0.11 2.24 0.09 -2.50 0.00 0.00 175.30 175.24 1smy n ASN 442 N -1.78 5.50 -4.42 -2.12 3.02 -1.26 -4.74 115.26 109.45 1smy n ASN 442 Ca -0.04 -2.37 -0.45 0.00 -0.03 0.00 0.00 54.58 51.69 1smy n ASN 442 Cb 0.56 -1.17 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 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 3.24 5.01 -0.88 2.41 1.01 -1.24 -3.91 120.40 126.04 1smy s VAL 443 Ca 0.45 -1.99 -0.25 0.00 0.00 0.00 0.00 61.98 60.19 1smy s VAL 443 Cb 0.11 -4.73 0.04 0.00 0.00 0.00 0.00 36.38 31.81 1smy s VAL 443 CO -0.04 -1.42 1.35 0.54 0.00 0.00 0.00 175.10 175.54 1smy s VAL 444 N 1.85 3.87 -0.04 2.92 0.11 -0.37 -3.28 120.40 125.46 1smy s VAL 444 Ca 0.31 -0.26 -0.30 0.00 -2.93 0.00 0.00 61.98 58.80 1smy s VAL 444 Cb -0.06 -4.98 -0.05 0.00 -1.53 0.00 0.00 36.38 29.76 1smy s VAL 444 CO -0.08 -1.88 1.57 -0.13 -3.33 0.00 0.00 175.10 171.25 1smy s ARG 445 N 5.22 4.21 -0.34 1.54 3.00 -0.36 -3.35 118.95 128.87 1smy s ARG 445 Ca 0.40 2.11 0.04 0.00 0.00 0.00 0.00 55.73 58.28 1smy s ARG 445 Cb -0.04 -3.83 0.10 0.00 0.00 0.00 0.00 34.95 31.18 1smy s ARG 445 CO 0.02 -0.77 0.05 0.08 0.00 0.00 0.00 175.30 174.68 1smy s VAL 446 N 3.48 2.15 1.08 3.52 1.01 -1.13 0.79 120.40 131.30 1smy s VAL 446 Ca 0.70 -2.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.27 1smy s VAL 446 Cb -0.33 -2.59 0.23 0.00 0.00 0.00 0.00 36.38 33.70 1smy s VAL 446 CO 0.28 -0.59 1.13 0.68 0.00 0.00 0.00 175.10 176.59 1smy s VAL 447 N 0.97 1.81 -0.11 2.92 -7.23 0.31 -3.57 120.40 115.51 1smy s VAL 447 Ca 0.10 0.00 0.10 0.00 -1.81 0.00 0.00 61.98 60.37 1smy s VAL 447 Cb -0.19 -2.58 -0.13 0.00 0.56 0.00 0.00 36.38 34.04 1smy s VAL 447 CO -0.10 0.00 0.04 -1.84 -0.31 0.00 0.00 175.10 172.89 1smy n GLU 448 N -4.36 2.24 -1.71 4.82 0.00 -1.26 -2.53 120.64 117.83 1smy n GLU 448 Ca 0.10 -0.01 -0.43 0.00 0.00 0.00 0.00 57.16 56.82 1smy n GLU 448 Cb 0.59 -1.28 -0.03 0.00 0.00 0.00 0.00 31.44 30.72 1smy n GLU 448 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1smy n SER 449 N -2.40 3.77 -2.43 -1.84 2.88 -1.20 -0.72 113.62 111.67 1smy n SER 449 Ca -0.18 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1smy n SER 449 Cb 0.85 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1smy n SER 449 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1smy n TYR 450 N 3.80 0.00 -0.70 0.66 9.36 -1.25 -1.96 117.16 127.08 1smy n TYR 450 Ca 0.16 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.15 1smy n TYR 450 Cb 0.33 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.02 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 0.00 3.85 -4.55 2.98 8.00 -1.26 -4.84 116.55 120.73 1smy n ASP 451 Ca 0.00 -2.33 -0.36 0.00 0.71 0.00 0.00 54.79 52.80 1smy n ASP 451 Cb 0.00 -1.01 -0.03 0.00 -0.02 0.00 0.00 41.12 40.06 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 3.92 3.40 -0.48 0.53 1.10 -1.26 -4.47 121.20 123.94 1smy s ILE 452 Ca 0.37 0.08 -0.27 0.00 -0.51 0.00 0.00 60.65 60.33 1smy s ILE 452 Cb 0.10 -4.03 -0.05 0.00 0.15 0.00 0.00 42.46 38.63 1smy s ILE 452 CO 0.00 -0.99 2.14 -0.62 -2.11 0.00 0.00 174.94 173.36 1smy s ASP 453 N 7.77 4.98 -0.21 4.50 -1.08 -0.87 -4.90 116.67 126.85 1smy s ASP 453 Ca 0.65 0.95 -0.02 0.00 -0.52 0.00 0.00 52.55 53.61 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 0.15 -2.49 -0.09 0.00 0.52 0.00 0.00 175.17 173.27 1smy s ALA 454 N 10.18 2.66 0.06 3.66 0.00 -1.26 -1.56 121.76 135.49 1smy s ALA 454 Ca 0.86 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1smy s ALA 454 Cb -0.18 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 1smy s ALA 454 CO 0.26 -0.44 -0.05 1.03 0.00 0.00 0.00 175.76 176.57 1smy s ARG 455 N 1.41 0.60 0.04 0.00 0.52 -1.25 -4.96 118.95 115.30 1smy s ARG 455 Ca 0.05 -1.07 -0.06 0.00 -0.52 0.00 0.00 55.73 54.13 1smy s ARG 455 Cb -0.14 0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.34 1smy s ARG 455 CO -0.06 -0.05 0.12 0.00 0.02 0.00 0.00 175.30 175.32 1smy s MET 456 N -3.12 0.60 0.00 3.54 0.23 -1.26 -1.61 119.30 117.68 1smy s MET 456 Ca 0.02 -0.71 0.00 0.00 -1.03 0.00 0.00 55.69 53.96 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 -0.06 -0.16 0.00 0.41 -2.03 0.00 0.00 175.02 173.19 1smy n GLY 457 N 0.78 -1.28 0.58 3.16 0.00 -1.00 -4.29 105.19 103.15 1smy n GLY 457 Ca -0.19 -1.60 0.38 0.00 0.00 0.00 0.00 46.02 44.61 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 3.24 0.19 4.61 0.00 -1.80 -1.02 119.26 124.48 1smy h ALA 458 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1smy h ALA 458 Cb 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1smy h ALA 458 CO 0.00 -1.86 -0.29 1.49 0.00 0.00 0.00 179.25 178.59 1smy h GLU 459 N 0.00 -0.48 -0.73 0.00 4.81 -1.75 0.72 114.58 117.15 1smy h GLU 459 Ca 0.64 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 60.06 1smy h GLU 459 Cb 2.97 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 32.34 1smy h GLU 459 CO -0.01 -0.32 0.07 0.00 -0.73 0.00 0.00 179.01 178.02 1smy h ALA 460 N -1.16 0.83 -0.48 2.92 0.00 -1.37 -0.48 119.26 119.52 1smy h ALA 460 Ca -0.02 0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1smy h ALA 460 Cb 0.46 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1smy h ALA 460 CO -0.09 -0.40 -0.17 0.82 0.00 0.00 0.00 179.25 179.42 1smy h ILE 461 N 0.16 1.27 -0.47 0.00 1.08 -1.48 -2.40 117.51 115.67 1smy h ILE 461 Ca 0.40 -1.32 0.07 0.00 -0.39 0.00 0.00 64.86 63.62 1smy h ILE 461 Cb 0.71 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.47 1smy h ILE 461 CO -0.59 0.46 0.15 -0.61 -0.69 0.00 0.00 178.15 176.86 1smy h GLN 462 N 0.83 0.30 0.16 2.37 4.15 0.21 -1.28 115.11 121.85 1smy h GLN 462 Ca 0.12 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.54 1smy h GLN 462 Cb 0.73 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 1smy h GLN 462 CO 0.06 0.20 -0.38 1.96 -1.93 0.00 0.00 178.83 178.73 1smy h GLN 463 N 0.31 -0.61 -0.29 1.69 1.08 -1.08 -2.54 115.11 113.66 1smy h GLN 463 Ca 0.23 0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.54 1smy h GLN 463 Cb 0.26 0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 27.76 1smy h GLN 463 CO -0.25 -0.41 -0.20 -0.07 -0.95 0.00 0.00 178.83 176.95 1smy h LEU 464 N -0.64 -0.65 -1.37 1.46 3.38 -1.00 -1.97 115.31 114.52 1smy h LEU 464 Ca 0.02 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1smy h LEU 464 Cb 0.65 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1smy h LEU 464 CO -0.20 -0.23 0.47 -0.07 0.09 0.00 0.00 178.44 178.50 1smy h LEU 465 N -0.17 0.68 -0.16 1.67 3.38 -1.09 -2.83 115.31 116.78 1smy h LEU 465 Ca 0.15 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1smy h LEU 465 Cb 0.41 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1smy h LEU 465 CO -0.39 0.45 -0.20 0.50 0.09 0.00 0.00 178.44 178.88 1smy h LYS 466 N 0.78 0.42 -3.26 1.13 1.63 -0.95 -3.29 116.57 113.03 1smy h LYS 466 Ca 0.30 -0.24 -0.63 0.00 -0.85 0.00 0.00 60.65 59.23 1smy h LYS 466 Cb 0.20 0.02 0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1smy h LYS 466 CO -0.10 0.82 3.52 0.39 -3.45 0.00 0.00 179.45 180.63 1smy n GLU 467 N -4.47 3.26 -3.61 1.90 1.02 -0.91 -4.80 120.64 113.03 1smy n GLU 467 Ca -0.06 -2.13 -0.19 0.00 -0.02 0.00 0.00 57.16 54.76 1smy n GLU 467 Cb 0.41 -2.82 -0.15 0.00 -0.02 0.00 0.00 31.44 28.85 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 0.49 -0.03 -1.10 -4.62 1.43 -1.24 -4.95 118.68 108.67 1smy s LEU 468 Ca 0.61 0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.61 1smy s LEU 468 Cb 0.16 0.23 0.20 0.00 0.03 0.00 0.00 46.19 46.81 1smy s LEU 468 CO -0.05 -0.28 1.23 -0.62 0.23 0.00 0.00 176.35 176.85 1smy s ASP 469 N 2.28 7.03 0.28 2.29 -1.08 -1.26 -4.89 116.67 121.32 1smy s ASP 469 Ca 0.04 -2.96 0.06 0.00 -0.52 0.00 0.00 52.55 49.17 1smy s ASP 469 Cb -0.14 -2.33 0.80 0.00 -1.46 0.00 0.00 42.92 39.79 1smy s ASP 469 CO -0.08 -0.66 1.36 0.18 0.52 0.00 0.00 175.17 176.49 1smy n LEU 470 N 4.86 0.00 -0.19 -1.34 4.77 -1.26 0.18 117.00 124.03 1smy n LEU 470 Ca 0.29 1.47 -0.03 0.00 -0.03 0.00 0.00 56.01 57.71 1smy n LEU 470 Cb 0.43 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1smy n LEU 470 CO 0.53 -1.53 0.70 -0.33 -1.33 0.00 0.00 177.39 175.44 1smy h GLU 471 N 0.00 -0.07 0.17 3.23 4.39 -1.93 0.51 114.58 120.87 1smy h GLU 471 Ca 0.58 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.30 1smy h GLU 471 Cb 1.31 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.94 1smy h GLU 471 CO -0.78 -0.05 -0.42 0.00 -1.16 0.00 0.00 179.01 176.60 1smy h ALA 472 N 1.36 -0.77 0.00 3.43 0.00 -0.69 0.84 119.26 123.43 1smy h ALA 472 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1smy h ALA 472 Cb 0.48 0.69 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1smy h ALA 472 CO -0.62 -1.00 0.00 1.25 0.00 0.00 0.00 179.25 178.88 1smy h LEU 473 N -0.68 0.00 0.09 0.00 5.85 -1.19 0.23 115.31 119.61 1smy h LEU 473 Ca 0.01 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.51 1smy h LEU 473 Cb 0.69 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.74 1smy h LEU 473 CO -0.21 0.00 -0.92 -0.08 -0.34 0.00 0.00 178.44 176.88 1smy h GLU 474 N 0.00 0.46 -0.00 1.25 4.22 0.22 -2.70 114.58 118.03 1smy h GLU 474 Ca 0.00 -0.62 -0.25 0.00 0.08 0.00 0.00 59.36 58.57 1smy h GLU 474 Cb 0.19 0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1smy h GLU 474 CO 0.00 1.26 -1.00 0.87 -2.18 0.00 0.00 179.01 177.96 1smy h LYS 475 N -0.04 0.56 -0.41 1.92 1.57 -0.02 -2.21 116.57 117.95 1smy h LYS 475 Ca -0.14 -0.61 0.03 0.00 -1.87 0.00 0.00 60.65 58.06 1smy h LYS 475 Cb 1.65 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 34.10 1smy h LYS 475 CO 0.18 1.22 0.21 0.93 -0.57 0.00 0.00 179.45 181.42 1smy h GLU 476 N 0.32 0.42 -0.50 3.15 5.08 -0.69 -1.68 114.58 120.68 1smy h GLU 476 Ca -0.11 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1smy h GLU 476 Cb 1.64 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 1smy h GLU 476 CO 0.19 0.28 0.00 -0.07 -1.00 0.00 0.00 179.01 178.40 1smy h LEU 477 N 0.43 0.80 -0.61 1.33 3.38 -1.53 -0.00 115.31 119.11 1smy h LEU 477 Ca 0.17 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.07 1smy h LEU 477 Cb 0.06 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.49 1smy h LEU 477 CO -0.11 0.87 -0.06 -0.07 0.09 0.00 0.00 178.44 179.16 1smy h LEU 478 N 0.78 -0.38 0.21 1.67 3.38 -0.66 1.09 115.31 121.40 1smy h LEU 478 Ca 0.15 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1smy h LEU 478 Cb 0.47 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1smy h LEU 478 CO 0.02 -0.15 -0.10 -0.33 0.09 0.00 0.00 178.44 177.97 1smy h GLU 479 N 0.07 -0.27 -0.89 1.13 4.39 -1.08 -2.95 114.58 114.97 1smy h GLU 479 Ca 0.31 0.02 0.17 0.00 0.34 0.00 0.00 59.36 60.20 1smy h GLU 479 Cb 0.49 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.14 1smy h GLU 479 CO -0.56 0.07 0.58 1.49 -1.16 0.00 0.00 179.01 179.43 1smy h GLU 480 N -0.66 0.54 0.58 2.33 4.57 -0.19 -2.40 114.58 119.34 1smy h GLU 480 Ca -0.03 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1smy h GLU 480 Cb 0.47 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1smy h GLU 480 CO 0.05 0.36 -0.28 0.52 -1.18 0.00 0.00 179.01 178.48 1smy h MET 481 N 0.56 -0.75 -0.01 1.92 2.86 0.12 -3.35 114.93 116.29 1smy h MET 481 Ca 0.46 0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.97 1smy h MET 481 Cb 0.93 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1smy h MET 481 CO -0.20 -0.50 -0.82 -0.22 1.06 0.00 0.00 176.91 176.24 1smy h LYS 482 N -1.14 0.16 0.00 1.72 3.11 -1.42 -3.42 116.57 115.58 1smy h LYS 482 Ca -0.08 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 1smy h LYS 482 Cb 0.59 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1smy h LYS 482 CO 0.13 0.89 -0.19 0.45 -2.81 0.00 0.00 179.45 177.92 1smy h HIS 483 N 0.10 0.00 -2.30 1.91 3.86 -1.60 -3.48 115.15 113.64 1smy h HIS 483 Ca -0.03 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.81 1smy h HIS 483 Cb 1.42 0.00 0.20 0.00 1.06 0.00 0.00 27.41 30.09 1smy h HIS 483 CO 0.02 0.00 -0.66 -2.30 0.86 0.00 0.00 177.93 175.85 1smy n PRO 484 N -3.36 -2.30 -0.99 2.45 -0.02 -1.26 -4.96 135.00 124.56 1smy n PRO 484 Ca -0.03 -0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 60.50 1smy n PRO 484 Cb 0.10 -1.67 0.18 0.00 -0.02 0.00 0.00 33.50 32.09 1smy n PRO 484 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1smy s SER 485 N -2.06 2.45 0.16 2.55 1.04 -1.26 -4.78 113.70 111.80 1smy s SER 485 Ca 0.51 1.42 -0.24 0.00 0.48 0.00 0.00 55.95 58.12 1smy s SER 485 Cb -0.11 -2.10 0.02 0.00 0.10 0.00 0.00 66.02 63.93 1smy s SER 485 CO 0.54 -3.27 1.39 0.54 0.98 0.00 0.00 173.24 173.42 1smy n ARG 486 N -4.29 -0.34 0.00 4.02 5.12 -1.26 -3.18 116.66 116.73 1smy n ARG 486 Ca 0.06 1.37 0.00 0.00 -1.93 0.00 0.00 57.85 57.34 1smy n ARG 486 Cb 0.56 -2.01 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 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 -3.38 0.00 -0.05 7.54 0.00 -1.26 0.55 120.51 123.91 1smy n ALA 487 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.65 1smy n ALA 487 Cb 0.27 0.02 0.61 0.00 0.00 0.00 0.00 19.45 20.35 1smy n ALA 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smy h ARG 488 N 0.00 0.17 0.00 0.00 3.08 -1.95 0.01 114.38 115.69 1smy h ARG 488 Ca 0.00 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1smy h ARG 488 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1smy h ARG 488 CO 0.00 0.11 -0.58 0.07 -1.07 0.00 0.00 179.97 178.50 1smy h ARG 489 N 0.18 0.00 -0.11 0.04 0.11 -1.47 -1.47 114.38 111.65 1smy h ARG 489 Ca 0.28 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.32 1smy h ARG 489 Cb 0.86 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.93 1smy h ARG 489 CO -0.04 0.58 -0.06 0.00 0.10 0.00 0.00 179.97 180.54 1smy h ALA 490 N 1.42 0.16 -0.74 0.08 0.00 0.21 -1.90 119.26 118.48 1smy h ALA 490 Ca -0.01 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1smy h ALA 490 Cb 1.18 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1smy h ALA 490 CO 0.08 -0.05 0.44 -0.22 0.00 0.00 0.00 179.25 179.49 1smy h LYS 491 N -0.13 0.80 -0.81 0.00 3.64 -1.36 -2.31 116.57 116.40 1smy h LYS 491 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1smy h LYS 491 Cb 0.53 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1smy h LYS 491 CO 0.02 0.53 0.52 0.00 -2.27 0.00 0.00 179.45 178.25 1smy h ALA 492 N 1.35 1.40 -0.33 5.00 0.00 -1.06 -1.27 119.26 124.35 1smy h ALA 492 Ca 0.32 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1smy h ALA 492 Cb 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1smy h ALA 492 CO -0.16 0.55 -0.19 -0.09 0.00 0.00 0.00 179.25 179.36 1smy h ARG 493 N 1.11 0.71 0.00 0.00 2.43 -0.79 0.86 114.38 118.69 1smy h ARG 493 Ca 0.30 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1smy h ARG 493 Cb -0.11 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1smy h ARG 493 CO -0.06 0.93 -0.01 0.87 -1.51 0.00 0.00 179.97 180.18 1smy h LYS 494 N 0.48 0.00 -0.00 0.20 1.57 -1.21 -1.69 116.57 115.93 1smy h LYS 494 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1smy h LYS 494 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1smy h LYS 494 CO 0.05 0.01 -0.72 -2.13 -0.57 0.00 0.00 179.45 176.10 1smy n ARG 495 N -3.13 0.03 0.04 3.15 0.63 -0.51 -4.16 116.66 112.73 1smy n ARG 495 Ca -0.00 -0.02 -0.21 0.00 -0.92 0.00 0.00 57.85 56.69 1smy n ARG 495 Cb 0.25 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.52 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 0.06 0.48 -0.51 6.15 5.85 0.10 -3.35 115.31 124.10 1smy h LEU 496 Ca 0.00 -0.85 0.09 0.00 0.84 0.00 0.00 57.88 57.96 1smy h LEU 496 Cb 0.50 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 1smy h LEU 496 CO 0.00 1.74 -0.37 -0.33 -0.34 0.00 0.00 178.44 179.14 1smy h GLU 497 N 0.08 -0.22 -0.44 1.25 5.08 -1.64 0.27 114.58 118.96 1smy h GLU 497 Ca -0.36 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1smy h GLU 497 Cb 2.06 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.34 1smy h GLU 497 CO 0.14 -0.15 0.09 -0.39 -1.00 0.00 0.00 179.01 177.70 1smy h VAL 498 N -0.23 1.24 0.00 3.13 -1.51 -1.78 0.32 116.25 117.42 1smy h VAL 498 Ca 0.19 -0.86 -0.01 0.00 -1.23 0.00 0.00 66.70 64.79 1smy h VAL 498 Cb 0.56 0.94 -0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1smy h VAL 498 CO -0.63 0.30 -0.06 0.58 -1.23 0.00 0.00 177.57 176.54 1smy h VAL 499 N 0.59 0.46 0.09 7.19 2.07 -1.46 -1.26 116.25 123.93 1smy h VAL 499 Ca 0.14 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1smy h VAL 499 Cb 0.35 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1smy h VAL 499 CO 0.01 0.06 -0.04 0.03 0.02 0.00 0.00 177.57 177.64 1smy h ARG 500 N 0.00 -0.12 -0.61 1.57 2.47 0.16 -2.80 114.38 115.06 1smy h ARG 500 Ca -0.00 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.80 1smy h ARG 500 Cb 0.18 0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 28.42 1smy h ARG 500 CO 0.01 0.16 -0.50 0.00 0.56 0.00 0.00 179.97 180.19 1smy h ALA 501 N -0.73 -0.50 0.07 0.04 0.00 -0.54 1.12 119.26 118.72 1smy h ALA 501 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1smy h ALA 501 Cb 0.33 1.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1smy h ALA 501 CO 0.02 -0.92 -0.46 0.74 0.00 0.00 0.00 179.25 178.63 1smy h PHE 502 N -0.24 -1.33 -0.44 0.00 0.05 -1.40 -1.16 116.94 112.42 1smy h PHE 502 Ca 0.15 0.04 0.13 0.00 3.82 0.00 0.00 57.97 62.10 1smy h PHE 502 Cb 0.55 0.57 -0.02 0.00 2.00 0.00 0.00 35.95 39.05 1smy h PHE 502 CO -0.78 -0.51 0.36 -0.07 -0.18 0.00 0.00 178.31 177.14 1smy h LEU 503 N -0.62 0.00 0.00 1.54 3.38 -1.00 -3.30 115.31 115.30 1smy h LEU 503 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1smy h LEU 503 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 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 -4.16 0.00 -0.14 -0.43 8.00 0.38 -4.76 116.55 115.44 1smy n ASP 504 Ca 0.08 0.00 0.28 0.00 0.71 0.00 0.00 54.79 55.86 1smy n ASP 504 Cb 0.55 0.00 0.71 0.00 -0.02 0.00 0.00 41.12 42.36 1smy n ASP 504 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1smy h SER 505 N 0.00 0.00 -2.44 -2.24 0.02 -1.79 -3.43 113.55 103.67 1smy h SER 505 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1smy h SER 505 Cb 0.00 0.00 0.23 0.00 0.14 0.00 0.00 62.40 62.77 1smy h SER 505 CO 0.00 0.00 -1.31 0.61 -1.14 0.00 0.00 176.83 174.99 1smy n GLY 506 N -1.66 -2.83 3.88 -3.77 0.00 -0.87 -4.90 105.19 95.04 1smy n GLY 506 Ca 0.17 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.61 4.08 -0.09 1.61 0.02 -1.26 -4.72 114.94 112.97 1smy s ASN 507 Ca 0.50 0.75 -0.30 0.00 -1.02 0.00 0.00 52.86 52.80 1smy s ASN 507 Cb -0.13 -1.20 -0.02 0.00 0.02 0.00 0.00 41.25 39.92 1smy s ASN 507 CO 0.70 -2.17 1.03 -0.60 0.02 0.00 0.00 177.10 176.08 1smy s ARG 508 N -5.55 4.42 0.00 -0.60 6.06 -1.26 -4.68 118.95 117.33 1smy s ARG 508 Ca 0.64 1.43 0.00 0.00 -2.50 0.00 0.00 55.73 55.30 1smy s ARG 508 Cb -0.11 -3.54 0.00 0.00 0.06 0.00 0.00 34.95 31.36 1smy s ARG 508 CO 0.50 -0.32 0.54 -0.35 -2.50 0.00 0.00 175.30 173.17 1smy n PRO 509 N 4.99 0.00 0.00 5.12 -0.04 -1.26 -3.45 135.00 140.36 1smy n PRO 509 Ca 0.09 0.13 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1smy n PRO 509 Cb 0.48 -1.55 0.74 0.00 -0.04 0.00 0.00 33.50 33.13 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 -1.04 0.66 0.06 0.54 4.71 -1.26 -3.44 120.64 120.87 1smy n GLU 510 Ca 0.00 0.02 0.12 0.00 -0.01 0.00 0.00 57.16 57.29 1smy n GLU 510 Cb 0.05 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.17 1smy n GLU 510 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1smy n TRP 511 N -1.11 0.55 0.33 -0.32 5.03 -1.22 -3.82 117.44 116.87 1smy n TRP 511 Ca 0.17 0.16 0.19 0.00 3.03 0.00 0.00 57.50 61.05 1smy n TRP 511 Cb 0.14 -0.65 1.01 0.00 -1.03 0.00 0.00 31.31 30.77 1smy n TRP 511 CO 0.00 0.00 0.00 0.52 -0.03 0.00 0.00 177.69 178.18 1smy h MET 512 N 0.00 0.00 -6.78 -0.99 2.86 -1.86 -3.41 114.93 104.76 1smy h MET 512 Ca 0.00 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.16 1smy h MET 512 Cb 0.73 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1smy h MET 512 CO 0.00 0.00 0.28 0.42 1.06 0.00 0.00 176.91 178.67 1smy s ILE 513 N -4.09 4.29 -0.16 -1.22 1.01 -1.25 -3.88 121.20 115.91 1smy s ILE 513 Ca -0.04 1.71 0.01 0.00 0.00 0.00 0.00 60.65 62.32 1smy s ILE 513 Cb 0.11 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1smy s ILE 513 CO 0.34 0.20 -0.16 -0.76 0.00 0.00 0.00 174.94 174.56 1smy s LEU 514 N -1.93 1.82 0.00 2.97 1.43 -0.61 -4.87 118.68 117.50 1smy s LEU 514 Ca 0.47 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1smy s LEU 514 Cb -0.19 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1smy s LEU 514 CO 0.24 -0.04 0.14 -1.84 0.23 0.00 0.00 176.35 175.09 1smy n GLU 515 N 4.71 1.73 -3.67 1.70 0.28 -1.26 -1.16 120.64 122.96 1smy n GLU 515 Ca -0.18 -0.14 -0.30 0.00 -0.16 0.00 0.00 57.16 56.38 1smy n GLU 515 Cb 0.50 -0.54 -0.15 0.00 1.43 0.00 0.00 31.44 32.68 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 -0.29 1.33 -0.28 -1.84 0.00 -1.26 -1.73 121.76 117.70 1smy s ALA 516 Ca 0.00 -1.60 -0.24 0.00 0.00 0.00 0.00 51.96 50.12 1smy s ALA 516 Cb 0.00 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.53 1smy s ALA 516 CO 0.00 -1.71 0.81 0.08 0.00 0.00 0.00 175.76 174.94 1smy s VAL 517 N 1.63 4.81 0.63 0.00 1.01 -0.89 -4.90 120.40 122.69 1smy s VAL 517 Ca 0.10 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.28 1smy s VAL 517 Cb -0.18 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1smy s VAL 517 CO -0.25 -0.17 1.17 -2.84 0.00 0.00 0.00 175.10 173.01 1smy s PRO 518 N 2.91 2.81 -0.20 2.72 0.02 -1.26 -0.36 135.00 141.64 1smy s PRO 518 Ca 0.33 1.66 -0.01 0.00 0.02 0.00 0.00 61.00 63.00 1smy s PRO 518 Cb -0.15 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1smy s PRO 518 CO 0.10 -1.29 -0.12 0.08 -0.33 0.00 0.00 177.00 175.44 1smy s VAL 519 N -1.91 2.70 0.40 3.83 1.01 0.35 -4.78 120.40 122.00 1smy s VAL 519 Ca 0.73 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 1smy s VAL 519 Cb -0.26 -2.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.81 1smy s VAL 519 CO 0.37 0.47 1.42 -0.11 0.00 0.00 0.00 175.10 177.24 1smy n LEU 520 N 4.70 4.58 -3.35 3.92 7.94 -1.26 -2.38 117.00 131.15 1smy n LEU 520 Ca -0.19 1.18 -0.31 0.00 -1.11 0.00 0.00 56.01 55.58 1smy n LEU 520 Cb 0.50 -1.58 0.02 0.00 0.53 0.00 0.00 43.42 42.89 1smy n LEU 520 CO 0.27 -0.13 -0.70 -2.65 -1.11 0.00 0.00 177.39 173.08 1smy n PRO 521 N 0.24 0.00 0.10 1.96 -0.02 -1.24 -4.82 135.00 131.22 1smy n PRO 521 Ca 0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.47 1smy n PRO 521 Cb 0.39 -0.80 -0.02 0.00 -0.02 0.00 0.00 33.50 33.05 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 -0.26 -0.29 -0.36 0.52 0.11 -1.73 -3.22 132.00 126.76 1smy h PRO 522 Ca -0.34 0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.90 1smy h PRO 522 Cb 1.13 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1smy h PRO 522 CO 0.29 -0.19 0.53 0.22 -0.21 0.00 0.00 178.00 178.64 1smy h ASP 523 N -0.76 0.00 0.87 -2.05 3.58 -1.84 1.12 116.42 117.34 1smy h ASP 523 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1smy h ASP 523 Cb 0.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1smy h ASP 523 CO 0.05 0.00 -0.18 0.18 -2.88 0.00 0.00 179.24 176.41 1smy n LEU 524 N -3.40 0.24 -2.75 2.28 4.77 -1.24 -3.66 117.00 113.24 1smy n LEU 524 Ca 0.07 0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 56.18 1smy n LEU 524 Cb 0.68 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1smy n LEU 524 CO 0.22 0.02 0.02 -2.11 -1.33 0.00 0.00 177.39 174.22 1smy n ARG 525 N -1.58 2.32 -1.13 3.23 1.85 0.38 -4.96 116.66 116.78 1smy n ARG 525 Ca 0.06 -4.04 -0.37 0.00 -1.00 0.00 0.00 57.85 52.50 1smy n ARG 525 Cb 0.35 -1.87 0.03 0.00 -1.05 0.00 0.00 32.46 29.92 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 -0.18 0.03 -3.69 2.89 -0.02 -1.05 -4.40 135.00 128.58 1smy n PRO 526 Ca 0.27 0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 1smy n PRO 526 Cb 0.65 -1.13 -0.13 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.72 1.14 0.20 -0.52 1.75 -1.26 -3.01 119.30 115.89 1smy s MET 527 Ca 0.51 -1.83 0.09 0.00 -1.25 0.00 0.00 55.69 53.22 1smy s MET 527 Cb -0.34 -2.19 -0.04 0.00 2.84 0.00 0.00 34.83 35.09 1smy s MET 527 CO 0.72 -1.14 -0.10 0.08 -0.65 0.00 0.00 175.02 173.92 1smy s VAL 528 N 0.58 3.09 -0.09 10.11 1.01 -0.67 -4.91 120.40 129.51 1smy s VAL 528 Ca 0.17 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 60.13 1smy s VAL 528 Cb -0.24 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1smy s VAL 528 CO -0.02 -0.17 0.66 -1.58 0.00 0.00 0.00 175.10 173.99 1smy s GLN 529 N -2.99 4.39 0.00 2.72 0.74 -1.26 -0.15 119.66 123.11 1smy s GLN 529 Ca 0.26 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.45 1smy s GLN 529 Cb -0.08 -3.47 0.00 0.00 1.10 0.00 0.00 33.01 30.56 1smy s GLN 529 CO 0.15 0.03 0.00 0.28 -0.55 0.00 0.00 175.29 175.20 1smy n VAL 530 N 3.90 0.00 -4.05 1.34 0.31 0.23 -4.94 118.33 115.12 1smy n VAL 530 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.99 1smy n VAL 530 Cb 0.51 -0.22 -0.15 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 4.06 1.33 4.52 1.01 -1.25 -4.94 116.67 120.92 1smy s ASP 531 Ca 0.00 -1.20 0.00 0.00 0.71 0.00 0.00 52.55 52.06 1smy s ASP 531 Cb 0.00 -1.46 0.00 0.00 1.01 0.00 0.00 42.92 42.47 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 4.52 1.40 0.86 0.21 0.00 -1.26 -2.24 105.19 108.68 1smy n GLY 532 Ca -0.15 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 1.33 3.68 -0.02 0.00 -1.26 -4.97 105.19 103.95 1smy n GLY 533 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.29 4.33 0.16 1.61 0.52 -0.95 -4.94 118.95 118.39 1smy s ARG 534 Ca 0.28 1.68 0.06 0.00 -0.52 0.00 0.00 55.73 57.23 1smy s ARG 534 Cb 0.17 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 1smy s ARG 534 CO 0.24 -0.50 0.04 -0.06 0.02 0.00 0.00 175.30 175.04 1smy s PHE 535 N 2.45 2.95 -0.04 -0.53 0.40 -1.26 0.77 117.98 122.72 1smy s PHE 535 Ca 0.56 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.79 1smy s PHE 535 Cb -0.24 -1.43 0.03 0.00 0.51 0.00 0.00 43.02 41.88 1smy s PHE 535 CO 0.21 0.51 0.03 0.00 0.70 0.00 0.00 175.22 176.67 1smy s ALA 536 N -1.68 0.33 0.10 5.36 0.00 0.79 -4.90 121.76 121.75 1smy s ALA 536 Ca 0.28 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1smy s ALA 536 Cb -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1smy s ALA 536 CO 0.20 -0.31 -0.09 -0.08 0.00 0.00 0.00 175.76 175.49 1smy s THR 537 N 1.63 0.87 0.27 0.00 -1.32 -1.26 -1.67 115.64 114.17 1smy s THR 537 Ca -0.01 -1.80 -0.30 0.00 -1.21 0.00 0.00 61.69 58.37 1smy s THR 537 Cb -0.13 -1.53 -0.11 0.00 -1.51 0.00 0.00 72.50 69.23 1smy s THR 537 CO -0.03 -0.70 1.49 -0.44 -2.21 0.00 0.00 174.62 172.73 1smy s SER 538 N -2.76 6.54 0.64 8.08 0.01 -1.16 -4.86 113.70 120.19 1smy s SER 538 Ca 0.09 2.78 0.30 0.00 1.31 0.00 0.00 55.95 60.44 1smy s SER 538 Cb 0.01 -2.63 1.64 0.00 0.21 0.00 0.00 66.02 65.24 1smy s SER 538 CO -0.02 -0.78 1.96 0.44 0.41 0.00 0.00 173.24 175.25 1smy h ASP 539 N 4.84 0.00 -0.66 2.44 3.32 -1.95 -1.77 116.42 122.64 1smy h ASP 539 Ca -0.47 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.69 1smy h ASP 539 Cb 1.22 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.69 1smy h ASP 539 CO 0.77 0.00 0.25 -0.07 -1.72 0.00 0.00 179.24 178.47 1smy h LEU 540 N 0.00 0.24 -0.89 1.55 3.38 -1.89 -2.34 115.31 115.35 1smy h LEU 540 Ca 0.06 0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.31 1smy h LEU 540 Cb 0.74 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.45 1smy h LEU 540 CO -0.00 0.12 0.46 0.78 0.09 0.00 0.00 178.44 179.89 1smy h ASN 541 N 0.42 0.51 -0.38 -0.43 2.35 -1.66 -0.04 115.58 116.35 1smy h ASN 541 Ca 0.34 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 56.19 1smy h ASN 541 Cb 0.45 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1smy h ASN 541 CO -0.34 0.15 0.19 -0.78 -1.65 0.00 0.00 177.43 175.00 1smy h ASP 542 N 0.56 0.49 -0.80 5.81 -0.00 -1.60 -2.10 116.42 118.78 1smy h ASP 542 Ca 0.52 -0.11 0.06 0.00 -0.00 0.00 0.00 57.03 57.50 1smy h ASP 542 Cb 0.86 -0.13 -0.06 0.00 -0.00 0.00 0.00 39.33 40.00 1smy h ASP 542 CO -0.43 0.47 0.49 -0.07 -0.00 0.00 0.00 179.24 179.70 1smy h LEU 543 N 0.48 0.75 -0.55 2.28 3.38 -1.08 -1.38 115.31 119.20 1smy h LEU 543 Ca 0.13 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1smy h LEU 543 Cb 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1smy h LEU 543 CO -0.02 0.48 0.34 1.88 0.09 0.00 0.00 178.44 181.21 1smy h TYR 544 N 0.88 0.64 -0.45 1.13 0.05 -0.83 -1.24 116.97 117.16 1smy h TYR 544 Ca 0.36 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 59.09 1smy h TYR 544 Cb 0.19 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1smy h TYR 544 CO -0.05 0.37 0.01 0.00 -1.05 0.00 0.00 178.16 177.44 1smy h ARG 545 N 0.68 0.74 -0.20 4.88 3.08 -0.77 0.33 114.38 123.12 1smy h ARG 545 Ca 0.22 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1smy h ARG 545 Cb -0.00 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 29.89 1smy h ARG 545 CO -0.09 0.74 -0.26 0.00 -1.07 0.00 0.00 179.97 179.30 1smy h ARG 546 N 0.69 -0.28 0.67 0.04 2.47 -0.17 0.12 114.38 117.91 1smy h ARG 546 Ca 0.14 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.85 1smy h ARG 546 Cb 0.42 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1smy h ARG 546 CO 0.02 -0.19 -0.32 1.25 0.56 0.00 0.00 179.97 181.28 1smy h LEU 547 N -0.30 -0.76 -0.79 3.04 5.85 -0.97 -2.82 115.31 118.56 1smy h LEU 547 Ca 0.12 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.01 1smy h LEU 547 Cb 0.48 0.20 -0.14 0.00 0.37 0.00 0.00 40.66 41.57 1smy h LEU 547 CO -0.37 -0.54 -0.31 0.40 -0.34 0.00 0.00 178.44 177.28 1smy h ILE 548 N -0.90 0.11 0.67 4.05 1.08 -0.71 -1.14 117.51 120.68 1smy h ILE 548 Ca -0.09 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 1smy h ILE 548 Cb 0.69 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1smy h ILE 548 CO 0.15 0.00 -0.36 0.78 -0.69 0.00 0.00 178.15 178.03 1smy h ASN 549 N -0.06 -0.88 -0.43 1.72 -0.26 -1.02 -0.67 115.58 113.97 1smy h ASN 549 Ca 0.32 0.04 0.09 0.00 -0.56 0.00 0.00 56.30 56.19 1smy h ASN 549 Cb 0.58 0.24 -0.09 0.00 -1.06 0.00 0.00 38.32 37.99 1smy h ASN 549 CO -0.83 -0.59 -0.29 0.03 -1.06 0.00 0.00 177.43 174.69 1smy h ARG 550 N -0.95 -0.20 -0.98 0.81 2.47 -1.15 0.70 114.38 115.08 1smy h ARG 550 Ca -0.09 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.76 1smy h ARG 550 Cb 0.75 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 29.03 1smy h ARG 550 CO 0.12 -0.13 0.61 -0.97 0.56 0.00 0.00 179.97 180.16 1smy h ASN 551 N -0.20 0.88 -0.08 7.04 -1.24 -1.17 0.62 115.58 121.43 1smy h ASN 551 Ca 0.19 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.22 1smy h ASN 551 Cb 0.52 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.44 1smy h ASN 551 CO -0.55 0.47 -0.08 0.78 -1.29 0.00 0.00 177.43 176.76 1smy h ASN 552 N 0.96 0.20 -0.67 1.15 2.35 0.85 -2.56 115.58 117.85 1smy h ASN 552 Ca 0.49 -0.49 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1smy h ASN 552 Cb 0.48 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 1smy h ASN 552 CO -0.27 0.64 0.44 -0.09 -1.65 0.00 0.00 177.43 176.51 1smy h ARG 553 N -0.24 0.55 0.56 0.81 2.43 0.12 -2.12 114.38 116.48 1smy h ARG 553 Ca 0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1smy h ARG 553 Cb 0.59 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1smy h ARG 553 CO 0.02 0.36 -0.42 1.25 -1.51 0.00 0.00 179.97 179.67 1smy h LEU 554 N 0.56 -1.12 -0.47 3.80 7.12 0.41 0.97 115.31 126.59 1smy h LEU 554 Ca 0.30 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.48 1smy h LEU 554 Cb 0.45 0.35 -0.10 0.00 -0.53 0.00 0.00 40.66 40.83 1smy h LEU 554 CO -0.10 -0.61 -0.19 0.11 -0.13 0.00 0.00 178.44 177.53 1smy h LYS 555 N -0.95 -0.08 -0.53 1.25 1.57 -1.02 0.12 116.57 116.93 1smy h LYS 555 Ca -0.07 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1smy h LYS 555 Cb 0.78 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 1smy h LYS 555 CO 0.02 -0.05 0.30 0.87 -0.57 0.00 0.00 179.45 180.02 1smy h LYS 556 N -0.08 0.57 0.00 3.15 1.57 -1.33 -2.10 116.57 118.35 1smy h LYS 556 Ca 0.22 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1smy h LYS 556 Cb 0.43 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1smy h LYS 556 CO -0.53 0.38 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.60 1smy h LEU 557 N 0.59 0.00 0.14 2.94 3.38 0.16 -1.46 115.31 121.05 1smy h LEU 557 Ca 0.22 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.96 1smy h LEU 557 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1smy h LEU 557 CO -0.13 0.06 -1.12 -0.07 0.09 0.00 0.00 178.44 177.27 1smy h LEU 558 N 0.00 0.45 0.40 1.67 3.38 -0.33 -3.37 115.31 117.50 1smy h LEU 558 Ca -0.00 -0.90 -0.02 0.00 0.09 0.00 0.00 57.88 57.05 1smy h LEU 558 Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1smy h LEU 558 CO 0.01 1.51 -0.19 0.00 0.09 0.00 0.00 178.44 179.86 1smy h ALA 559 N 0.02 -0.54 0.00 1.53 0.00 -1.21 -3.02 119.26 116.04 1smy h ALA 559 Ca -0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1smy h ALA 559 Cb 1.72 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1smy h ALA 559 CO 0.12 -0.72 0.02 0.94 0.00 0.00 0.00 179.25 179.60 1smy n GLN 560 N -5.26 0.00 0.00 0.00 -0.06 -0.57 -4.86 117.38 106.64 1smy n GLN 560 Ca -0.11 0.05 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 1smy n GLN 560 Cb 0.26 -1.52 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 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 -0.94 2.51 3.02 1.69 0.00 -1.14 -5.08 105.19 105.26 1smy n GLY 561 Ca 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.51 -1.73 -0.07 4.61 0.00 -1.26 -4.36 121.76 116.44 1smy s ALA 562 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 1smy s ALA 562 Cb 0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1smy s ALA 562 CO 0.00 -1.88 1.20 -1.25 0.00 0.00 0.00 175.76 173.83 1smy s PRO 563 N 2.45 4.34 0.12 0.00 0.04 -1.26 -4.92 135.00 135.77 1smy s PRO 563 Ca 0.11 1.66 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 1smy s PRO 563 Cb -0.11 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 1smy s PRO 563 CO -0.23 -0.48 1.07 0.39 0.04 0.00 0.00 177.00 177.79 1smy n GLU 564 N 5.38 -0.29 -0.42 4.56 -0.58 -1.26 -1.57 120.64 126.47 1smy n GLU 564 Ca 0.11 1.05 -0.10 0.00 -0.42 0.00 0.00 57.16 57.80 1smy n GLU 564 Cb 0.46 -1.55 -0.09 0.00 -0.57 0.00 0.00 31.44 29.69 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 -0.35 -3.67 5.03 -2.00 0.83 117.51 117.35 1smy h ILE 565 Ca 0.12 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.82 1smy h ILE 565 Cb 0.30 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.07 1smy h ILE 565 CO -0.66 0.00 0.05 0.40 -0.68 0.00 0.00 178.15 177.26 1smy h ILE 566 N -0.00 1.18 0.39 -0.67 2.04 -1.69 0.11 117.51 118.87 1smy h ILE 566 Ca 0.18 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1smy h ILE 566 Cb 0.43 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1smy h ILE 566 CO -0.94 0.24 -0.19 0.40 0.00 0.00 0.00 178.15 177.66 1smy h ILE 567 N 0.51 0.61 0.33 -0.67 2.04 -0.62 -2.45 117.51 117.27 1smy h ILE 567 Ca 0.12 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1smy h ILE 567 Cb 0.26 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1smy h ILE 567 CO 0.00 0.05 -0.20 -0.09 0.00 0.00 0.00 178.15 177.91 1smy h ARG 568 N -0.68 -0.49 -1.15 2.37 9.65 -1.08 -0.20 114.38 122.79 1smy h ARG 568 Ca -0.05 0.03 0.40 0.00 -1.10 0.00 0.00 59.98 59.26 1smy h ARG 568 Cb 0.49 0.11 -0.15 0.00 -1.39 0.00 0.00 29.97 29.03 1smy h ARG 568 CO 0.09 -0.33 0.70 -0.97 2.80 0.00 0.00 179.97 182.26 1smy h ASN 569 N -0.51 0.34 0.01 -3.80 -0.73 -0.79 0.47 115.58 110.56 1smy h ASN 569 Ca -0.03 0.18 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 1smy h ASN 569 Cb 0.42 0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.18 1smy h ASN 569 CO 0.04 -0.23 -0.00 -0.08 -0.37 0.00 0.00 177.43 176.78 1smy h GLU 570 N 0.13 -0.01 -1.21 6.67 4.57 -0.92 -2.97 114.58 120.84 1smy h GLU 570 Ca 0.80 0.00 0.35 0.00 -1.18 0.00 0.00 59.36 59.33 1smy h GLU 570 Cb 2.24 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 30.78 1smy h GLU 570 CO -0.56 0.69 0.86 0.87 -1.18 0.00 0.00 179.01 179.69 1smy h LYS 571 N -0.99 0.05 0.50 1.92 1.57 0.11 0.82 116.57 120.55 1smy h LYS 571 Ca -0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1smy h LYS 571 Cb 0.70 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1smy h LYS 571 CO 0.00 0.03 -0.24 -0.09 -0.57 0.00 0.00 179.45 178.58 1smy h ARG 572 N 0.05 -0.65 -0.70 3.15 2.43 -0.27 0.48 114.38 118.87 1smy h ARG 572 Ca 0.59 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.96 1smy h ARG 572 Cb 2.25 0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 31.84 1smy h ARG 572 CO -0.05 -0.43 0.11 0.52 -1.51 0.00 0.00 179.97 178.61 1smy h MET 573 N -0.75 0.20 -0.70 0.20 2.86 -0.19 0.15 114.93 116.70 1smy h MET 573 Ca -0.07 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1smy h MET 573 Cb 0.51 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 1smy h MET 573 CO 0.11 0.13 0.42 1.25 1.06 0.00 0.00 176.91 179.88 1smy h LEU 574 N 0.20 0.65 0.60 1.22 5.85 0.46 0.20 115.31 124.50 1smy h LEU 574 Ca 0.39 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.10 1smy h LEU 574 Cb 0.65 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1smy h LEU 574 CO -0.53 0.43 -0.32 -0.61 -0.34 0.00 0.00 178.44 177.07 1smy h GLN 575 N 0.79 -0.82 -0.94 1.25 5.75 0.15 -1.22 115.11 120.07 1smy h GLN 575 Ca 0.30 0.06 0.16 0.00 -0.15 0.00 0.00 58.65 59.01 1smy h GLN 575 Cb 0.12 0.19 -0.08 0.00 1.07 0.00 0.00 27.48 28.78 1smy h GLN 575 CO -0.15 -0.55 0.60 1.49 -2.65 0.00 0.00 178.83 177.57 1smy h GLU 576 N -0.85 0.70 -0.19 1.69 4.22 -0.60 -0.60 114.58 118.95 1smy h GLU 576 Ca -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.31 1smy h GLU 576 Cb 0.67 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1smy h GLU 576 CO 0.11 0.46 0.09 0.00 -2.18 0.00 0.00 179.01 177.49 1smy h ALA 577 N 1.60 0.25 0.00 2.92 0.00 -0.29 -1.25 119.26 122.49 1smy h ALA 577 Ca 0.49 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1smy h ALA 577 Cb 0.78 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1smy h ALA 577 CO -0.25 -0.19 -0.09 0.28 0.00 0.00 0.00 179.25 179.01 1smy h VAL 578 N 0.18 1.05 -0.34 0.00 2.07 0.08 -0.98 116.25 118.31 1smy h VAL 578 Ca 0.07 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1smy h VAL 578 Cb 0.12 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1smy h VAL 578 CO -0.01 0.09 -0.00 0.44 0.02 0.00 0.00 177.57 178.11 1smy h ASP 579 N 0.00 0.59 -0.11 0.57 3.32 -0.68 -3.10 116.42 117.01 1smy h ASP 579 Ca -0.00 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.75 1smy h ASP 579 Cb 0.16 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1smy h ASP 579 CO 0.01 0.75 -0.14 0.00 -1.72 0.00 0.00 179.24 178.15 1smy h ALA 580 N 0.86 -0.39 -0.28 3.45 0.00 -0.01 0.95 119.26 123.84 1smy h ALA 580 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1smy h ALA 580 Cb 0.45 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1smy h ALA 580 CO 0.02 -0.45 0.02 1.37 0.00 0.00 0.00 179.25 180.20 1smy h LEU 581 N -0.09 0.39 0.72 0.00 8.10 -1.66 -2.99 115.31 119.78 1smy h LEU 581 Ca 0.02 -0.06 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 1smy h LEU 581 Cb 0.14 -0.10 0.01 0.00 -0.44 0.00 0.00 40.66 40.27 1smy h LEU 581 CO -0.15 0.44 -0.35 -0.07 -4.11 0.00 0.00 178.44 174.20 1smy h LEU 582 N 0.41 -0.82 -6.00 0.17 3.38 -1.29 0.84 115.31 112.00 1smy h LEU 582 Ca 0.09 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1smy h LEU 582 Cb 0.24 0.21 -0.21 0.00 0.09 0.00 0.00 40.66 41.00 1smy h LEU 582 CO 0.00 -0.44 -0.30 -0.62 0.09 0.00 0.00 178.44 177.17 1smy s ASP 583 N -4.45 -1.43 0.56 -0.43 2.15 0.32 -2.80 116.67 110.59 1smy s ASP 583 Ca -0.14 0.42 -0.14 0.00 0.43 0.00 0.00 52.55 53.11 1smy s ASP 583 Cb 0.01 2.01 -0.06 0.00 -0.30 0.00 0.00 42.92 44.58 1smy s ASP 583 CO 0.44 -0.26 1.01 0.20 -0.17 0.00 0.00 175.17 176.38 1smy s ASN 584 N 2.85 6.43 0.00 -0.34 0.01 -1.14 -3.87 114.94 118.89 1smy s ASN 584 Ca 0.14 1.52 0.00 0.00 -0.71 0.00 0.00 52.86 53.81 1smy s ASN 584 Cb -0.11 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1smy s ASN 584 CO -0.24 -0.72 0.00 0.61 -1.51 0.00 0.00 177.10 175.24 1smy n GLY 585 N -2.03 1.66 0.00 0.66 0.00 -0.16 -4.87 105.19 100.44 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 0.03 0.00 1.61 5.12 -1.25 -4.19 116.66 115.98 1smy n ARG 586 Ca 0.00 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1smy n ARG 586 Cb 0.00 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 1smy n ARG 586 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1smy n ARG 587 N -1.48 0.77 0.00 5.56 0.63 -1.26 -5.08 116.66 115.81 1smy n ARG 587 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1smy n ARG 587 Cb 0.33 -0.06 0.00 0.00 0.45 0.00 0.00 32.46 33.18 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 0.82 3.14 5.14 0.00 -1.26 -5.13 105.19 107.90 1smy n GLY 588 Ca 0.00 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 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 2.75 0.30 4.61 0.00 -1.26 -0.99 121.76 125.17 1smy s ALA 589 Ca 0.00 -1.81 -0.28 0.00 0.00 0.00 0.00 51.96 49.87 1smy s ALA 589 Cb 0.00 -1.85 -0.09 0.00 0.00 0.00 0.00 23.12 21.18 1smy s ALA 589 CO 0.00 -1.28 1.05 -2.14 0.00 0.00 0.00 175.76 173.40 1smy s PRO 590 N 1.19 4.58 0.04 0.00 0.02 -1.26 -5.01 135.00 134.56 1smy s PRO 590 Ca -0.06 1.67 0.03 0.00 0.02 0.00 0.00 61.00 62.67 1smy s PRO 590 Cb -0.20 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 1smy s PRO 590 CO -0.03 0.20 -0.11 0.14 -0.33 0.00 0.00 177.00 176.88 1smy s VAL 591 N -1.28 0.81 0.52 3.83 -7.23 -1.26 -3.47 120.40 112.32 1smy s VAL 591 Ca 0.47 -0.94 -0.22 0.00 -1.81 0.00 0.00 61.98 59.48 1smy s VAL 591 Cb -0.28 -0.78 -0.06 0.00 0.56 0.00 0.00 36.38 35.82 1smy s VAL 591 CO 0.36 -0.14 1.26 -0.89 -0.31 0.00 0.00 175.10 175.39 1smy s THR 592 N -0.96 2.56 0.40 5.32 2.01 -1.26 -4.90 115.64 118.81 1smy s THR 592 Ca -0.03 0.41 -0.22 0.00 0.31 0.00 0.00 61.69 62.16 1smy s THR 592 Cb -0.08 -3.20 -0.14 0.00 0.01 0.00 0.00 72.50 69.09 1smy s THR 592 CO 0.01 -0.02 0.32 0.59 -0.69 0.00 0.00 174.62 174.83 1smy n ASN 593 N -0.91 -1.88 -0.37 3.53 3.02 -1.26 -4.52 115.26 112.88 1smy n ASN 593 Ca 0.10 0.87 -0.05 0.00 -0.03 0.00 0.00 54.58 55.47 1smy n ASN 593 Cb 0.47 -0.99 -0.01 0.00 -0.61 0.00 0.00 39.78 38.64 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 0.97 0.00 0.00 3.52 -0.02 -1.26 -4.09 135.00 134.11 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 -0.12 0.00 0.00 -0.02 0.00 0.00 33.50 33.75 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 0.39 2.68 2.75 -1.23 0.00 -1.26 -5.07 105.19 103.45 1smy n GLY 595 Ca 0.03 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 1.64 0.00 1.61 1.04 -1.26 -5.00 113.70 111.73 1smy s SER 596 Ca 0.00 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 1smy s SER 596 Cb 0.00 0.46 -0.10 0.00 0.10 0.00 0.00 66.02 66.47 1smy s SER 596 CO 0.00 -0.37 2.31 0.47 0.98 0.00 0.00 173.24 176.63 1smy n ASP 597 N 5.31 4.34 -4.80 7.02 8.00 -1.26 -4.03 116.55 131.13 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 0.83 4.37 -0.14 -1.24 6.06 -1.26 -5.01 118.95 122.57 1smy s ARG 598 Ca 0.26 0.98 -0.29 0.00 -2.50 0.00 0.00 55.73 54.18 1smy s ARG 598 Cb 0.12 -3.02 -0.01 0.00 0.06 0.00 0.00 34.95 32.11 1smy s ARG 598 CO 0.00 0.46 1.12 -2.14 -2.50 0.00 0.00 175.30 172.23 1smy s PRO 599 N -1.66 4.32 -0.42 5.12 0.02 -1.26 -4.19 135.00 136.93 1smy s PRO 599 Ca 0.40 1.51 -0.27 0.00 0.02 0.00 0.00 61.00 62.66 1smy s PRO 599 Cb -0.19 -3.62 -0.05 0.00 0.02 0.00 0.00 34.50 30.67 1smy s PRO 599 CO 0.23 -0.51 2.14 -0.51 -0.33 0.00 0.00 177.00 178.02 1smy s LEU 600 N 2.68 3.41 -0.60 -5.54 1.43 -1.23 -4.76 118.68 114.06 1smy s LEU 600 Ca 0.50 1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 54.62 1smy s LEU 600 Cb -0.20 -2.94 -0.15 0.00 0.03 0.00 0.00 46.19 42.93 1smy s LEU 600 CO 0.15 -2.34 1.56 -1.14 0.23 0.00 0.00 176.35 174.81 1smy n ARG 601 N 8.88 0.00 -1.01 1.70 3.00 -1.26 -4.82 116.66 123.15 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 0.50 -0.85 0.13 0.00 0.00 0.00 0.00 32.46 32.25 1smy n ARG 601 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1smy s SER 602 N 4.34 3.65 0.31 6.15 1.04 -1.26 -4.61 113.70 123.32 1smy s SER 602 Ca 0.82 1.92 0.07 0.00 0.48 0.00 0.00 55.95 59.24 1smy s SER 602 Cb -0.71 -2.50 0.81 0.00 0.10 0.00 0.00 66.02 63.73 1smy s SER 602 CO 0.31 -2.59 1.72 -0.07 0.98 0.00 0.00 173.24 173.58 1smy h LEU 603 N -1.52 0.55 -0.39 2.42 3.38 -0.77 -0.11 115.31 118.88 1smy h LEU 603 Ca -0.45 0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1smy h LEU 603 Cb 1.25 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1smy h LEU 603 CO 0.48 0.07 -0.02 0.74 0.09 0.00 0.00 178.44 179.80 1smy h THR 604 N 0.52 1.26 -0.94 0.22 2.02 -1.76 -2.82 112.91 111.40 1smy h THR 604 Ca 0.61 -1.05 0.26 0.00 0.77 0.00 0.00 66.41 67.00 1smy h THR 604 Cb 1.14 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 1smy h THR 604 CO -0.49 0.35 0.66 0.44 0.37 0.00 0.00 175.52 176.85 1smy h ASP 605 N 0.52 0.14 1.53 4.18 5.19 -1.33 0.67 116.42 127.32 1smy h ASP 605 Ca 0.11 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1smy h ASP 605 Cb 0.51 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1smy h ASP 605 CO 0.02 0.04 -0.35 0.40 -3.12 0.00 0.00 179.24 176.24 1smy h ILE 606 N 0.13 0.63 0.00 0.35 2.04 -1.30 -1.45 117.51 117.90 1smy h ILE 606 Ca 0.47 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.54 1smy h ILE 606 Cb 1.63 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1smy h ILE 606 CO -0.08 0.34 -0.03 -0.07 0.00 0.00 0.00 178.15 178.32 1smy h LEU 607 N 0.00 0.00 -0.69 1.44 3.38 0.34 -3.40 115.31 116.38 1smy h LEU 607 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1smy h LEU 607 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1smy h LEU 607 CO 0.05 0.09 0.38 0.77 0.09 0.00 0.00 178.44 179.81 1smy h SER 608 N -0.14 0.87 -1.60 -0.43 4.64 -1.31 -3.45 113.55 112.13 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 0.03 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1smy h SER 608 CO 0.00 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.28 1smy n GLY 609 N -1.07 0.88 0.29 -0.77 0.00 -0.56 -3.71 105.19 100.23 1smy n GLY 609 Ca 0.06 -0.51 0.19 0.00 0.00 0.00 0.00 46.02 45.76 1smy n GLY 609 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smy h LYS 610 N 0.00 0.00 -0.44 1.61 1.57 -1.81 -1.84 116.57 115.66 1smy h LYS 610 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1smy h LYS 610 Cb 0.55 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.74 1smy h LYS 610 CO 0.00 0.00 0.05 0.94 -0.57 0.00 0.00 179.45 179.87 1smy n GLN 611 N -2.84 2.18 -1.10 3.15 7.27 -1.26 -4.88 117.38 119.91 1smy n GLN 611 Ca -0.02 -3.10 0.00 0.00 0.07 0.00 0.00 57.00 53.95 1smy n GLN 611 Cb 0.06 -1.89 0.00 0.00 2.41 0.00 0.00 30.24 30.82 1smy n GLN 611 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1smy n GLY 612 N -0.97 0.67 0.12 1.69 0.00 -0.71 -4.96 105.19 101.03 1smy n GLY 612 Ca 0.35 -0.73 -0.12 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 0.25 -0.39 1.61 2.43 -1.81 -2.58 114.38 113.88 1smy h ARG 613 Ca 0.00 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 1smy h ARG 613 Cb 0.37 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1smy h ARG 613 CO 0.00 1.08 0.08 0.35 -1.51 0.00 0.00 179.97 179.97 1smy h PHE 614 N 0.11 0.66 -0.57 2.20 3.57 -1.65 0.28 116.94 121.54 1smy h PHE 614 Ca -0.08 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.42 1smy h PHE 614 Cb 1.71 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 40.20 1smy h PHE 614 CO 0.04 0.65 0.22 0.00 -2.23 0.00 0.00 178.31 176.99 1smy h ARG 615 N 0.48 0.39 -0.42 1.11 2.47 -1.86 -1.60 114.38 114.95 1smy h ARG 615 Ca 0.12 -0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.69 1smy h ARG 615 Cb 0.33 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1smy h ARG 615 CO 0.00 0.26 -0.23 0.37 0.56 0.00 0.00 179.97 180.93 1smy h GLN 616 N 0.40 0.90 -0.96 0.04 4.15 -1.26 -1.78 115.11 116.60 1smy h GLN 616 Ca 0.28 -0.41 0.13 0.00 0.77 0.00 0.00 58.65 59.43 1smy h GLN 616 Cb 0.32 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.91 1smy h GLN 616 CO -0.28 1.06 0.61 -0.97 -1.93 0.00 0.00 178.83 177.32 1smy h ASN 617 N 0.73 0.82 -0.24 -0.69 -0.73 0.51 -0.07 115.58 115.91 1smy h ASN 617 Ca 0.09 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1smy h ASN 617 Cb 0.80 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.28 1smy h ASN 617 CO 0.07 0.42 0.00 0.18 -0.37 0.00 0.00 177.43 177.73 1smy n LEU 618 N -4.61 3.00 0.05 0.34 4.77 -0.86 -3.69 117.00 116.00 1smy n LEU 618 Ca 0.19 -1.19 0.11 0.00 -0.03 0.00 0.00 56.01 55.08 1smy n LEU 618 Cb 0.41 -0.14 0.45 0.00 -2.33 0.00 0.00 43.42 41.80 1smy n LEU 618 CO 0.28 0.60 0.84 -0.11 -1.33 0.00 0.00 177.39 177.67 1smy n LEU 619 N 1.24 0.29 0.00 2.23 0.00 -0.04 -4.97 117.00 115.75 1smy n LEU 619 Ca 0.17 0.55 0.00 0.00 0.00 0.00 0.00 56.01 56.74 1smy n LEU 619 Cb 0.56 -0.49 0.00 0.00 0.00 0.00 0.00 43.42 43.49 1smy n LEU 619 CO 0.15 -0.25 0.00 0.61 0.00 0.00 0.00 177.39 177.90 1smy n GLY 620 N 0.59 3.33 0.00 -3.96 0.00 -1.23 -5.08 105.19 98.84 1smy n GLY 620 Ca 0.04 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1smy n GLY 620 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1smy n LYS 621 N -0.90 2.44 -3.89 1.61 5.02 -1.26 -4.92 118.16 116.25 1smy n LYS 621 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1smy n LYS 621 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 1smy n LYS 621 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1smy s ARG 622 N 2.02 1.42 0.47 1.97 0.52 -1.26 -5.12 118.95 118.97 1smy s ARG 622 Ca 0.00 -0.44 -0.22 0.00 -0.52 0.00 0.00 55.73 54.55 1smy s ARG 622 Cb 0.00 -1.89 -0.08 0.00 0.52 0.00 0.00 34.95 33.50 1smy s ARG 622 CO 0.00 -0.39 1.10 0.08 0.02 0.00 0.00 175.30 176.10 1smy s VAL 623 N 1.66 3.45 -0.15 3.52 1.01 -1.26 -4.97 120.40 123.67 1smy s VAL 623 Ca 0.02 1.01 0.17 0.00 0.00 0.00 0.00 61.98 63.17 1smy s VAL 623 Cb -0.15 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1smy s VAL 623 CO -0.08 -0.09 1.07 0.44 0.00 0.00 0.00 175.10 176.45 1smy h ASP 624 N 1.88 0.00 -2.20 3.32 5.19 -1.99 -3.39 116.42 119.22 1smy h ASP 624 Ca -0.49 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.32 1smy h ASP 624 Cb 1.23 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 40.33 1smy h ASP 624 CO 0.60 0.50 -0.59 -1.22 -3.12 0.00 0.00 179.24 175.40 1smy n TYR 625 N -2.99 3.66 -4.61 4.55 4.02 -1.26 -5.05 117.16 115.48 1smy n TYR 625 Ca -0.04 -4.16 -0.28 0.00 -0.01 0.00 0.00 57.90 53.40 1smy n TYR 625 Cb 0.77 -0.56 -0.08 0.00 -0.02 0.00 0.00 39.34 39.45 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 -2.47 3.30 0.17 7.72 1.04 -1.26 -1.10 113.70 121.11 1smy s SER 626 Ca 0.40 -1.65 -0.24 0.00 0.48 0.00 0.00 55.95 54.94 1smy s SER 626 Cb 0.15 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.78 1smy s SER 626 CO -0.01 -0.87 0.93 -0.83 0.98 0.00 0.00 173.24 173.43 1smy s GLY 627 N -3.71 -0.21 -0.21 7.32 0.00 0.12 -4.87 107.32 105.76 1smy s GLY 627 Ca 0.18 0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.70 1smy s GLY 627 CO 0.10 -0.01 0.70 -1.60 0.00 0.00 0.00 173.10 172.30 1smy s ARG 628 N -3.37 0.89 0.08 2.90 3.52 -1.26 -0.86 118.95 120.84 1smy s ARG 628 Ca 0.12 0.80 -0.27 0.00 -0.13 0.00 0.00 55.73 56.25 1smy s ARG 628 Cb -0.02 0.43 0.09 0.00 -1.56 0.00 0.00 34.95 33.89 1smy s ARG 628 CO 0.03 -0.16 1.12 0.45 -0.81 0.00 0.00 175.30 175.93 1smy s SER 629 N -0.03 -0.09 0.75 -2.12 0.15 -1.13 -5.04 113.70 106.19 1smy s SER 629 Ca -0.03 -0.32 -0.11 0.00 0.70 0.00 0.00 55.95 56.19 1smy s SER 629 Cb -0.04 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1smy s SER 629 CO 0.03 -0.64 1.09 -0.69 1.20 0.00 0.00 173.24 174.24 1smy s VAL 630 N -2.73 3.42 0.13 4.45 1.01 -1.26 -2.80 120.40 122.62 1smy s VAL 630 Ca 0.15 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.69 1smy s VAL 630 Cb 0.01 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1smy s VAL 630 CO 0.00 -0.58 -0.09 0.27 0.00 0.00 0.00 175.10 174.70 1smy s ILE 631 N -2.86 3.35 -0.16 2.22 -4.36 -1.16 -0.69 121.20 117.54 1smy s ILE 631 Ca 0.61 -1.39 -0.09 0.00 -0.26 0.00 0.00 60.65 59.53 1smy s ILE 631 Cb -0.17 -2.60 0.06 0.00 1.25 0.00 0.00 42.46 40.99 1smy s ILE 631 CO 0.54 0.03 0.38 -0.69 0.24 0.00 0.00 174.94 175.44 1smy s VAL 632 N -1.39 -0.03 0.16 8.37 1.01 0.98 -4.83 120.40 124.67 1smy s VAL 632 Ca 0.23 0.10 -0.32 0.00 0.00 0.00 0.00 61.98 61.99 1smy s VAL 632 Cb -0.10 -0.57 -0.17 0.00 0.00 0.00 0.00 36.38 35.54 1smy s VAL 632 CO 0.15 0.04 0.91 0.55 0.00 0.00 0.00 175.10 176.74 1smy n VAL 633 N 4.23 1.23 -3.25 2.92 3.14 -1.26 -2.59 118.33 122.75 1smy n VAL 633 Ca -0.24 -0.31 -0.28 0.00 -2.96 0.00 0.00 64.34 60.56 1smy n VAL 633 Cb 0.55 -0.41 -0.06 0.00 -1.06 0.00 0.00 33.84 32.86 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 1.81 5.09 0.26 7.55 0.00 0.77 -4.75 105.19 115.91 1smy n GLY 634 Ca 0.16 -2.77 -0.07 0.00 0.00 0.00 0.00 46.02 43.34 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 0.54 -0.27 0.23 1.61 -0.02 -1.26 0.02 135.00 135.85 1smy n PRO 635 Ca 0.30 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.85 1smy n PRO 635 Cb 0.40 -1.40 0.53 0.00 -0.02 0.00 0.00 33.50 33.01 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 -6.48 -0.52 4.20 -1.97 -3.45 115.11 106.89 1smy h GLN 636 Ca 0.10 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.24 1smy h GLN 636 Cb 0.25 0.00 0.19 0.00 0.30 0.00 0.00 27.48 28.22 1smy h GLN 636 CO -0.58 0.19 -0.66 -0.11 -0.67 0.00 0.00 178.83 177.00 1smy n LEU 637 N -3.40 -0.56 -4.65 1.46 7.94 0.10 -4.99 117.00 112.91 1smy n LEU 637 Ca -0.00 0.57 -0.30 0.00 -1.11 0.00 0.00 56.01 55.17 1smy n LEU 637 Cb 0.38 -1.11 -0.09 0.00 0.53 0.00 0.00 43.42 43.14 1smy n LEU 637 CO 0.32 -3.66 -0.37 -0.54 -1.11 0.00 0.00 177.39 172.04 1smy s LYS 638 N -2.36 2.38 0.23 1.96 1.02 -1.26 -4.97 119.74 116.74 1smy s LYS 638 Ca 0.62 -0.93 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 1smy s LYS 638 Cb -0.36 -2.44 0.31 0.00 -0.52 0.00 0.00 37.83 34.82 1smy s LYS 638 CO 0.61 0.52 1.39 1.28 -0.92 0.00 0.00 175.35 178.24 1smy n LEU 639 N 0.54 -0.45 -0.32 3.17 4.77 -1.26 0.26 117.00 123.71 1smy n LEU 639 Ca -0.12 1.55 0.19 0.00 -0.03 0.00 0.00 56.01 57.60 1smy n LEU 639 Cb 0.52 -0.41 0.38 0.00 -2.33 0.00 0.00 43.42 41.58 1smy n LEU 639 CO 0.37 -1.44 0.94 -0.74 -1.33 0.00 0.00 177.39 175.19 1smy h HIS 640 N 0.00 0.38 -5.12 -1.77 2.76 -1.94 -3.42 115.15 106.05 1smy h HIS 640 Ca 0.37 0.05 -0.45 0.00 -2.20 0.00 0.00 60.37 58.14 1smy h HIS 640 Cb 0.59 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.48 1smy h HIS 640 CO -0.74 -0.35 -0.27 0.00 -1.30 0.00 0.00 177.93 175.27 1smy n GLN 641 N -5.31 0.98 -3.58 5.26 10.64 0.14 -2.15 117.38 123.35 1smy n GLN 641 Ca 0.27 -2.63 -0.15 0.00 -1.83 0.00 0.00 57.00 52.66 1smy n GLN 641 Cb 0.88 0.47 -0.06 0.00 -0.86 0.00 0.00 30.24 30.67 1smy n GLN 641 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1smy s GLY 643 N -0.41 2.11 -0.01 0.00 0.00 0.47 -2.22 107.32 107.27 1smy s GLY 643 Ca -0.04 -0.39 0.06 0.00 0.00 0.00 0.00 44.72 44.35 1smy s GLY 643 CO 0.04 1.01 -0.20 -2.27 0.00 0.00 0.00 173.10 171.68 1smy s LEU 644 N 1.47 2.06 0.07 0.66 2.96 -1.23 0.16 118.68 124.84 1smy s LEU 644 Ca 0.24 -0.39 -0.31 0.00 -0.22 0.00 0.00 54.13 53.45 1smy s LEU 644 Cb -0.15 -1.02 -0.10 0.00 0.50 0.00 0.00 46.19 45.42 1smy s LEU 644 CO 0.09 0.23 1.89 -2.65 -1.32 0.00 0.00 176.35 174.60 1smy n PRO 645 N 2.46 2.75 -0.32 0.98 -0.02 -1.25 -0.84 135.00 138.76 1smy n PRO 645 Ca -0.15 1.00 0.11 0.00 -2.02 0.00 0.00 63.50 62.44 1smy n PRO 645 Cb 0.53 -2.92 0.29 0.00 -0.02 0.00 0.00 33.50 31.38 1smy n PRO 645 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1smy h LYS 646 N 9.39 0.58 -0.54 -0.52 2.10 -1.28 0.24 116.57 126.54 1smy h LYS 646 Ca -0.48 -0.03 0.11 0.00 -2.00 0.00 0.00 60.65 58.24 1smy h LYS 646 Cb 1.24 -0.13 -0.09 0.00 -0.90 0.00 0.00 32.23 32.34 1smy h LYS 646 CO 0.94 0.38 -0.03 -0.09 -2.00 0.00 0.00 179.45 178.66 1smy h ARG 647 N 0.60 0.09 -0.60 0.07 9.65 -1.87 0.19 114.38 122.51 1smy h ARG 647 Ca 0.54 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 59.35 1smy h ARG 647 Cb 0.88 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.42 1smy h ARG 647 CO -0.42 0.06 0.14 1.98 2.80 0.00 0.00 179.97 184.53 1smy h MET 648 N 0.09 0.97 -0.71 0.20 4.05 -0.98 -2.92 114.93 115.64 1smy h MET 648 Ca 0.27 -0.24 0.13 0.00 -0.28 0.00 0.00 59.70 59.59 1smy h MET 648 Cb 0.43 -0.13 -0.09 0.00 -0.80 0.00 0.00 31.60 31.01 1smy h MET 648 CO -0.48 0.89 0.25 0.00 0.23 0.00 0.00 176.91 177.81 1smy h ALA 649 N 1.04 0.96 -0.14 0.39 0.00 0.10 -1.56 119.26 120.04 1smy h ALA 649 Ca 0.19 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1smy h ALA 649 Cb 0.36 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1smy h ALA 649 CO 0.00 -0.23 -0.33 1.25 0.00 0.00 0.00 179.25 179.95 1smy h LEU 650 N 0.40 -1.02 0.85 0.00 5.85 -0.70 0.16 115.31 120.84 1smy h LEU 650 Ca 0.38 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 59.21 1smy h LEU 650 Cb 0.57 0.43 0.01 0.00 0.37 0.00 0.00 40.66 42.04 1smy h LEU 650 CO -0.40 -0.36 -0.41 -0.33 -0.34 0.00 0.00 178.44 176.60 1smy h GLU 651 N -0.40 -1.09 -0.07 1.25 4.39 -1.42 -1.41 114.58 115.83 1smy h GLU 651 Ca 0.10 0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.89 1smy h GLU 651 Cb 0.55 0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.40 1smy h GLU 651 CO -0.36 -0.73 -0.43 -0.07 -1.16 0.00 0.00 179.01 176.26 1smy h LEU 652 N -1.16 -1.35 -2.51 1.33 -0.00 -1.13 -1.69 115.31 108.80 1smy h LEU 652 Ca -0.12 0.16 -0.14 0.00 -0.00 0.00 0.00 57.88 57.78 1smy h LEU 652 Cb 0.87 0.52 -0.08 0.00 -0.00 0.00 0.00 40.66 41.97 1smy h LEU 652 CO 0.19 -0.39 0.18 0.49 -0.00 0.00 0.00 178.44 178.90 1smy n PHE 653 N -4.83 1.01 0.07 1.13 3.01 0.54 -4.61 117.46 113.79 1smy n PHE 653 Ca -0.05 -0.80 -0.10 0.00 1.01 0.00 0.00 57.45 57.51 1smy n PHE 653 Cb 0.30 -0.44 -0.06 0.00 -0.01 0.00 0.00 39.48 39.28 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 0.64 -0.44 -0.62 -1.08 3.64 -0.26 -0.38 116.57 118.07 1smy h LYS 654 Ca 0.17 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.69 1smy h LYS 654 Cb 1.51 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 33.31 1smy h LYS 654 CO 0.34 -0.29 -0.32 -1.35 -2.27 0.00 0.00 179.45 175.56 1smy h PRO 655 N -0.46 -0.13 -0.33 1.90 0.11 -1.84 0.34 132.00 131.59 1smy h PRO 655 Ca -0.00 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.19 1smy h PRO 655 Cb 0.46 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1smy h PRO 655 CO -0.17 -0.09 0.23 0.74 -0.21 0.00 0.00 178.00 178.50 1smy h PHE 656 N -0.14 0.10 -0.03 0.65 -1.00 -1.85 -1.57 116.94 113.10 1smy h PHE 656 Ca 0.25 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.81 1smy h PHE 656 Cb 0.55 -0.03 0.02 0.00 3.61 0.00 0.00 35.95 40.09 1smy h PHE 656 CO -0.64 0.05 -0.85 1.25 -1.61 0.00 0.00 178.31 176.51 1smy h LEU 657 N 0.10 0.80 -0.07 1.54 5.85 0.13 -2.95 115.31 120.70 1smy h LEU 657 Ca 0.15 -0.72 0.04 0.00 0.84 0.00 0.00 57.88 58.19 1smy h LEU 657 Cb 0.48 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1smy h LEU 657 CO -0.02 1.41 -0.33 -0.07 -0.34 0.00 0.00 178.44 179.10 1smy h LEU 658 N 0.27 -1.00 -0.76 2.25 3.38 0.09 0.10 115.31 119.65 1smy h LEU 658 Ca -0.10 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1smy h LEU 658 Cb 1.51 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 42.63 1smy h LEU 658 CO 0.17 -0.37 0.49 0.50 0.09 0.00 0.00 178.44 179.31 1smy h LYS 659 N -0.44 0.95 -0.31 1.13 1.63 -1.59 -0.77 116.57 117.17 1smy h LYS 659 Ca 0.08 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1smy h LYS 659 Cb 0.56 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 1smy h LYS 659 CO -0.32 0.63 0.17 -0.22 -3.45 0.00 0.00 179.45 176.26 1smy h LYS 660 N 0.97 0.42 0.20 1.90 1.63 -1.18 -0.38 116.57 120.14 1smy h LYS 660 Ca 0.29 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1smy h LYS 660 Cb -0.04 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 1smy h LYS 660 CO -0.09 0.31 -0.10 0.52 -3.45 0.00 0.00 179.45 176.65 1smy h MET 661 N 0.43 -0.26 -0.81 1.90 2.86 0.64 -1.49 114.93 118.20 1smy h MET 661 Ca 0.11 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1smy h MET 661 Cb 0.01 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 1smy h MET 661 CO -0.02 -0.15 0.53 1.49 1.06 0.00 0.00 176.91 179.82 1smy h GLU 662 N -0.29 0.97 -0.89 1.72 4.81 -0.74 -0.37 114.58 119.80 1smy h GLU 662 Ca -0.03 -0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1smy h GLU 662 Cb 0.22 -0.22 -0.07 0.00 0.63 0.00 0.00 28.75 29.32 1smy h GLU 662 CO 0.04 0.64 0.57 0.93 -0.73 0.00 0.00 179.01 180.47 1smy h GLU 663 N 1.00 0.81 -6.70 1.92 4.39 -0.50 -3.42 114.58 112.08 1smy h GLU 663 Ca 0.32 -0.05 -0.49 0.00 0.34 0.00 0.00 59.36 59.48 1smy h GLU 663 Cb 0.04 -0.18 0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1smy h GLU 663 CO -0.09 0.54 -0.07 0.15 -1.16 0.00 0.00 179.01 178.37 1smy s LYS 664 N -5.78 2.22 0.11 2.33 1.02 -0.15 -5.00 119.74 114.49 1smy s LYS 664 Ca -0.11 -1.62 0.25 0.00 0.02 0.00 0.00 55.97 54.52 1smy s LYS 664 Cb 0.21 -2.62 0.97 0.00 -0.52 0.00 0.00 37.83 35.88 1smy s LYS 664 CO 0.79 -0.94 1.79 0.41 -0.92 0.00 0.00 175.35 176.47 1smy n GLY 665 N -2.32 -1.48 0.33 -3.33 0.00 -1.26 -4.08 105.19 93.06 1smy n GLY 665 Ca 0.16 -0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.30 1smy n GLY 665 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1smy h ILE 666 N 0.00 0.08 -3.99 -0.61 2.04 -1.91 -3.42 117.51 109.70 1smy h ILE 666 Ca 0.00 -0.02 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 1smy h ILE 666 Cb 0.53 0.03 -0.19 0.00 -0.74 0.00 0.00 36.82 36.45 1smy h ILE 666 CO 0.00 0.01 -0.66 0.00 0.00 0.00 0.00 178.15 177.50 1smy s ALA 667 N -5.94 0.17 0.03 1.87 0.00 -1.21 -4.99 121.76 111.69 1smy s ALA 667 Ca -0.12 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 1smy s ALA 667 Cb 0.29 0.19 -0.23 0.00 0.00 0.00 0.00 23.12 23.37 1smy s ALA 667 CO 0.78 -0.24 1.14 -1.35 0.00 0.00 0.00 175.76 176.09 1smy h PRO 668 N 4.11 0.54 -4.00 0.00 0.11 -1.89 -3.36 132.00 127.50 1smy h PRO 668 Ca -0.32 -0.57 -0.26 0.00 0.11 0.00 0.00 66.00 64.96 1smy h PRO 668 Cb 1.19 0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.39 1smy h PRO 668 CO 0.49 1.19 -0.13 0.54 -0.21 0.00 0.00 178.00 179.88 1smy s ASN 669 N -6.96 0.89 0.03 -2.05 4.22 -1.26 -4.86 114.94 104.95 1smy s ASN 669 Ca -0.12 -1.48 -0.13 0.00 -2.14 0.00 0.00 52.86 48.99 1smy s ASN 669 Cb 0.05 0.70 -0.06 0.00 1.28 0.00 0.00 41.25 43.22 1smy s ASN 669 CO 0.86 -1.37 1.20 0.58 -2.04 0.00 0.00 177.10 176.33 1smy h VAL 670 N 2.07 0.00 -1.10 3.54 2.07 -1.93 0.96 116.25 121.86 1smy h VAL 670 Ca -0.29 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.54 1smy h VAL 670 Cb 1.24 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 1smy h VAL 670 CO 0.39 0.00 0.72 0.50 0.02 0.00 0.00 177.57 179.20 1smy h LYS 671 N -0.35 0.29 0.62 1.57 3.11 -1.99 0.21 116.57 120.03 1smy h LYS 671 Ca -0.02 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.77 1smy h LYS 671 Cb 0.31 -0.06 0.01 0.00 -1.00 0.00 0.00 32.23 31.48 1smy h LYS 671 CO -0.03 0.19 -0.30 0.00 -2.81 0.00 0.00 179.45 176.50 1smy h ALA 672 N 1.59 -1.03 -1.06 5.00 0.00 -1.86 -2.51 119.26 119.40 1smy h ALA 672 Ca 0.63 -0.18 0.29 0.00 0.00 0.00 0.00 54.91 55.64 1smy h ALA 672 Cb 1.77 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 19.77 1smy h ALA 672 CO -0.29 -0.97 0.66 0.00 0.00 0.00 0.00 179.25 178.65 1smy h ALA 673 N -1.47 2.13 0.50 0.00 0.00 0.15 0.97 119.26 121.55 1smy h ALA 673 Ca -0.09 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1smy h ALA 673 Cb 0.64 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1smy h ALA 673 CO 0.14 -0.61 -0.24 0.00 0.00 0.00 0.00 179.25 178.54 1smy h ARG 674 N 0.40 -0.65 -0.93 0.00 3.08 -0.66 -2.54 114.38 113.08 1smy h ARG 674 Ca 0.65 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.85 1smy h ARG 674 Cb 1.57 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 31.70 1smy h ARG 674 CO -0.40 -0.35 0.60 0.00 -1.07 0.00 0.00 179.97 178.75 1smy h ARG 675 N -0.93 0.90 -0.76 0.04 3.08 -0.79 0.35 114.38 116.28 1smy h ARG 675 Ca -0.07 -0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.11 1smy h ARG 675 Cb 0.60 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1smy h ARG 675 CO 0.11 0.60 0.52 1.98 -1.07 0.00 0.00 179.97 182.11 1smy h MET 676 N 0.93 0.21 -0.01 0.04 4.05 -0.69 -0.34 114.93 119.12 1smy h MET 676 Ca 0.44 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.85 1smy h MET 676 Cb 0.43 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1smy h MET 676 CO -0.20 0.14 -0.59 1.28 0.23 0.00 0.00 176.91 177.77 1smy n LEU 677 N -4.42 1.41 0.13 3.39 4.77 0.98 -4.24 117.00 119.02 1smy n LEU 677 Ca 0.15 -0.65 0.17 0.00 -0.03 0.00 0.00 56.01 55.65 1smy n LEU 677 Cb 0.68 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.51 1smy n LEU 677 CO 0.35 0.29 1.15 1.05 -1.33 0.00 0.00 177.39 178.90 1smy h GLU 678 N 1.21 0.00 -5.44 3.23 4.11 0.98 -3.40 114.58 115.27 1smy h GLU 678 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.83 1smy h GLU 678 Cb 0.55 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.49 1smy h GLU 678 CO 0.00 0.00 -0.85 0.50 0.07 0.00 0.00 179.01 178.73 1smy s ARG 679 N -4.84 2.08 0.11 1.06 3.52 -1.26 -5.05 118.95 114.58 1smy s ARG 679 Ca -0.05 -0.70 -0.33 0.00 -0.13 0.00 0.00 55.73 54.52 1smy s ARG 679 Cb 0.17 -1.76 -0.12 0.00 -1.56 0.00 0.00 34.95 31.68 1smy s ARG 679 CO 0.63 0.26 1.56 0.37 -0.81 0.00 0.00 175.30 177.32 1smy h GLN 680 N 6.29 -0.64 0.00 5.12 4.15 -1.93 -1.48 115.11 126.63 1smy h GLN 680 Ca -0.31 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1smy h GLN 680 Cb 1.18 0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1smy h GLN 680 CO 0.47 -0.42 0.00 0.54 -1.93 0.00 0.00 178.83 177.49 1smy n ARG 681 N -5.46 0.00 -0.95 1.69 3.00 -1.26 -2.63 116.66 111.05 1smy n ARG 681 Ca -0.07 0.23 -0.09 0.00 -0.01 0.00 0.00 57.85 57.91 1smy n ARG 681 Cb 0.39 -1.50 0.23 0.00 0.00 0.00 0.00 32.46 31.59 1smy n ARG 681 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1smy n ASP 682 N -1.23 3.71 -4.26 0.55 9.92 -0.56 -4.94 116.55 119.74 1smy n ASP 682 Ca 0.00 -3.47 -0.35 0.00 -0.53 0.00 0.00 54.79 50.44 1smy n ASP 682 Cb 0.00 -0.72 -0.14 0.00 -0.64 0.00 0.00 41.12 39.62 1smy n ASP 682 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1smy s ILE 683 N -3.14 3.11 0.36 0.53 1.01 -1.08 -4.70 121.20 117.29 1smy s ILE 683 Ca 0.51 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 60.19 1smy s ILE 683 Cb 0.43 -2.45 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 1smy s ILE 683 CO 0.08 0.37 1.24 -0.54 0.00 0.00 0.00 174.94 176.08 1smy s LYS 684 N 1.42 4.23 0.65 2.79 1.02 -1.26 -4.89 119.74 123.70 1smy s LYS 684 Ca 0.04 2.04 0.34 0.00 0.02 0.00 0.00 55.97 58.40 1smy s LYS 684 Cb -0.15 -2.91 1.83 0.00 -0.52 0.00 0.00 37.83 36.08 1smy s LYS 684 CO -0.05 -0.23 2.03 -0.44 -0.92 0.00 0.00 175.35 175.74 1smy h ASP 685 N 3.09 0.00 0.06 2.83 3.32 -2.02 -0.98 116.42 122.71 1smy h ASP 685 Ca -0.49 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1smy h ASP 685 Cb 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1smy h ASP 685 CO 0.64 0.00 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.78 1smy h GLU 686 N 0.00 0.00 -0.69 3.56 3.07 -2.00 -1.95 114.58 116.56 1smy h GLU 686 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1smy h GLU 686 Cb 0.46 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1smy h GLU 686 CO 0.00 0.05 0.18 0.28 -1.40 0.00 0.00 179.01 178.12 1smy h VAL 687 N 0.00 1.26 -0.50 3.13 2.07 -1.55 -1.91 116.25 118.75 1smy h VAL 687 Ca -0.00 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1smy h VAL 687 Cb 0.09 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1smy h VAL 687 CO 0.01 0.36 0.33 -0.50 0.02 0.00 0.00 177.57 177.78 1smy h TRP 688 N 1.04 0.62 0.00 1.57 -0.00 -1.53 0.54 115.95 118.19 1smy h TRP 688 Ca 0.22 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.12 1smy h TRP 688 Cb 0.34 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.29 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 0.67 0.00 0.07 -3.49 3.32 -1.41 -1.66 116.42 113.92 1smy h ASP 689 Ca 0.18 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1smy h ASP 689 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1smy h ASP 689 CO -0.04 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 177.45 1smy h ALA 690 N 2.09 -0.09 0.37 3.45 0.00 0.73 -3.00 119.26 122.80 1smy h ALA 690 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1smy h ALA 690 Cb 0.61 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1smy h ALA 690 CO 0.00 -0.13 -0.52 1.25 0.00 0.00 0.00 179.25 179.85 1smy h LEU 691 N -0.93 -1.47 -1.56 0.00 5.85 -0.97 -0.62 115.31 115.59 1smy h LEU 691 Ca -0.01 0.13 0.23 0.00 0.84 0.00 0.00 57.88 59.08 1smy h LEU 691 Cb 0.55 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1smy h LEU 691 CO 0.02 -0.63 0.87 -0.33 -0.34 0.00 0.00 178.44 178.02 1smy h GLU 692 N -0.92 0.00 0.13 1.25 4.39 -1.45 0.35 114.58 118.33 1smy h GLU 692 Ca -0.04 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.38 1smy h GLU 692 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1smy h GLU 692 CO -0.15 0.00 -1.41 1.49 -1.16 0.00 0.00 179.01 177.78 1smy h GLU 693 N 0.00 0.28 -0.12 2.33 4.81 -1.09 -3.23 114.58 117.56 1smy h GLU 693 Ca 0.38 -0.47 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1smy h GLU 693 Cb 2.11 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.66 1smy h GLU 693 CO -0.00 1.23 0.07 0.28 -0.73 0.00 0.00 179.01 179.85 1smy h VAL 694 N -0.24 1.07 -0.25 0.32 2.07 0.11 -2.80 116.25 116.52 1smy h VAL 694 Ca -0.30 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1smy h VAL 694 Cb 1.81 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1smy h VAL 694 CO 0.09 0.06 0.17 0.40 0.02 0.00 0.00 177.57 178.31 1smy h ILE 695 N 0.12 1.02 -1.08 4.57 5.03 -1.22 -3.44 117.51 122.52 1smy h ILE 695 Ca 0.04 -0.09 -0.80 0.00 -0.12 0.00 0.00 64.86 63.89 1smy h ILE 695 Cb 0.04 0.73 0.04 0.00 -3.03 0.00 0.00 36.82 34.59 1smy h ILE 695 CO -0.01 0.05 0.31 1.57 -0.68 0.00 0.00 178.15 179.39 1smy n HIS 696 N -4.50 1.10 0.00 1.37 -0.00 -1.06 -1.61 115.22 110.52 1smy n HIS 696 Ca 0.01 1.03 0.00 0.00 0.46 0.00 0.00 57.72 59.22 1smy n HIS 696 Cb 0.13 -2.17 0.00 0.00 -0.12 0.00 0.00 29.99 27.83 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 2.42 2.11 3.39 1.57 0.00 -1.26 -5.01 105.19 108.41 1smy n GLY 697 Ca 0.23 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.86 -4.16 1.61 5.02 -0.63 -4.97 118.16 114.17 1smy n LYS 698 Ca 0.00 -0.22 -0.10 0.00 -2.02 0.00 0.00 58.31 55.97 1smy n LYS 698 Cb 0.00 -1.85 -0.10 0.00 -0.02 0.00 0.00 35.03 33.06 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 -2.36 0.34 0.38 -0.18 -7.23 -1.26 -4.43 120.40 105.67 1smy s VAL 699 Ca 0.58 -1.91 0.07 0.00 -1.81 0.00 0.00 61.98 58.91 1smy s VAL 699 Cb -0.18 -1.89 -0.07 0.00 0.56 0.00 0.00 36.38 34.79 1smy s VAL 699 CO 0.66 -0.65 0.01 0.68 -0.31 0.00 0.00 175.10 175.49 1smy s VAL 700 N -3.87 1.87 0.04 1.32 -7.23 0.08 -4.54 120.40 108.08 1smy s VAL 700 Ca 0.18 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 1smy s VAL 700 Cb 0.07 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1smy s VAL 700 CO -0.01 -0.03 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.93 1smy s LEU 701 N -3.65 3.25 -0.02 1.32 1.02 -1.09 -1.74 118.68 117.76 1smy s LEU 701 Ca 0.35 -0.19 0.05 0.00 0.02 0.00 0.00 54.13 54.36 1smy s LEU 701 Cb 0.09 -1.93 -0.01 0.00 0.02 0.00 0.00 46.19 44.35 1smy s LEU 701 CO 0.17 0.23 -0.17 -0.76 0.02 0.00 0.00 176.35 175.84 1smy s LEU 702 N -1.81 1.99 0.25 1.79 1.02 -0.75 -2.35 118.68 118.81 1smy s LEU 702 Ca 0.20 -0.33 0.11 0.00 0.02 0.00 0.00 54.13 54.13 1smy s LEU 702 Cb -0.11 -0.93 -0.05 0.00 0.02 0.00 0.00 46.19 45.12 1smy s LEU 702 CO 0.12 0.19 -0.13 0.21 0.02 0.00 0.00 176.35 176.76 1smy s ASN 703 N -0.24 3.98 0.31 2.29 3.04 -0.93 -2.78 114.94 120.60 1smy s ASN 703 Ca 0.03 -0.81 0.09 0.00 0.04 0.00 0.00 52.86 52.20 1smy s ASN 703 Cb -0.09 -0.54 -0.06 0.00 -1.54 0.00 0.00 41.25 39.03 1smy s ASN 703 CO 0.00 0.05 -0.10 -0.60 -3.04 0.00 0.00 177.10 173.42 1smy s ARG 704 N -3.33 1.68 0.00 0.43 6.06 -1.19 -1.99 118.95 120.61 1smy s ARG 704 Ca 0.28 -1.85 0.00 0.00 -2.50 0.00 0.00 55.73 51.66 1smy s ARG 704 Cb -0.06 -1.49 0.00 0.00 0.06 0.00 0.00 34.95 33.46 1smy s ARG 704 CO 0.16 0.13 0.52 0.00 -2.50 0.00 0.00 175.30 173.60 1smy n ALA 705 N -0.68 -0.01 -2.53 6.12 0.00 -1.26 -3.95 120.51 118.20 1smy n ALA 705 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 1smy n ALA 705 Cb 0.63 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 20.17 1smy n ALA 705 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1smy s PRO 706 N -1.06 3.38 -1.15 0.00 0.05 -1.26 -4.94 135.00 130.01 1smy s PRO 706 Ca 0.00 -0.29 -0.21 0.00 0.05 0.00 0.00 61.00 60.55 1smy s PRO 706 Cb 0.00 -3.91 0.02 0.00 0.05 0.00 0.00 34.50 30.66 1smy s PRO 706 CO 0.00 -0.92 1.73 0.99 0.05 0.00 0.00 177.00 178.85 1smy s THR 707 N 2.73 3.87 -0.12 1.26 2.01 -1.25 -4.77 115.64 119.36 1smy s THR 707 Ca 0.22 -1.22 -0.24 0.00 0.31 0.00 0.00 61.69 60.76 1smy s THR 707 Cb -0.14 -4.89 -0.27 0.00 0.01 0.00 0.00 72.50 67.21 1smy s THR 707 CO 0.17 -1.66 0.69 -0.07 -0.69 0.00 0.00 174.62 173.06 1smy h LEU 708 N 14.34 0.18 -9.44 4.42 3.38 -1.94 -3.48 115.31 122.77 1smy h LEU 708 Ca 0.29 -0.89 -0.54 0.00 0.09 0.00 0.00 57.88 56.83 1smy h LEU 708 Cb 0.94 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.49 1smy h LEU 708 CO 1.37 1.27 -0.58 -1.38 0.09 0.00 0.00 178.44 179.21 1smy s HIS 709 N -2.34 2.06 0.42 1.13 -3.43 -1.26 -4.58 115.29 107.29 1smy s HIS 709 Ca -0.19 -0.94 0.23 0.00 -0.80 0.00 0.00 55.06 53.36 1smy s HIS 709 Cb 0.00 -1.41 1.22 0.00 -1.43 0.00 0.00 32.58 30.97 1smy s HIS 709 CO 0.72 0.09 1.73 0.07 -2.00 0.00 0.00 174.74 175.35 1smy h ARG 710 N 1.91 0.27 0.00 -0.38 0.11 -1.95 0.29 114.38 114.64 1smy h ARG 710 Ca -0.41 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1smy h ARG 710 Cb 1.25 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1smy h ARG 710 CO 0.71 0.18 0.00 1.28 0.10 0.00 0.00 179.97 182.24 1smy n LEU 711 N -4.61 0.00 0.00 0.08 7.99 -1.26 -2.82 117.00 116.38 1smy n LEU 711 Ca 0.28 0.45 0.02 0.00 -0.01 0.00 0.00 56.01 56.75 1smy n LEU 711 Cb 1.05 -0.45 0.11 0.00 -0.11 0.00 0.00 43.42 44.03 1smy n LEU 711 CO 0.25 -0.25 0.39 0.61 -1.51 0.00 0.00 177.39 176.88 1smy n GLY 712 N -0.15 -0.20 2.73 -0.72 0.00 0.10 -4.07 105.19 102.89 1smy n GLY 712 Ca 0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.14 -0.10 0.12 -0.61 1.01 -1.13 -3.16 121.20 115.19 1smy s ILE 713 Ca 0.05 0.34 0.02 0.00 0.00 0.00 0.00 60.65 61.07 1smy s ILE 713 Cb 0.03 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.31 1smy s ILE 713 CO 0.05 0.14 -0.07 -1.10 0.00 0.00 0.00 174.94 173.96 1smy s GLN 714 N 1.78 0.91 -0.02 2.79 -0.21 -1.12 -4.95 119.66 118.85 1smy s GLN 714 Ca -0.00 -1.38 -0.00 0.00 0.02 0.00 0.00 55.36 53.99 1smy s GLN 714 Cb -0.12 -0.31 -0.04 0.00 1.00 0.00 0.00 33.01 33.54 1smy s GLN 714 CO -0.03 -0.00 0.04 0.00 -2.12 0.00 0.00 175.29 173.17 1smy s ALA 715 N -3.55 3.43 0.13 6.09 0.00 -0.17 -1.81 121.76 125.88 1smy s ALA 715 Ca 0.14 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 1smy s ALA 715 Cb 0.05 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.67 1smy s ALA 715 CO -0.03 0.65 0.24 -0.06 0.00 0.00 0.00 175.76 176.57 1smy s PHE 716 N -1.10 0.28 -0.26 0.00 0.40 -0.71 -0.44 117.98 116.15 1smy s PHE 716 Ca 0.20 -0.67 -0.18 0.00 -0.60 0.00 0.00 56.93 55.68 1smy s PHE 716 Cb -0.12 -0.06 -0.03 0.00 0.51 0.00 0.00 43.02 43.33 1smy s PHE 716 CO 0.10 -0.64 0.51 -1.14 0.70 0.00 0.00 175.22 174.75 1smy s GLN 717 N -3.92 4.07 0.78 0.44 0.74 -0.92 -0.74 119.66 120.12 1smy s GLN 717 Ca 0.12 0.32 -0.12 0.00 0.05 0.00 0.00 55.36 55.72 1smy s GLN 717 Cb 0.04 -3.65 0.07 0.00 1.10 0.00 0.00 33.01 30.57 1smy s GLN 717 CO -0.05 -0.34 1.14 -2.14 -0.55 0.00 0.00 175.29 173.34 1smy s PRO 718 N 2.29 1.99 -0.38 1.67 0.02 -1.26 -2.69 135.00 136.64 1smy s PRO 718 Ca 0.21 1.47 0.01 0.00 0.02 0.00 0.00 61.00 62.71 1smy s PRO 718 Cb -0.16 -1.84 0.15 0.00 0.02 0.00 0.00 34.50 32.67 1smy s PRO 718 CO 0.09 -1.89 0.25 0.08 -0.33 0.00 0.00 177.00 175.20 1smy s VAL 719 N -2.49 0.30 0.03 3.83 1.01 -0.94 -4.88 120.40 117.26 1smy s VAL 719 Ca 0.67 -2.04 -0.36 0.00 0.00 0.00 0.00 61.98 60.25 1smy s VAL 719 Cb -0.22 -1.22 -0.19 0.00 0.00 0.00 0.00 36.38 34.75 1smy s VAL 719 CO 0.51 -1.05 0.92 0.18 0.00 0.00 0.00 175.10 175.66 1smy n LEU 720 N 3.67 -0.22 -4.04 3.92 4.77 -1.26 -3.48 117.00 120.37 1smy n LEU 720 Ca 0.17 1.10 -0.09 0.00 -0.03 0.00 0.00 56.01 57.16 1smy n LEU 720 Cb 0.40 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 40.50 1smy n LEU 720 CO 0.13 -2.00 -0.36 0.68 -1.33 0.00 0.00 177.39 174.51 1smy s VAL 721 N -0.17 0.21 0.96 4.08 -7.23 -0.02 -4.83 120.40 113.40 1smy s VAL 721 Ca 0.82 -1.31 -0.14 0.00 -1.81 0.00 0.00 61.98 59.54 1smy s VAL 721 Cb -1.15 -0.83 0.17 0.00 0.56 0.00 0.00 36.38 35.13 1smy s VAL 721 CO 0.54 -0.70 1.15 -1.61 -0.31 0.00 0.00 175.10 174.17 1smy s GLU 722 N -2.52 0.69 0.23 4.82 0.41 -1.26 -0.82 118.70 120.25 1smy s GLU 722 Ca -0.06 0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 1smy s GLU 722 Cb -0.02 -1.80 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 1smy s GLU 722 CO -0.05 -2.48 0.00 0.41 -0.49 0.00 0.00 175.26 172.66 1smy n GLY 723 N -2.17 -2.51 0.13 -1.39 0.00 -1.26 -4.78 105.19 93.21 1smy n GLY 723 Ca 0.08 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.14 0.60 -1.42 1.61 -0.06 -1.26 -4.75 117.38 111.96 1smy n GLN 724 Ca 0.00 0.31 -0.34 0.00 -2.00 0.00 0.00 57.00 54.98 1smy n GLN 724 Cb 0.00 -1.56 0.09 0.00 -4.06 0.00 0.00 30.24 24.71 1smy n GLN 724 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1smy s SER 725 N -7.23 4.25 -0.15 1.69 0.01 -1.26 -4.68 113.70 106.34 1smy s SER 725 Ca -0.36 2.26 -0.07 0.00 1.31 0.00 0.00 55.95 59.09 1smy s SER 725 Cb 0.12 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1smy s SER 725 CO 0.54 -2.22 0.12 -0.63 0.41 0.00 0.00 173.24 171.46 1smy s ILE 726 N -2.13 5.31 -0.40 1.44 1.01 0.14 -4.27 121.20 122.30 1smy s ILE 726 Ca 0.72 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 61.38 1smy s ILE 726 Cb -0.27 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1smy s ILE 726 CO 0.46 0.55 0.26 -1.10 0.00 0.00 0.00 174.94 175.11 1smy s GLN 727 N -0.49 2.90 0.12 2.79 -0.21 0.42 -0.02 119.66 125.18 1smy s GLN 727 Ca 0.12 -1.05 0.03 0.00 0.02 0.00 0.00 55.36 54.48 1smy s GLN 727 Cb -0.12 -3.88 -0.04 0.00 1.00 0.00 0.00 33.01 29.98 1smy s GLN 727 CO 0.02 -0.73 0.18 -1.17 -2.12 0.00 0.00 175.29 171.47 1smy s LEU 728 N 1.63 4.07 0.36 2.90 2.96 -1.07 0.18 118.68 129.71 1smy s LEU 728 Ca 0.04 0.06 -0.25 0.00 -0.22 0.00 0.00 54.13 53.76 1smy s LEU 728 Cb -0.19 -2.68 -0.10 0.00 0.50 0.00 0.00 46.19 43.72 1smy s LEU 728 CO 0.09 0.10 0.98 -2.28 -1.32 0.00 0.00 176.35 173.92 1smy s HIS 729 N -1.63 3.49 0.26 5.38 5.65 -1.26 -0.17 115.29 127.01 1smy s HIS 729 Ca 0.32 1.71 0.09 0.00 0.25 0.00 0.00 55.06 57.43 1smy s HIS 729 Cb -0.11 -2.99 0.32 0.00 -1.18 0.00 0.00 32.58 28.62 1smy s HIS 729 CO 0.26 -0.14 1.59 -1.00 -0.65 0.00 0.00 174.74 174.80 1smy h PRO 730 N 2.78 0.06 -0.24 2.88 0.13 -1.92 -3.30 132.00 132.39 1smy h PRO 730 Ca -0.48 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1smy h PRO 730 Cb 1.20 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1smy h PRO 730 CO 0.64 0.66 0.12 -0.07 -0.23 0.00 0.00 178.00 179.11 1smy h LEU 731 N 0.04 0.31 0.00 1.56 3.38 -1.93 -1.36 115.31 117.32 1smy h LEU 731 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1smy h LEU 731 Cb 1.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1smy h LEU 731 CO 0.08 0.35 0.00 1.33 0.09 0.00 0.00 178.44 180.29 1smy n VAL 732 N -4.83 0.00 0.62 1.22 0.24 -1.25 -2.58 118.33 111.75 1smy n VAL 732 Ca -0.03 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.34 1smy n VAL 732 Cb 0.10 -0.52 0.34 0.00 -1.47 0.00 0.00 33.84 32.28 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 -0.12 0.00 4.57 -1.67 -3.24 114.58 114.12 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 0.14 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1smy h GLU 734 CO 0.00 0.44 -0.37 0.00 -1.18 0.00 0.00 179.01 177.90 1smy h ALA 735 N -0.60 -0.73 -2.27 2.92 0.00 -1.69 -3.33 119.26 113.55 1smy h ALA 735 Ca -0.02 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.29 1smy h ALA 735 Cb 0.50 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1smy h ALA 735 CO -0.02 -0.86 0.64 -0.06 0.00 0.00 0.00 179.25 178.96 1smy s PHE 736 N -4.80 3.35 -1.02 0.00 0.40 -1.16 -4.82 117.98 109.93 1smy s PHE 736 Ca -0.10 1.41 -0.23 0.00 -0.60 0.00 0.00 56.93 57.40 1smy s PHE 736 Cb 0.05 -3.30 -0.13 0.00 0.51 0.00 0.00 43.02 40.14 1smy s PHE 736 CO 0.41 -0.75 1.93 -1.71 0.70 0.00 0.00 175.22 175.79 1smy n ASN 737 N 5.19 2.69 -4.07 1.36 4.05 -1.25 -4.67 115.26 118.55 1smy n ASN 737 Ca 0.10 -2.67 -0.28 0.00 0.45 0.00 0.00 54.58 52.18 1smy n ASN 737 Cb 0.47 -1.52 -0.17 0.00 1.23 0.00 0.00 39.78 39.79 1smy n ASN 737 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1smy s ALA 738 N 9.94 1.64 0.00 5.20 0.00 -1.22 -5.00 121.76 132.32 1smy s ALA 738 Ca 0.67 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1smy s ALA 738 Cb 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1smy s ALA 738 CO 0.15 0.03 0.00 -0.25 0.00 0.00 0.00 175.76 175.69 1smy n ASP 739 N 4.00 0.10 -1.99 0.00 9.92 -1.26 -4.87 116.55 122.43 1smy n ASP 739 Ca -0.20 -0.62 -0.09 0.00 -0.53 0.00 0.00 54.79 53.35 1smy n ASP 739 Cb 0.52 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 41.05 1smy n ASP 739 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1smy n PHE 740 N -0.59 1.54 -0.09 1.24 3.01 -1.26 -4.52 117.46 116.78 1smy n PHE 740 Ca 0.00 -1.88 0.05 0.00 1.01 0.00 0.00 57.45 56.62 1smy n PHE 740 Cb 0.00 -0.27 0.24 0.00 -0.01 0.00 0.00 39.48 39.44 1smy n PHE 740 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1smy n ASP 741 N -0.60 3.76 0.00 4.37 5.68 -1.26 -4.77 116.55 123.73 1smy n ASP 741 Ca 0.24 -2.51 0.00 0.00 -0.50 0.00 0.00 54.79 52.02 1smy n ASP 741 Cb 0.89 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1smy n ASP 741 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1smy n GLY 742 N 0.47 1.02 3.62 6.12 0.00 -1.26 -5.09 105.19 110.07 1smy n GLY 742 Ca 0.17 0.00 -0.49 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 2.23 -4.51 1.61 8.00 -1.26 -4.74 116.55 117.88 1smy n ASP 743 Ca 0.00 1.11 -0.34 0.00 0.71 0.00 0.00 54.79 56.27 1smy n ASP 743 Cb 0.00 -1.30 -0.12 0.00 -0.02 0.00 0.00 41.12 39.69 1smy n ASP 743 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1smy s GLN 744 N 0.52 3.70 0.34 -1.24 -0.21 -1.26 -3.01 119.66 118.50 1smy s GLN 744 Ca 0.80 -0.50 0.06 0.00 0.02 0.00 0.00 55.36 55.74 1smy s GLN 744 Cb -0.82 -2.94 -0.01 0.00 1.00 0.00 0.00 33.01 30.24 1smy s GLN 744 CO 0.44 0.24 0.49 -1.64 -2.12 0.00 0.00 175.29 172.70 1smy s MET 745 N 0.36 3.14 0.53 2.91 -1.94 -1.12 -4.48 119.30 118.70 1smy s MET 745 Ca -0.04 -0.92 0.04 0.00 -1.71 0.00 0.00 55.69 53.06 1smy s MET 745 Cb -0.14 -2.79 0.02 0.00 2.01 0.00 0.00 34.83 33.93 1smy s MET 745 CO 0.03 0.05 0.25 0.00 -0.01 0.00 0.00 175.02 175.33 1smy s ALA 746 N -2.21 4.33 -0.27 3.03 0.00 -0.84 -2.82 121.76 122.99 1smy s ALA 746 Ca 0.45 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 51.35 1smy s ALA 746 Cb -0.10 -0.43 0.07 0.00 0.00 0.00 0.00 23.12 22.66 1smy s ALA 746 CO 0.32 -0.28 0.68 0.54 0.00 0.00 0.00 175.76 177.02 1smy s VAL 747 N -2.82 -0.00 0.37 0.00 0.11 -0.04 -2.20 120.40 115.83 1smy s VAL 747 Ca 0.22 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.36 1smy s VAL 747 Cb -0.01 -0.97 -0.07 0.00 -1.53 0.00 0.00 36.38 33.80 1smy s VAL 747 CO 0.14 0.00 -0.04 -1.00 -3.33 0.00 0.00 175.10 170.87 1smy s HIS 748 N 1.04 2.47 -0.17 1.54 3.76 -0.99 0.11 115.29 123.05 1smy s HIS 748 Ca -0.05 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.30 1smy s HIS 748 Cb -0.05 -1.57 0.02 0.00 1.11 0.00 0.00 32.58 32.09 1smy s HIS 748 CO -0.10 0.51 -0.20 0.08 -0.85 0.00 0.00 174.74 174.18 1smy s VAL 749 N -2.64 2.04 -0.21 -0.90 1.01 -0.26 -2.67 120.40 116.78 1smy s VAL 749 Ca 0.34 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 1smy s VAL 749 Cb 0.05 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1smy s VAL 749 CO 0.18 0.54 0.98 -2.16 0.00 0.00 0.00 175.10 174.64 1smy s PRO 750 N 1.16 4.27 -0.05 2.72 0.04 -1.26 -4.92 135.00 136.96 1smy s PRO 750 Ca 0.01 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.29 1smy s PRO 750 Cb -0.14 -3.62 -0.01 0.00 0.04 0.00 0.00 34.50 30.77 1smy s PRO 750 CO -0.10 -0.54 -0.05 -0.07 0.04 0.00 0.00 177.00 176.28 1smy h LEU 751 N 9.12 0.00 -9.49 -3.56 3.38 -1.97 -3.42 115.31 109.37 1smy h LEU 751 Ca -0.22 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.14 1smy h LEU 751 Cb 1.08 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.94 1smy h LEU 751 CO 0.93 0.24 0.22 -1.54 0.09 0.00 0.00 178.44 178.39 1smy n SER 752 N -3.04 1.56 0.10 -0.43 3.41 -1.26 -4.74 113.62 109.23 1smy n SER 752 Ca -0.02 1.17 0.20 0.00 -0.26 0.00 0.00 58.87 59.96 1smy n SER 752 Cb 0.08 -1.31 0.74 0.00 -0.26 0.00 0.00 64.21 63.46 1smy n SER 752 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1smy h SER 753 N 2.42 0.00 0.27 4.04 0.87 -1.99 0.31 113.55 119.46 1smy h SER 753 Ca -0.41 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1smy h SER 753 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1smy h SER 753 CO 0.63 0.00 -0.13 0.15 -0.53 0.00 0.00 176.83 176.95 1smy h PHE 754 N 0.00 -0.33 -0.71 2.24 -0.00 -1.99 -2.14 116.94 114.01 1smy h PHE 754 Ca 0.19 -0.01 0.12 0.00 -0.00 0.00 0.00 57.97 58.27 1smy h PHE 754 Cb 1.08 0.11 -0.09 0.00 -0.00 0.00 0.00 35.95 37.05 1smy h PHE 754 CO 0.00 0.01 0.29 0.00 -0.00 0.00 0.00 178.31 178.61 1smy h ALA 755 N -0.56 0.98 -0.82 2.41 0.00 -1.32 0.22 119.26 120.16 1smy h ALA 755 Ca -0.04 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1smy h ALA 755 Cb 0.49 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1smy h ALA 755 CO 0.06 -0.18 0.44 0.37 0.00 0.00 0.00 179.25 179.94 1smy h GLN 756 N 0.45 1.15 0.51 0.00 5.75 -1.34 0.21 115.11 121.84 1smy h GLN 756 Ca 0.38 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1smy h GLN 756 Cb 0.53 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1smy h GLN 756 CO -0.36 0.85 -0.38 0.00 -2.65 0.00 0.00 178.83 176.29 1smy h ALA 757 N 1.23 -1.13 -0.50 3.38 0.00 0.07 -1.69 119.26 120.61 1smy h ALA 757 Ca 0.29 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1smy h ALA 757 Cb 0.05 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1smy h ALA 757 CO -0.04 -1.12 0.24 1.05 0.00 0.00 0.00 179.25 179.37 1smy h GLU 758 N -0.85 0.46 -0.45 0.00 4.11 -1.02 -2.46 114.58 114.37 1smy h GLU 758 Ca -0.07 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.40 1smy h GLU 758 Cb 0.70 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 1smy h GLU 758 CO 0.03 0.30 -0.50 0.00 0.07 0.00 0.00 179.01 178.92 1smy h ALA 759 N 1.28 -0.58 -0.00 1.06 0.00 -0.28 0.31 119.26 121.05 1smy h ALA 759 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1smy h ALA 759 Cb 0.16 1.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1smy h ALA 759 CO -0.17 -0.95 -0.20 2.89 0.00 0.00 0.00 179.25 180.82 1smy n ARG 760 N -5.39 0.28 -0.08 0.00 1.85 -0.66 -0.91 116.66 111.74 1smy n ARG 760 Ca -0.01 -0.10 -0.10 0.00 -1.00 0.00 0.00 57.85 56.63 1smy n ARG 760 Cb 0.35 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.22 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 -1.27 1.46 0.07 8.89 5.41 -0.79 -4.18 119.36 128.95 1smy n ILE 761 Ca 0.10 0.12 0.07 0.00 1.00 0.00 0.00 62.75 64.03 1smy n ILE 761 Cb 0.31 -2.29 0.14 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 2.11 0.00 0.38 10.64 0.03 -4.51 117.38 121.50 1smy n GLN 762 Ca -0.16 -1.84 0.00 0.00 -1.83 0.00 0.00 57.00 53.16 1smy n GLN 762 Cb 0.43 -1.30 0.00 0.00 -0.86 0.00 0.00 30.24 28.51 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 0.74 0.15 -1.83 2.61 1.56 -0.82 -4.96 117.12 114.57 1smy n MET 763 Ca 0.12 -0.18 -0.36 0.00 -0.27 0.00 0.00 57.70 57.01 1smy n MET 763 Cb 0.42 -0.63 0.06 0.00 2.15 0.00 0.00 33.22 35.21 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 -0.15 3.58 0.09 -0.89 2.96 -0.09 -1.00 118.68 123.18 1smy s LEU 764 Ca 0.00 2.47 -0.17 0.00 -0.22 0.00 0.00 54.13 56.20 1smy s LEU 764 Cb 0.00 -4.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.01 1smy s LEU 764 CO 0.00 -1.84 1.49 -1.28 -1.32 0.00 0.00 176.35 173.40 1smy h SER 765 N 0.58 0.52 0.29 3.68 0.87 -1.07 -3.13 113.55 115.29 1smy h SER 765 Ca -0.50 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 1smy h SER 765 Cb 1.31 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1smy h SER 765 CO 0.54 0.76 0.00 0.00 -0.53 0.00 0.00 176.83 177.59 1smy n ALA 766 N -2.39 2.03 0.29 6.23 0.00 -1.26 -2.64 120.51 122.77 1smy n ALA 766 Ca -0.03 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1smy n ALA 766 Cb 0.30 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.24 0.14 -3.24 0.00 8.25 -1.18 -4.57 115.22 113.38 1smy n HIS 767 Ca 0.10 0.04 -0.34 0.00 -0.26 0.00 0.00 57.72 57.26 1smy n HIS 767 Cb 0.13 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 30.76 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 -2.10 4.90 -0.03 0.41 5.03 -1.08 -4.83 115.26 117.55 1smy n ASN 768 Ca -0.01 -3.44 -0.16 0.00 0.87 0.00 0.00 54.58 51.84 1smy n ASN 768 Cb 0.50 -0.92 -0.13 0.00 -1.02 0.00 0.00 39.78 38.21 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 0.15-10.09 3.41 3.38 -1.81 -3.47 115.31 111.55 1smy h LEU 769 Ca 0.20 -0.93 -0.46 0.00 0.09 0.00 0.00 57.88 56.79 1smy h LEU 769 Cb 0.63 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1smy h LEU 769 CO 1.05 1.07 0.36 -0.76 0.09 0.00 0.00 178.44 180.24 1smy s LEU 770 N -8.23 3.84 0.31 1.67 1.43 -1.25 -1.70 118.68 114.74 1smy s LEU 770 Ca -0.17 1.77 -0.21 0.00 -1.03 0.00 0.00 54.13 54.49 1smy s LEU 770 Cb -0.01 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 1smy s LEU 770 CO 0.73 -0.59 0.83 -0.55 0.23 0.00 0.00 176.35 177.01 1smy s SER 771 N -2.25 7.07 0.40 2.29 0.15 -0.75 -4.77 113.70 115.85 1smy s SER 771 Ca 0.64 1.57 0.22 0.00 0.70 0.00 0.00 55.95 59.07 1smy s SER 771 Cb -0.12 -2.48 0.67 0.00 -1.71 0.00 0.00 66.02 62.38 1smy s SER 771 CO 0.19 -0.11 1.72 -0.65 1.20 0.00 0.00 173.24 175.58 1smy h PRO 772 N 2.85 0.00 0.00 5.44 0.11 -1.91 -3.31 132.00 135.18 1smy h PRO 772 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 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 0.64 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 1smy n ALA 773 N -2.22 -0.19 -2.59 -0.75 0.00 -1.26 -4.85 120.51 108.66 1smy n ALA 773 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1smy n ALA 773 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.43 4.49 0.10 0.00 1.04 -1.25 -2.12 113.70 113.53 1smy s SER 774 Ca 0.00 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.18 1smy s SER 774 Cb 0.00 -0.92 0.35 0.00 0.10 0.00 0.00 66.02 65.55 1smy s SER 774 CO 0.00 0.20 1.19 0.61 0.98 0.00 0.00 173.24 176.22 1smy n GLY 775 N 0.90 -0.60 3.51 7.32 0.00 -1.26 -3.50 105.19 111.57 1smy n GLY 775 Ca -0.14 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.72 0.45 -2.24 1.61 -0.58 -1.26 -4.43 120.64 112.47 1smy n GLU 776 Ca -0.00 0.19 -0.41 0.00 -0.42 0.00 0.00 57.16 56.52 1smy n GLU 776 Cb 0.02 -1.93 -0.03 0.00 -0.57 0.00 0.00 31.44 28.93 1smy n GLU 776 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1smy s PRO 777 N -2.77 4.40 -0.09 3.49 0.02 -1.26 -1.81 135.00 136.98 1smy s PRO 777 Ca 0.69 2.03 0.09 0.00 0.02 0.00 0.00 61.00 63.83 1smy s PRO 777 Cb -0.37 -3.20 -0.24 0.00 0.02 0.00 0.00 34.50 30.71 1smy s PRO 777 CO 0.54 -0.23 0.48 -0.11 -0.33 0.00 0.00 177.00 177.35 1smy n LEU 778 N 2.59 1.20 -4.24 -5.54 7.94 -0.69 -4.62 117.00 113.64 1smy n LEU 778 Ca 0.06 0.29 -0.42 0.00 -1.11 0.00 0.00 56.01 54.83 1smy n LEU 778 Cb 0.43 -0.09 -0.04 0.00 0.53 0.00 0.00 43.42 44.25 1smy n LEU 778 CO 0.58 0.52 0.41 0.00 -1.11 0.00 0.00 177.39 177.78 1smy s ALA 779 N -2.57 4.15 0.26 1.96 0.00 -1.21 -4.49 121.76 119.85 1smy s ALA 779 Ca -0.10 -3.52 0.10 0.00 0.00 0.00 0.00 51.96 48.43 1smy s ALA 779 Cb 0.07 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1smy s ALA 779 CO 0.80 -2.20 -0.16 -1.59 0.00 0.00 0.00 175.76 172.61 1smy s LYS 780 N -0.47 1.55 -0.30 0.00 -2.85 -1.26 -5.03 119.74 111.38 1smy s LYS 780 Ca 0.22 -1.72 -0.34 0.00 -1.00 0.00 0.00 55.97 53.14 1smy s LYS 780 Cb -0.12 -1.47 -0.10 0.00 -2.06 0.00 0.00 37.83 34.08 1smy s LYS 780 CO -0.08 0.23 2.17 -2.30 0.10 0.00 0.00 175.35 175.47 1smy n PRO 781 N -0.54 1.35 0.00 1.78 -0.02 -1.26 -4.89 135.00 131.42 1smy n PRO 781 Ca -0.06 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1smy n PRO 781 Cb 0.61 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 9.95 0.00 0.00 2.55 7.64 -1.26 -4.60 113.62 127.90 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 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.39 1.43 1.74 -1.26 -4.23 116.66 114.72 1smy n ARG 783 Ca 0.00 0.29 -0.19 0.00 -0.77 0.00 0.00 57.85 57.18 1smy n ARG 783 Cb 0.00 -0.77 -0.10 0.00 -1.02 0.00 0.00 32.46 30.57 1smy n ARG 783 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1smy h ASP 784 N 0.00 -1.32 -0.93 0.55 3.32 -1.94 -3.19 116.42 112.91 1smy h ASP 784 Ca 0.00 0.09 0.19 0.00 0.02 0.00 0.00 57.03 57.33 1smy h ASP 784 Cb 0.00 0.41 -0.18 0.00 0.22 0.00 0.00 39.33 39.78 1smy h ASP 784 CO 0.00 -0.73 -0.21 -0.38 -1.72 0.00 0.00 179.24 176.20 1smy n ILE 785 N -5.61 -0.39 0.01 0.35 -0.00 -1.26 -0.51 119.36 111.94 1smy n ILE 785 Ca -0.14 2.13 -0.02 0.00 -0.00 0.00 0.00 62.75 64.72 1smy n ILE 785 Cb 0.49 -2.96 -0.01 0.00 -0.00 0.00 0.00 39.64 37.16 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 -0.78 1.39 2.04 -1.72 0.11 117.51 118.55 1smy h ILE 786 Ca 0.46 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.58 1smy h ILE 786 Cb 0.73 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.67 1smy h ILE 786 CO -0.95 0.00 0.20 -0.11 0.00 0.00 0.00 178.15 177.28 1smy n LEU 787 N -2.72 0.07 0.00 1.44 7.94 0.33 0.60 117.00 124.66 1smy n LEU 787 Ca -0.01 1.31 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 1smy n LEU 787 Cb 0.04 -0.55 0.00 0.00 0.53 0.00 0.00 43.42 43.44 1smy n LEU 787 CO 0.02 -1.38 0.33 0.61 -1.11 0.00 0.00 177.39 175.85 1smy n GLY 788 N -1.31 -1.92 0.26 -3.96 0.00 -0.33 -2.12 105.19 95.82 1smy n GLY 788 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 0.23 -0.34 115.31 119.57 1smy h LEU 789 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 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 -0.37 0.22 0.09 0.00 0.00 178.44 178.38 1smy h TYR 790 N 0.00 0.00 -0.96 1.13 5.03 0.21 -3.26 116.97 119.12 1smy h TYR 790 Ca 0.00 0.00 0.18 0.00 2.58 0.00 0.00 58.73 61.49 1smy h TYR 790 Cb 1.16 0.00 -0.09 0.00 1.55 0.00 0.00 36.73 39.35 1smy h TYR 790 CO 0.00 0.64 0.61 -0.92 -1.32 0.00 0.00 178.16 177.16 1smy h TYR 791 N -1.00 0.88 -0.23 -3.82 3.20 -0.51 -1.59 116.97 113.89 1smy h TYR 791 Ca -0.08 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 1smy h TYR 791 Cb 0.69 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1smy h TYR 791 CO 0.07 0.24 -0.20 0.97 -1.64 0.00 0.00 178.16 177.59 1smy h ILE 792 N 0.67 1.32 -3.47 1.81 6.09 -1.66 -3.37 117.51 118.90 1smy h ILE 792 Ca 0.52 -1.35 -0.78 0.00 -1.37 0.00 0.00 64.86 61.88 1smy h ILE 792 Cb 0.93 1.68 -0.25 0.00 0.47 0.00 0.00 36.82 39.64 1smy h ILE 792 CO -0.28 0.42 0.39 0.42 -3.07 0.00 0.00 178.15 176.02 1smy s THR 793 N -4.39 5.61 0.11 2.19 -4.23 -0.60 -4.00 115.64 110.34 1smy s THR 793 Ca -0.13 -2.71 -0.25 0.00 -1.18 0.00 0.00 61.69 57.42 1smy s THR 793 Cb 0.07 -4.58 0.07 0.00 1.34 0.00 0.00 72.50 69.40 1smy s THR 793 CO 0.79 -1.18 0.64 -1.58 -0.54 0.00 0.00 174.62 172.76 1smy s GLN 794 N 0.06 1.20 0.01 3.99 -0.44 -1.25 -3.95 119.66 119.27 1smy s GLN 794 Ca 0.26 -0.34 0.09 0.00 -2.50 0.00 0.00 55.36 52.86 1smy s GLN 794 Cb -0.09 0.55 -0.02 0.00 -1.64 0.00 0.00 33.01 31.81 1smy s GLN 794 CO -0.08 -0.50 -0.26 0.08 0.50 0.00 0.00 175.29 175.03 1smy s VAL 795 N -3.28 2.12 0.35 1.34 1.01 -1.25 -4.25 120.40 116.45 1smy s VAL 795 Ca -0.00 -1.24 0.07 0.00 0.00 0.00 0.00 61.98 60.81 1smy s VAL 795 Cb -0.01 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1smy s VAL 795 CO -0.09 0.47 0.41 -0.13 0.00 0.00 0.00 175.10 175.77 1smy s ARG 796 N -0.92 2.89 -0.02 2.72 0.52 -1.08 -5.04 118.95 118.01 1smy s ARG 796 Ca 0.11 -1.19 -0.08 0.00 -0.52 0.00 0.00 55.73 54.05 1smy s ARG 796 Cb -0.10 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 32.73 1smy s ARG 796 CO 0.01 0.00 0.18 0.15 0.02 0.00 0.00 175.30 175.65 1smy s LYS 797 N -4.13 0.46 0.12 3.54 3.01 -1.26 -4.81 119.74 116.66 1smy s LYS 797 Ca 0.45 -0.22 0.03 0.00 -1.01 0.00 0.00 55.97 55.22 1smy s LYS 797 Cb -0.08 0.20 -0.01 0.00 -1.01 0.00 0.00 37.83 36.93 1smy s LYS 797 CO 0.29 -0.11 0.09 -1.91 0.51 0.00 0.00 175.35 174.23 1smy n GLU 798 N 1.76 0.24 -1.06 1.68 2.13 0.17 -5.01 120.64 120.54 1smy n GLU 798 Ca -0.20 -1.20 -0.42 0.00 0.66 0.00 0.00 57.16 56.00 1smy n GLU 798 Cb 0.56 0.93 -0.06 0.00 0.27 0.00 0.00 31.44 33.15 1smy n GLU 798 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1smy n LYS 799 N -0.24 0.00 -3.35 5.31 4.81 -1.26 -4.65 118.16 118.78 1smy n LYS 799 Ca 0.02 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.18 1smy n LYS 799 Cb 0.22 -1.04 -0.07 0.00 0.02 0.00 0.00 35.03 34.16 1smy n LYS 799 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1smy n LYS 800 N 1.30 2.69 0.00 1.64 0.00 -1.26 -4.32 118.16 118.21 1smy n LYS 800 Ca 0.15 -4.70 0.00 0.00 0.00 0.00 0.00 58.31 53.76 1smy n LYS 800 Cb 0.04 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 32.80 1smy n LYS 800 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1smy n GLY 801 N 0.73 -1.72 3.67 3.14 0.00 -1.26 -4.82 105.19 104.94 1smy n GLY 801 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 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 0.50 -2.35 4.61 0.00 -1.26 -4.86 120.51 114.16 1smy n ALA 802 Ca 0.00 -0.07 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 1smy n ALA 802 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 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 -1.48 0.92 -0.63 0.00 0.00 -1.26 -4.91 107.32 99.95 1smy s GLY 803 Ca 0.78 -2.37 -0.20 0.00 0.00 0.00 0.00 44.72 42.94 1smy s GLY 803 CO 0.45 3.08 0.79 -2.27 0.00 0.00 0.00 173.10 175.15 1smy s LEU 804 N 7.25 5.15 -0.37 0.66 2.96 -1.26 -4.83 118.68 128.24 1smy s LEU 804 Ca 0.59 -1.38 0.11 0.00 -0.22 0.00 0.00 54.13 53.22 1smy s LEU 804 Cb 0.00 -2.33 0.44 0.00 0.50 0.00 0.00 46.19 44.80 1smy s LEU 804 CO 0.05 -1.19 1.07 -0.62 -1.32 0.00 0.00 176.35 174.34 1smy n GLU 805 N 6.64 2.60 -0.28 1.98 -0.58 -1.26 -3.57 120.64 126.18 1smy n GLU 805 Ca -0.06 -4.00 0.25 0.00 -0.42 0.00 0.00 57.16 52.93 1smy n GLU 805 Cb 0.44 -1.89 0.43 0.00 -0.57 0.00 0.00 31.44 29.85 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 -0.38 0.57 0.00 -0.32 7.35 -1.26 -3.73 117.46 119.69 1smy n PHE 806 Ca 0.28 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.54 1smy n PHE 806 Cb 0.75 -0.98 0.00 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 -2.54 0.01 0.00 3.13 0.00 -1.26 -2.39 120.51 117.46 1smy n ALA 807 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1smy n ALA 807 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.42 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 -0.89 0.05 -2.73 0.00 -1.04 -1.24 -5.00 114.28 103.42 1smy n THR 808 Ca 0.00 0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.70 1smy n THR 808 Cb 0.03 -1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 67.27 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 4.13 0.26 -2.82 0.02 -1.01 -4.95 135.00 128.62 1smy s PRO 809 Ca 0.00 1.15 0.20 0.00 0.02 0.00 0.00 61.00 62.37 1smy s PRO 809 Cb 0.00 -2.16 0.08 0.00 0.02 0.00 0.00 34.50 32.44 1smy s PRO 809 CO 0.00 -0.13 1.24 0.93 -0.33 0.00 0.00 177.00 178.71 1smy h GLU 810 N 1.76 0.00 0.00 5.54 5.08 -1.99 -2.82 114.58 122.15 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 0.61 0.16 -0.25 0.93 -1.00 0.00 0.00 179.01 179.46 1smy h GLU 811 N 0.00 0.00 0.00 2.33 5.08 -1.96 -2.41 114.58 117.62 1smy h GLU 811 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1smy h GLU 811 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1smy h GLU 811 CO 0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 179.01 177.96 1smy h ALA 812 N 2.43 0.96 0.01 3.43 0.00 -1.83 -2.23 119.26 122.03 1smy h ALA 812 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1smy h ALA 812 Cb 0.79 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1smy h ALA 812 CO 0.00 0.03 -0.82 1.37 0.00 0.00 0.00 179.25 179.83 1smy h LEU 813 N 0.00 0.02 0.55 0.00 8.10 -1.38 -3.24 115.31 119.36 1smy h LEU 813 Ca -0.00 -0.70 -0.03 0.00 0.11 0.00 0.00 57.88 57.26 1smy h LEU 813 Cb 1.02 -0.01 0.01 0.00 -0.44 0.00 0.00 40.66 41.24 1smy h LEU 813 CO 0.00 1.33 -0.26 0.00 -4.11 0.00 0.00 178.44 175.40 1smy h ALA 814 N -0.29 -1.20 0.27 0.17 0.00 -1.52 -1.68 119.26 115.01 1smy h ALA 814 Ca -0.22 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1smy h ALA 814 Cb 1.22 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1smy h ALA 814 CO -0.12 -1.14 -0.34 0.00 0.00 0.00 0.00 179.25 177.64 1smy h ALA 815 N -1.66 -0.69 0.00 0.00 0.00 -1.63 -1.64 119.26 113.64 1smy h ALA 815 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1smy h ALA 815 Cb 0.56 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1smy h ALA 815 CO 0.12 -0.93 0.00 0.72 0.00 0.00 0.00 179.25 179.16 1smy n HIS 816 N -5.45 0.26 0.03 0.00 8.25 -1.22 -0.72 115.22 116.37 1smy n HIS 816 Ca -0.09 0.12 -0.07 0.00 -0.26 0.00 0.00 57.72 57.42 1smy n HIS 816 Cb 0.35 -0.69 -0.12 0.00 1.12 0.00 0.00 29.99 30.66 1smy n HIS 816 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1smy h GLU 817 N 0.00 0.00 0.21 -0.41 5.08 -0.38 -3.16 114.58 115.93 1smy h GLU 817 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1smy h GLU 817 Cb 0.17 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.46 1smy h GLU 817 CO 0.00 0.70 -1.26 0.00 -1.00 0.00 0.00 179.01 177.46 1smy h ARG 818 N 0.00 0.47 -0.05 2.33 3.08 -0.54 -3.04 114.38 116.63 1smy h ARG 818 Ca -0.14 -0.80 0.02 0.00 0.07 0.00 0.00 59.98 59.13 1smy h ARG 818 Cb 1.84 0.29 -0.00 0.00 0.08 0.00 0.00 29.97 32.18 1smy h ARG 818 CO 0.10 1.38 0.04 0.78 -1.07 0.00 0.00 179.97 181.20 1smy h GLY 819 N -0.01 0.00 0.62 0.04 0.00 -1.04 0.73 103.07 103.41 1smy h GLY 819 Ca -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1smy h GLY 819 CO 0.24 0.00 -0.13 -2.09 0.00 0.00 0.00 176.54 174.55 1smy h GLU 820 N 0.00 0.23 0.00 4.80 4.22 -1.58 -1.99 114.58 120.25 1smy h GLU 820 Ca 0.03 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 1smy h GLU 820 Cb 0.11 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1smy h GLU 820 CO -0.00 0.71 -0.00 0.28 -2.18 0.00 0.00 179.01 177.82 1smy h VAL 821 N -0.24 0.02 0.00 0.32 2.07 -0.89 -3.40 116.25 114.14 1smy h VAL 821 Ca 0.01 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1smy h VAL 821 Cb 0.70 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1smy h VAL 821 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1smy n ALA 822 N -2.09 0.00 -0.96 1.67 0.00 0.23 -5.00 120.51 114.36 1smy n ALA 822 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1smy n ALA 822 Cb 0.15 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 2.11 0.00 0.00 4.77 -1.18 -4.93 117.00 117.78 1smy n LEU 823 Ca 0.00 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 1smy n LEU 823 Cb 0.00 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1smy n LEU 823 CO 0.00 0.64 0.00 0.59 -1.33 0.00 0.00 177.39 177.29 1smy n ASN 824 N -1.17 0.00 -4.67 -1.43 3.02 -0.87 -4.96 115.26 105.17 1smy n ASN 824 Ca 0.12 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.22 1smy n ASN 824 Cb 0.58 0.00 -0.04 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 1.23 -1.99 5.41 0.00 -1.19 -4.81 120.51 116.16 1smy n ALA 825 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1smy n ALA 825 Cb 0.00 -2.60 0.18 0.00 0.00 0.00 0.00 19.45 17.03 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 7.16 -1.03 0.24 0.00 -0.02 -1.26 -3.74 135.00 136.35 1smy n PRO 826 Ca 0.22 -2.05 0.13 0.00 -2.02 0.00 0.00 63.50 59.78 1smy n PRO 826 Cb 0.35 -1.18 0.42 0.00 -0.02 0.00 0.00 33.50 33.07 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 -1.53 0.20 -2.67 4.25 2.04 -1.94 -3.37 117.51 114.49 1smy h ILE 827 Ca -0.39 -0.95 -0.60 0.00 1.00 0.00 0.00 64.86 63.92 1smy h ILE 827 Cb 1.12 1.80 -0.39 0.00 -0.74 0.00 0.00 36.82 38.61 1smy h ILE 827 CO 0.29 0.09 -0.83 -1.59 0.00 0.00 0.00 178.15 176.12 1smy s LYS 828 N -3.46 1.25 0.26 2.37 0.00 -1.26 -2.14 119.74 116.76 1smy s LYS 828 Ca 0.03 -2.23 0.10 0.00 0.00 0.00 0.00 55.97 53.87 1smy s LYS 828 Cb 0.08 -2.00 -0.04 0.00 0.00 0.00 0.00 37.83 35.86 1smy s LYS 828 CO 0.62 -1.29 -0.05 0.08 0.00 0.00 0.00 175.35 174.71 1smy s VAL 829 N -0.05 3.24 -0.77 1.79 1.01 -1.26 0.42 120.40 124.78 1smy s VAL 829 Ca 0.26 -1.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.01 1smy s VAL 829 Cb -0.08 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1smy s VAL 829 CO -0.12 -0.35 1.74 0.00 0.00 0.00 0.00 175.10 176.38 1smy s ALA 830 N -2.28 2.17 -0.42 5.51 0.00 -1.26 -4.42 121.76 121.06 1smy s ALA 830 Ca 0.30 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 51.10 1smy s ALA 830 Cb -0.06 -4.40 0.23 0.00 0.00 0.00 0.00 23.12 18.88 1smy s ALA 830 CO 0.18 -4.05 0.57 0.41 0.00 0.00 0.00 175.76 172.87 1smy n GLY 831 N 6.15 1.96 0.00 0.00 0.00 -1.23 -4.55 105.19 107.51 1smy n GLY 831 Ca 0.25 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 1.84 0.00 0.09 1.61 3.00 -1.26 -0.47 116.66 121.46 1smy n ARG 832 Ca 0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.94 1smy n ARG 832 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.93 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 -0.51 -2.56 -0.14 5.08 -1.94 -3.44 114.58 111.07 1smy h GLU 833 Ca 0.00 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1smy h GLU 833 Cb 0.00 0.12 -0.26 0.00 0.50 0.00 0.00 28.75 29.11 1smy h GLU 833 CO 0.00 -0.34 -0.25 0.95 -1.00 0.00 0.00 179.01 178.36 1smy s THR 834 N -4.86 -0.02 0.60 1.13 -4.23 0.37 -5.06 115.64 103.58 1smy s THR 834 Ca -0.11 0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 60.34 1smy s THR 834 Cb 0.04 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 73.18 1smy s THR 834 CO 0.41 0.03 1.04 -0.55 -0.54 0.00 0.00 174.62 175.01 1smy s SER 835 N 1.44 5.89 0.55 3.99 0.15 -1.23 -4.74 113.70 119.75 1smy s SER 835 Ca -0.10 1.70 0.36 0.00 0.70 0.00 0.00 55.95 58.61 1smy s SER 835 Cb -0.08 -2.52 1.52 0.00 -1.71 0.00 0.00 66.02 63.23 1smy s SER 835 CO -0.14 -1.10 1.78 1.62 1.20 0.00 0.00 173.24 176.61 1smy h VAL 836 N 0.22 0.37 -0.81 4.45 3.04 -1.80 0.31 116.25 122.02 1smy h VAL 836 Ca -0.46 0.00 0.16 0.00 -1.01 0.00 0.00 66.70 65.39 1smy h VAL 836 Cb 1.21 0.39 -0.06 0.00 -2.01 0.00 0.00 31.29 30.83 1smy h VAL 836 CO 0.58 0.00 0.53 1.23 -1.01 0.00 0.00 177.57 178.91 1smy h GLY 837 N 0.00 0.85 1.94 3.17 0.00 -1.63 0.18 103.07 107.58 1smy h GLY 837 Ca 0.53 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 1smy h GLY 837 CO -0.01 0.06 -0.43 3.21 0.00 0.00 0.00 176.54 179.37 1smy h ARG 838 N 0.48 0.00 -0.06 4.80 3.08 -0.47 -3.31 114.38 118.90 1smy h ARG 838 Ca 0.40 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.36 1smy h ARG 838 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1smy h ARG 838 CO -0.15 0.37 -0.33 -0.07 -1.07 0.00 0.00 179.97 178.73 1smy h LEU 839 N 0.00 0.39 -1.52 3.04 3.38 -0.67 -3.32 115.31 116.62 1smy h LEU 839 Ca -0.01 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 1smy h LEU 839 Cb 1.30 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1smy h LEU 839 CO 0.05 0.99 -0.05 0.50 0.09 0.00 0.00 178.44 180.02 1smy h LYS 840 N -0.18 0.25 -4.97 1.13 3.64 -1.33 -3.42 116.57 111.69 1smy h LYS 840 Ca -0.02 -0.04 -0.59 0.00 -1.27 0.00 0.00 60.65 58.72 1smy h LYS 840 Cb 0.99 -0.04 -0.33 0.00 -0.41 0.00 0.00 32.23 32.43 1smy h LYS 840 CO 0.07 0.32 -0.84 0.71 -2.27 0.00 0.00 179.45 177.43 1smy s TYR 841 N -4.89 1.95 -0.23 1.91 1.51 -1.24 -5.09 117.35 111.26 1smy s TYR 841 Ca -0.06 -0.74 -0.03 0.00 -1.01 0.00 0.00 57.07 55.23 1smy s TYR 841 Cb 0.16 -1.35 0.08 0.00 -0.11 0.00 0.00 41.96 40.74 1smy s TYR 841 CO 0.72 -0.32 0.07 0.08 -1.11 0.00 0.00 175.55 174.99 1smy s VAL 842 N 0.45 0.46 -0.22 0.71 1.01 -1.26 -3.85 120.40 117.70 1smy s VAL 842 Ca -0.15 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1smy s VAL 842 Cb -0.16 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1smy s VAL 842 CO 0.06 -0.41 0.29 -0.36 0.00 0.00 0.00 175.10 174.69 1smy s PHE 843 N 1.86 3.35 0.00 5.22 0.40 -0.99 -5.03 117.98 122.80 1smy s PHE 843 Ca 0.03 0.45 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 1smy s PHE 843 Cb -0.17 -2.41 0.00 0.00 0.51 0.00 0.00 43.02 40.95 1smy s PHE 843 CO -0.17 0.03 0.43 0.00 0.70 0.00 0.00 175.22 176.22 1smy n ALA 844 N 4.36 -0.13 -2.12 5.36 0.00 -1.26 -2.00 120.51 124.72 1smy n ALA 844 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 1smy n ALA 844 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.95 5.82 0.04 0.00 2.47 -1.26 -3.25 114.94 116.81 1smy s ASN 845 Ca 0.00 0.83 -0.17 0.00 0.42 0.00 0.00 52.86 53.93 1smy s ASN 845 Cb 0.00 -1.91 -0.09 0.00 -1.45 0.00 0.00 41.25 37.80 1smy s ASN 845 CO 0.00 -0.92 1.27 -0.65 -3.72 0.00 0.00 177.10 173.08 1smy h PRO 846 N -0.08 -0.51 -0.95 0.43 0.11 -1.90 -2.92 132.00 126.18 1smy h PRO 846 Ca -0.46 0.03 0.34 0.00 0.11 0.00 0.00 66.00 66.02 1smy h PRO 846 Cb 1.24 0.12 -0.17 0.00 0.11 0.00 0.00 31.00 32.29 1smy h PRO 846 CO 0.61 -0.34 0.28 -0.40 -0.21 0.00 0.00 178.00 177.94 1smy n ASP 847 N -3.80 0.12 -0.29 -2.05 5.68 -1.26 0.21 116.55 115.17 1smy n ASP 847 Ca -0.06 1.60 0.10 0.00 -0.50 0.00 0.00 54.79 55.92 1smy n ASP 847 Cb 0.23 -0.69 0.23 0.00 -1.14 0.00 0.00 41.12 39.75 1smy n ASP 847 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1smy h GLU 848 N 0.00 0.13 0.08 0.11 4.39 -1.91 -1.19 114.58 116.18 1smy h GLU 848 Ca 0.70 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.42 1smy h GLU 848 Cb 1.69 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 30.28 1smy h GLU 848 CO -0.81 0.08 -0.30 0.00 -1.16 0.00 0.00 179.01 176.83 1smy h ALA 849 N 1.78 -0.48 -0.86 3.43 0.00 -0.30 -3.01 119.26 119.81 1smy h ALA 849 Ca 0.50 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 1smy h ALA 849 Cb 0.95 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1smy h ALA 849 CO -0.70 -0.83 0.43 -0.07 0.00 0.00 0.00 179.25 178.07 1smy h LEU 850 N -0.50 1.12 -0.29 0.00 4.07 -1.32 -3.05 115.31 115.33 1smy h LEU 850 Ca 0.04 -0.13 0.06 0.00 0.08 0.00 0.00 57.88 57.93 1smy h LEU 850 Cb 0.54 -0.29 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 1smy h LEU 850 CO -0.20 0.93 -0.06 -0.07 -1.08 0.00 0.00 178.44 177.96 1smy h LEU 851 N 1.22 -0.24 -0.60 1.67 3.38 -1.31 0.95 115.31 120.39 1smy h LEU 851 Ca 0.30 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.45 1smy h LEU 851 Cb 0.10 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 1smy h LEU 851 CO -0.04 -0.08 0.20 0.00 0.09 0.00 0.00 178.44 178.61 1smy h ALA 852 N 1.28 0.76 -0.22 1.53 0.00 -1.49 0.18 119.26 121.30 1smy h ALA 852 Ca 0.14 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1smy h ALA 852 Cb 0.21 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1smy h ALA 852 CO -0.28 -0.23 -0.15 0.28 0.00 0.00 0.00 179.25 178.87 1smy h VAL 853 N 0.36 0.57 -0.91 0.00 2.07 -1.15 0.19 116.25 117.38 1smy h VAL 853 Ca 0.31 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.92 1smy h VAL 853 Cb 0.41 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1smy h VAL 853 CO -0.33 0.00 0.56 0.00 0.02 0.00 0.00 177.57 177.81 1smy h ALA 854 N 1.00 1.30 0.00 1.67 0.00 0.61 0.99 119.26 124.84 1smy h ALA 854 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1smy h ALA 854 Cb 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1smy h ALA 854 CO -0.31 0.23 0.00 0.72 0.00 0.00 0.00 179.25 179.89 1smy n HIS 855 N -4.64 0.00 -1.07 0.00 8.25 0.47 -4.85 115.22 113.38 1smy n HIS 855 Ca 0.15 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.59 1smy n HIS 855 Cb 0.26 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 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 0.56 0.57 0.10 -1.41 0.00 0.34 -4.92 105.19 100.43 1smy n GLY 856 Ca 0.05 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 0.98 -3.46 -0.61 1.08 -0.87 -3.47 117.51 111.16 1smy h ILE 857 Ca -0.05 -2.75 -0.38 0.00 -0.39 0.00 0.00 64.86 61.30 1smy h ILE 857 Cb 0.18 2.56 -0.34 0.00 -3.07 0.00 0.00 36.82 36.15 1smy h ILE 857 CO 0.07 0.69 -0.76 -0.69 -0.69 0.00 0.00 178.15 176.77 1smy s VAL 858 N -2.61 0.33 0.60 1.67 1.01 -1.23 -4.92 120.40 115.25 1smy s VAL 858 Ca -0.08 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1smy s VAL 858 Cb 0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1smy s VAL 858 CO 0.82 0.18 1.05 -1.81 0.00 0.00 0.00 175.10 175.34 1smy s ASP 859 N 1.05 5.84 0.46 3.32 1.11 -1.26 -4.07 116.67 123.12 1smy s ASP 859 Ca -0.09 1.73 0.22 0.00 0.18 0.00 0.00 52.55 54.58 1smy s ASP 859 Cb -0.14 -2.52 1.14 0.00 1.07 0.00 0.00 42.92 42.47 1smy s ASP 859 CO -0.01 -1.13 1.96 -0.07 1.18 0.00 0.00 175.17 177.10 1smy h LEU 860 N 0.25 0.00 -1.30 1.23 3.38 -1.95 -2.94 115.31 113.98 1smy h LEU 860 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 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 0.21 0.00 0.00 0.09 0.00 0.00 178.44 179.32 1smy n GLN 861 N -3.76 1.89 -2.10 1.13 3.00 -1.26 0.33 117.38 116.61 1smy n GLN 861 Ca -0.02 -1.30 -0.31 0.00 -0.01 0.00 0.00 57.00 55.36 1smy n GLN 861 Cb 0.31 -1.47 -0.00 0.00 0.00 0.00 0.00 30.24 29.08 1smy n GLN 861 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1smy s ASP 862 N -1.94 6.34 -0.33 1.08 -0.00 -1.11 -2.64 116.67 118.07 1smy s ASP 862 Ca 0.35 1.41 -0.24 0.00 -0.00 0.00 0.00 52.55 54.07 1smy s ASP 862 Cb 0.20 -2.46 0.01 0.00 -0.00 0.00 0.00 42.92 40.67 1smy s ASP 862 CO 0.32 -0.76 0.81 0.68 -0.00 0.00 0.00 175.17 176.22 1smy s VAL 863 N -2.97 4.75 0.29 -1.27 -7.23 -1.26 -3.78 120.40 108.92 1smy s VAL 863 Ca 0.55 1.10 0.03 0.00 -1.81 0.00 0.00 61.98 61.85 1smy s VAL 863 Cb -0.11 -4.19 -0.04 0.00 0.56 0.00 0.00 36.38 32.61 1smy s VAL 863 CO 0.47 -0.34 0.17 -0.69 -0.31 0.00 0.00 175.10 174.40 1smy s VAL 864 N 3.07 0.21 -0.06 1.32 1.01 -1.24 -3.80 120.40 120.91 1smy s VAL 864 Ca 0.33 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.34 1smy s VAL 864 Cb -0.14 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1smy s VAL 864 CO 0.15 0.00 -0.15 0.42 0.00 0.00 0.00 175.10 175.52 1smy s THR 865 N -3.70 3.01 0.05 3.92 -4.23 -1.25 -2.05 115.64 111.39 1smy s THR 865 Ca 0.37 -0.74 0.01 0.00 -1.18 0.00 0.00 61.69 60.16 1smy s THR 865 Cb 0.05 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 1smy s THR 865 CO 0.18 0.58 -0.06 -0.69 -0.54 0.00 0.00 174.62 174.10 1smy s VAL 866 N -0.61 0.43 -0.56 2.29 1.01 -0.10 -2.34 120.40 120.52 1smy s VAL 866 Ca 0.09 -1.38 -0.09 0.00 0.00 0.00 0.00 61.98 60.60 1smy s VAL 866 Cb -0.11 -0.96 0.15 0.00 0.00 0.00 0.00 36.38 35.46 1smy s VAL 866 CO 0.01 -0.64 0.44 -0.60 0.00 0.00 0.00 175.10 174.31 1smy s ARG 867 N -2.52 2.68 0.00 2.72 3.52 -0.85 -1.96 118.95 122.55 1smy s ARG 867 Ca -0.03 -2.05 0.00 0.00 -0.13 0.00 0.00 55.73 53.52 1smy s ARG 867 Cb -0.03 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.39 1smy s ARG 867 CO -0.03 -1.21 0.00 0.98 -0.81 0.00 0.00 175.30 174.23 1smy n TYR 868 N 4.45 0.00 -1.54 5.12 -0.00 -0.36 -4.50 117.16 120.32 1smy n TYR 868 Ca -0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.55 1smy n TYR 868 Cb 0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.68 1smy n TYR 868 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1smy n MET 869 N 0.00 0.73 -1.73 2.98 2.81 -1.26 -2.66 117.12 118.00 1smy n MET 869 Ca 0.00 -0.11 -0.20 0.00 -1.81 0.00 0.00 57.70 55.58 1smy n MET 869 Cb 0.00 -3.01 -0.07 0.00 -0.71 0.00 0.00 33.22 29.43 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 6.19 1.44 2.94 3.03 0.00 -1.26 -4.98 105.19 112.55 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 0.54 0.00 0.00 0.00 173.32 173.86 1smy s LYS 871 N -3.93 0.08 -1.12 1.61 1.02 -1.09 -5.06 119.74 111.26 1smy s LYS 871 Ca 0.00 0.10 -0.05 0.00 0.02 0.00 0.00 55.97 56.04 1smy s LYS 871 Cb 0.00 0.04 0.28 0.00 -0.52 0.00 0.00 37.83 37.63 1smy s LYS 871 CO 0.00 -0.01 1.61 0.54 -0.92 0.00 0.00 175.35 176.57 1smy n ARG 872 N 3.05 4.44 -2.56 1.68 1.74 -1.26 -1.23 116.66 122.52 1smy n ARG 872 Ca -0.12 -4.36 -0.40 0.00 -0.77 0.00 0.00 57.85 52.20 1smy n ARG 872 Cb 0.60 -2.58 -0.05 0.00 -1.02 0.00 0.00 32.46 29.41 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 -2.48 4.56 -0.89 0.55 1.43 -0.83 -4.86 118.68 116.17 1smy s LEU 873 Ca 0.34 2.16 -0.02 0.00 -1.03 0.00 0.00 54.13 55.58 1smy s LEU 873 Cb 0.07 -3.65 0.22 0.00 0.03 0.00 0.00 46.19 42.87 1smy s LEU 873 CO 0.06 -0.07 0.79 -1.61 0.23 0.00 0.00 176.35 175.75 1smy s GLU 874 N -1.42 3.31 0.22 1.70 2.02 -1.26 -0.92 118.70 122.34 1smy s GLU 874 Ca 0.44 -3.23 0.06 0.00 0.02 0.00 0.00 54.97 52.26 1smy s GLU 874 Cb -0.30 -3.99 -0.05 0.00 0.10 0.00 0.00 34.13 29.89 1smy s GLU 874 CO 0.38 -1.26 -0.09 0.99 0.02 0.00 0.00 175.26 175.29 1smy s THR 875 N -1.27 1.51 0.75 3.63 2.01 -0.87 -4.84 115.64 116.56 1smy s THR 875 Ca 0.27 -2.14 -0.12 0.00 0.31 0.00 0.00 61.69 60.02 1smy s THR 875 Cb -0.08 -2.15 0.04 0.00 0.01 0.00 0.00 72.50 70.32 1smy s THR 875 CO -0.12 -0.51 1.10 -0.55 -0.69 0.00 0.00 174.62 173.85 1smy s SER 876 N -3.32 4.64 0.09 3.53 0.15 -1.26 -3.68 113.70 113.85 1smy s SER 876 Ca 0.24 1.86 -0.30 0.00 0.70 0.00 0.00 55.95 58.46 1smy s SER 876 Cb 0.02 -2.53 -0.15 0.00 -1.71 0.00 0.00 66.02 61.65 1smy s SER 876 CO 0.07 -1.95 1.64 -0.65 1.20 0.00 0.00 173.24 173.56 1smy h PRO 877 N -0.87 -0.62 -0.88 5.44 0.11 -1.60 -2.14 132.00 131.45 1smy h PRO 877 Ca -0.44 0.04 0.20 0.00 0.11 0.00 0.00 66.00 65.91 1smy h PRO 877 Cb 1.23 0.14 -0.16 0.00 0.11 0.00 0.00 31.00 32.32 1smy h PRO 877 CO 0.52 -0.41 -0.12 0.78 -0.21 0.00 0.00 178.00 178.56 1smy h GLY 878 N -0.64 0.82 1.00 -0.55 0.00 -0.26 0.36 103.07 103.80 1smy h GLY 878 Ca -0.04 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1smy h GLY 878 CO 0.01 -0.37 0.12 3.21 0.00 0.00 0.00 176.54 179.52 1smy h ARG 879 N 0.02 0.24 -0.95 4.80 2.47 -1.65 -1.10 114.38 118.22 1smy h ARG 879 Ca 0.46 -0.02 0.12 0.00 -1.26 0.00 0.00 59.98 59.28 1smy h ARG 879 Cb 0.80 -0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.98 1smy h ARG 879 CO -0.86 0.16 0.58 0.97 0.56 0.00 0.00 179.97 181.38 1smy h ILE 880 N 0.24 0.90 -0.01 2.04 -0.00 0.30 -1.66 117.51 119.33 1smy h ILE 880 Ca 0.07 -0.32 -0.00 0.00 -0.00 0.00 0.00 64.86 64.61 1smy h ILE 880 Cb -0.02 -0.10 -0.00 0.00 -0.00 0.00 0.00 36.82 36.70 1smy h ILE 880 CO -0.01 0.17 0.00 0.25 -0.00 0.00 0.00 178.15 178.56 1smy h LEU 881 N 0.92 0.01 -0.60 2.19 5.85 -0.57 -2.96 115.31 120.15 1smy h LEU 881 Ca 0.47 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 59.07 1smy h LEU 881 Cb 0.47 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.39 1smy h LEU 881 CO -0.27 0.26 -0.04 0.15 -0.34 0.00 0.00 178.44 178.20 1smy h PHE 882 N -0.23 -0.11 -0.94 1.25 3.57 -0.46 0.29 116.94 120.30 1smy h PHE 882 Ca 0.00 0.05 0.20 0.00 3.53 0.00 0.00 57.97 61.75 1smy h PHE 882 Cb 0.25 0.14 -0.11 0.00 2.79 0.00 0.00 35.95 39.02 1smy h PHE 882 CO 0.01 -0.19 0.52 0.00 -2.23 0.00 0.00 178.31 176.42 1smy h ALA 883 N 1.56 1.55 0.02 2.41 0.00 -1.18 -1.28 119.26 122.34 1smy h ALA 883 Ca 0.31 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1smy h ALA 883 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1smy h ALA 883 CO -0.54 -0.16 -0.01 -0.09 0.00 0.00 0.00 179.25 178.44 1smy h ARG 884 N 0.62 -0.02 -0.93 0.00 1.12 -0.34 0.21 114.38 115.04 1smy h ARG 884 Ca 0.56 0.00 0.27 0.00 -1.11 0.00 0.00 59.98 59.70 1smy h ARG 884 Cb 0.94 0.01 -0.15 0.00 -0.01 0.00 0.00 29.97 30.75 1smy h ARG 884 CO -0.43 0.40 0.27 0.82 -3.11 0.00 0.00 179.97 177.93 1smy h ILE 885 N -0.46 0.23 0.08 1.20 2.04 -0.02 1.17 117.51 121.75 1smy h ILE 885 Ca -0.00 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.66 1smy h ILE 885 Cb 0.44 0.05 0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1smy h ILE 885 CO 0.00 0.03 -0.61 0.58 0.00 0.00 0.00 178.15 178.16 1smy h VAL 886 N 0.17 1.54 0.00 1.67 2.07 -1.42 -1.03 116.25 119.25 1smy h VAL 886 Ca 0.62 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1smy h VAL 886 Cb 1.32 3.08 0.00 0.00 -1.52 0.00 0.00 31.29 34.17 1smy h VAL 886 CO -0.71 0.66 0.09 0.00 0.02 0.00 0.00 177.57 177.64 1smy h ALA 887 N 0.13 1.08 0.02 1.67 0.00 0.26 -1.92 119.26 120.50 1smy h ALA 887 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.43 1smy h ALA 887 Cb 1.43 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1smy h ALA 887 CO 0.12 -0.08 -2.37 -1.91 0.00 0.00 0.00 179.25 175.00 1smy n GLU 888 N -2.75 0.67 0.10 0.00 2.13 0.37 -3.90 120.64 117.26 1smy n GLU 888 Ca -0.02 0.14 0.13 0.00 0.66 0.00 0.00 57.16 58.07 1smy n GLU 888 Cb 0.14 -1.56 0.62 0.00 0.27 0.00 0.00 31.44 30.92 1smy n GLU 888 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1smy h ALA 889 N 0.22 2.16 -3.33 4.31 0.00 -0.42 -3.34 119.26 118.87 1smy h ALA 889 Ca -0.54 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 53.81 1smy h ALA 889 Cb 1.99 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 19.37 1smy h ALA 889 CO -0.04 -0.23 -0.77 0.08 0.00 0.00 0.00 179.25 178.29 1smy s VAL 890 N -5.13 0.77 0.15 0.00 1.01 -0.92 -4.55 120.40 111.73 1smy s VAL 890 Ca -0.06 -0.80 0.19 0.00 0.00 0.00 0.00 61.98 61.31 1smy s VAL 890 Cb 0.18 -1.27 0.19 0.00 0.00 0.00 0.00 36.38 35.48 1smy s VAL 890 CO 0.71 -0.24 1.50 -0.08 0.00 0.00 0.00 175.10 176.99 1smy h GLU 891 N 8.17 0.00 -4.59 2.72 4.57 -1.69 -3.35 114.58 120.41 1smy h GLU 891 Ca -0.16 0.00 -0.63 0.00 -1.18 0.00 0.00 59.36 57.39 1smy h GLU 891 Cb 1.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1smy h GLU 891 CO 0.37 0.00 2.38 -0.25 -1.18 0.00 0.00 179.01 180.32 1smy n ASP 892 N -2.29 3.18 -0.23 1.04 9.92 -1.26 -4.78 116.55 122.13 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 0.29 -1.40 -0.03 0.00 -0.64 0.00 0.00 41.12 39.34 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 7.56 -0.19 -0.94 -1.24 4.81 -1.75 -0.60 114.58 122.23 1smy h GLU 893 Ca 0.44 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.72 1smy h GLU 893 Cb 0.71 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 1smy h GLU 893 CO 1.81 -0.13 0.61 0.87 -0.73 0.00 0.00 179.01 181.44 1smy h LYS 894 N -0.20 1.14 0.00 1.92 1.57 -1.95 0.33 116.57 119.38 1smy h LYS 894 Ca 0.19 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1smy h LYS 894 Cb 0.56 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1smy h LYS 894 CO -0.72 0.75 0.00 0.28 -0.57 0.00 0.00 179.45 179.19 1smy h VAL 895 N 1.17 0.00 0.00 0.50 2.07 -1.56 -1.74 116.25 116.70 1smy h VAL 895 Ca 0.38 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.60 1smy h VAL 895 Cb 0.03 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1smy h VAL 895 CO -0.13 0.00 -0.77 0.00 0.02 0.00 0.00 177.57 176.69 1smy h ALA 896 N 2.10 0.67 0.00 1.67 0.00 0.94 -3.32 119.26 121.32 1smy h ALA 896 Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1smy h ALA 896 Cb 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1smy h ALA 896 CO 0.00 0.67 -1.30 -1.49 0.00 0.00 0.00 179.25 177.13 1smy h TRP 897 N 0.00 0.00 -0.21 0.00 4.06 -0.90 -3.30 115.95 115.61 1smy h TRP 897 Ca -0.05 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.81 1smy h TRP 897 Cb 1.42 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.56 1smy h TRP 897 CO 0.00 0.56 -0.27 0.93 -3.56 0.00 0.00 178.44 176.10 1smy h GLU 898 N 0.00 0.39 -0.15 0.49 5.08 -1.59 -3.20 114.58 115.59 1smy h GLU 898 Ca -0.14 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1smy h GLU 898 Cb 1.55 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1smy h GLU 898 CO 0.05 0.63 0.00 1.47 -1.00 0.00 0.00 179.01 180.16 1smy n LEU 899 N -4.12 2.85 -4.60 1.33 -0.00 -1.25 -4.96 117.00 106.24 1smy n LEU 899 Ca -0.01 -1.22 -0.32 0.00 -0.00 0.00 0.00 56.01 54.47 1smy n LEU 899 Cb 0.40 -0.09 -0.10 0.00 -0.00 0.00 0.00 43.42 43.63 1smy n LEU 899 CO 0.41 0.55 -0.38 0.27 -0.00 0.00 0.00 177.39 178.24 1smy s ILE 900 N -1.49 3.65 -0.69 1.47 -4.36 -1.21 -4.73 121.20 113.83 1smy s ILE 900 Ca 0.27 -0.84 -0.03 0.00 -0.26 0.00 0.00 60.65 59.79 1smy s ILE 900 Cb 0.17 -2.61 0.18 0.00 1.25 0.00 0.00 42.46 41.45 1smy s ILE 900 CO 0.25 0.34 0.53 0.00 0.24 0.00 0.00 174.94 176.30 1smy s GLN 901 N -1.57 2.75 -0.03 0.37 -2.07 -1.26 -4.91 119.66 112.94 1smy s GLN 901 Ca 0.18 -2.74 0.01 0.00 -1.82 0.00 0.00 55.36 51.00 1smy s GLN 901 Cb -0.11 -3.78 0.09 0.00 -1.09 0.00 0.00 33.01 28.12 1smy s GLN 901 CO 0.09 -1.20 0.68 1.47 -1.32 0.00 0.00 175.29 175.01 1smy n LEU 902 N 3.16 1.70 -1.19 2.60 -0.00 -1.26 -3.63 117.00 118.38 1smy n LEU 902 Ca 0.12 -0.86 0.11 0.00 -0.00 0.00 0.00 56.01 55.37 1smy n LEU 902 Cb 0.38 -0.52 0.29 0.00 -0.00 0.00 0.00 43.42 43.56 1smy n LEU 902 CO 0.34 0.32 0.74 0.47 -0.00 0.00 0.00 177.39 179.26 1smy n ASP 903 N 0.09 3.47 -3.85 1.45 10.43 -1.26 -4.96 116.55 121.93 1smy n ASP 903 Ca 0.03 -1.99 -0.07 0.00 2.57 0.00 0.00 54.79 55.33 1smy n ASP 903 Cb 0.38 -0.42 -0.02 0.00 1.84 0.00 0.00 41.12 42.90 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 -1.17 0.00 0.28 2.53 -7.23 -1.24 -5.14 120.40 108.43 1smy s VAL 904 Ca 0.43 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 59.34 1smy s VAL 904 Cb 0.23 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 35.11 1smy s VAL 904 CO 0.30 -0.00 1.11 -2.84 -0.31 0.00 0.00 175.10 173.36 1smy s PRO 905 N -3.92 4.62 -0.20 4.82 0.02 -1.26 -4.88 135.00 134.21 1smy s PRO 905 Ca 0.11 1.83 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 1smy s PRO 905 Cb -0.05 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 1smy s PRO 905 CO 0.06 0.19 1.75 -0.65 -0.33 0.00 0.00 177.00 178.01 1smy s GLN 906 N -1.46 3.72 0.36 5.54 -1.52 -1.25 -4.97 119.66 120.08 1smy s GLN 906 Ca 0.45 1.81 0.08 0.00 -1.95 0.00 0.00 55.36 55.74 1smy s GLN 906 Cb -0.32 -4.10 -0.03 0.00 -0.22 0.00 0.00 33.01 28.33 1smy s GLN 906 CO 0.42 -1.39 0.27 -1.83 -0.25 0.00 0.00 175.29 172.50 1smy s GLU 907 N 4.93 2.54 0.26 2.91 4.04 -1.26 -4.30 118.70 127.82 1smy s GLU 907 Ca 0.78 -1.47 -0.02 0.00 0.04 0.00 0.00 54.97 54.30 1smy s GLU 907 Cb -0.28 -2.33 0.53 0.00 0.02 0.00 0.00 34.13 32.07 1smy s GLU 907 CO 0.32 0.00 1.71 -0.22 -1.84 0.00 0.00 175.26 175.23 1smy h LYS 908 N 1.28 0.39 -0.23 -4.83 3.64 -1.90 -0.22 116.57 114.70 1smy h LYS 908 Ca -0.43 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.86 1smy h LYS 908 Cb 1.26 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1smy h LYS 908 CO 0.60 0.26 -0.09 -0.91 -2.27 0.00 0.00 179.45 177.04 1smy h ASN 909 N 0.40 0.48 -0.55 4.20 2.35 -1.98 0.27 115.58 120.76 1smy h ASN 909 Ca 0.45 -0.39 0.10 0.00 -0.55 0.00 0.00 56.30 55.91 1smy h ASN 909 Cb 0.76 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.92 1smy h ASN 909 CO -0.46 0.76 0.13 -1.28 -1.65 0.00 0.00 177.43 174.93 1smy h SER 910 N 0.19 0.03 0.32 5.81 0.87 -1.57 0.24 113.55 119.44 1smy h SER 910 Ca 0.05 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1smy h SER 910 Cb 0.57 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1smy h SER 910 CO 0.03 0.04 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.14 1smy h LEU 911 N 0.27 -0.36 -0.83 2.23 4.07 -1.03 0.43 115.31 120.09 1smy h LEU 911 Ca 0.28 -0.17 0.19 0.00 0.08 0.00 0.00 57.88 58.27 1smy h LEU 911 Cb 0.39 0.09 -0.15 0.00 1.08 0.00 0.00 40.66 42.07 1smy h LEU 911 CO -0.35 -0.00 -0.01 0.50 -1.08 0.00 0.00 178.44 177.49 1smy h LYS 912 N -0.76 0.07 0.03 1.13 3.64 0.11 0.78 116.57 121.57 1smy h LYS 912 Ca -0.04 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1smy h LYS 912 Cb 0.50 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1smy h LYS 912 CO 0.07 0.05 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.84 1smy h ASP 913 N 0.07 -0.04 -0.70 4.20 3.45 -0.44 -1.00 116.42 121.97 1smy h ASP 913 Ca 0.46 -0.04 0.15 0.00 0.43 0.00 0.00 57.03 58.03 1smy h ASP 913 Cb 0.83 0.01 -0.12 0.00 -0.56 0.00 0.00 39.33 39.49 1smy h ASP 913 CO -0.75 0.01 -0.01 0.25 -1.57 0.00 0.00 179.24 177.17 1smy h LEU 914 N -0.08 -0.35 0.39 1.55 6.46 0.26 0.21 115.31 123.74 1smy h LEU 914 Ca -0.00 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1smy h LEU 914 Cb 0.07 0.33 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1smy h LEU 914 CO 0.01 -0.16 -0.22 0.58 -0.62 0.00 0.00 178.44 178.02 1smy h VAL 915 N 0.10 0.54 -0.51 1.05 2.07 0.17 0.69 116.25 120.35 1smy h VAL 915 Ca 0.37 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.99 1smy h VAL 915 Cb 0.63 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 1smy h VAL 915 CO -0.62 0.00 0.02 0.22 0.02 0.00 0.00 177.57 177.20 1smy h TYR 916 N -0.57 -0.00 0.12 1.57 5.03 0.22 0.16 116.97 123.50 1smy h TYR 916 Ca -0.04 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.31 1smy h TYR 916 Cb 0.46 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.81 1smy h TYR 916 CO -0.08 -0.10 -0.16 0.37 -1.32 0.00 0.00 178.16 176.86 1smy h GLN 917 N 0.13 -0.32 -0.99 1.82 5.75 -0.37 -2.05 115.11 119.09 1smy h GLN 917 Ca 0.26 0.02 0.23 0.00 -0.15 0.00 0.00 58.65 59.01 1smy h GLN 917 Cb 0.39 0.07 -0.12 0.00 1.07 0.00 0.00 27.48 28.90 1smy h GLN 917 CO -0.42 -0.21 0.57 0.00 -2.65 0.00 0.00 178.83 176.12 1smy h ALA 918 N 0.50 1.71 -2.54 3.38 0.00 0.35 0.03 119.26 122.69 1smy h ALA 918 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1smy h ALA 918 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1smy h ALA 918 CO -0.07 -0.23 0.00 0.34 0.00 0.00 0.00 179.25 179.29 1smy n PHE 919 N -4.88 0.00 -0.32 0.00 -0.00 -0.07 -1.76 117.46 110.42 1smy n PHE 919 Ca 0.25 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.78 1smy n PHE 919 Cb 0.69 -0.08 0.17 0.00 -0.00 0.00 0.00 39.48 40.27 1smy n PHE 919 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1smy h LEU 920 N 0.00 -0.68 0.00 -2.13 4.07 -1.32 -3.10 115.31 112.15 1smy h LEU 920 Ca 0.00 0.27 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1smy h LEU 920 Cb 0.00 0.52 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1smy h LEU 920 CO 0.00 -0.30 0.00 0.54 -1.08 0.00 0.00 178.44 177.60 1smy n ARG 921 N -5.53 0.00 0.00 1.13 5.12 -0.02 -4.74 116.66 112.62 1smy n ARG 921 Ca 0.17 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 1smy n ARG 921 Cb 0.55 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.64 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 -1.46 0.30 -3.63 0.55 4.77 -0.72 -5.08 117.00 111.73 1smy n LEU 922 Ca 0.00 0.03 -0.03 0.00 -0.03 0.00 0.00 56.01 55.98 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 0.89 -0.83 -1.33 0.00 0.00 177.39 176.12 1smy s GLY 923 N -0.10 -0.35 0.01 -0.72 0.00 -1.18 -5.03 107.32 99.96 1smy s GLY 923 Ca 0.00 0.80 -0.06 0.00 0.00 0.00 0.00 44.72 45.45 1smy s GLY 923 CO 0.00 0.22 1.10 1.98 0.00 0.00 0.00 173.10 176.40 1smy h MET 924 N 2.00 -0.21 -0.96 2.90 4.05 -1.90 -0.71 114.93 120.11 1smy h MET 924 Ca -0.22 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.31 1smy h MET 924 Cb 1.21 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.98 1smy h MET 924 CO 0.27 -0.14 0.61 1.05 0.23 0.00 0.00 176.91 178.93 1smy h GLU 925 N -0.21 0.95 -0.70 0.39 4.11 -1.98 -0.14 114.58 116.99 1smy h GLU 925 Ca -0.02 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 1smy h GLU 925 Cb 0.17 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1smy h GLU 925 CO 0.02 0.63 0.22 -0.22 0.07 0.00 0.00 179.01 179.73 1smy h LYS 926 N 0.97 1.08 -0.93 1.06 3.64 -1.95 -1.64 116.57 118.82 1smy h LYS 926 Ca 0.45 -0.23 0.12 0.00 -1.27 0.00 0.00 60.65 59.72 1smy h LYS 926 Cb 0.41 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1smy h LYS 926 CO -0.21 0.93 0.59 1.15 -2.27 0.00 0.00 179.45 179.64 1smy h THR 927 N 1.03 0.91 -0.36 1.00 2.02 0.55 -0.97 112.91 117.08 1smy h THR 927 Ca 0.23 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.17 1smy h THR 927 Cb 0.30 -0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.63 1smy h THR 927 CO -0.01 0.16 0.06 0.00 0.37 0.00 0.00 175.52 176.10 1smy h ALA 928 N 1.57 0.38 0.20 6.16 0.00 -0.63 -2.03 119.26 124.91 1smy h ALA 928 Ca 0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1smy h ALA 928 Cb 0.54 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1smy h ALA 928 CO -0.22 -0.34 -0.41 0.00 0.00 0.00 0.00 179.25 178.28 1smy h ARG 929 N 0.18 -0.64 -1.14 0.00 3.08 -0.95 -1.45 114.38 113.46 1smy h ARG 929 Ca 0.17 0.04 0.32 0.00 0.07 0.00 0.00 59.98 60.59 1smy h ARG 929 Cb 0.21 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.32 1smy h ARG 929 CO -0.24 -0.43 0.76 1.25 -1.07 0.00 0.00 179.97 180.24 1smy h LEU 930 N -0.66 0.28 0.75 3.04 5.85 -1.39 0.42 115.31 123.59 1smy h LEU 930 Ca -0.02 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1smy h LEU 930 Cb 0.63 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1smy h LEU 930 CO -0.16 0.02 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.44 1smy h LEU 931 N 0.23 -1.13 -0.73 2.25 3.38 -0.52 0.68 115.31 119.46 1smy h LEU 931 Ca 0.62 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.67 1smy h LEU 931 Cb 1.92 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 42.96 1smy h LEU 931 CO -0.23 -0.70 0.48 0.44 0.09 0.00 0.00 178.44 178.52 1smy h ASP 932 N -1.13 0.81 -0.66 -0.43 3.32 -0.86 -0.30 116.42 117.18 1smy h ASP 932 Ca -0.10 -0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.08 1smy h ASP 932 Cb 0.90 -0.19 -0.12 0.00 0.22 0.00 0.00 39.33 40.14 1smy h ASP 932 CO 0.11 0.58 -0.05 0.00 -1.72 0.00 0.00 179.24 178.15 1smy h ALA 933 N 1.29 0.59 -0.26 3.45 0.00 -0.61 0.48 119.26 124.19 1smy h ALA 933 Ca 0.28 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 1smy h ALA 933 Cb -0.06 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1smy h ALA 933 CO -0.08 -0.41 -0.06 -0.07 0.00 0.00 0.00 179.25 178.63 1smy h LEU 934 N 0.07 0.51 -0.90 0.00 3.38 -0.23 -2.93 115.31 115.21 1smy h LEU 934 Ca 0.34 -0.36 0.18 0.00 0.09 0.00 0.00 57.88 58.13 1smy h LEU 934 Cb 0.56 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 1smy h LEU 934 CO -0.60 0.76 0.47 0.50 0.09 0.00 0.00 178.44 179.66 1smy h LYS 935 N 0.26 0.57 0.00 1.13 3.64 0.89 -0.07 116.57 123.00 1smy h LYS 935 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1smy h LYS 935 Cb 0.53 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1smy h LYS 935 CO 0.03 0.38 0.00 0.98 -2.27 0.00 0.00 179.45 178.56 1smy n TYR 936 N -4.90 0.00 -0.37 1.91 -0.00 0.14 -2.25 117.16 111.69 1smy n TYR 936 Ca 0.20 0.00 0.32 0.00 -0.00 0.00 0.00 57.90 58.42 1smy n TYR 936 Cb 0.54 0.00 0.58 0.00 -0.00 0.00 0.00 39.34 40.47 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 0.73 0.25 2.98 -1.99 -1.51 0.50 116.97 117.94 1smy h TYR 937 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1smy h TYR 937 Cb 0.00 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.53 1smy h TYR 937 CO 0.00 -0.29 -0.28 0.78 -0.00 0.00 0.00 178.16 178.37 1smy h GLY 938 N 0.12 -0.60 0.83 3.88 0.00 -1.07 0.27 103.07 106.50 1smy h GLY 938 Ca 0.81 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 48.44 1smy h GLY 938 CO -0.59 -0.24 -0.29 0.74 0.00 0.00 0.00 176.54 176.16 1smy h PHE 939 N -0.57 -0.77 -0.23 5.60 0.05 0.37 -0.93 116.94 120.45 1smy h PHE 939 Ca -0.00 -0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.81 1smy h PHE 939 Cb 0.53 0.28 -0.05 0.00 2.00 0.00 0.00 35.95 38.72 1smy h PHE 939 CO -0.19 -0.44 -0.35 1.15 -0.18 0.00 0.00 178.31 178.30 1smy h THR 940 N -0.71 0.00 -0.84 -1.55 2.02 -0.85 -1.05 112.91 109.94 1smy h THR 940 Ca -0.05 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.24 1smy h THR 940 Cb 0.59 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 1smy h THR 940 CO 0.03 0.00 0.54 -0.26 0.37 0.00 0.00 175.52 176.21 1smy h PHE 941 N -0.26 0.83 -0.36 3.16 0.05 -0.45 -2.20 116.94 117.71 1smy h PHE 941 Ca 0.04 0.02 0.07 0.00 3.82 0.00 0.00 57.97 61.93 1smy h PHE 941 Cb 0.38 -0.27 -0.07 0.00 2.00 0.00 0.00 35.95 37.99 1smy h PHE 941 CO -0.66 0.37 -0.10 1.03 -0.18 0.00 0.00 178.31 178.77 1smy h SER 942 N 0.76 -0.37 -0.00 2.17 0.87 0.15 0.39 113.55 117.52 1smy h SER 942 Ca 0.39 0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.99 1smy h SER 942 Cb 0.49 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1smy h SER 942 CO -0.16 -0.13 -0.19 0.74 -0.53 0.00 0.00 176.83 176.56 1smy h THR 943 N -0.02 1.23 0.00 2.23 2.02 -0.90 -3.12 112.91 114.36 1smy h THR 943 Ca 0.17 -1.05 -0.15 0.00 0.77 0.00 0.00 66.41 66.16 1smy h THR 943 Cb 0.28 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1smy h THR 943 CO -0.38 0.33 -0.57 0.71 0.37 0.00 0.00 175.52 175.98 1smy h THR 944 N 0.32 1.44 -1.86 3.16 1.35 -1.36 -3.30 112.91 112.67 1smy h THR 944 Ca 0.06 -2.08 0.54 0.00 -0.55 0.00 0.00 66.41 64.38 1smy h THR 944 Cb 0.52 2.62 -0.08 0.00 -1.73 0.00 0.00 68.15 69.49 1smy h THR 944 CO 0.03 0.60 1.33 -1.54 -0.25 0.00 0.00 175.52 175.70 1smy n SER 945 N -4.24 0.01 -3.33 5.36 3.41 0.07 -4.79 113.62 110.11 1smy n SER 945 Ca -0.10 0.95 -0.17 0.00 -0.26 0.00 0.00 58.87 59.29 1smy n SER 945 Cb 0.66 -0.48 0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1smy n SER 945 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1smy n GLY 946 N -1.86 -0.97 3.31 5.00 0.00 -1.24 -4.99 105.19 104.43 1smy n GLY 946 Ca 0.42 0.47 -0.35 0.00 0.00 0.00 0.00 46.02 46.56 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 -3.40 3.38 0.00 -0.61 -5.25 -1.26 -5.08 121.20 108.98 1smy s ILE 947 Ca 0.36 -0.53 0.00 0.00 -0.99 0.00 0.00 60.65 59.49 1smy s ILE 947 Cb -0.05 -2.56 0.00 0.00 2.95 0.00 0.00 42.46 42.80 1smy s ILE 947 CO 0.75 0.39 0.00 0.35 -1.79 0.00 0.00 174.94 174.64 1smy n THR 948 N 4.79 0.00 -3.70 8.37 -2.24 -1.26 -5.10 114.28 115.14 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 0.50 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.77 0.57 0.11 2.28 1.01 -1.26 -4.70 121.20 118.44 1smy s ILE 949 Ca 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 1smy s ILE 949 Cb 0.00 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1smy s ILE 949 CO 0.00 -0.52 0.29 -0.83 0.00 0.00 0.00 174.94 173.88 1smy s GLY 950 N 1.79 2.13 0.46 6.18 0.00 -1.26 -4.97 107.32 111.66 1smy s GLY 950 Ca 0.06 -0.76 0.30 0.00 0.00 0.00 0.00 44.72 44.32 1smy s GLY 950 CO -0.21 -0.72 1.71 1.19 0.00 0.00 0.00 173.10 175.07 1smy h ILE 951 N 1.98 0.31 0.00 0.90 -0.00 -1.99 0.59 117.51 119.30 1smy h ILE 951 Ca -0.46 -0.05 0.00 0.00 -0.00 0.00 0.00 64.86 64.35 1smy h ILE 951 Cb 1.17 0.14 0.00 0.00 -0.00 0.00 0.00 36.82 38.13 1smy h ILE 951 CO 0.74 0.03 0.00 -0.67 -0.00 0.00 0.00 178.15 178.24 1smy n ASP 952 N -4.47 0.29 -0.09 2.19 2.03 -1.26 -2.57 116.55 112.67 1smy n ASP 952 Ca 0.31 -1.24 -0.14 0.00 0.52 0.00 0.00 54.79 54.24 1smy n ASP 952 Cb 1.27 -0.14 -0.14 0.00 -0.72 0.00 0.00 41.12 41.39 1smy n ASP 952 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1smy n ASP 953 N -0.18 1.16 -4.57 1.67 10.43 0.21 -4.54 116.55 120.72 1smy n ASP 953 Ca 0.00 0.02 -0.38 0.00 2.57 0.00 0.00 54.79 57.01 1smy n ASP 953 Cb 0.07 0.08 -0.03 0.00 1.84 0.00 0.00 41.12 43.08 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 -2.52 2.65 0.16 2.24 0.00 -1.06 -4.77 121.76 118.45 1smy s ALA 954 Ca -0.21 -2.41 -0.30 0.00 0.00 0.00 0.00 51.96 49.05 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 0.73 -3.95 1.07 0.08 0.00 0.00 0.00 175.76 173.69 1smy s VAL 955 N 6.49 4.01 -0.21 0.00 1.01 -1.26 -4.76 120.40 125.68 1smy s VAL 955 Ca 0.57 1.71 -0.13 0.00 0.00 0.00 0.00 61.98 64.13 1smy s VAL 955 Cb 0.01 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1smy s VAL 955 CO 0.03 0.29 0.25 -0.63 0.00 0.00 0.00 175.10 175.04 1smy s ILE 956 N -0.17 5.31 0.43 2.22 1.01 -1.26 -4.67 121.20 124.07 1smy s ILE 956 Ca 0.49 0.41 -0.24 0.00 0.00 0.00 0.00 60.65 61.31 1smy s ILE 956 Cb -0.28 -3.59 -0.08 0.00 0.01 0.00 0.00 42.46 38.52 1smy s ILE 956 CO 0.34 0.34 1.16 -2.84 0.00 0.00 0.00 174.94 173.94 1smy s PRO 957 N 0.89 3.91 0.49 2.79 0.02 -1.26 -4.91 135.00 136.92 1smy s PRO 957 Ca 0.13 1.78 0.24 0.00 0.02 0.00 0.00 61.00 63.17 1smy s PRO 957 Cb -0.13 -2.53 1.25 0.00 0.02 0.00 0.00 34.50 33.11 1smy s PRO 957 CO 0.04 -0.43 2.00 1.49 -0.33 0.00 0.00 177.00 179.77 1smy h GLU 958 N 2.32 0.00 0.00 5.54 4.57 -1.97 -2.21 114.58 122.83 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 0.61 0.17 0.00 -0.85 -1.18 0.00 0.00 179.01 177.77 1smy n GLU 959 N -3.71 0.16 0.06 1.92 0.00 -1.26 -3.70 120.64 114.11 1smy n GLU 959 Ca -0.02 0.42 -0.07 0.00 0.00 0.00 0.00 57.16 57.49 1smy n GLU 959 Cb 0.29 -1.83 -0.04 0.00 0.00 0.00 0.00 31.44 29.86 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 -0.33 -1.01 3.44 3.64 -1.78 0.31 116.57 120.84 1smy h LYS 960 Ca 0.00 0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.65 1smy h LYS 960 Cb 0.32 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 1smy h LYS 960 CO 0.00 -0.22 0.66 1.57 -2.27 0.00 0.00 179.45 179.19 1smy h LYS 961 N -0.34 0.39 0.11 1.90 2.10 -1.80 0.31 116.57 119.23 1smy h LYS 961 Ca -0.01 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 1smy h LYS 961 Cb 0.34 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1smy h LYS 961 CO -0.11 0.25 -0.05 1.96 -2.00 0.00 0.00 179.45 179.50 1smy h GLN 962 N 0.40 -0.14 -1.19 0.07 4.20 -1.45 0.03 115.11 117.02 1smy h GLN 962 Ca 0.56 0.01 0.35 0.00 0.06 0.00 0.00 58.65 59.63 1smy h GLN 962 Cb 1.43 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.19 1smy h GLN 962 CO -0.26 -0.10 0.94 1.88 -0.67 0.00 0.00 178.83 180.63 1smy h TYR 963 N -0.19 0.00 0.25 2.96 0.05 0.18 0.25 116.97 120.48 1smy h TYR 963 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1smy h TYR 963 Cb 0.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1smy h TYR 963 CO 0.14 0.00 -0.12 1.25 -1.05 0.00 0.00 178.16 178.38 1smy h LEU 964 N 0.00 -0.29 -0.38 3.88 5.85 -0.30 -2.95 115.31 121.11 1smy h LEU 964 Ca 0.57 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 59.20 1smy h LEU 964 Cb 2.44 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 43.51 1smy h LEU 964 CO -0.01 0.21 0.13 -0.08 -0.34 0.00 0.00 178.44 178.35 1smy h GLU 965 N -1.03 0.28 0.38 1.25 4.57 0.12 0.60 114.58 120.75 1smy h GLU 965 Ca -0.03 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1smy h GLU 965 Cb 0.40 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1smy h GLU 965 CO 0.06 0.18 -0.46 0.93 -1.18 0.00 0.00 179.01 178.54 1smy h GLU 966 N 0.29 -0.83 -0.02 1.92 5.08 -0.77 0.13 114.58 120.38 1smy h GLU 966 Ca 0.17 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1smy h GLU 966 Cb 0.15 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1smy h GLU 966 CO -0.18 -0.55 0.03 0.00 -1.00 0.00 0.00 179.01 177.30 1smy h ALA 967 N -0.92 1.61 0.44 3.43 0.00 -1.33 -1.69 119.26 120.80 1smy h ALA 967 Ca -0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1smy h ALA 967 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1smy h ALA 967 CO -0.10 -0.04 -0.21 0.22 0.00 0.00 0.00 179.25 179.12 1smy h ASP 968 N 0.00 -0.50 -0.59 0.00 1.82 0.19 -1.17 116.42 116.18 1smy h ASP 968 Ca 0.01 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.53 1smy h ASP 968 Cb 0.06 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.17 1smy h ASP 968 CO -0.00 -0.19 0.24 0.08 -1.61 0.00 0.00 179.24 177.76 1smy h ARG 969 N -0.81 0.91 -0.13 0.28 0.11 -0.30 -0.37 114.38 114.07 1smy h ARG 969 Ca -0.06 -0.15 0.02 0.00 0.10 0.00 0.00 59.98 59.89 1smy h ARG 969 Cb 0.55 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 1smy h ARG 969 CO 0.10 0.75 0.09 -0.22 0.10 0.00 0.00 179.97 180.79 1smy h LYS 970 N 0.89 0.08 -0.16 0.08 3.11 -1.21 0.38 116.57 119.74 1smy h LYS 970 Ca 0.21 -0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.97 1smy h LYS 970 Cb 0.18 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1smy h LYS 970 CO -0.02 0.05 -0.22 1.25 -2.81 0.00 0.00 179.45 177.70 1smy h LEU 971 N 0.08 0.28 -0.57 5.20 5.85 0.23 -2.21 115.31 124.16 1smy h LEU 971 Ca 0.06 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1smy h LEU 971 Cb 0.12 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1smy h LEU 971 CO -0.01 0.51 -0.21 0.25 -0.34 0.00 0.00 178.44 178.65 1smy h LEU 972 N 0.26 0.94 -0.13 2.25 6.46 -0.02 -2.44 115.31 122.63 1smy h LEU 972 Ca 0.04 -0.35 0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1smy h LEU 972 Cb 0.54 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1smy h LEU 972 CO 0.04 1.11 -0.03 1.56 -0.62 0.00 0.00 178.44 180.49 1smy h GLN 973 N 0.80 -0.00 -0.55 1.25 7.50 -0.75 0.12 115.11 123.47 1smy h GLN 973 Ca 0.11 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.36 1smy h GLN 973 Cb 0.76 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.26 1smy h GLN 973 CO 0.06 -0.00 0.37 0.82 -1.50 0.00 0.00 178.83 178.58 1smy h ILE 974 N -0.00 0.89 -0.04 2.54 2.04 -1.29 0.86 117.51 122.50 1smy h ILE 974 Ca 0.06 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1smy h ILE 974 Cb 0.10 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1smy h ILE 974 CO -0.13 0.06 -0.14 -0.33 0.00 0.00 0.00 178.15 177.61 1smy h GLU 975 N 0.34 0.17 -0.95 2.37 4.39 -0.70 -2.42 114.58 117.78 1smy h GLU 975 Ca 0.25 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1smy h GLU 975 Cb 0.56 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 1smy h GLU 975 CO -0.06 0.76 0.63 0.37 -1.16 0.00 0.00 179.01 179.55 1smy h GLN 976 N -0.38 1.25 0.00 2.33 5.75 -0.20 0.28 115.11 124.15 1smy h GLN 976 Ca -0.01 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1smy h GLN 976 Cb 0.77 -0.28 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1smy h GLN 976 CO 0.03 0.83 0.00 0.00 -2.65 0.00 0.00 178.83 177.04 1smy h ALA 977 N 1.35 1.00 0.03 3.38 0.00 -0.84 -2.88 119.26 121.29 1smy h ALA 977 Ca 0.35 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.87 1smy h ALA 977 Cb -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1smy h ALA 977 CO -0.08 0.00 -2.32 0.98 0.00 0.00 0.00 179.25 177.83 1smy n TYR 978 N -2.77 0.32 0.15 0.00 9.36 0.02 -2.80 117.16 121.45 1smy n TYR 978 Ca -0.01 0.08 0.19 0.00 3.32 0.00 0.00 57.90 61.49 1smy n TYR 978 Cb 0.17 -1.04 0.77 0.00 -0.63 0.00 0.00 39.34 38.61 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 -0.19 0.00 0.12 2.98 4.81 -0.39 -0.81 114.58 121.09 1smy h GLU 979 Ca -0.55 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.48 1smy h GLU 979 Cb 1.85 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.25 1smy h GLU 979 CO -0.11 0.00 -0.89 0.52 -0.73 0.00 0.00 179.01 177.80 1smy h MET 980 N 0.00 0.25 0.00 1.92 2.86 -1.69 -3.49 114.93 114.78 1smy h MET 980 Ca 0.15 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1smy h MET 980 Cb 0.94 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1smy h MET 980 CO -0.00 1.20 0.00 0.41 1.06 0.00 0.00 176.91 179.58 1smy n GLY 981 N 1.67 1.62 0.11 8.32 0.00 -0.31 -5.06 105.19 111.55 1smy n GLY 981 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.15 -3.19 1.61 -1.00 -1.72 -3.45 116.94 109.03 1smy h PHE 982 Ca 0.00 -0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.20 1smy h PHE 982 Cb 0.00 0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.57 1smy h PHE 982 CO 0.00 0.34 -0.25 -0.51 -1.61 0.00 0.00 178.31 176.28 1smy s LEU 983 N -8.96 4.28 0.63 1.54 1.02 -1.22 -5.07 118.68 110.89 1smy s LEU 983 Ca -0.14 0.72 -0.14 0.00 0.02 0.00 0.00 54.13 54.60 1smy s LEU 983 Cb 0.00 -3.26 -0.02 0.00 0.02 0.00 0.00 46.19 42.93 1smy s LEU 983 CO 0.52 0.07 1.05 0.28 0.02 0.00 0.00 176.35 178.30 1smy s THR 984 N -1.59 4.00 0.41 5.49 -1.32 -1.26 -4.81 115.64 116.56 1smy s THR 984 Ca 0.39 0.82 0.23 0.00 -1.21 0.00 0.00 61.69 61.92 1smy s THR 984 Cb -0.13 -3.44 0.42 0.00 -1.51 0.00 0.00 72.50 67.84 1smy s THR 984 CO 0.22 -0.68 1.69 -0.78 -2.21 0.00 0.00 174.62 172.85 1smy h ASP 985 N 0.02 0.37 0.03 8.08 3.58 -1.99 0.26 116.42 126.76 1smy h ASP 985 Ca -0.46 0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.05 1smy h ASP 985 Cb 1.21 0.08 0.01 0.00 1.72 0.00 0.00 39.33 42.35 1smy h ASP 985 CO 0.58 -0.06 -0.28 -0.09 -2.88 0.00 0.00 179.24 176.50 1smy h ARG 986 N 0.25 0.15 -0.67 0.28 9.65 -2.01 -3.29 114.38 118.73 1smy h ARG 986 Ca 0.71 -0.19 0.14 0.00 -1.10 0.00 0.00 59.98 59.54 1smy h ARG 986 Cb 1.98 0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 30.50 1smy h ARG 986 CO -0.40 1.00 -0.10 0.93 2.80 0.00 0.00 179.97 184.20 1smy h GLU 987 N -0.62 0.04 -0.42 0.20 5.08 -1.32 -1.01 114.58 116.54 1smy h GLU 987 Ca -0.04 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1smy h GLU 987 Cb 1.12 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.27 1smy h GLU 987 CO 0.05 0.03 -0.51 -0.09 -1.00 0.00 0.00 179.01 177.49 1smy h ARG 988 N 0.04 -0.36 0.00 2.33 1.12 -1.48 0.09 114.38 116.13 1smy h ARG 988 Ca 0.34 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.23 1smy h ARG 988 Cb 0.55 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.59 1smy h ARG 988 CO -0.65 -0.24 0.00 0.98 -3.11 0.00 0.00 179.97 176.95 1smy n TYR 989 N -5.39 0.00 -0.23 2.20 9.36 -0.44 -0.99 117.16 121.67 1smy n TYR 989 Ca -0.02 0.00 0.29 0.00 3.32 0.00 0.00 57.90 61.48 1smy n TYR 989 Cb 0.35 -0.46 0.69 0.00 -0.63 0.00 0.00 39.34 39.29 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 0.09 -0.16 2.98 5.19 -1.31 0.19 116.42 123.39 1smy h ASP 990 Ca 0.00 0.01 -0.19 0.00 -0.62 0.00 0.00 57.03 56.24 1smy h ASP 990 Cb 0.00 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 1smy h ASP 990 CO 0.00 0.02 -0.63 -0.61 -3.12 0.00 0.00 179.24 174.91 1smy h GLN 991 N 0.08 0.71 0.57 3.56 4.15 -0.61 -2.50 115.11 121.06 1smy h GLN 991 Ca 0.48 -0.55 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 1smy h GLN 991 Cb 1.77 0.10 0.01 0.00 0.21 0.00 0.00 27.48 29.57 1smy h GLN 991 CO -0.05 1.17 -0.27 0.82 -1.93 0.00 0.00 178.83 178.56 1smy h ILE 992 N 0.41 0.39 -0.80 2.39 2.04 0.11 -2.35 117.51 119.70 1smy h ILE 992 Ca -0.03 -0.22 0.19 0.00 1.00 0.00 0.00 64.86 65.79 1smy h ILE 992 Cb 1.26 0.47 -0.12 0.00 -0.74 0.00 0.00 36.82 37.69 1smy h ILE 992 CO 0.13 0.03 0.23 -0.07 0.00 0.00 0.00 178.15 178.48 1smy h LEU 993 N -0.91 0.08 -0.13 1.44 3.38 -1.41 0.09 115.31 117.84 1smy h LEU 993 Ca -0.08 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1smy h LEU 993 Cb 0.64 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 1smy h LEU 993 CO 0.13 -0.05 -0.43 -0.61 0.09 0.00 0.00 178.44 177.57 1smy h GLN 994 N 0.29 -0.43 -0.84 1.13 5.75 -1.27 0.23 115.11 119.97 1smy h GLN 994 Ca 0.47 0.03 0.13 0.00 -0.15 0.00 0.00 58.65 59.13 1smy h GLN 994 Cb 0.85 0.10 -0.14 0.00 1.07 0.00 0.00 27.48 29.36 1smy h GLN 994 CO -0.54 -0.29 -0.39 1.25 -2.65 0.00 0.00 178.83 176.21 1smy h LEU 995 N -0.44 -1.42 0.54 -2.39 5.85 -0.46 -0.26 115.31 116.73 1smy h LEU 995 Ca 0.03 0.28 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 1smy h LEU 995 Cb 0.53 0.71 0.01 0.00 0.37 0.00 0.00 40.66 42.28 1smy h LEU 995 CO -0.36 -0.29 -0.26 -0.50 -0.34 0.00 0.00 178.44 176.69 1smy h TRP 996 N -0.07 -0.67 -1.18 1.25 -0.00 -0.67 0.27 115.95 114.88 1smy h TRP 996 Ca 0.28 -0.02 0.34 0.00 -0.00 0.00 0.00 58.89 59.50 1smy h TRP 996 Cb 0.57 0.22 -0.10 0.00 -0.00 0.00 0.00 29.16 29.85 1smy h TRP 996 CO -0.80 -0.41 0.78 1.15 -0.00 0.00 0.00 178.44 179.15 1smy h THR 997 N -0.73 0.37 0.24 1.49 2.02 0.57 1.12 112.91 117.98 1smy h THR 997 Ca -0.07 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1smy h THR 997 Cb 0.56 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1smy h THR 997 CO 0.12 0.04 -0.11 -0.33 0.37 0.00 0.00 175.52 175.61 1smy h GLU 998 N 0.22 -0.31 -0.88 6.66 5.08 -0.39 -2.90 114.58 122.07 1smy h GLU 998 Ca 0.67 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 59.24 1smy h GLU 998 Cb 2.02 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 31.23 1smy h GLU 998 CO -0.28 -0.14 0.43 1.15 -1.00 0.00 0.00 179.01 179.18 1smy h THR 999 N -1.06 0.61 0.62 1.13 2.02 0.18 0.62 112.91 117.02 1smy h THR 999 Ca -0.03 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1smy h THR 999 Cb 0.31 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1smy h THR 999 CO 0.05 0.10 -0.38 0.74 0.37 0.00 0.00 175.52 176.40 1smy h THR 1000N 0.53 0.00 -0.36 3.16 2.02 0.11 -1.15 112.91 117.22 1smy h THR 1000Ca 0.52 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.80 1smy h THR 1000Cb 0.87 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1smy h THR 1000CO -0.44 0.00 0.53 -0.08 0.37 0.00 0.00 175.52 175.90 1smy h GLU 1001N -0.93 0.00 0.32 6.66 4.22 -1.09 -1.19 114.58 122.57 1smy h GLU 1001Ca -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.34 1smy h GLU 1001Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1smy h GLU 1001CO 0.09 0.00 -0.15 0.87 -2.18 0.00 0.00 179.01 177.63 1smy h LYS 1002N 0.00 -0.42 -0.47 1.92 1.57 0.29 -3.05 116.57 116.41 1smy h LYS 1002Ca 0.17 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1smy h LYS 1002Cb 1.23 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1smy h LYS 1002CO -0.00 -0.09 0.31 -0.39 -0.57 0.00 0.00 179.45 178.71 1smy h VAL 1003N -0.92 1.06 0.03 0.50 -1.51 -0.46 -1.39 116.25 113.58 1smy h VAL 1003Ca -0.04 -0.19 0.03 0.00 -1.23 0.00 0.00 66.70 65.27 1smy h VAL 1003Cb 0.52 0.47 -0.04 0.00 -2.13 0.00 0.00 31.29 30.11 1smy h VAL 1003CO 0.07 0.10 -0.27 0.74 -1.23 0.00 0.00 177.57 176.98 1smy h THR 1004N 0.55 0.40 0.00 7.19 2.02 -1.46 0.44 112.91 122.04 1smy h THR 1004Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1smy h THR 1004Cb 0.06 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1smy h THR 1004CO -0.04 0.00 -0.11 -0.61 0.37 0.00 0.00 175.52 175.13 1smy h GLN 1005N -0.43 0.00 -0.04 6.66 4.15 -1.34 -2.90 115.11 121.20 1smy h GLN 1005Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1smy h GLN 1005Cb 0.50 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1smy h GLN 1005CO -0.21 0.11 -0.05 0.00 -1.93 0.00 0.00 178.83 176.75 1smy h ALA 1006N 1.89 0.06 -0.27 3.38 0.00 0.32 -1.93 119.26 122.72 1smy h ALA 1006Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1smy h ALA 1006Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1smy h ALA 1006CO 0.01 -0.15 0.17 -0.39 0.00 0.00 0.00 179.25 178.90 1smy h VAL 1007N -0.36 1.09 -0.80 0.00 -1.51 -0.08 -0.79 116.25 113.80 1smy h VAL 1007Ca 0.01 -0.18 -0.03 0.00 -1.23 0.00 0.00 66.70 65.27 1smy h VAL 1007Cb 0.56 0.73 -0.04 0.00 -2.13 0.00 0.00 31.29 30.40 1smy h VAL 1007CO 0.01 0.08 0.39 -0.26 -1.23 0.00 0.00 177.57 176.57 1smy h PHE 1008N 0.35 1.14 -0.63 5.19 -1.00 -1.59 -0.26 116.94 120.15 1smy h PHE 1008Ca 0.10 -0.05 0.10 0.00 2.81 0.00 0.00 57.97 60.92 1smy h PHE 1008Cb -0.01 -0.36 -0.04 0.00 3.61 0.00 0.00 35.95 39.15 1smy h PHE 1008CO -0.05 0.82 0.42 -0.22 -1.61 0.00 0.00 178.31 177.67 1smy h LYS 1009N 1.13 0.44 0.45 1.51 3.64 -0.78 0.69 116.57 123.65 1smy h LYS 1009Ca 0.28 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1smy h LYS 1009Cb 0.10 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1smy h LYS 1009CO -0.04 0.29 -0.22 -0.97 -2.27 0.00 0.00 179.45 176.25 1smy h ASN 1010N 0.46 -0.51 0.17 4.20 -0.73 0.39 -1.86 115.58 117.69 1smy h ASN 1010Ca 0.29 -0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 1smy h ASN 1010Cb 0.53 0.13 -0.00 0.00 0.27 0.00 0.00 38.32 39.25 1smy h ASN 1010CO -0.08 -0.22 -0.10 -0.26 -0.37 0.00 0.00 177.43 176.40 1smy h PHE 1011N -0.80 -0.25 -0.54 0.67 0.04 -0.26 0.31 116.94 116.11 1smy h PHE 1011Ca -0.06 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.85 1smy h PHE 1011Cb 0.55 0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 1smy h PHE 1011CO -0.00 -0.15 0.38 0.93 -0.60 0.00 0.00 178.31 178.87 1smy h GLU 1012N -0.25 0.09 0.00 1.51 5.08 0.25 -2.15 114.58 119.12 1smy h GLU 1012Ca -0.02 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1smy h GLU 1012Cb 0.20 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1smy h GLU 1012CO 0.02 0.06 -1.29 0.39 -1.00 0.00 0.00 179.01 177.20 1smy n GLU 1013N -4.41 0.55 -0.09 2.33 -0.58 -0.70 -4.70 120.64 113.04 1smy n GLU 1013Ca 0.10 0.51 -0.13 0.00 -0.42 0.00 0.00 57.16 57.22 1smy n GLU 1013Cb 0.55 -1.69 -0.06 0.00 -0.57 0.00 0.00 31.44 29.67 1smy n GLU 1013CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1smy n ASN 1014N -4.44 1.86 -4.20 1.62 3.02 0.11 -4.77 115.26 108.45 1smy n ASN 1014Ca -0.30 0.49 -0.40 0.00 -0.03 0.00 0.00 54.58 54.35 1smy n ASN 1014Cb 0.62 -0.88 -0.04 0.00 -0.61 0.00 0.00 39.78 38.88 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 -2.41 4.07 0.35 3.10 2.02 -0.82 -4.86 117.35 118.81 1smy s TYR 1015Ca -0.24 -2.91 0.39 0.00 -0.37 0.00 0.00 57.07 53.94 1smy s TYR 1015Cb 0.05 -3.48 1.85 0.00 -0.40 0.00 0.00 41.96 39.98 1smy s TYR 1015CO 0.39 -0.82 2.16 -1.35 -1.57 0.00 0.00 175.55 174.37 1smy h PRO 1016N 6.24 0.00 -0.49 -1.71 0.11 -1.80 -2.77 132.00 131.58 1smy h PRO 1016Ca 0.17 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.96 1smy h PRO 1016Cb 0.83 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.73 1smy h PRO 1016CO 0.92 0.00 -0.26 1.19 -0.21 0.00 0.00 178.00 179.65 1smy n PHE 1017N -3.08 1.67 -2.33 0.65 3.01 -1.26 -4.73 117.46 111.38 1smy n PHE 1017Ca -0.01 -1.94 -0.41 0.00 1.01 0.00 0.00 57.45 56.10 1smy n PHE 1017Cb 0.20 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 39.11 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 -2.88 7.05 0.00 4.37 3.84 -1.04 -4.89 114.94 121.39 1smy s ASN 1018Ca 0.48 2.35 0.00 0.00 0.21 0.00 0.00 52.86 55.90 1smy s ASN 1018Cb 0.41 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 38.50 1smy s ASN 1018CO -0.00 -0.36 0.85 -2.65 -2.79 0.00 0.00 177.10 172.15 1smy n PRO 1019N 1.89 0.00 -0.26 0.43 -0.02 -1.26 -0.65 135.00 135.12 1smy n PRO 1019Ca 0.02 0.76 0.03 0.00 -2.02 0.00 0.00 63.50 62.30 1smy n PRO 1019Cb 0.44 -1.35 0.12 0.00 -0.02 0.00 0.00 33.50 32.68 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 -0.60 -0.70 2.45 5.85 -1.86 -0.39 115.31 120.07 1smy h LEU 1020Ca 0.00 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1smy h LEU 1020Cb 0.00 0.44 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1smy h LEU 1020CO 0.00 -0.24 0.33 0.22 -0.34 0.00 0.00 178.44 178.41 1smy h TYR 1021N 0.03 1.02 -0.45 1.25 5.03 -1.82 -2.72 116.97 119.30 1smy h TYR 1021Ca 0.39 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.63 1smy h TYR 1021Cb 0.63 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 1smy h TYR 1021CO -0.55 0.76 0.21 0.28 -1.32 0.00 0.00 178.16 177.54 1smy h VAL 1022N 0.98 1.19 -1.00 1.81 2.07 0.79 -1.93 116.25 120.17 1smy h VAL 1022Ca 0.24 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1smy h VAL 1022Cb 0.13 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1smy h VAL 1022CO -0.03 0.21 0.64 0.24 0.02 0.00 0.00 177.57 178.65 1smy h MET 1023N 0.58 1.13 0.21 1.57 2.86 -1.18 -1.30 114.93 118.80 1smy h MET 1023Ca 0.15 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1smy h MET 1023Cb 0.14 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.54 1smy h MET 1023CO -0.02 0.75 -0.10 0.00 1.06 0.00 0.00 176.91 178.60 1smy h ALA 1024N 1.45 -0.28 0.11 6.32 0.00 -1.08 0.23 119.26 126.01 1smy h ALA 1024Ca 0.43 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1smy h ALA 1024Cb 0.17 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1smy h ALA 1024CO -0.17 -0.37 -0.14 0.37 0.00 0.00 0.00 179.25 178.94 1smy h GLN 1025N -0.87 -0.28 -7.21 0.00 4.15 -1.31 -3.41 115.11 106.18 1smy h GLN 1025Ca -0.03 0.02 -0.53 0.00 0.77 0.00 0.00 58.65 58.88 1smy h GLN 1025Cb 0.51 0.06 0.16 0.00 0.21 0.00 0.00 27.48 28.43 1smy h GLN 1025CO 0.05 -0.18 0.34 -1.54 -1.93 0.00 0.00 178.83 175.57 1smy s SER 1026N -4.95 3.95 0.62 -0.69 1.04 -0.50 -4.81 113.70 108.36 1smy s SER 1026Ca -0.15 2.26 0.30 0.00 0.48 0.00 0.00 55.95 58.83 1smy s SER 1026Cb 0.07 -2.58 1.59 0.00 0.10 0.00 0.00 66.02 65.20 1smy s SER 1026CO 0.66 -2.42 1.95 1.23 0.98 0.00 0.00 173.24 175.63 1smy h GLY 1027N -0.74 0.00 0.00 7.32 0.00 -1.80 -3.37 103.07 104.49 1smy h GLY 1027Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1smy h GLY 1027CO 0.48 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.02 1smy n ALA 1028N -2.14 0.00 -3.51 3.60 0.00 -1.23 -4.88 120.51 112.36 1smy n ALA 1028Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 1smy n ALA 1028Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 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 0.79 0.00 0.00 3.00 0.81 -4.58 118.95 118.97 1smy s ARG 1029Ca 0.00 0.67 0.00 0.00 -1.00 0.00 0.00 55.73 55.40 1smy s ARG 1029Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 34.95 35.33 1smy s ARG 1029CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 175.30 175.57 1smy n GLY 1030N 2.29 3.52 3.84 8.12 0.00 -1.26 -2.05 105.19 119.64 1smy n GLY 1030Ca -0.15 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 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 6.14 0.18 1.61 3.84 -1.26 -4.50 114.94 120.94 1smy s ASN 1031Ca 0.00 0.38 -0.23 0.00 0.21 0.00 0.00 52.86 53.21 1smy s ASN 1031Cb 0.00 -1.93 0.07 0.00 -0.55 0.00 0.00 41.25 38.85 1smy s ASN 1031CO 0.00 0.38 1.58 -0.65 -2.79 0.00 0.00 177.10 175.62 1smy h PRO 1032N 4.81 -0.20 -0.53 0.43 0.11 -1.99 0.80 132.00 135.43 1smy h PRO 1032Ca -0.53 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.66 1smy h PRO 1032Cb 1.22 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 1smy h PRO 1032CO 0.59 -0.13 0.20 1.96 -0.21 0.00 0.00 178.00 180.41 1smy h GLN 1033N -0.21 0.37 0.18 1.05 7.50 -1.99 -1.49 115.11 120.52 1smy h GLN 1033Ca 0.20 -0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.34 1smy h GLN 1033Cb 0.56 -0.08 -0.04 0.00 0.05 0.00 0.00 27.48 27.96 1smy h GLN 1033CO -0.67 0.25 -0.52 1.96 -1.50 0.00 0.00 178.83 178.35 1smy h GLN 1034N 0.39 -0.76 -0.71 1.46 4.20 -1.34 -2.21 115.11 116.14 1smy h GLN 1034Ca 0.26 0.05 0.14 0.00 0.06 0.00 0.00 58.65 59.16 1smy h GLN 1034Cb 0.27 0.17 -0.14 0.00 0.30 0.00 0.00 27.48 28.09 1smy h GLN 1034CO -0.25 -0.50 -0.19 0.82 -0.67 0.00 0.00 178.83 178.03 1smy h ILE 1035N -0.78 0.27 -0.92 2.54 1.08 -0.54 0.33 117.51 119.49 1smy h ILE 1035Ca -0.01 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.70 1smy h ILE 1035Cb 0.77 0.27 -0.13 0.00 -3.07 0.00 0.00 36.82 34.65 1smy h ILE 1035CO -0.25 0.00 0.39 -0.09 -0.69 0.00 0.00 178.15 177.51 1smy h ARG 1036N -0.01 0.33 0.00 2.37 2.43 -0.70 0.59 114.38 119.39 1smy h ARG 1036Ca 0.34 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1smy h ARG 1036Cb 0.53 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1smy h ARG 1036CO -0.74 0.22 -0.07 1.96 -1.51 0.00 0.00 179.97 179.83 1smy h GLN 1037N 0.34 0.00 0.00 0.20 4.20 0.19 0.31 115.11 120.35 1smy h GLN 1037Ca 0.59 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.26 1smy h GLN 1037Cb 1.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1smy h GLN 1037CO -0.57 0.07 -0.65 1.28 -0.67 0.00 0.00 178.83 178.29 1smy n LEU 1038N -3.50 1.82 -0.01 1.46 4.32 0.20 -0.56 117.00 120.73 1smy n LEU 1038Ca -0.02 0.60 -0.01 0.00 -0.02 0.00 0.00 56.01 56.56 1smy n LEU 1038Cb 0.20 -0.89 -0.00 0.00 -1.62 0.00 0.00 43.42 41.11 1smy n LEU 1038CO 0.28 -0.35 0.03 0.00 -1.22 0.00 0.00 177.39 176.13 1smy n GLY 1040N 1.66 0.18 0.00 0.00 0.00 -0.97 -4.63 105.19 101.43 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 -4.66 0.99 -0.00 0.11 -3.93 117.00 109.51 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 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1smy n LEU 1041CO 0.00 0.00 0.51 0.00 -0.00 0.00 0.00 177.39 177.90 1smy s ARG 1042N -1.86 4.24 -0.14 1.47 1.70 -1.22 -4.41 118.95 118.73 1smy s ARG 1042Ca 0.00 0.81 -0.09 0.00 -0.47 0.00 0.00 55.73 55.99 1smy s ARG 1042Cb 0.00 -3.59 -0.06 0.00 -0.57 0.00 0.00 34.95 30.73 1smy s ARG 1042CO 0.00 -0.32 -0.21 0.41 -1.08 0.00 0.00 175.30 174.10 1smy n GLY 1043N 3.68 -0.28 3.14 3.88 0.00 -1.26 -3.76 105.19 110.58 1smy n GLY 1043Ca 0.02 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -7.05 4.06 -0.13 0.99 1.43 -1.26 0.41 118.68 117.13 1smy s LEU 1044Ca -0.22 -1.46 -0.06 0.00 -1.03 0.00 0.00 54.13 51.36 1smy s LEU 1044Cb 0.07 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1smy s LEU 1044CO 0.28 -0.29 0.10 -0.04 0.23 0.00 0.00 176.35 176.63 1smy s MET 1045N 1.18 3.48 0.63 1.70 -1.94 -1.26 -4.98 119.30 118.11 1smy s MET 1045Ca -0.03 -0.22 -0.09 0.00 -1.71 0.00 0.00 55.69 53.64 1smy s MET 1045Cb -0.20 -3.13 -0.01 0.00 2.01 0.00 0.00 34.83 33.50 1smy s MET 1045CO -0.03 0.65 0.99 1.14 -0.01 0.00 0.00 175.02 177.77 1smy s GLN 1046N -0.69 3.12 0.99 2.03 -2.07 -1.26 -2.19 119.66 119.58 1smy s GLN 1046Ca 0.12 0.35 -0.15 0.00 -1.82 0.00 0.00 55.36 53.87 1smy s GLN 1046Cb -0.12 -2.15 0.19 0.00 -1.09 0.00 0.00 33.01 29.85 1smy s GLN 1046CO 0.03 -0.74 1.21 0.15 -1.32 0.00 0.00 175.29 174.62 1smy s LYS 1047N -5.14 0.44 0.14 9.60 1.02 -1.01 -4.18 119.74 120.61 1smy s LYS 1047Ca 0.55 -0.09 -0.26 0.00 0.02 0.00 0.00 55.97 56.19 1smy s LYS 1047Cb -0.11 -1.79 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1smy s LYS 1047CO 0.49 -2.60 1.60 -1.35 -0.92 0.00 0.00 175.35 172.58 1smy h PRO 1048N -1.78 -0.39 0.02 -1.68 0.11 -1.93 -3.13 132.00 123.22 1smy h PRO 1048Ca -0.46 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1smy h PRO 1048Cb 1.28 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.48 1smy h PRO 1048CO 0.46 -0.26 -0.02 0.66 -0.21 0.00 0.00 178.00 178.63 1smy h SER 1049N -0.40 -0.06 0.00 -2.05 4.64 -2.01 -3.48 113.55 110.20 1smy h SER 1049Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1smy h SER 1049Cb 0.56 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1smy h SER 1049CO -0.37 -0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.17 1smy n GLY 1050N -1.02 0.54 3.51 -0.77 0.00 -1.18 -5.09 105.19 101.18 1smy n GLY 1050Ca -0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 0.56 -1.52 1.61 0.28 -1.26 -4.21 120.64 116.09 1smy n GLU 1051Ca 0.00 0.03 -0.37 0.00 -0.16 0.00 0.00 57.16 56.66 1smy n GLU 1051Cb 0.00 -2.44 0.06 0.00 1.43 0.00 0.00 31.44 30.50 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 7.67 3.33 -0.96 3.84 -2.24 -1.26 -2.40 114.28 122.26 1smy n THR 1052Ca 0.51 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 61.51 1smy n THR 1052Cb 0.27 -1.07 0.13 0.00 -2.10 0.00 0.00 70.33 67.56 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 -1.63 2.05 0.06 4.78 0.40 -0.93 -4.70 117.98 118.01 1smy s PHE 1053Ca 0.75 1.69 0.04 0.00 -0.60 0.00 0.00 56.93 58.81 1smy s PHE 1053Cb -0.39 -3.22 -0.24 0.00 0.51 0.00 0.00 43.02 39.68 1smy s PHE 1053CO 0.49 -2.36 1.08 1.49 0.70 0.00 0.00 175.22 176.61 1smy h GLU 1054N -1.52 0.09 -5.62 0.44 4.81 -1.91 -3.45 114.58 107.41 1smy h GLU 1054Ca -0.43 -0.16 -0.61 0.00 -0.13 0.00 0.00 59.36 58.03 1smy h GLU 1054Cb 1.25 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.61 1smy h GLU 1054CO 0.46 0.98 -0.34 0.08 -0.73 0.00 0.00 179.01 179.45 1smy s VAL 1055N -2.67 5.30 0.69 0.32 1.01 -1.26 -4.87 120.40 118.92 1smy s VAL 1055Ca -0.03 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1smy s VAL 1055Cb 0.09 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.97 1smy s VAL 1055CO 0.84 0.48 0.96 -2.84 0.00 0.00 0.00 175.10 174.54 1smy s PRO 1056N -0.20 1.94 -0.94 2.72 0.02 -1.26 -4.78 135.00 132.50 1smy s PRO 1056Ca 0.17 -0.79 -0.13 0.00 0.02 0.00 0.00 61.00 60.27 1smy s PRO 1056Cb -0.13 -2.30 0.23 0.00 0.02 0.00 0.00 34.50 32.31 1smy s PRO 1056CO 0.06 -1.28 0.94 0.08 -0.33 0.00 0.00 177.00 176.47 1smy s VAL 1057N -3.12 5.63 0.20 3.83 1.01 0.16 -4.91 120.40 123.21 1smy s VAL 1057Ca 0.63 -2.69 0.19 0.00 0.00 0.00 0.00 61.98 60.11 1smy s VAL 1057Cb -0.08 -4.56 0.19 0.00 0.00 0.00 0.00 36.38 31.93 1smy s VAL 1057CO 0.43 -1.15 1.52 0.03 0.00 0.00 0.00 175.10 175.93 1smy h ARG 1058N 7.50 0.00 -6.09 2.72 -0.00 -1.87 -3.37 114.38 113.28 1smy h ARG 1058Ca 0.15 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 59.10 1smy h ARG 1058Cb 0.98 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.93 1smy h ARG 1058CO 0.89 0.00 -0.45 -1.12 0.00 0.00 0.00 179.97 179.29 1smy s SER 1059N -3.77 6.34 0.36 7.04 0.01 -1.26 -4.88 113.70 117.54 1smy s SER 1059Ca -0.02 0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.50 1smy s SER 1059Cb 0.05 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.36 1smy s SER 1059CO 0.17 0.02 0.47 -0.94 0.41 0.00 0.00 173.24 173.38 1smy s SER 1060N -3.32 5.73 0.46 2.44 1.04 -1.25 -3.37 113.70 115.42 1smy s SER 1060Ca 0.35 -0.33 0.26 0.00 0.48 0.00 0.00 55.95 56.70 1smy s SER 1060Cb -0.11 -0.99 0.81 0.00 0.10 0.00 0.00 66.02 65.83 1smy s SER 1060CO 0.29 -0.53 1.77 -0.26 0.98 0.00 0.00 173.24 175.49 1smy h PHE 1061N 0.88 0.00 -0.64 5.02 0.04 -0.46 -2.90 116.94 118.88 1smy h PHE 1061Ca -0.44 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.30 1smy h PHE 1061Cb 1.26 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.38 1smy h PHE 1061CO 0.44 0.13 0.27 -0.09 -0.60 0.00 0.00 178.31 178.46 1smy h ARG 1062N 0.00 0.93 -6.12 1.51 1.12 -1.53 -3.43 114.38 106.86 1smy h ARG 1062Ca -0.00 -0.14 -0.55 0.00 -1.11 0.00 0.00 59.98 58.17 1smy h ARG 1062Cb 0.82 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.58 1smy h ARG 1062CO 0.02 0.75 -0.26 -2.00 -3.11 0.00 0.00 179.97 175.38 1smy s GLU 1063N -5.45 2.28 -0.41 0.20 2.56 -1.09 -5.03 118.70 111.75 1smy s GLU 1063Ca -0.11 -1.90 -0.27 0.00 0.00 0.00 0.00 54.97 52.69 1smy s GLU 1063Cb 0.16 -2.25 -0.03 0.00 2.00 0.00 0.00 34.13 34.01 1smy s GLU 1063CO 0.80 -0.66 2.01 0.20 -0.56 0.00 0.00 175.26 177.06 1smy s GLY 1064N -4.37 0.35 -1.00 -1.50 0.00 -1.26 -4.56 107.32 94.97 1smy s GLY 1064Ca 0.42 0.09 -0.24 0.00 0.00 0.00 0.00 44.72 44.99 1smy s GLY 1064CO 0.26 3.58 1.85 -2.27 0.00 0.00 0.00 173.10 176.52 1smy s LEU 1065N 8.76 3.24 0.93 0.66 2.96 -1.26 -4.89 118.68 129.07 1smy s LEU 1065Ca 0.84 -1.11 -0.18 0.00 -0.22 0.00 0.00 54.13 53.46 1smy s LEU 1065Cb -0.21 -2.57 -0.15 0.00 0.50 0.00 0.00 46.19 43.76 1smy s LEU 1065CO 0.29 -2.51 -0.93 0.35 -1.32 0.00 0.00 176.35 172.23 1smy n THR 1066N 7.61 0.00 0.00 3.68 -2.24 -1.26 -4.29 114.28 117.78 1smy n THR 1066Ca 0.40 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 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 -2.56 0.00 -0.00 2.28 0.31 -1.26 -1.40 118.33 115.70 1smy n VAL 1067Ca -0.02 1.25 -0.09 0.00 -0.01 0.00 0.00 64.34 65.47 1smy n VAL 1067Cb 0.57 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.67 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 -0.41 -0.96 7.52 5.85 -2.00 -2.17 115.31 123.13 1smy h LEU 1068Ca 0.00 0.08 0.30 0.00 0.84 0.00 0.00 57.88 59.10 1smy h LEU 1068Cb 0.00 0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.08 1smy h LEU 1068CO 0.00 -0.17 0.42 -0.33 -0.34 0.00 0.00 178.44 178.02 1smy h GLU 1069N -0.16 0.22 0.32 1.25 5.08 -1.82 0.25 114.58 119.72 1smy h GLU 1069Ca 0.09 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1smy h GLU 1069Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1smy h GLU 1069CO -0.23 0.15 -0.15 -0.92 -1.00 0.00 0.00 179.01 176.86 1smy h TYR 1070N 0.23 -0.40 -0.78 4.33 5.03 -0.60 -1.99 116.97 122.79 1smy h TYR 1070Ca 0.68 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 62.06 1smy h TYR 1070Cb 1.53 0.13 -0.07 0.00 1.55 0.00 0.00 36.73 39.87 1smy h TYR 1070CO -0.13 -0.18 0.44 0.35 -1.32 0.00 0.00 178.16 177.33 1smy h PHE 1071N -0.53 0.81 -0.54 -3.82 3.04 -0.24 0.19 116.94 115.84 1smy h PHE 1071Ca -0.04 0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.02 1smy h PHE 1071Cb 0.40 -0.25 -0.07 0.00 2.56 0.00 0.00 35.95 38.59 1smy h PHE 1071CO -0.03 0.34 0.14 0.82 -2.02 0.00 0.00 178.31 177.57 1smy h ILE 1072N 0.76 0.73 -0.79 1.41 1.08 -0.81 -0.76 117.51 119.14 1smy h ILE 1072Ca 0.37 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.71 1smy h ILE 1072Cb 0.31 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.44 1smy h ILE 1072CO -0.23 0.05 0.37 0.28 -0.69 0.00 0.00 178.15 177.93 1smy h SER 1073N 0.29 1.03 -0.32 1.72 0.02 -0.35 -2.76 113.55 113.17 1smy h SER 1073Ca 0.27 -0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 1smy h SER 1073Cb 0.36 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1smy h SER 1073CO -0.32 0.87 0.33 0.77 -1.14 0.00 0.00 176.83 177.34 1smy h SER 1074N 1.12 0.00 0.39 3.07 4.64 0.52 -2.94 113.55 120.36 1smy h SER 1074Ca 0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1smy h SER 1074Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1smy h SER 1074CO -0.03 0.00 -0.19 0.45 -0.87 0.00 0.00 176.83 176.19 1smy h HIS 1075N 0.00 -0.49 0.00 4.77 3.86 -1.38 -2.50 115.15 119.41 1smy h HIS 1075Ca 0.15 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1smy h HIS 1075Cb 0.81 0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1smy h HIS 1075CO 0.00 -0.30 0.03 0.41 0.86 0.00 0.00 177.93 178.93 1smy n GLY 1076N -1.18 -0.82 0.08 2.45 0.00 -1.14 -1.40 105.19 103.18 1smy n GLY 1076Ca -0.07 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1smy n GLY 1076CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy h ALA 1077N 1.92 0.09 0.02 4.61 0.00 -1.28 -2.86 119.26 121.75 1smy h ALA 1077Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1smy h ALA 1077Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1smy h ALA 1077CO 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.01 1smy h ARG 1078N -0.18 -0.02 -0.94 0.00 2.47 -1.01 -2.28 114.38 112.42 1smy h ARG 1078Ca 0.02 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.90 1smy h ARG 1078Cb 0.34 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.59 1smy h ARG 1078CO 0.00 0.05 0.60 1.57 0.56 0.00 0.00 179.97 182.75 1smy h LYS 1079N -0.08 0.68 -0.52 0.04 2.10 -1.60 0.88 116.57 118.07 1smy h LYS 1079Ca -0.00 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.54 1smy h LYS 1079Cb 0.08 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.23 1smy h LYS 1079CO 0.00 0.45 0.08 0.78 -2.00 0.00 0.00 179.45 178.77 1smy h GLY 1080N 0.70 0.94 1.54 0.07 0.00 -1.24 -0.95 103.07 104.14 1smy h GLY 1080Ca 0.49 -0.63 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 1smy h GLY 1080CO -0.25 0.58 -0.67 -1.33 0.00 0.00 0.00 176.54 174.87 1smy h GLY 1081N 0.75 0.51 2.00 4.60 0.00 -0.44 -2.59 103.07 107.90 1smy h GLY 1081Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1smy h GLY 1081CO 0.01 0.60 0.00 0.00 0.00 0.00 0.00 176.54 177.15 1smy h ALA 1082N 0.94 1.00 0.17 3.60 0.00 0.92 -1.30 119.26 124.58 1smy h ALA 1082Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1smy h ALA 1082Cb 1.23 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 1smy h ALA 1082CO 0.12 0.00 -1.39 -0.44 0.00 0.00 0.00 179.25 177.53 1smy h ASP 1083N 0.00 0.57 -0.23 0.00 5.19 -0.92 -3.20 116.42 117.83 1smy h ASP 1083Ca 0.00 -0.91 -0.08 0.00 -0.62 0.00 0.00 57.03 55.41 1smy h ASP 1083Cb 0.39 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 1smy h ASP 1083CO 0.00 1.64 -0.18 0.71 -3.12 0.00 0.00 179.24 178.29 1smy h THR 1084N -0.11 1.31 0.13 0.35 1.35 -1.17 -3.14 112.91 111.64 1smy h THR 1084Ca -0.27 -1.30 0.02 0.00 -0.55 0.00 0.00 66.41 64.30 1smy h THR 1084Cb 1.92 1.65 -0.04 0.00 -1.73 0.00 0.00 68.15 69.95 1smy h THR 1084CO 0.16 0.40 -0.31 0.00 -0.25 0.00 0.00 175.52 175.52 1smy h ALA 1085N 0.69 -0.54 0.00 6.62 0.00 -1.40 0.71 119.26 125.34 1smy h ALA 1085Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1smy h ALA 1085Cb 0.71 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1smy h ALA 1085CO 0.05 -0.86 0.02 1.28 0.00 0.00 0.00 179.25 179.74 1smy n LEU 1086N -5.41 0.00 -0.09 0.00 4.32 -1.21 -2.09 117.00 112.52 1smy n LEU 1086Ca -0.07 0.46 -0.15 0.00 -0.02 0.00 0.00 56.01 56.22 1smy n LEU 1086Cb 0.32 -0.46 -0.08 0.00 -1.62 0.00 0.00 43.42 41.59 1smy n LEU 1086CO 0.23 -0.46 -1.12 -1.14 -1.22 0.00 0.00 177.39 173.69 1smy n ARG 1087N -1.45 0.44 0.00 3.23 3.00 -0.20 -4.47 116.66 117.21 1smy n ARG 1087Ca 0.00 0.13 0.23 0.00 -0.00 0.00 0.00 57.85 58.21 1smy n ARG 1087Cb 0.02 -1.30 0.72 0.00 0.00 0.00 0.00 32.46 31.90 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 -0.24 0.43 0.00 5.15 2.02 0.92 -2.92 112.91 118.27 1smy h THR 1088Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1smy h THR 1088Cb 1.56 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1smy h THR 1088CO -0.14 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.75 1smy n ALA 1089N -2.45 0.00 -3.42 6.16 0.00 -1.05 -4.10 120.51 115.65 1smy n ALA 1089Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.11 1smy n ALA 1089Cb 0.75 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 20.24 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 -2.42 6.09 0.27 0.00 3.68 -1.10 -4.81 116.67 118.37 1smy s ASP 1090Ca 0.00 -2.07 0.12 0.00 2.13 0.00 0.00 52.55 52.72 1smy s ASP 1090Cb 0.00 -2.12 0.32 0.00 -1.45 0.00 0.00 42.92 39.67 1smy s ASP 1090CO 0.00 -0.72 1.58 0.28 0.13 0.00 0.00 175.17 176.44 1smy h SER 1091N 8.41 0.00 0.29 -0.34 0.02 -1.71 -2.99 113.55 117.23 1smy h SER 1091Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1smy h SER 1091Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1smy h SER 1091CO 0.91 0.62 -0.30 0.61 -1.14 0.00 0.00 176.83 177.53 1smy n GLY 1092N 0.47 -0.74 0.32 -3.77 0.00 -1.26 -4.48 105.19 95.73 1smy n GLY 1092Ca -0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 0.96 -1.32 0.78 1.61 5.03 -1.91 1.92 116.97 124.05 1smy h TYR 1093Ca 0.00 0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.35 1smy h TYR 1093Cb 0.50 0.64 0.01 0.00 1.55 0.00 0.00 36.73 39.43 1smy h TYR 1093CO 0.00 -0.32 -0.37 1.25 -1.32 0.00 0.00 178.16 177.39 1smy h LEU 1094N -0.16 -0.89 -1.97 2.82 5.85 -1.81 -2.86 115.31 116.30 1smy h LEU 1094Ca 0.08 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1smy h LEU 1094Cb 0.38 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1smy h LEU 1094CO -0.55 -0.58 0.44 0.74 -0.34 0.00 0.00 178.44 178.14 1smy h THR 1095N -1.15 0.34 0.32 1.05 2.02 -1.69 -2.09 112.91 111.70 1smy h THR 1095Ca -0.11 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1smy h THR 1095Cb 0.80 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1smy h THR 1095CO 0.18 0.00 -0.16 -0.09 0.37 0.00 0.00 175.52 175.82 1smy h ARG 1096N 0.00 -0.42 -0.85 6.66 9.65 0.33 -0.89 114.38 128.86 1smy h ARG 1096Ca 0.18 0.03 0.21 0.00 -1.10 0.00 0.00 59.98 59.29 1smy h ARG 1096Cb 1.05 0.10 -0.15 0.00 -1.39 0.00 0.00 29.97 29.58 1smy h ARG 1096CO -0.00 -0.28 0.03 0.87 2.80 0.00 0.00 179.97 183.38 1smy h LYS 1097N -0.44 0.08 -0.56 0.20 1.79 -1.29 0.30 116.57 116.65 1smy h LYS 1097Ca -0.04 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1smy h LYS 1097Cb 0.33 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 1smy h LYS 1097CO 0.07 0.06 0.17 -0.07 -1.08 0.00 0.00 179.45 178.60 1smy h LEU 1098N 0.09 0.78 -0.26 2.94 4.07 -1.40 -2.42 115.31 119.11 1smy h LEU 1098Ca 0.48 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 58.28 1smy h LEU 1098Cb 0.90 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 1smy h LEU 1098CO -0.75 0.75 -0.20 0.58 -1.08 0.00 0.00 178.44 177.74 1smy h VAL 1099N 0.82 0.36 0.00 1.22 2.07 0.99 -2.04 116.25 119.67 1smy h VAL 1099Ca 0.19 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1smy h VAL 1099Cb 0.25 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1smy h VAL 1099CO -0.01 0.19 0.00 0.44 0.02 0.00 0.00 177.57 178.21 1smy h ASP 1100N 0.00 0.00 0.00 0.57 3.32 -0.61 -2.67 116.42 117.03 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 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1smy h ASP 1100CO 0.03 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.07 1smy n VAL 1101N -2.73 0.94 0.00 -1.35 0.31 -1.07 -4.77 118.33 109.66 1smy n VAL 1101Ca 0.03 -0.97 0.00 0.00 -0.01 0.00 0.00 64.34 63.39 1smy n VAL 1101Cb 0.39 0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.85 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 -0.47 0.00 0.05 2.52 -1.04 -0.78 -4.85 114.28 109.71 1smy n THR 1102Ca 0.00 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.05 61.85 1smy n THR 1102Cb 0.24 0.54 -0.04 0.00 -1.82 0.00 0.00 70.33 69.24 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 -0.39 -0.56 -1.42 2.07 -1.70 -2.04 115.15 111.11 1smy h HIS 1103Ca 0.00 0.01 0.16 0.00 -2.85 0.00 0.00 60.37 57.70 1smy h HIS 1103Cb 0.00 0.18 -0.02 0.00 2.57 0.00 0.00 27.41 30.13 1smy h HIS 1103CO 0.00 -0.22 0.61 1.05 -3.07 0.00 0.00 177.93 176.29 1smy h GLU 1104N -0.25 0.00 -6.31 5.12 4.11 -1.90 -3.40 114.58 111.95 1smy h GLU 1104Ca 0.06 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.92 1smy h GLU 1104Cb 0.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1smy h GLU 1104CO -0.16 0.00 1.10 0.42 0.07 0.00 0.00 179.01 180.45 1smy s ILE 1105N -4.59 3.78 -0.01 -1.06 -1.09 -0.77 -4.69 121.20 112.77 1smy s ILE 1105Ca -0.04 0.87 -0.06 0.00 -2.23 0.00 0.00 60.65 59.19 1smy s ILE 1105Cb 0.16 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1smy s ILE 1105CO 0.54 -0.38 0.11 -0.69 -1.23 0.00 0.00 174.94 173.30 1smy s VAL 1106N 5.20 0.07 -0.08 2.92 1.01 -1.23 -2.08 120.40 126.20 1smy s VAL 1106Ca 0.68 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1smy s VAL 1106Cb -0.22 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1smy s VAL 1106CO 0.29 -0.30 1.39 -0.69 0.00 0.00 0.00 175.10 175.79 1smy s VAL 1107N -1.02 3.96 -0.32 2.92 1.01 -0.90 -3.38 120.40 122.67 1smy s VAL 1107Ca -0.11 1.23 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1smy s VAL 1107Cb -0.06 -3.79 0.19 0.00 0.00 0.00 0.00 36.38 32.72 1smy s VAL 1107CO 0.01 -0.07 0.62 0.00 0.00 0.00 0.00 175.10 175.66 1smy s ARG 1108N 3.20 0.60 0.00 2.72 1.70 -1.26 0.38 118.95 126.29 1smy s ARG 1108Ca 0.62 0.34 0.00 0.00 -0.47 0.00 0.00 55.73 56.22 1smy s ARG 1108Cb -0.27 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 1smy s ARG 1108CO 0.22 -1.04 0.00 -0.85 -1.08 0.00 0.00 175.30 172.55 1smy n GLU 1109N 5.16 0.00 -3.70 3.89 -0.00 -1.26 -4.81 120.64 119.92 1smy n GLU 1109Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.10 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 -1.00 -0.88 -0.79 -1.84 0.00 -1.26 -4.99 121.76 111.00 1smy s ALA 1110Ca 0.00 0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.90 1smy s ALA 1110Cb 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 23.12 23.30 1smy s ALA 1110CO 0.00 -0.45 2.42 -0.40 0.00 0.00 0.00 175.76 177.33 1smy n ASP 1111N 0.48 0.97 -4.66 0.00 3.85 -1.26 -4.69 116.55 111.23 1smy n ASP 1111Ca -0.18 -0.68 -0.50 0.00 -0.71 0.00 0.00 54.79 52.71 1smy n ASP 1111Cb 0.60 -1.26 -0.05 0.00 -1.35 0.00 0.00 41.12 39.06 1smy n ASP 1111CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1smy h GLY 1113N 9.41 0.93 -5.51 0.00 0.00 -2.02 -3.43 103.07 102.45 1smy h GLY 1113Ca -0.46 -0.25 -0.58 0.00 0.00 0.00 0.00 47.33 46.05 1smy h GLY 1113CO 0.96 0.11 1.13 -0.37 0.00 0.00 0.00 176.54 178.37 1smy n THR 1114N -4.51 0.60 -1.97 4.70 5.66 -1.26 -4.86 114.28 112.64 1smy n THR 1114Ca 0.14 -0.11 -0.33 0.00 -3.05 0.00 0.00 64.05 60.71 1smy n THR 1114Cb 0.44 -2.04 0.03 0.00 -1.55 0.00 0.00 70.33 67.21 1smy n THR 1114CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1smy n THR 1115N 5.16 3.10 -2.93 1.09 -2.24 -1.26 -4.85 114.28 112.35 1smy n THR 1115Ca 0.21 -4.19 -0.41 0.00 -2.27 0.00 0.00 64.05 57.39 1smy n THR 1115Cb 0.34 -1.22 -0.04 0.00 -2.10 0.00 0.00 70.33 67.31 1smy n THR 1115CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1smy s ASN 1116N -2.32 7.00 0.00 3.42 4.22 -1.26 -5.02 114.94 120.98 1smy s ASN 1116Ca 0.53 1.22 0.00 0.00 -2.14 0.00 0.00 52.86 52.47 1smy s ASN 1116Cb 0.44 -2.45 0.00 0.00 1.28 0.00 0.00 41.25 40.52 1smy s ASN 1116CO -0.20 -0.29 0.00 0.00 -2.04 0.00 0.00 177.10 174.57 1smy n TYR 1117N 4.63 0.00 -3.79 1.54 0.18 -1.26 -4.77 117.16 113.70 1smy n TYR 1117Ca 0.03 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.68 1smy n TYR 1117Cb 0.50 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.36 1smy n TYR 1117CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 1smy s ILE 1118N 1.12 0.04 -0.27 -3.48 1.10 -1.07 -4.99 121.20 113.66 1smy s ILE 1118Ca 0.00 -0.34 -0.05 0.00 -0.51 0.00 0.00 60.65 59.75 1smy s ILE 1118Cb 0.00 -0.50 0.01 0.00 0.15 0.00 0.00 42.46 42.12 1smy s ILE 1118CO 0.00 -0.19 0.02 -0.94 -2.11 0.00 0.00 174.94 171.73 1smy s SER 1119N -0.78 4.77 -0.13 4.50 1.04 -1.25 -0.89 113.70 120.95 1smy s SER 1119Ca -0.09 -0.65 -0.29 0.00 0.48 0.00 0.00 55.95 55.40 1smy s SER 1119Cb -0.04 -1.80 -0.01 0.00 0.10 0.00 0.00 66.02 64.26 1smy s SER 1119CO 0.02 -0.13 1.05 -0.69 0.98 0.00 0.00 173.24 174.47 1smy s VAL 1120N 1.46 4.68 0.78 5.02 1.01 -0.67 -4.62 120.40 128.07 1smy s VAL 1120Ca 0.03 1.97 -0.11 0.00 0.00 0.00 0.00 61.98 63.88 1smy s VAL 1120Cb -0.16 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.01 1smy s VAL 1120CO -0.00 -0.05 1.09 -2.84 0.00 0.00 0.00 175.10 173.30 1smy s PRO 1121N 2.39 2.16 0.00 2.72 0.02 -1.26 -2.10 135.00 138.93 1smy s PRO 1121Ca 0.48 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1smy s PRO 1121Cb -0.18 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.45 1smy s PRO 1121CO 0.15 -1.71 0.83 1.28 -0.33 0.00 0.00 177.00 177.22 1smy n LEU 1122N -3.56 1.45 -3.79 -5.54 4.32 -0.38 -4.94 117.00 104.56 1smy n LEU 1122Ca 0.09 -1.45 -0.13 0.00 -0.02 0.00 0.00 56.01 54.50 1smy n LEU 1122Cb 0.53 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.20 1smy n LEU 1122CO 0.53 0.36 -0.20 -0.36 -1.22 0.00 0.00 177.39 176.51 1smy s PHE 1123N -0.68 -0.19 0.16 -1.77 0.08 -1.26 -2.69 117.98 111.63 1smy s PHE 1123Ca 0.00 0.48 0.06 0.00 0.12 0.00 0.00 56.93 57.59 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 -0.12 0.04 1.14 -0.10 0.00 0.00 175.22 176.17 1smy s GLN 1124N 0.54 2.56 0.00 0.44 -2.07 0.27 -4.80 119.66 116.60 1smy s GLN 1124Ca -0.04 -1.00 0.00 0.00 -1.82 0.00 0.00 55.36 52.50 1smy s GLN 1124Cb -0.05 -2.46 0.00 0.00 -1.09 0.00 0.00 33.01 29.40 1smy s GLN 1124CO -0.03 0.47 0.00 -2.30 -1.32 0.00 0.00 175.29 172.12 1smy n PRO 1125N -0.09 0.00 -1.62 9.60 -0.02 -1.26 0.36 135.00 141.97 1smy n PRO 1125Ca -0.09 0.00 -0.50 0.00 -2.02 0.00 0.00 63.50 60.89 1smy n PRO 1125Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.97 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 2.15 0.00 2.55 -0.08 -1.22 -4.45 116.55 115.50 1smy n ASP 1126Ca 0.00 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 1smy n ASP 1126Cb 0.00 -1.28 0.00 0.00 2.34 0.00 0.00 41.12 42.18 1smy n ASP 1126CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1smy n GLU 1127N 2.79 0.00 -3.09 -0.67 0.00 -1.26 -4.92 120.64 113.49 1smy n GLU 1127Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 57.04 1smy n GLU 1127Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.62 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 0.00 3.29 0.00 6.31 0.31 -1.26 -5.06 118.33 121.93 1smy n VAL 1128Ca 0.00 -5.53 0.00 0.00 -0.01 0.00 0.00 64.34 58.80 1smy n VAL 1128Cb 0.00 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 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 0.28 0.00 -3.38 2.52 5.66 -1.26 -3.39 114.28 114.71 1smy n THR 1129Ca 0.32 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.87 1smy n THR 1129Cb 0.38 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.12 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 3.20 -0.35 1.09 6.06 -1.26 -3.37 118.95 124.33 1smy s ARG 1130Ca 0.00 -2.16 0.00 0.00 -2.50 0.00 0.00 55.73 51.07 1smy s ARG 1130Cb 0.00 -4.28 0.14 0.00 0.06 0.00 0.00 34.95 30.87 1smy s ARG 1130CO 0.00 -1.28 0.25 -1.12 -2.50 0.00 0.00 175.30 170.65 1smy s SER 1131N 2.54 2.46 0.00 -2.12 0.01 -1.22 -5.05 113.70 110.32 1smy s SER 1131Ca 0.12 -1.84 -0.33 0.00 1.31 0.00 0.00 55.95 55.21 1smy s SER 1131Cb -0.19 -0.07 -0.11 0.00 0.21 0.00 0.00 66.02 65.86 1smy s SER 1131CO -0.04 -0.31 1.86 0.18 0.41 0.00 0.00 173.24 175.34 1smy n LEU 1132N 4.31 3.65 -4.20 2.44 4.77 -1.26 -4.56 117.00 122.15 1smy n LEU 1132Ca 0.09 0.97 -0.18 0.00 -0.03 0.00 0.00 56.01 56.86 1smy n LEU 1132Cb 0.40 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 39.94 1smy n LEU 1132CO 0.11 0.01 -0.45 -0.60 -1.33 0.00 0.00 177.39 175.12 1smy s ARG 1133N 3.56 0.91 0.16 3.23 3.52 0.16 -4.99 118.95 125.50 1smy s ARG 1133Ca 0.89 -1.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.09 1smy s ARG 1133Cb -0.60 -0.84 -0.08 0.00 -1.56 0.00 0.00 34.95 31.88 1smy s ARG 1133CO 0.46 0.17 1.22 -1.17 -0.81 0.00 0.00 175.30 175.17 1smy s LEU 1134N -2.11 4.43 0.69 -0.88 0.20 -1.26 0.93 118.68 120.68 1smy s LEU 1134Ca 0.03 2.21 -0.17 0.00 0.69 0.00 0.00 54.13 56.90 1smy s LEU 1134Cb -0.07 -3.60 0.01 0.00 -0.43 0.00 0.00 46.19 42.10 1smy s LEU 1134CO 0.02 -0.42 1.18 0.54 -0.29 0.00 0.00 176.35 177.38 1smy n ARG 1135N 2.88 0.77 -1.15 1.98 1.74 -1.10 -4.67 116.66 117.12 1smy n ARG 1135Ca 0.06 0.32 -0.34 0.00 -0.77 0.00 0.00 57.85 57.12 1smy n ARG 1135Cb 0.45 -2.42 0.12 0.00 -1.02 0.00 0.00 32.46 29.59 1smy n ARG 1135CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1smy n LYS 1136N -2.10 0.24 0.00 5.56 5.02 -1.26 -4.86 118.16 120.76 1smy n LYS 1136Ca 0.15 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1smy n LYS 1136Cb 0.49 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1smy n LYS 1136CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1smy n ARG 1137N -2.89 0.00 -0.32 1.97 3.00 -1.26 -2.73 116.66 114.43 1smy n ARG 1137Ca 0.13 0.26 -0.00 0.00 -0.01 0.00 0.00 57.85 58.23 1smy n ARG 1137Cb 0.50 -0.82 0.06 0.00 0.00 0.00 0.00 32.46 32.20 1smy n ARG 1137CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1smy h ALA 1138N -2.30 0.26 -0.90 7.54 0.00 -1.99 -1.25 119.26 120.63 1smy h ALA 1138Ca 0.00 0.28 0.23 0.00 0.00 0.00 0.00 54.91 55.41 1smy h ALA 1138Cb 0.00 0.84 -0.16 0.00 0.00 0.00 0.00 17.79 18.47 1smy h ALA 1138CO 0.00 -0.56 0.01 -0.44 0.00 0.00 0.00 179.25 178.26 1smy h ASP 1139N -0.04 -0.44 0.03 0.00 5.19 -1.92 0.83 116.42 120.07 1smy h ASP 1139Ca 0.35 0.25 -0.00 0.00 -0.62 0.00 0.00 57.03 57.00 1smy h ASP 1139Cb 0.61 0.43 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1smy h ASP 1139CO -0.89 -0.27 -0.02 0.40 -3.12 0.00 0.00 179.24 175.34 1smy h ILE 1140N 0.06 0.99 -0.99 0.35 2.04 -1.03 -1.80 117.51 117.13 1smy h ILE 1140Ca 0.52 -0.07 0.16 0.00 1.00 0.00 0.00 64.86 66.46 1smy h ILE 1140Cb 0.99 1.04 -0.10 0.00 -0.74 0.00 0.00 36.82 38.01 1smy h ILE 1140CO -0.82 0.02 0.60 -0.33 0.00 0.00 0.00 178.15 177.62 1smy h GLU 1141N -0.08 0.81 0.00 2.37 5.08 0.54 0.47 114.58 123.78 1smy h GLU 1141Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1smy h GLU 1141Cb 0.06 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1smy h GLU 1141CO 0.01 0.54 0.00 0.00 -1.00 0.00 0.00 179.01 178.56 1smy n ALA 1142N -2.35 1.74 0.01 3.43 0.00 0.17 -1.12 120.51 122.40 1smy n ALA 1142Ca 0.21 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.80 1smy n ALA 1142Cb 0.48 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 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 0.17 -0.76 0.00 0.00 0.00 0.15 -0.77 105.19 103.98 1smy n GLY 1143Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.07 0.00 -4.59 0.99 4.77 -0.38 -4.93 117.00 110.79 1smy n LEU 1144Ca -0.03 0.00 -0.58 0.00 -0.03 0.00 0.00 56.01 55.37 1smy n LEU 1144Cb 0.43 0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1smy n LEU 1144CO 0.35 0.01 0.85 0.00 -1.33 0.00 0.00 177.39 177.28 1smy n TYR 1145N -1.74 1.25 -3.91 -1.77 -0.00 -0.27 -1.84 117.16 108.88 1smy n TYR 1145Ca -0.01 0.88 -0.29 0.00 -0.00 0.00 0.00 57.90 58.48 1smy n TYR 1145Cb 0.23 -2.23 -0.00 0.00 -0.00 0.00 0.00 39.34 37.34 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 2.52 -0.49 1.21 2.98 0.00 -0.39 -4.73 105.19 106.29 1smy n GLY 1146Ca 0.22 0.25 -0.07 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.41 1.07 -3.95 1.61 5.12 -0.77 -0.03 116.66 115.30 1smy n ARG 1147Ca -0.23 -1.04 -0.29 0.00 -1.93 0.00 0.00 57.85 54.36 1smy n ARG 1147Cb 0.65 0.03 -0.16 0.00 -1.16 0.00 0.00 32.46 31.81 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 -0.52 1.37 -0.13 1.55 1.01 -1.26 -1.78 120.40 120.64 1smy s VAL 1148Ca 0.14 -0.72 -0.34 0.00 0.00 0.00 0.00 61.98 61.06 1smy s VAL 1148Cb -0.01 -1.44 -0.11 0.00 0.00 0.00 0.00 36.38 34.82 1smy s VAL 1148CO 0.09 0.23 1.94 0.18 0.00 0.00 0.00 175.10 177.54 1smy n LEU 1149N 4.80 3.29 -0.18 3.92 4.77 -0.88 -0.85 117.00 131.87 1smy n LEU 1149Ca -0.14 0.86 -0.05 0.00 -0.03 0.00 0.00 56.01 56.66 1smy n LEU 1149Cb 0.48 -1.37 0.13 0.00 -2.33 0.00 0.00 43.42 40.33 1smy n LEU 1149CO 0.19 -0.17 0.95 0.00 -1.33 0.00 0.00 177.39 177.02 1smy h ALA 1150N 9.94 1.09 -2.62 -1.18 0.00 -1.38 0.99 119.26 126.10 1smy h ALA 1150Ca -0.46 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.09 1smy h ALA 1150Cb 1.28 -0.24 -0.18 0.00 0.00 0.00 0.00 17.79 18.65 1smy h ALA 1150CO 0.96 0.60 -0.57 1.03 0.00 0.00 0.00 179.25 181.27 1smy s ARG 1151N -5.22 0.54 0.89 0.00 0.52 -1.25 -4.72 118.95 109.71 1smy s ARG 1151Ca -0.11 -0.78 -0.10 0.00 -0.52 0.00 0.00 55.73 54.22 1smy s ARG 1151Cb 0.15 0.21 0.13 0.00 0.52 0.00 0.00 34.95 35.96 1smy s ARG 1151CO 0.82 -0.13 1.15 -1.83 0.02 0.00 0.00 175.30 175.33 1smy s GLU 1152N -2.55 1.21 -0.21 3.54 -1.05 -1.26 -4.63 118.70 113.75 1smy s GLU 1152Ca -0.06 1.53 -0.04 0.00 -0.15 0.00 0.00 54.97 56.25 1smy s GLU 1152Cb -0.02 -1.75 0.11 0.00 -0.44 0.00 0.00 34.13 32.03 1smy s GLU 1152CO -0.04 -2.49 0.33 0.08 0.95 0.00 0.00 175.26 174.09 1smy s VAL 1153N -2.63 -0.52 -0.28 1.83 1.01 -1.01 -4.92 120.40 113.87 1smy s VAL 1153Ca 0.67 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 1smy s VAL 1153Cb -0.23 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1smy s VAL 1153CO 0.57 -0.08 0.86 -1.61 0.00 0.00 0.00 175.10 174.84 1smy s GLU 1154N 2.49 4.07 0.00 2.72 2.02 -1.26 -2.38 118.70 126.36 1smy s GLU 1154Ca 0.08 0.82 0.00 0.00 0.02 0.00 0.00 54.97 55.89 1smy s GLU 1154Cb -0.15 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.39 1smy s GLU 1154CO -0.13 -0.65 0.00 0.28 0.02 0.00 0.00 175.26 174.77 1smy n VAL 1155N 5.47 0.00 0.57 2.63 0.31 -1.01 -4.92 118.33 121.39 1smy n VAL 1155Ca 0.06 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.46 1smy n VAL 1155Cb 0.48 0.00 0.32 0.00 -0.91 0.00 0.00 33.84 33.73 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 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1smy n LEU 1156Cb 0.00 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1smy n LEU 1156CO 0.00 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 1smy n GLY 1157N -0.11 0.28 3.94 -0.72 0.00 -1.26 -5.14 105.19 102.19 1smy n GLY 1157Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1smy n GLY 1157CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 1158N 0.00 5.02 -0.52 1.61 1.01 -1.26 -5.07 120.40 121.19 1smy s VAL 1158Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1smy s VAL 1158Cb 0.00 -3.84 0.14 0.00 0.00 0.00 0.00 36.38 32.68 1smy s VAL 1158CO 0.00 -0.56 0.30 -0.13 0.00 0.00 0.00 175.10 174.71 1smy s ARG 1159N -4.36 2.17 -0.95 2.72 0.52 -1.26 -2.40 118.95 115.40 1smy s ARG 1159Ca 0.41 -2.35 -0.24 0.00 -0.52 0.00 0.00 55.73 53.03 1smy s ARG 1159Cb -0.10 -3.53 -0.06 0.00 0.52 0.00 0.00 34.95 31.78 1smy s ARG 1159CO 0.37 -1.11 1.96 -0.51 0.02 0.00 0.00 175.30 176.03 1smy s LEU 1160N 0.22 3.13 0.43 2.53 2.01 -1.00 -4.92 118.68 121.07 1smy s LEU 1160Ca 0.15 -0.83 -0.23 0.00 0.01 0.00 0.00 54.13 53.23 1smy s LEU 1160Cb -0.22 -2.57 -0.12 0.00 0.01 0.00 0.00 46.19 43.30 1smy s LEU 1160CO -0.03 -2.86 0.64 -1.84 1.01 0.00 0.00 176.35 173.27 1smy n GLU 1161N 8.75 0.71 -1.61 1.70 0.00 -1.26 -2.41 120.64 126.52 1smy n GLU 1161Ca 0.41 0.26 -0.37 0.00 0.00 0.00 0.00 57.16 57.47 1smy n GLU 1161Cb 0.47 -1.63 0.07 0.00 0.00 0.00 0.00 31.44 30.35 1smy n GLU 1161CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1smy n GLU 1162N 0.44 0.91 0.00 3.44 2.13 -1.26 -2.53 120.64 123.76 1smy n GLU 1162Ca 0.11 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1smy n GLU 1162Cb 0.40 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.71 1smy n GLU 1162CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1smy n GLY 1163N 1.02 2.12 3.73 8.31 0.00 0.34 -4.93 105.19 115.78 1smy n GLY 1163Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 2.11 -0.32 1.61 3.00 -1.05 -4.47 118.95 119.82 1smy s ARG 1164Ca 0.00 1.64 -0.15 0.00 -1.00 0.00 0.00 55.73 56.22 1smy s ARG 1164Cb 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 34.95 33.09 1smy s ARG 1164CO 0.00 -1.84 0.37 0.71 0.00 0.00 0.00 175.30 174.55 1smy s TYR 1165N -2.17 3.21 -0.17 5.12 1.51 -1.26 -2.07 117.35 121.53 1smy s TYR 1165Ca 0.71 0.10 -0.29 0.00 -1.01 0.00 0.00 57.07 56.58 1smy s TYR 1165Cb -0.26 -2.67 -0.01 0.00 -0.11 0.00 0.00 41.96 38.91 1smy s TYR 1165CO 0.47 -0.39 1.22 -0.48 -1.11 0.00 0.00 175.55 175.26 1smy s LEU 1166N 2.06 4.17 0.71 -1.29 2.34 -0.73 -4.89 118.68 121.06 1smy s LEU 1166Ca 0.13 1.64 -0.11 0.00 0.06 0.00 0.00 54.13 55.85 1smy s LEU 1166Cb -0.16 -3.54 0.02 0.00 -0.56 0.00 0.00 46.19 41.95 1smy s LEU 1166CO 0.11 -0.73 1.08 -0.94 -1.06 0.00 0.00 176.35 174.82 1smy s SER 1167N 1.80 5.34 0.44 1.48 1.04 -1.26 -1.26 113.70 121.27 1smy s SER 1167Ca 0.53 1.28 0.17 0.00 0.48 0.00 0.00 55.95 58.41 1smy s SER 1167Cb -0.21 -2.11 1.09 0.00 0.10 0.00 0.00 66.02 64.89 1smy s SER 1167CO 0.14 -1.43 1.92 -0.03 0.98 0.00 0.00 173.24 174.82 1smy h MET 1168N -0.71 0.36 -0.67 4.02 4.05 -1.96 0.81 114.93 120.83 1smy h MET 1168Ca -0.45 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1smy h MET 1168Cb 1.24 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.93 1smy h MET 1168CO 0.62 0.24 0.42 0.22 0.23 0.00 0.00 176.91 178.63 1smy h ASP 1169N 0.37 0.78 -0.10 1.39 1.82 -1.99 -0.22 116.42 118.47 1smy h ASP 1169Ca 0.37 -0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.88 1smy h ASP 1169Cb 0.92 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1smy h ASP 1169CO -0.11 0.59 -0.31 0.44 -1.61 0.00 0.00 179.24 178.24 1smy h ASP 1170N 0.91 0.45 0.17 2.28 3.32 0.23 -1.61 116.42 122.17 1smy h ASP 1170Ca 0.24 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1smy h ASP 1170Cb -0.06 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1smy h ASP 1170CO -0.05 0.98 0.00 0.58 -1.72 0.00 0.00 179.24 179.03 1smy h VAL 1171N -0.04 0.00 0.08 -1.35 2.07 -0.50 0.82 116.25 117.32 1smy h VAL 1171Ca -0.01 -0.08 -0.29 0.00 0.82 0.00 0.00 66.70 67.14 1smy h VAL 1171Cb 0.93 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1smy h VAL 1171CO 0.07 0.00 -1.51 0.45 0.02 0.00 0.00 177.57 176.59 1smy h HIS 1172N 0.00 0.29 -0.36 1.57 3.86 -0.77 -2.96 115.15 116.77 1smy h HIS 1172Ca 0.00 -0.21 -0.08 0.00 -1.16 0.00 0.00 60.37 58.92 1smy h HIS 1172Cb 0.09 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1smy h HIS 1172CO 0.00 1.27 -0.08 1.25 0.86 0.00 0.00 177.93 181.23 1smy h LEU 1173N 0.04 0.70 -0.37 2.43 5.85 0.10 -2.72 115.31 121.33 1smy h LEU 1173Ca -0.23 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 1smy h LEU 1173Cb 1.98 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.80 1smy h LEU 1173CO 0.14 0.89 0.12 -0.07 -0.34 0.00 0.00 178.44 179.18 1smy h LEU 1174N 0.50 0.54 -1.30 2.25 3.38 -1.30 -0.66 115.31 118.72 1smy h LEU 1174Ca 0.09 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1smy h LEU 1174Cb 0.58 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1smy h LEU 1174CO 0.03 0.60 0.52 0.40 0.09 0.00 0.00 178.44 180.09 1smy h ILE 1175N 0.46 1.02 -0.33 1.22 2.04 -1.52 0.11 117.51 120.51 1smy h ILE 1175Ca 0.12 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 1smy h ILE 1175Cb 0.25 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1smy h ILE 1175CO -0.00 0.15 -0.17 0.50 0.00 0.00 0.00 178.15 178.63 1smy h LYS 1176N 0.84 0.60 -0.06 2.37 3.64 -1.08 -1.38 116.57 121.50 1smy h LYS 1176Ca 0.34 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1smy h LYS 1176Cb 0.27 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1smy h LYS 1176CO -0.12 0.75 -0.00 0.00 -2.27 0.00 0.00 179.45 177.80 1smy h ALA 1177N 1.27 0.09 -0.07 5.00 0.00 0.54 -1.99 119.26 124.10 1smy h ALA 1177Ca 0.09 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1smy h ALA 1177Cb 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1smy h ALA 1177CO 0.04 -0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.12 1smy h ALA 1178N 0.71 1.82 -0.47 0.00 0.00 -0.70 0.53 119.26 121.14 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 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1smy h ALA 1178CO 0.00 -0.09 -0.20 0.93 0.00 0.00 0.00 179.25 179.89 1smy h GLU 1179N 0.00 0.96 -0.03 0.00 5.08 -0.78 -2.67 114.58 117.14 1smy h GLU 1179Ca 0.03 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.81 1smy h GLU 1179Cb 0.15 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1smy h GLU 1179CO -0.00 1.06 -0.78 0.00 -1.00 0.00 0.00 179.01 178.30 1smy h ALA 1180N 0.93 0.62 0.00 3.43 0.00 0.04 -3.49 119.26 120.79 1smy h ALA 1180Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1smy h ALA 1180Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1smy h ALA 1180CO 0.06 0.83 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1smy n GLY 1181N 0.65 0.79 0.00 0.00 0.00 0.16 -5.07 105.19 101.71 1smy n GLY 1181Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 4.26 -3.87 1.61 1.02 -1.18 -4.99 120.64 117.49 1smy n GLU 1182Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1smy n GLU 1182Cb 0.00 -0.57 -0.09 0.00 -0.02 0.00 0.00 31.44 30.76 1smy n GLU 1182CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1smy s ILE 1183N -0.46 0.11 0.00 -3.67 -5.25 -1.26 -5.01 121.20 105.65 1smy s ILE 1183Ca 0.00 -0.93 0.00 0.00 -0.99 0.00 0.00 60.65 58.73 1smy s ILE 1183Cb 0.00 -0.87 0.00 0.00 2.95 0.00 0.00 42.46 44.54 1smy s ILE 1183CO 0.00 -0.51 0.00 0.00 -1.79 0.00 0.00 174.94 172.64 1smy n GLN 1184N 0.77 2.50 -4.50 0.37 6.02 -1.26 -4.58 117.38 116.71 1smy n GLN 1184Ca -0.19 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.56 1smy n GLN 1184Cb 0.58 -0.71 -0.09 0.00 1.02 0.00 0.00 30.24 31.04 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 -1.16 1.82 -0.17 -1.09 2.02 -1.26 -1.25 118.70 117.61 1smy s GLU 1185Ca 0.00 -2.07 -0.04 0.00 0.02 0.00 0.00 54.97 52.88 1smy s GLU 1185Cb 0.00 -0.82 0.08 0.00 0.10 0.00 0.00 34.13 33.49 1smy s GLU 1185CO 0.00 -0.32 0.25 0.08 0.02 0.00 0.00 175.26 175.29 1smy s VAL 1186N -3.22 -0.39 -0.25 2.63 1.01 -0.89 -4.87 120.40 114.42 1smy s VAL 1186Ca 0.29 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1smy s VAL 1186Cb 0.06 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1smy s VAL 1186CO 0.14 -0.03 1.48 -2.16 0.00 0.00 0.00 175.10 174.53 1smy s PRO 1187N 2.39 3.86 -0.11 2.72 0.04 -1.26 -1.66 135.00 140.98 1smy s PRO 1187Ca 0.05 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 62.49 1smy s PRO 1187Cb -0.14 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.47 1smy s PRO 1187CO -0.10 -1.20 0.30 0.54 0.04 0.00 0.00 177.00 176.57 1smy s VAL 1188N 4.79 -0.01 0.91 -0.36 0.11 -0.07 -1.04 120.40 124.73 1smy s VAL 1188Ca 0.65 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.61 1smy s VAL 1188Cb -0.22 -0.43 0.10 0.00 -1.53 0.00 0.00 36.38 34.31 1smy s VAL 1188CO 0.26 0.01 0.92 0.54 -3.33 0.00 0.00 175.10 173.50 1smy n ARG 1189N 3.23 -0.31 -3.61 1.54 5.12 -0.03 -2.60 116.66 120.00 1smy n ARG 1189Ca -0.16 -0.03 -0.03 0.00 -1.93 0.00 0.00 57.85 55.70 1smy n ARG 1189Cb 0.57 -2.22 -0.02 0.00 -1.16 0.00 0.00 32.46 29.64 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 -2.35 -0.11 0.52 0.55 0.15 -1.18 -4.62 113.70 106.66 1smy s SER 1190Ca 0.65 -0.02 0.26 0.00 0.70 0.00 0.00 55.95 57.54 1smy s SER 1190Cb -0.24 0.12 1.45 0.00 -1.71 0.00 0.00 66.02 65.65 1smy s SER 1190CO 0.60 -0.21 2.09 -0.65 1.20 0.00 0.00 173.24 176.27 1smy h PRO 1191N 2.00 0.00 0.00 5.44 0.11 -1.89 -2.73 132.00 134.92 1smy h PRO 1191Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 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 0.23 0.11 0.00 1.28 -0.21 0.00 0.00 178.00 179.41 1smy n LEU 1192N -3.78 0.00 -1.05 2.35 4.77 -1.26 -2.84 117.00 115.19 1smy n LEU 1192Ca -0.02 0.08 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1smy n LEU 1192Cb 0.21 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1smy n LEU 1192CO 0.30 -0.04 0.15 0.35 -1.33 0.00 0.00 177.39 176.82 1smy n THR 1193N -1.08 0.00 -1.92 -5.08 -2.24 -1.03 -5.02 114.28 97.91 1smy n THR 1193Ca 0.10 -0.54 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 1smy n THR 1193Cb 0.07 0.76 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 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 -2.08 0.70 -1.52 0.00 7.27 -1.26 -4.85 117.38 115.64 1smy n GLN 1195Ca 0.11 0.20 -0.44 0.00 0.07 0.00 0.00 57.00 56.93 1smy n GLN 1195Cb 0.52 -1.62 -0.05 0.00 2.41 0.00 0.00 30.24 31.49 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 -3.31 0.15 0.00 1.69 -1.04 -1.26 -4.90 114.28 105.61 1smy n THR 1196Ca -0.37 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.20 1smy n THR 1196Cb 1.03 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 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 8.60 0.00 0.00 -2.82 3.00 -1.26 -2.56 116.66 121.62 1smy n ARG 1197Ca 0.39 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 1smy n ARG 1197Cb 0.36 -0.53 0.00 0.00 0.00 0.00 0.00 32.46 32.29 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 -0.05 0.00 -4.29 -0.14 4.02 -1.26 -4.76 117.16 110.68 1smy n TYR 1198Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 1smy n TYR 1198Cb 0.00 -0.05 -0.05 0.00 -0.02 0.00 0.00 39.34 39.22 1smy n TYR 1198CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1smy n GLY 1199N 0.17 3.38 3.13 2.72 0.00 -1.06 -3.51 105.19 110.01 1smy n GLY 1199Ca 0.00 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.77 -0.57 1.06 1.61 1.01 -1.22 -4.56 120.40 114.97 1smy s VAL 1200Ca 0.21 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 1smy s VAL 1200Cb 0.01 -0.62 0.26 0.00 0.00 0.00 0.00 36.38 36.03 1smy s VAL 1200CO 0.15 0.05 1.03 0.00 0.00 0.00 0.00 175.10 176.33 1smy n GLN 1202N -4.31 0.00 -0.34 0.00 6.02 -1.26 -2.96 117.38 114.52 1smy n GLN 1202Ca 0.14 0.39 0.26 0.00 -0.01 0.00 0.00 57.00 57.77 1smy n GLN 1202Cb 0.53 -1.38 0.54 0.00 1.02 0.00 0.00 30.24 30.95 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 0.31 -0.05 -1.09 1.57 -1.93 0.61 116.57 116.00 1smy h LYS 1203Ca 0.00 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1smy h LYS 1203Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1smy h LYS 1203CO 0.00 0.21 -0.62 0.00 -0.57 0.00 0.00 179.45 178.47 1smy n TYR 1205N -3.85 0.00 0.00 0.00 9.36 0.17 -3.11 117.16 119.73 1smy n TYR 1205Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1smy n TYR 1205Cb 0.62 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 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 1.65 0.02 0.00 2.98 0.00 -0.98 -4.78 105.19 104.07 1smy n GLY 1206Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.86 1.61 -0.00 0.95 -2.21 117.16 116.65 1smy n TYR 1207Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1smy n TYR 1207Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.21 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 -0.53 -0.85 -1.81 2.98 -0.08 -1.25 -1.24 116.55 113.77 1smy n ASP 1208Ca 0.00 -0.32 0.00 0.00 -1.51 0.00 0.00 54.79 52.96 1smy n ASP 1208Cb 0.00 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1smy n ASP 1208CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1smy n LEU 1209N 3.16 0.00 0.13 -2.67 7.94 -1.26 -4.87 117.00 119.43 1smy n LEU 1209Ca 0.39 0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.47 1smy n LEU 1209Cb 0.08 0.00 0.77 0.00 0.53 0.00 0.00 43.42 44.80 1smy n LEU 1209CO 0.63 -0.43 1.16 -1.28 -1.11 0.00 0.00 177.39 176.36 1smy h SER 1210N 0.00 0.00 -0.85 1.96 0.87 -1.92 -3.40 113.55 110.21 1smy h SER 1210Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1smy h SER 1210Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1smy h SER 1210CO 0.00 0.00 0.00 0.23 -0.53 0.00 0.00 176.83 176.53 1smy n MET 1211N -3.91 0.48 0.00 2.24 2.81 -1.26 -3.96 117.12 113.52 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 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.97 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 2.08 -1.00 3.04 0.00 -1.26 -4.54 120.51 115.83 1smy n ALA 1212Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 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 -0.60 0.46 -1.78 0.00 1.85 -1.26 -4.59 116.66 110.75 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 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.47 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 -1.32 2.70 0.30 2.89 0.02 -1.26 -3.77 135.00 134.57 1smy s PRO 1214Ca 0.00 0.55 -0.30 0.00 0.02 0.00 0.00 61.00 61.27 1smy s PRO 1214Cb 0.00 -2.00 -0.12 0.00 0.02 0.00 0.00 34.50 32.40 1smy s PRO 1214CO 0.00 -1.16 1.47 1.55 -0.33 0.00 0.00 177.00 178.52 1smy n VAL 1215N -3.11 1.30 -3.41 3.83 3.14 -0.37 -4.74 118.33 114.98 1smy n VAL 1215Ca 0.07 -0.33 -0.36 0.00 -2.96 0.00 0.00 64.34 60.76 1smy n VAL 1215Cb 0.57 -1.74 -0.06 0.00 -1.06 0.00 0.00 33.84 31.55 1smy n VAL 1215CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1smy s SER 1216N 0.20 6.84 0.55 6.55 0.01 -1.26 -4.97 113.70 121.62 1smy s SER 1216Ca 0.62 1.04 -0.22 0.00 1.31 0.00 0.00 55.95 58.71 1smy s SER 1216Cb -0.56 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.35 1smy s SER 1216CO 0.53 0.19 1.32 -0.38 0.41 0.00 0.00 173.24 175.31 1smy n ILE 1217N 1.20 3.78 -1.34 1.44 -0.00 -1.26 -3.46 119.36 119.72 1smy n ILE 1217Ca -0.08 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.17 1smy n ILE 1217Cb 0.52 -1.61 0.00 0.00 -0.00 0.00 0.00 39.64 38.55 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 0.81 0.48 3.87 7.39 0.00 0.16 -5.00 105.19 112.90 1smy n GLY 1218Ca 0.11 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.72 3.61 -1.40 1.61 2.12 -1.22 -4.03 118.70 116.66 1smy s GLU 1219Ca 0.00 0.03 -0.09 0.00 0.36 0.00 0.00 54.97 55.27 1smy s GLU 1219Cb 0.00 -3.17 -0.09 0.00 0.26 0.00 0.00 34.13 31.14 1smy s GLU 1219CO 0.00 0.72 2.77 0.00 -0.54 0.00 0.00 175.26 178.21 1smy n ALA 1220N 1.69 6.83 -0.32 6.30 0.00 -1.26 -2.12 120.51 131.62 1smy n ALA 1220Ca -0.16 -3.09 0.17 0.00 0.00 0.00 0.00 53.44 50.35 1smy n ALA 1220Cb 0.54 -3.25 0.36 0.00 0.00 0.00 0.00 19.45 17.10 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 3.08 0.46 -0.66 0.00 2.07 -1.94 -1.67 116.25 117.59 1smy h VAL 1221Ca 0.76 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 68.20 1smy h VAL 1221Cb 0.28 -0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 29.94 1smy h VAL 1221CO 1.66 0.08 -0.55 1.23 0.02 0.00 0.00 177.57 180.01 1smy h GLY 1222N 0.44 -0.99 0.63 2.17 0.00 -1.58 0.19 103.07 103.93 1smy h GLY 1222Ca 0.62 0.77 -0.00 0.00 0.00 0.00 0.00 47.33 48.71 1smy h GLY 1222CO -0.53 -0.07 -0.04 -2.22 0.00 0.00 0.00 176.54 173.67 1smy h ILE 1223N -0.20 1.13 -1.37 2.60 5.03 -1.52 -2.62 117.51 120.55 1smy h ILE 1223Ca 0.11 -0.81 0.40 0.00 -0.12 0.00 0.00 64.86 64.44 1smy h ILE 1223Cb 0.49 1.64 -0.07 0.00 -3.03 0.00 0.00 36.82 35.85 1smy h ILE 1223CO -0.73 0.20 0.97 0.58 -0.68 0.00 0.00 178.15 178.49 1smy h VAL 1224N -0.49 0.30 0.12 1.67 2.07 -0.85 0.15 116.25 119.23 1smy h VAL 1224Ca -0.01 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1smy h VAL 1224Cb 0.41 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1smy h VAL 1224CO 0.02 0.01 -0.06 0.00 0.02 0.00 0.00 177.57 177.56 1smy h ALA 1225N 1.35 -0.21 -1.17 1.67 0.00 -0.52 -2.91 119.26 117.48 1smy h ALA 1225Ca 0.68 -0.04 0.34 0.00 0.00 0.00 0.00 54.91 55.88 1smy h ALA 1225Cb 2.57 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 20.33 1smy h ALA 1225CO -0.07 -0.20 0.77 0.00 0.00 0.00 0.00 179.25 179.75 1smy h ALA 1226N -1.31 2.55 0.46 0.00 0.00 -0.80 -1.91 119.26 118.24 1smy h ALA 1226Ca -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1smy h ALA 1226Cb 0.13 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1smy h ALA 1226CO 0.03 -1.01 -0.22 1.96 0.00 0.00 0.00 179.25 180.00 1smy h GLN 1227N 0.23 -0.59 -0.07 0.00 4.20 -0.87 -1.96 115.11 116.05 1smy h GLN 1227Ca 0.67 0.04 0.02 0.00 0.06 0.00 0.00 58.65 59.44 1smy h GLN 1227Cb 1.99 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.90 1smy h GLN 1227CO -0.29 -0.34 0.53 0.77 -0.67 0.00 0.00 178.83 178.83 1smy h SER 1228N -1.12 0.00 0.00 1.46 0.02 -1.15 1.12 113.55 113.89 1smy h SER 1228Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1smy h SER 1228Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1smy h SER 1228CO 0.10 0.00 -1.92 -0.38 -1.14 0.00 0.00 176.83 173.49 1smy n ILE 1229N -2.89 0.00 0.14 3.27 5.41 -0.97 -4.39 119.36 119.93 1smy n ILE 1229Ca 0.00 -0.46 -0.23 0.00 1.00 0.00 0.00 62.75 63.06 1smy n ILE 1229Cb 0.59 0.07 -0.15 0.00 -0.71 0.00 0.00 39.64 39.43 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 3.96 0.58 1.01 7.39 0.00 0.21 -3.29 103.07 112.94 1smy h GLY 1230Ca 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 47.33 45.81 1smy h GLY 1230CO 0.00 1.29 -0.48 -2.09 0.00 0.00 0.00 176.54 175.26 1smy h GLU 1231N 0.14 -1.29 -0.87 4.80 4.22 -1.56 -2.76 114.58 117.27 1smy h GLU 1231Ca -0.24 0.09 0.25 0.00 0.08 0.00 0.00 59.36 59.54 1smy h GLU 1231Cb 2.13 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 31.64 1smy h GLU 1231CO 0.27 -0.86 0.64 -1.35 -2.18 0.00 0.00 179.01 175.53 1smy h PRO 1232N -1.34 0.00 -1.10 0.92 0.11 -1.77 -1.86 132.00 126.97 1smy h PRO 1232Ca -0.14 0.00 0.30 0.00 0.11 0.00 0.00 66.00 66.27 1smy h PRO 1232Cb 1.02 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.04 1smy h PRO 1232CO 0.22 0.00 0.72 0.78 -0.21 0.00 0.00 178.00 179.52 1smy h GLY 1233N 0.00 0.99 2.00 -0.55 0.00 -1.55 0.15 103.07 104.10 1smy h GLY 1233Ca 0.41 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 1smy h GLY 1233CO -0.00 -0.14 -0.02 -0.91 0.00 0.00 0.00 176.54 175.46 1smy h THR 1234N 0.28 0.20 0.00 4.70 1.35 -1.46 -2.56 112.91 115.42 1smy h THR 1234Ca 0.61 -0.18 -0.04 0.00 -0.55 0.00 0.00 66.41 66.25 1smy h THR 1234Cb 1.77 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 1smy h THR 1234CO -0.25 0.02 -0.63 1.56 -0.25 0.00 0.00 175.52 175.97 1smy h GLN 1235N 0.00 0.00 -7.33 4.72 4.20 -0.92 -3.47 115.11 112.31 1smy h GLN 1235Ca -0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1smy h GLN 1235Cb 0.14 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.08 1smy h GLN 1235CO 0.00 0.11 0.22 -0.51 -0.67 0.00 0.00 178.83 177.99 1smy s LEU 1236N -5.87 1.99 0.38 1.46 1.43 -0.96 -5.04 118.68 112.07 1smy s LEU 1236Ca 0.02 1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 1smy s LEU 1236Cb 0.08 -3.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.50 1smy s LEU 1236CO 0.74 -2.88 0.76 -0.89 0.23 0.00 0.00 176.35 174.32 1smy s THR 1237N -2.92 4.75 -0.41 5.49 2.01 -1.26 -4.76 115.64 118.54 1smy s THR 1237Ca 0.64 0.72 0.02 0.00 0.31 0.00 0.00 61.69 63.39 1smy s THR 1237Cb -0.19 -3.69 0.15 0.00 0.01 0.00 0.00 72.50 68.78 1smy s THR 1237CO 0.57 -0.42 0.28 -0.32 -0.69 0.00 0.00 174.62 174.05 1smy s MET 1238N -3.58 0.94 -0.17 4.92 1.75 -1.26 -2.32 119.30 119.57 1smy s MET 1238Ca 0.52 -1.86 -0.15 0.00 -1.25 0.00 0.00 55.69 52.95 1smy s MET 1238Cb -0.10 -1.67 -0.10 0.00 2.84 0.00 0.00 34.83 35.80 1smy s MET 1238CO 0.27 -1.27 0.01 -0.09 -0.65 0.00 0.00 175.02 173.29 1smy h ARG 1239N 6.36 0.00 -2.24 4.11 2.43 -1.96 -3.45 114.38 119.64 1smy h ARG 1239Ca 0.13 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1smy h ARG 1239Cb 0.93 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.25 1smy h ARG 1239CO 0.37 0.45 -0.08 0.99 -1.51 0.00 0.00 179.97 180.19 1smy s THR 1240N -2.27 -0.01 0.00 0.20 2.01 -1.26 -5.08 115.64 109.23 1smy s THR 1240Ca -0.21 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1smy s THR 1240Cb 0.04 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.69 1smy s THR 1240CO 0.38 0.01 0.90 0.49 -0.69 0.00 0.00 174.62 175.72 1smy n PHE 1241N 4.05 0.00 -1.76 4.92 3.01 -1.26 -1.19 117.46 125.23 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 39.63 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 -2.45 3.06 -0.41 1.38 8.25 -1.26 -4.23 115.22 119.56 1smy n HIS 1242Ca 0.00 -2.96 -0.14 0.00 -0.26 0.00 0.00 57.72 54.36 1smy n HIS 1242Cb 0.00 -2.37 0.01 0.00 1.12 0.00 0.00 29.99 28.76 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 4.08 0.00 0.00 1.59 -1.04 -0.34 -4.91 114.28 113.67 1smy n THR 1243Ca 0.57 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 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 1.27 -1.49 3.22 3.41 0.00 -1.26 -4.86 105.19 105.48 1smy n GLY 1244Ca 0.00 -1.50 -0.29 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 -2.74 1.11 -0.47 -0.02 0.00 -1.26 -5.00 107.32 98.94 1smy s GLY 1245Ca 0.00 -0.91 -0.27 0.00 0.00 0.00 0.00 44.72 43.54 1smy s GLY 1245CO 0.00 -0.62 2.10 0.14 0.00 0.00 0.00 173.10 174.72 1smy s VAL 1246N -0.25 3.20 -0.30 1.40 1.01 -1.26 -4.62 120.40 119.59 1smy s VAL 1246Ca 0.01 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1smy s VAL 1246Cb -0.11 -3.42 0.20 0.00 0.00 0.00 0.00 36.38 33.04 1smy s VAL 1246CO 0.01 -0.37 1.22 0.00 0.00 0.00 0.00 175.10 175.96 1smy s ALA 1247N 9.76 -2.74 0.00 5.51 0.00 -1.26 -5.09 121.76 127.94 1smy s ALA 1247Ca 0.85 1.98 0.00 0.00 0.00 0.00 0.00 51.96 54.79 1smy s ALA 1247Cb -0.19 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1smy s ALA 1247CO 0.27 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1smy n GLY 1248N 3.49 0.33 2.65 0.00 0.00 -1.26 -3.47 105.19 106.93 1smy n GLY 1248Ca -0.15 0.64 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 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 7.01 -0.69 -2.64 4.61 0.00 -1.26 -5.09 120.51 122.45 1smy n ALA 1249Ca 0.00 -1.75 -0.42 0.00 0.00 0.00 0.00 53.44 51.26 1smy n ALA 1249Cb 0.00 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 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 0.30 3.01 0.00 0.00 0.00 -1.23 -4.96 121.76 118.88 1smy s ALA 1250Ca 0.31 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1smy s ALA 1250Cb 0.23 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1smy s ALA 1250CO -0.20 -2.73 0.14 -0.25 0.00 0.00 0.00 175.76 172.72 1smy n ASP 1251N 8.21 0.00 -1.88 0.00 10.43 -1.26 -4.76 116.55 127.29 1smy n ASP 1251Ca 0.03 0.27 0.00 0.00 2.57 0.00 0.00 54.79 57.66 1smy n ASP 1251Cb 0.48 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 43.27 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 -1.00 0.00 -3.96 0.53 5.41 -1.26 -3.89 119.36 115.19 1smy n ILE 1252Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.58 1smy n ILE 1252Cb 0.00 -1.53 -0.16 0.00 -0.71 0.00 0.00 39.64 37.24 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 0.24 0.21 0.48 1.39 -1.32 -1.26 -4.60 115.64 110.79 1smy s THR 1253Ca 0.00 0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.56 1smy s THR 1253Cb 0.00 -0.28 -0.02 0.00 -1.51 0.00 0.00 72.50 70.69 1smy s THR 1253CO 0.00 0.14 0.11 -1.10 -2.21 0.00 0.00 174.62 171.56 1smy s GLN 1254N 0.87 2.17 1.38 7.08 -1.52 -1.26 -4.68 119.66 123.71 1smy s GLN 1254Ca -0.09 -2.19 0.00 0.00 -1.95 0.00 0.00 55.36 51.13 1smy s GLN 1254Cb -0.12 -1.73 0.00 0.00 -0.22 0.00 0.00 33.01 30.94 1smy s GLN 1254CO -0.01 -0.32 0.00 0.41 -0.25 0.00 0.00 175.29 175.12 1smy n GLY 1255N -1.30 -0.98 0.33 3.09 0.00 -1.26 -3.51 105.19 101.56 1smy n GLY 1255Ca -0.11 -0.88 0.21 0.00 0.00 0.00 0.00 46.02 45.25 1smy n GLY 1255CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1smy h LEU 1256N 0.00 -0.05 -0.99 0.99 6.46 -1.76 0.22 115.31 120.18 1smy h LEU 1256Ca 0.01 0.25 0.32 0.00 -0.12 0.00 0.00 57.88 58.34 1smy h LEU 1256Cb 0.27 0.35 -0.15 0.00 -0.73 0.00 0.00 40.66 40.40 1smy h LEU 1256CO 0.00 -0.34 0.54 -0.65 -0.62 0.00 0.00 178.44 177.38 1smy h PRO 1257N 0.06 0.31 -0.08 5.25 0.11 -1.71 0.17 132.00 136.11 1smy h PRO 1257Ca 0.69 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.73 1smy h PRO 1257Cb 1.61 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.65 1smy h PRO 1257CO -0.81 0.20 -0.17 -0.09 -0.21 0.00 0.00 178.00 176.93 1smy h ARG 1258N 0.32 0.25 -0.29 1.05 2.43 -0.59 -2.42 114.38 115.12 1smy h ARG 1258Ca 0.72 -0.17 0.09 0.00 -0.81 0.00 0.00 59.98 59.81 1smy h ARG 1258Cb 1.63 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.19 1smy h ARG 1258CO -0.61 0.76 0.33 0.28 -1.51 0.00 0.00 179.97 179.21 1smy h VAL 1259N -0.22 0.42 0.20 0.20 2.07 -0.71 0.79 116.25 119.00 1smy h VAL 1259Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1smy h VAL 1259Cb 0.75 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1smy h VAL 1259CO 0.04 0.00 -0.10 0.40 0.02 0.00 0.00 177.57 177.93 1smy h ILE 1260N 0.00 0.70 -1.00 4.57 1.08 -0.98 -1.03 117.51 120.85 1smy h ILE 1260Ca 0.14 -1.02 0.29 0.00 -0.39 0.00 0.00 64.86 63.88 1smy h ILE 1260Cb 0.79 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 35.66 1smy h ILE 1260CO -0.00 0.18 0.71 -0.08 -0.69 0.00 0.00 178.15 178.27 1smy h GLU 1261N -0.90 0.04 0.00 2.37 4.81 -0.09 0.18 114.58 120.99 1smy h GLU 1261Ca -0.03 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1smy h GLU 1261Cb 0.50 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1smy h GLU 1261CO 0.05 0.03 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.24 1smy h LEU 1262N 0.04 0.00 -0.27 1.64 4.07 0.54 -3.26 115.31 118.06 1smy h LEU 1262Ca 0.48 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1smy h LEU 1262Cb 1.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.60 1smy h LEU 1262CO -0.03 0.73 0.00 0.49 -1.08 0.00 0.00 178.44 178.55 1smy n PHE 1263N -4.70 0.19 -3.92 1.13 3.01 -0.40 -3.46 117.46 109.31 1smy n PHE 1263Ca -0.05 0.09 -0.29 0.00 1.01 0.00 0.00 57.45 58.21 1smy n PHE 1263Cb 0.22 -0.64 -0.13 0.00 -0.01 0.00 0.00 39.48 38.92 1smy n PHE 1263CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1smy s GLU 1264N -3.11 2.19 -0.98 -1.08 2.56 0.59 -2.53 118.70 116.35 1smy s GLU 1264Ca 0.02 -2.95 -0.27 0.00 0.00 0.00 0.00 54.97 51.78 1smy s GLU 1264Cb 0.05 -3.34 -0.23 0.00 2.00 0.00 0.00 34.13 32.60 1smy s GLU 1264CO 0.16 -1.19 2.59 0.00 -0.56 0.00 0.00 175.26 176.25 1smy n ALA 1265N 2.59 0.46 -2.23 6.30 0.00 -1.22 -4.59 120.51 121.80 1smy n ALA 1265Ca 0.12 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 1smy n ALA 1265Cb 0.33 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.34 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 8.62 1.31 -0.48 0.00 0.52 -1.25 -4.74 118.95 122.95 1smy s ARG 1266Ca 1.33 -1.71 -0.27 0.00 -0.52 0.00 0.00 55.73 54.56 1smy s ARG 1266Cb -1.13 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 34.48 1smy s ARG 1266CO 0.49 -0.41 1.98 0.50 0.02 0.00 0.00 175.30 177.89 1smy s ARG 1267N -4.05 2.76 0.88 3.54 6.06 -1.26 -4.53 118.95 122.35 1smy s ARG 1267Ca 0.39 1.12 -0.11 0.00 -2.50 0.00 0.00 55.73 54.63 1smy s ARG 1267Cb 0.07 -4.37 0.13 0.00 0.06 0.00 0.00 34.95 30.83 1smy s ARG 1267CO 0.14 -2.55 1.17 -2.14 -2.50 0.00 0.00 175.30 169.42 1smy s PRO 1268N 6.85 1.20 0.09 5.12 0.02 -1.26 -4.94 135.00 142.07 1smy s PRO 1268Ca 0.80 1.63 -0.35 0.00 0.02 0.00 0.00 61.00 63.09 1smy s PRO 1268Cb -0.18 -1.74 -0.17 0.00 0.02 0.00 0.00 34.50 32.44 1smy s PRO 1268CO 0.27 -2.52 1.57 0.87 -0.33 0.00 0.00 177.00 176.86 1smy h LYS 1269N -1.57 -0.95 -3.32 5.54 1.79 -1.89 -3.26 116.57 112.91 1smy h LYS 1269Ca -0.44 0.06 -0.77 0.00 -2.18 0.00 0.00 60.65 57.32 1smy h LYS 1269Cb 1.28 0.21 -0.30 0.00 -1.58 0.00 0.00 32.23 31.84 1smy h LYS 1269CO 0.43 -0.63 0.34 0.00 -1.08 0.00 0.00 179.45 178.51 1smy n ALA 1270N -2.80 4.30 -1.74 3.86 0.00 -1.25 -5.04 120.51 117.84 1smy n ALA 1270Ca -0.12 -4.68 -0.42 0.00 0.00 0.00 0.00 53.44 48.22 1smy n ALA 1270Cb 0.45 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 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 2.25 2.47 -4.02 0.00 4.81 -1.23 -2.49 118.16 119.94 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 -2.57 -0.12 0.00 0.02 0.00 0.00 35.03 32.73 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 -0.69 3.08 -0.07 3.14 0.00 0.34 -4.84 121.76 122.72 1smy s ALA 1272Ca 0.58 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 1smy s ALA 1272Cb -0.53 -1.83 -0.06 0.00 0.00 0.00 0.00 23.12 20.71 1smy s ALA 1272CO 0.58 -0.18 1.81 0.14 0.00 0.00 0.00 175.76 178.11 1smy s VAL 1273N 1.05 3.35 0.36 0.00 -7.23 -1.26 -4.75 120.40 111.91 1smy s VAL 1273Ca 0.02 0.42 -0.06 0.00 -1.81 0.00 0.00 61.98 60.55 1smy s VAL 1273Cb -0.14 -3.30 -0.05 0.00 0.56 0.00 0.00 36.38 33.45 1smy s VAL 1273CO 0.02 -0.07 0.65 0.27 -0.31 0.00 0.00 175.10 175.65 1smy s ILE 1274N 4.81 4.95 -0.51 -0.62 -5.25 -1.26 -2.16 121.20 121.15 1smy s ILE 1274Ca 0.81 0.16 -0.18 0.00 -0.99 0.00 0.00 60.65 60.45 1smy s ILE 1274Cb -0.35 -3.77 0.07 0.00 2.95 0.00 0.00 42.46 41.36 1smy s ILE 1274CO 0.34 -0.49 0.60 -0.55 -1.79 0.00 0.00 174.94 173.04 1smy s SER 1275N -3.43 6.20 0.45 4.36 0.15 -1.14 -4.84 113.70 115.46 1smy s SER 1275Ca 0.46 -1.08 0.26 0.00 0.70 0.00 0.00 55.95 56.29 1smy s SER 1275Cb -0.10 -2.27 1.42 0.00 -1.71 0.00 0.00 66.02 63.36 1smy s SER 1275CO 0.34 -0.88 1.78 -0.33 1.20 0.00 0.00 173.24 175.34 1smy h GLU 1276N 8.98 0.00 -6.01 5.44 5.08 -1.94 0.21 114.58 126.35 1smy h GLU 1276Ca -0.28 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.50 1smy h GLU 1276Cb 1.10 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.25 1smy h GLU 1276CO 0.97 0.00 -0.59 0.42 -1.00 0.00 0.00 179.01 178.81 1smy s ILE 1277N -3.72 2.66 -0.41 3.13 1.01 -1.26 -4.78 121.20 117.84 1smy s ILE 1277Ca -0.03 -1.90 0.03 0.00 0.00 0.00 0.00 60.65 58.75 1smy s ILE 1277Cb 0.08 -2.86 0.11 0.00 0.01 0.00 0.00 42.46 39.80 1smy s ILE 1277CO 0.24 -0.17 0.14 -1.81 0.00 0.00 0.00 174.94 173.34 1smy s ASP 1278N -3.76 4.76 0.00 3.58 1.11 -1.26 -3.96 116.67 117.15 1smy s ASP 1278Ca 0.36 -2.37 0.00 0.00 0.18 0.00 0.00 52.55 50.72 1smy s ASP 1278Cb 0.00 -1.67 0.00 0.00 1.07 0.00 0.00 42.92 42.32 1smy s ASP 1278CO 0.20 -0.37 0.00 0.61 1.18 0.00 0.00 175.17 176.79 1smy n GLY 1279N 4.00 4.29 3.77 0.21 0.00 -1.22 -4.72 105.19 111.52 1smy n GLY 1279Ca 0.04 -0.44 -0.26 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 4.36 0.04 1.61 1.01 0.19 -1.96 120.40 126.09 1smy s VAL 1280Ca 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 1smy s VAL 1280Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1smy s VAL 1280CO 0.00 -0.10 0.21 -0.69 0.00 0.00 0.00 175.10 174.53 1smy s VAL 1281N -1.73 5.39 -0.13 2.92 1.01 -0.96 -0.97 120.40 125.93 1smy s VAL 1281Ca 0.30 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1smy s VAL 1281Cb -0.10 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1smy s VAL 1281CO 0.22 0.21 0.32 -0.13 0.00 0.00 0.00 175.10 175.73 1smy s ARG 1282N -2.28 0.34 0.34 2.72 0.52 0.30 -2.41 118.95 118.47 1smy s ARG 1282Ca 0.32 0.54 0.05 0.00 -0.52 0.00 0.00 55.73 56.12 1smy s ARG 1282Cb -0.13 0.06 -0.07 0.00 0.52 0.00 0.00 34.95 35.34 1smy s ARG 1282CO 0.24 -0.10 0.04 0.42 0.02 0.00 0.00 175.30 175.92 1smy s ILE 1283N 0.71 1.39 0.24 1.52 1.01 -1.26 0.49 121.20 125.31 1smy s ILE 1283Ca -0.04 -2.01 0.01 0.00 0.00 0.00 0.00 60.65 58.60 1smy s ILE 1283Cb -0.06 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1smy s ILE 1283CO -0.05 -0.03 0.11 -1.61 0.00 0.00 0.00 174.94 173.36 1smy s GLU 1284N -3.84 1.36 -0.04 2.79 0.41 -1.18 -5.00 118.70 113.20 1smy s GLU 1284Ca 0.36 -1.73 0.05 0.00 -0.41 0.00 0.00 54.97 53.24 1smy s GLU 1284Cb 0.09 -0.12 0.08 0.00 -1.78 0.00 0.00 34.13 32.40 1smy s GLU 1284CO 0.16 -0.32 0.99 -0.85 -0.49 0.00 0.00 175.26 174.75 1smy n GLU 1285N -0.41 2.06 -1.69 1.61 0.00 -1.26 -4.55 120.64 116.39 1smy n GLU 1285Ca 0.01 -1.68 -0.38 0.00 0.00 0.00 0.00 57.16 55.11 1smy n GLU 1285Cb 0.66 -1.07 0.06 0.00 0.00 0.00 0.00 31.44 31.09 1smy n GLU 1285CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1smy n THR 1286N -0.69 4.23 0.00 3.84 5.66 -1.26 -4.93 114.28 121.13 1smy n THR 1286Ca 0.05 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1smy n THR 1286Cb 0.41 -1.39 0.00 0.00 -1.55 0.00 0.00 70.33 67.80 1smy n THR 1286CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1smy n GLU 1287N -1.36 0.00 0.00 1.09 4.71 -1.26 -4.03 120.64 119.79 1smy n GLU 1287Ca 0.14 0.21 0.00 0.00 -0.01 0.00 0.00 57.16 57.50 1smy n GLU 1287Cb 0.47 -0.69 0.00 0.00 -1.01 0.00 0.00 31.44 30.20 1smy n GLU 1287CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1smy n GLU 1288N -0.43 0.00 -4.54 3.49 1.02 -1.26 -4.78 120.64 114.13 1smy n GLU 1288Ca 0.00 0.64 -0.31 0.00 -0.02 0.00 0.00 57.16 57.47 1smy n GLU 1288Cb 0.00 -1.41 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 1smy n GLU 1288CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1smy s LYS 1289N -2.64 2.29 0.00 3.49 1.02 -1.26 -4.59 119.74 118.05 1smy s LYS 1289Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1smy s LYS 1289Cb 0.00 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1smy s LYS 1289CO 0.00 0.56 0.00 1.28 -0.92 0.00 0.00 175.35 176.27 1smy n LEU 1290N 1.50 0.00 -3.52 3.17 4.32 -1.25 -4.40 117.00 116.82 1smy n LEU 1290Ca -0.16 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 55.84 1smy n LEU 1290Cb 0.52 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.27 1smy n LEU 1290CO 0.29 -0.44 0.77 -0.94 -1.22 0.00 0.00 177.39 175.85 1smy s SER 1291N -1.00 -0.36 -0.21 -1.43 1.04 -1.26 -4.15 113.70 106.32 1smy s SER 1291Ca 0.00 0.54 -0.06 0.00 0.48 0.00 0.00 55.95 56.91 1smy s SER 1291Cb 0.00 1.26 -0.03 0.00 0.10 0.00 0.00 66.02 67.35 1smy s SER 1291CO 0.00 -0.08 0.04 -0.69 0.98 0.00 0.00 173.24 173.49 1smy s VAL 1292N 1.65 4.29 -0.20 5.02 1.01 -0.54 -3.12 120.40 128.51 1smy s VAL 1292Ca -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1smy s VAL 1292Cb -0.04 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1smy s VAL 1292CO -0.14 0.40 -0.07 -0.36 0.00 0.00 0.00 175.10 174.93 1smy s PHE 1293N 1.08 2.92 -0.10 5.22 0.40 0.18 -0.63 117.98 127.05 1smy s PHE 1293Ca 0.03 -0.92 -0.04 0.00 -0.60 0.00 0.00 56.93 55.40 1smy s PHE 1293Cb -0.14 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 1smy s PHE 1293CO 0.03 -0.49 0.07 0.08 0.70 0.00 0.00 175.22 175.61 1smy s VAL 1294N 1.22 4.91 -0.18 -0.44 1.01 -0.85 -0.54 120.40 125.53 1smy s VAL 1294Ca 0.03 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 1smy s VAL 1294Cb -0.14 -3.11 0.10 0.00 0.00 0.00 0.00 36.38 33.23 1smy s VAL 1294CO -0.02 0.61 0.88 -1.83 0.00 0.00 0.00 175.10 174.73 1smy s GLU 1295N -0.93 0.73 0.41 2.72 -1.05 -0.14 -1.11 118.70 119.33 1smy s GLU 1295Ca 0.14 0.44 0.06 0.00 -0.15 0.00 0.00 54.97 55.46 1smy s GLU 1295Cb -0.12 0.35 -0.07 0.00 -0.44 0.00 0.00 34.13 33.85 1smy s GLU 1295CO 0.03 -0.17 0.02 0.45 0.95 0.00 0.00 175.26 176.53 1smy s SER 1296N -0.51 3.71 0.65 0.83 0.15 -0.86 0.57 113.70 118.24 1smy s SER 1296Ca -0.02 -1.40 0.23 0.00 0.70 0.00 0.00 55.95 55.46 1smy s SER 1296Cb -0.02 -0.26 1.24 0.00 -1.71 0.00 0.00 66.02 65.27 1smy s SER 1296CO 0.02 -0.52 1.70 1.05 1.20 0.00 0.00 173.24 176.69 1smy h GLU 1297N 1.77 0.00 0.00 5.44 -0.00 -2.02 -3.11 114.58 116.66 1smy h GLU 1297Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.93 1smy h GLU 1297Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 1smy h GLU 1297CO 0.79 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 180.21 1smy n GLY 1298N -1.33 1.07 0.92 1.06 0.00 -1.26 -5.07 105.19 100.58 1smy n GLY 1298Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.83 -0.09 -4.04 1.61 1.16 -1.18 -5.18 117.46 108.91 1smy n PHE 1299Ca 0.00 -0.76 -0.08 0.00 -1.87 0.00 0.00 57.45 54.75 1smy n PHE 1299Cb 0.00 0.04 -0.10 0.00 -1.61 0.00 0.00 39.48 37.81 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 -1.68 0.39 -0.03 5.98 0.01 -1.26 -2.02 113.70 115.09 1smy s SER 1300Ca 0.08 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.54 1smy s SER 1300Cb 0.00 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.43 1smy s SER 1300CO 0.06 -0.51 -0.05 -0.75 0.41 0.00 0.00 173.24 172.40 1smy s LYS 1301N -3.14 0.71 0.15 12.44 2.47 -0.26 -5.00 119.74 127.10 1smy s LYS 1301Ca -0.00 -0.14 -0.19 0.00 -1.56 0.00 0.00 55.97 54.08 1smy s LYS 1301Cb 0.02 -0.71 -0.07 0.00 -1.46 0.00 0.00 37.83 35.60 1smy s LYS 1301CO -0.07 -0.01 0.65 -2.00 0.16 0.00 0.00 175.35 174.07 1smy s GLU 1302N 0.58 4.22 -0.23 4.03 -6.30 -1.26 -2.01 118.70 117.73 1smy s GLU 1302Ca -0.07 0.79 -0.02 0.00 -2.50 0.00 0.00 54.97 53.17 1smy s GLU 1302Cb -0.11 -3.05 0.07 0.00 0.00 0.00 0.00 34.13 31.04 1smy s GLU 1302CO 0.00 0.51 0.03 0.71 0.02 0.00 0.00 175.26 176.53 1smy s TYR 1303N -1.34 1.47 -0.19 5.30 4.12 0.19 -4.99 117.35 121.92 1smy s TYR 1303Ca 0.37 -1.25 -0.29 0.00 0.02 0.00 0.00 57.07 55.91 1smy s TYR 1303Cb -0.18 -1.30 -0.01 0.00 -1.52 0.00 0.00 41.96 38.95 1smy s TYR 1303CO 0.21 -0.71 1.31 -1.59 0.02 0.00 0.00 175.55 174.79 1smy s LYS 1304N 1.70 4.14 -0.41 -0.62 0.00 -1.26 -1.47 119.74 121.82 1smy s LYS 1304Ca 0.00 1.60 0.04 0.00 0.00 0.00 0.00 55.97 57.61 1smy s LYS 1304Cb -0.17 -3.82 0.11 0.00 0.00 0.00 0.00 37.83 33.95 1smy s LYS 1304CO -0.11 -0.84 0.14 -0.51 0.00 0.00 0.00 175.35 174.02 1smy s LEU 1305N 3.82 4.46 0.95 2.77 1.43 -1.26 -5.01 118.68 125.84 1smy s LEU 1305Ca 0.57 -2.49 -0.13 0.00 -1.03 0.00 0.00 54.13 51.05 1smy s LEU 1305Cb -0.21 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1smy s LEU 1305CO 0.18 -0.32 0.36 -2.65 0.23 0.00 0.00 176.35 174.15 1smy n PRO 1306N 3.81 -0.29 -0.26 1.29 -0.02 -1.26 -3.80 135.00 134.47 1smy n PRO 1306Ca 0.04 -0.05 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1smy n PRO 1306Cb 0.38 -1.82 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 1smy n PRO 1306CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1smy n LYS 1307N -1.54 -0.20 0.33 -0.52 5.02 -1.26 -0.19 118.16 119.79 1smy n LYS 1307Ca 0.06 1.00 0.22 0.00 -2.02 0.00 0.00 58.31 57.57 1smy n LYS 1307Cb 0.54 -1.48 1.11 0.00 -0.02 0.00 0.00 35.03 35.18 1smy n LYS 1307CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1smy h GLU 1308N 0.00 0.00 -6.28 1.97 3.07 -1.98 -3.42 114.58 107.93 1smy h GLU 1308Ca 0.18 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.48 1smy h GLU 1308Cb 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1smy h GLU 1308CO -0.64 0.00 1.15 0.00 -1.40 0.00 0.00 179.01 178.12 1smy s ALA 1309N -4.05 3.23 -0.39 3.43 0.00 0.73 -4.96 121.76 119.75 1smy s ALA 1309Ca -0.04 0.47 -0.20 0.00 0.00 0.00 0.00 51.96 52.19 1smy s ALA 1309Cb 0.12 -3.87 0.01 0.00 0.00 0.00 0.00 23.12 19.38 1smy s ALA 1309CO 0.44 -2.01 0.62 -0.98 0.00 0.00 0.00 175.76 173.82 1smy s ARG 1310N 4.78 3.48 0.11 0.00 1.70 -1.26 -4.94 118.95 122.82 1smy s ARG 1310Ca 0.73 -0.19 -0.30 0.00 -0.47 0.00 0.00 55.73 55.50 1smy s ARG 1310Cb -0.25 -3.88 -0.06 0.00 -0.57 0.00 0.00 34.95 30.19 1smy s ARG 1310CO 0.30 -0.85 1.06 -0.48 -1.08 0.00 0.00 175.30 174.25 1smy s LEU 1311N 2.71 4.45 0.26 -1.89 2.34 -1.26 -2.47 118.68 122.82 1smy s LEU 1311Ca 0.23 1.93 0.22 0.00 0.06 0.00 0.00 54.13 56.57 1smy s LEU 1311Cb -0.14 -3.59 0.08 0.00 -0.56 0.00 0.00 46.19 41.97 1smy s LEU 1311CO 0.17 -0.23 1.17 -0.07 -1.06 0.00 0.00 176.35 176.33 1smy h LEU 1312N 5.80 0.00-10.17 1.48 3.38 -1.16 -3.47 115.31 111.16 1smy h LEU 1312Ca -0.43 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.05 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 0.74 0.02 -0.27 0.54 0.09 0.00 0.00 178.44 179.57 1smy s VAL 1313N -3.31 5.15 0.19 1.22 0.11 -1.23 -5.08 120.40 117.45 1smy s VAL 1313Ca 0.01 -0.49 0.08 0.00 -2.93 0.00 0.00 61.98 58.64 1smy s VAL 1313Cb 0.08 -3.82 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1smy s VAL 1313CO 0.76 -0.40 -0.15 -1.59 -3.33 0.00 0.00 175.10 170.39 1smy s LYS 1314N -3.94 1.27 -0.37 1.54 0.00 -1.26 -5.08 119.74 111.90 1smy s LYS 1314Ca 0.39 -1.51 -0.29 0.00 0.00 0.00 0.00 55.97 54.55 1smy s LYS 1314Cb -0.10 -1.11 -0.08 0.00 0.00 0.00 0.00 37.83 36.54 1smy s LYS 1314CO 0.32 0.19 2.30 -0.25 0.00 0.00 0.00 175.35 177.92 1smy n ASP 1315N -0.16 2.55 0.00 0.03 8.00 -1.26 -3.59 116.55 122.12 1smy n ASP 1315Ca -0.10 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1smy n ASP 1315Cb 0.59 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 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 6.07 1.29 3.65 0.44 0.00 -1.01 -4.99 105.19 110.64 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 0.99 0.00 0.00 0.00 173.32 174.31 1smy s ASP 1317N -0.17 3.87 0.85 1.61 1.01 -1.24 -4.61 116.67 118.00 1smy s ASP 1317Ca 0.00 -1.46 -0.12 0.00 0.71 0.00 0.00 52.55 51.68 1smy s ASP 1317Cb 0.00 -0.09 0.11 0.00 1.01 0.00 0.00 42.92 43.95 1smy s ASP 1317CO 0.00 -0.59 1.19 -0.31 0.21 0.00 0.00 175.17 175.67 1smy s TYR 1318N -2.80 1.70 -0.28 4.23 2.02 -1.24 -2.27 117.35 118.71 1smy s TYR 1318Ca 0.26 1.73 0.01 0.00 -0.37 0.00 0.00 57.07 58.70 1smy s TYR 1318Cb 0.07 -3.44 0.16 0.00 -0.40 0.00 0.00 41.96 38.35 1smy s TYR 1318CO 0.13 -2.88 0.44 0.14 -1.57 0.00 0.00 175.55 171.81 1smy s VAL 1319N -2.34 -0.70 0.93 0.71 -7.23 -0.83 -4.93 120.40 106.02 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 -0.95 0.08 0.00 0.56 0.00 0.00 36.38 35.80 1smy s VAL 1319CO 0.54 -0.19 0.69 -0.62 -0.31 0.00 0.00 175.10 175.20 1smy n GLU 1320N 5.37 -0.33 -1.69 4.82 -0.58 -1.26 -3.43 120.64 123.53 1smy n GLU 1320Ca 0.00 -0.04 -0.44 0.00 -0.42 0.00 0.00 57.16 56.26 1smy n GLU 1320Cb 0.50 -2.05 -0.03 0.00 -0.57 0.00 0.00 31.44 29.29 1smy n GLU 1320CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1smy n ALA 1321N -3.80 2.13 -1.07 0.62 0.00 -1.25 -1.74 120.51 115.39 1smy n ALA 1321Ca 0.09 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.89 1smy n ALA 1321Cb 0.53 -2.49 -0.01 0.00 0.00 0.00 0.00 19.45 17.48 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 3.89 0.58 3.79 0.00 0.00 0.75 -4.35 105.19 109.86 1smy n GLY 1322Ca 0.17 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.72 3.72 -0.26 1.61 0.74 -0.71 -4.60 119.66 118.44 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 -2.13 -0.02 0.00 1.10 0.00 0.00 33.01 31.96 1smy s GLN 1323CO 0.00 -0.51 1.55 -2.14 -0.55 0.00 0.00 175.29 173.64 1smy s PRO 1324N -3.14 3.77 -0.22 1.67 0.02 -1.26 -2.88 135.00 132.95 1smy s PRO 1324Ca 0.68 1.51 -0.19 0.00 0.02 0.00 0.00 61.00 63.01 1smy s PRO 1324Cb -0.19 -4.02 -0.18 0.00 0.02 0.00 0.00 34.50 30.13 1smy s PRO 1324CO 0.23 -1.32 0.08 1.28 -0.33 0.00 0.00 177.00 176.93 1smy n LEU 1325N 8.46 1.91 0.00 -5.54 4.32 -0.92 -4.66 117.00 120.57 1smy n LEU 1325Ca 0.18 0.39 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 1smy n LEU 1325Cb 0.46 -0.93 0.00 0.00 -1.62 0.00 0.00 43.42 41.32 1smy n LEU 1325CO 0.65 0.37 0.00 0.41 -1.22 0.00 0.00 177.39 177.60 1smy n THR 1326N -4.36 0.00 -3.91 -5.08 -1.04 -1.21 -0.89 114.28 97.79 1smy n THR 1326Ca -0.38 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.34 1smy n THR 1326Cb 0.74 -1.34 -0.16 0.00 -1.82 0.00 0.00 70.33 67.75 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 -1.93 1.51 0.00 -2.82 3.52 -1.03 -4.04 118.95 114.15 1smy s ARG 1327Ca 0.00 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1smy s ARG 1327Cb 0.00 -2.22 0.00 0.00 -1.56 0.00 0.00 34.95 31.17 1smy s ARG 1327CO 0.00 -0.49 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 1smy n GLY 1328N 4.81 -0.03 3.93 8.12 0.00 -1.26 -4.83 105.19 115.93 1smy n GLY 1328Ca -0.12 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 3.93 -0.02 4.61 0.00 -1.04 -4.89 121.76 123.35 1smy s ALA 1329Ca 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.09 1smy s ALA 1329Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 1smy s ALA 1329CO 0.00 0.54 -0.22 0.96 0.00 0.00 0.00 175.76 177.04 1smy s ILE 1330N -1.75 1.73 -0.33 0.00 -4.36 -1.26 0.13 121.20 115.35 1smy s ILE 1330Ca 0.36 -0.92 -0.29 0.00 -0.26 0.00 0.00 60.65 59.54 1smy s ILE 1330Cb -0.11 -1.44 0.02 0.00 1.25 0.00 0.00 42.46 42.17 1smy s ILE 1330CO 0.29 0.49 1.10 -0.62 0.24 0.00 0.00 174.94 176.44 1smy s ASP 1331N -0.41 6.88 0.25 4.36 -1.08 -1.26 -4.71 116.67 120.70 1smy s ASP 1331Ca 0.06 1.02 -0.06 0.00 -0.52 0.00 0.00 52.55 53.04 1smy s ASP 1331Cb -0.09 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.30 1smy s ASP 1331CO 0.00 -0.93 1.63 -0.65 0.52 0.00 0.00 175.17 175.73 1smy h PRO 1332N 8.30 0.09 -0.72 4.34 0.11 -1.94 -1.85 132.00 140.34 1smy h PRO 1332Ca -0.21 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.99 1smy h PRO 1332Cb 1.06 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.04 1smy h PRO 1332CO 1.04 0.06 -0.45 0.45 -0.21 0.00 0.00 178.00 178.89 1smy h HIS 1333N 0.09 -1.35 0.29 0.65 3.86 -1.92 0.49 115.15 117.26 1smy h HIS 1333Ca 0.44 0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 1smy h HIS 1333Cb 0.78 0.69 -0.04 0.00 1.06 0.00 0.00 27.41 29.91 1smy h HIS 1333CO -0.44 -0.41 -0.48 1.96 0.86 0.00 0.00 177.93 179.41 1smy h GLN 1334N -0.15 -0.81 -0.59 2.45 4.20 -1.75 0.13 115.11 118.58 1smy h GLN 1334Ca 0.20 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.10 1smy h GLN 1334Cb 0.55 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1smy h GLN 1334CO -0.78 -0.54 0.41 1.25 -0.67 0.00 0.00 178.83 178.50 1smy h LEU 1335N -0.84 0.22 -0.08 1.46 5.85 -1.16 0.14 115.31 120.90 1smy h LEU 1335Ca -0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1smy h LEU 1335Cb 0.79 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1smy h LEU 1335CO -0.17 0.13 0.03 0.25 -0.34 0.00 0.00 178.44 178.33 1smy h LEU 1336N 0.24 0.12 -1.47 2.25 5.85 0.11 -0.15 115.31 122.27 1smy h LEU 1336Ca 0.28 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1smy h LEU 1336Cb 0.78 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1smy h LEU 1336CO -0.06 0.29 0.01 -0.08 -0.34 0.00 0.00 178.44 178.26 1smy h GLU 1337N -0.05 0.35 0.00 1.25 4.57 0.11 -1.76 114.58 119.05 1smy h GLU 1337Ca 0.03 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1smy h GLU 1337Cb 0.21 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1smy h GLU 1337CO -0.00 0.37 -0.73 0.00 -1.18 0.00 0.00 179.01 177.47 1smy n ALA 1338N -2.49 0.62 1.15 2.92 0.00 0.03 -4.61 120.51 118.13 1smy n ALA 1338Ca 0.00 -0.57 0.13 0.00 0.00 0.00 0.00 53.44 53.00 1smy n ALA 1338Cb 0.19 0.01 0.31 0.00 0.00 0.00 0.00 19.45 19.97 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 -4.55 0.54 0.00 0.00 4.81 -0.08 -4.82 118.16 114.05 1smy n LYS 1339Ca -0.11 -0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.01 1smy n LYS 1339Cb 0.37 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 1.40 -0.05 0.48 3.14 0.00 -0.66 -4.52 105.19 104.97 1smy n GLY 1340Ca 0.10 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.88 -1.32 1.61 0.11 -1.88 -3.02 132.00 126.63 1smy h PRO 1341Ca 0.00 0.06 0.38 0.00 0.11 0.00 0.00 66.00 66.55 1smy h PRO 1341Cb 0.00 0.20 -0.06 0.00 0.11 0.00 0.00 31.00 31.25 1smy h PRO 1341CO 0.00 -0.59 0.94 0.93 -0.21 0.00 0.00 178.00 179.08 1smy h GLU 1342N -0.91 0.02 -0.01 1.05 3.07 -1.97 0.61 114.58 116.43 1smy h GLU 1342Ca -0.04 -0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.65 1smy h GLU 1342Cb 0.82 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.74 1smy h GLU 1342CO -0.11 0.02 -0.66 0.00 -1.40 0.00 0.00 179.01 176.86 1smy h ALA 1343N 1.36 0.10 0.77 3.43 0.00 -1.77 -2.84 119.26 120.30 1smy h ALA 1343Ca 0.64 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1smy h ALA 1343Cb 2.49 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.31 1smy h ALA 1343CO -0.04 0.41 -0.47 0.28 0.00 0.00 0.00 179.25 179.43 1smy h VAL 1344N -0.01 0.05 -0.31 0.00 2.07 0.28 -0.61 116.25 117.73 1smy h VAL 1344Ca -0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1smy h VAL 1344Cb 1.36 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1smy h VAL 1344CO 0.13 0.00 -0.44 -0.33 0.02 0.00 0.00 177.57 176.96 1smy h GLU 1345N -1.17 -0.31 -0.92 1.57 5.08 -1.33 0.18 114.58 117.69 1smy h GLU 1345Ca -0.10 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.52 1smy h GLU 1345Cb 0.94 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 30.12 1smy h GLU 1345CO 0.10 -0.20 0.40 -0.09 -1.00 0.00 0.00 179.01 178.22 1smy h ARG 1346N -0.32 0.34 0.12 2.33 9.65 -1.46 -1.21 114.38 123.83 1smy h ARG 1346Ca 0.05 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1smy h ARG 1346Cb 0.47 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1smy h ARG 1346CO -0.46 0.22 -0.06 -0.92 2.80 0.00 0.00 179.97 181.56 1smy h TYR 1347N 0.35 -0.15 -0.11 2.20 3.20 0.88 -2.99 116.97 120.35 1smy h TYR 1347Ca 0.60 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.50 1smy h TYR 1347Cb 1.20 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.45 1smy h TYR 1347CO -0.14 0.15 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.07 1smy h LEU 1348N -0.46 -1.23 -0.14 2.82 -0.00 0.37 0.23 115.31 116.90 1smy h LEU 1348Ca -0.02 0.16 0.02 0.00 -0.00 0.00 0.00 57.88 58.05 1smy h LEU 1348Cb 0.37 0.50 -0.04 0.00 -0.00 0.00 0.00 40.66 41.49 1smy h LEU 1348CO 0.03 -0.42 -0.31 0.58 -0.00 0.00 0.00 178.44 178.32 1smy h VAL 1349N -0.48 0.00 -0.67 1.22 2.07 -1.49 -0.27 116.25 116.63 1smy h VAL 1349Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1smy h VAL 1349Cb 0.61 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 1smy h VAL 1349CO -0.37 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 177.19 1smy h GLU 1350N -0.29 0.50 -0.48 1.57 3.07 -1.34 -0.70 114.58 116.90 1smy h GLU 1350Ca 0.03 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1smy h GLU 1350Cb 0.37 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1smy h GLU 1350CO -0.28 0.33 0.20 1.49 -1.40 0.00 0.00 179.01 179.35 1smy h GLU 1351N 0.52 0.68 0.52 2.33 4.57 -0.06 -2.01 114.58 121.13 1smy h GLU 1351Ca 0.33 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1smy h GLU 1351Cb 0.38 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1smy h GLU 1351CO -0.29 0.56 -0.25 0.82 -1.18 0.00 0.00 179.01 178.67 1smy h ILE 1352N 0.68 0.24 -1.68 2.32 2.04 0.32 -3.04 117.51 118.39 1smy h ILE 1352Ca 0.17 -0.47 0.49 0.00 1.00 0.00 0.00 64.86 66.04 1smy h ILE 1352Cb 0.12 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 1smy h ILE 1352CO -0.02 0.04 1.21 1.56 0.00 0.00 0.00 178.15 180.95 1smy h GLN 1353N -1.07 0.00 0.03 2.37 1.08 -1.01 0.43 115.11 116.93 1smy h GLN 1353Ca -0.07 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 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 0.12 0.00 -0.36 0.87 -0.95 0.00 0.00 178.83 178.51 1smy h LYS 1354N 0.00 -0.52 0.20 1.46 1.79 -1.24 -0.17 116.57 118.10 1smy h LYS 1354Ca 0.80 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 59.31 1smy h LYS 1354Cb 3.22 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 33.97 1smy h LYS 1354CO -0.02 -0.34 -0.20 0.28 -1.08 0.00 0.00 179.45 178.09 1smy h VAL 1355N -0.53 0.56 0.32 0.50 2.07 -1.02 -2.57 116.25 115.58 1smy h VAL 1355Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1smy h VAL 1355Cb 0.61 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1smy h VAL 1355CO -0.27 0.00 -0.21 1.88 0.02 0.00 0.00 177.57 178.99 1smy h TYR 1356N -0.44 -0.54 -0.89 1.57 -1.99 -1.54 -2.74 116.97 110.40 1smy h TYR 1356Ca 0.00 -0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.86 1smy h TYR 1356Cb 0.41 0.20 -0.09 0.00 2.00 0.00 0.00 36.73 39.25 1smy h TYR 1356CO -0.15 -0.32 0.50 0.00 -0.00 0.00 0.00 178.16 178.19 1smy h ARG 1357N -0.52 0.72 0.00 4.88 3.08 -1.04 0.53 114.38 122.04 1smy h ARG 1357Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1smy h ARG 1357Cb 0.43 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1smy h ARG 1357CO 0.03 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.40 1smy n ALA 1358N -2.39 1.38 -1.60 0.04 0.00 -0.97 -2.12 120.51 114.86 1smy n ALA 1358Ca 0.17 0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.65 1smy n ALA 1358Cb 0.40 -1.30 0.17 0.00 0.00 0.00 0.00 19.45 18.73 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 2.09 0.00 0.00 6.02 0.18 -4.98 117.38 118.64 1smy n GLN 1359Ca 0.01 -3.41 0.00 0.00 -0.01 0.00 0.00 57.00 53.59 1smy n GLN 1359Cb 0.13 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.54 1smy n GLN 1359CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1smy n GLY 1360N -1.05 2.02 3.77 1.08 0.00 -0.90 -4.97 105.19 105.15 1smy n GLY 1360Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.25 2.21 -0.57 1.61 1.01 -1.04 -4.94 120.40 118.44 1smy s VAL 1361Ca 0.00 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1smy s VAL 1361Cb 0.00 -3.13 0.19 0.00 0.00 0.00 0.00 36.38 33.44 1smy s VAL 1361CO 0.00 0.05 0.49 0.29 0.00 0.00 0.00 175.10 175.93 1smy n LYS 1362N 0.70 1.30 -4.08 2.72 4.76 -1.26 -3.69 118.16 118.61 1smy n LYS 1362Ca 0.01 -3.96 -0.32 0.00 -2.87 0.00 0.00 58.31 51.18 1smy n LYS 1362Cb 0.40 -1.96 -0.07 0.00 -1.84 0.00 0.00 35.03 31.56 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 -1.12 3.86 0.31 -0.35 0.05 -1.26 -3.92 118.68 116.25 1smy s LEU 1363Ca 0.31 0.08 -0.29 0.00 0.05 0.00 0.00 54.13 54.28 1smy s LEU 1363Cb 0.04 -2.38 -0.10 0.00 -2.05 0.00 0.00 46.19 41.70 1smy s LEU 1363CO -0.15 0.23 1.32 -2.28 -0.55 0.00 0.00 176.35 174.92 1smy s HIS 1364N -1.28 3.07 0.27 3.48 5.65 -0.90 -4.91 115.29 120.67 1smy s HIS 1364Ca 0.26 1.35 0.01 0.00 0.25 0.00 0.00 55.06 56.93 1smy s HIS 1364Cb -0.12 -3.69 0.57 0.00 -1.18 0.00 0.00 32.58 28.16 1smy s HIS 1364CO 0.18 -1.95 1.78 -0.44 -0.65 0.00 0.00 174.74 173.66 1smy h ASP 1365N 3.76 0.67 -0.85 9.88 3.45 -1.31 -2.98 116.42 129.04 1smy h ASP 1365Ca -0.48 0.08 0.13 0.00 0.43 0.00 0.00 57.03 57.19 1smy h ASP 1365Cb 1.22 -0.04 -0.14 0.00 -0.56 0.00 0.00 39.33 39.82 1smy h ASP 1365CO 0.68 0.29 -0.34 0.29 -1.57 0.00 0.00 179.24 178.59 1smy n LYS 1366N -4.79 -0.21 0.09 3.56 5.02 -1.26 -1.25 118.16 119.32 1smy n LYS 1366Ca 0.18 1.31 -0.13 0.00 -2.02 0.00 0.00 58.31 57.65 1smy n LYS 1366Cb 0.44 -1.94 -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 -0.98 -0.85 2.13 3.86 -1.90 0.15 115.15 117.56 1smy h HIS 1367Ca 0.29 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1smy h HIS 1367Cb 0.50 0.42 -0.04 0.00 1.06 0.00 0.00 27.41 29.35 1smy h HIS 1367CO -0.76 -0.45 0.53 0.82 0.86 0.00 0.00 177.93 178.93 1smy h ILE 1368N -0.55 1.23 -0.46 2.45 2.04 -1.34 -2.24 117.51 118.63 1smy h ILE 1368Ca 0.04 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1smy h ILE 1368Cb 0.61 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 1smy h ILE 1368CO -0.24 0.23 0.16 -0.33 0.00 0.00 0.00 178.15 177.97 1smy h GLU 1369N 1.16 0.33 -0.24 2.37 5.08 -0.06 0.13 114.58 123.34 1smy h GLU 1369Ca 0.31 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1smy h GLU 1369Cb -0.09 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.02 1smy h GLU 1369CO -0.06 0.22 -0.50 0.82 -1.00 0.00 0.00 179.01 178.49 1smy h ILE 1370N 0.34 0.05 -0.48 3.13 1.08 -0.39 0.18 117.51 121.43 1smy h ILE 1370Ca 0.22 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.64 1smy h ILE 1370Cb 0.22 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.00 1smy h ILE 1370CO -0.22 0.00 0.11 0.58 -0.69 0.00 0.00 178.15 177.93 1smy h VAL 1371N -0.48 1.21 -0.10 1.67 2.07 -1.41 -2.84 116.25 116.38 1smy h VAL 1371Ca 0.07 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1smy h VAL 1371Cb 0.64 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1smy h VAL 1371CO -0.49 0.28 -0.23 0.58 0.02 0.00 0.00 177.57 177.73 1smy h VAL 1372N 0.70 0.45 -0.61 2.57 2.07 0.15 -2.33 116.25 119.24 1smy h VAL 1372Ca 0.16 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.79 1smy h VAL 1372Cb 0.27 0.45 -0.12 0.00 -1.52 0.00 0.00 31.29 30.37 1smy h VAL 1372CO -0.00 0.00 -0.26 -0.09 0.02 0.00 0.00 177.57 177.24 1smy h ARG 1373N -0.31 -0.09 0.00 1.57 2.43 -0.51 0.24 114.38 117.71 1smy h ARG 1373Ca 0.09 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1smy h ARG 1373Cb 0.44 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1smy h ARG 1373CO -0.27 -0.06 0.00 1.96 -1.51 0.00 0.00 179.97 180.08 1smy h GLN 1374N -0.10 0.00 0.00 0.20 1.08 -1.34 0.13 115.11 115.09 1smy h GLN 1374Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1smy h GLN 1374Cb 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1smy h GLN 1374CO -0.68 0.00 0.00 0.52 -0.95 0.00 0.00 178.83 177.72 1smy h MET 1375N 0.00 0.00 0.00 1.46 2.86 -0.16 -3.22 114.93 115.86 1smy h MET 1375Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1smy h MET 1375Cb 0.09 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 1smy h MET 1375CO 0.00 0.00 -0.49 -1.33 1.06 0.00 0.00 176.91 176.15 1smy n MET 1376N -3.04 1.19 -0.09 1.72 2.81 0.43 -2.67 117.12 117.48 1smy n MET 1376Ca 0.02 -2.84 0.02 0.00 -1.81 0.00 0.00 57.70 53.09 1smy n MET 1376Cb 0.37 -1.28 0.06 0.00 -0.71 0.00 0.00 33.22 31.66 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 -0.87 1.38 -4.47 0.03 2.85 -1.02 -4.84 118.16 111.23 1smy n LYS 1377Ca 0.15 -0.47 -0.21 0.00 -1.05 0.00 0.00 58.31 56.73 1smy n LYS 1377Cb 0.75 -1.24 -0.14 0.00 -0.65 0.00 0.00 35.03 33.76 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 -1.69 1.33 0.05 5.58 4.12 -1.26 -2.14 117.35 123.33 1smy s TYR 1378Ca 0.08 -0.33 -0.01 0.00 0.02 0.00 0.00 57.07 56.83 1smy s TYR 1378Cb 0.05 -0.80 -0.04 0.00 -1.52 0.00 0.00 41.96 39.65 1smy s TYR 1378CO 0.05 0.03 -0.02 0.14 0.02 0.00 0.00 175.55 175.77 1smy s VAL 1379N -0.72 0.21 0.26 0.71 -7.23 -0.72 -3.14 120.40 109.78 1smy s VAL 1379Ca 0.03 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 58.52 1smy s VAL 1379Cb -0.07 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 1smy s VAL 1379CO 0.01 -0.96 0.38 -0.70 -0.31 0.00 0.00 175.10 173.52 1smy s GLU 1380N -3.79 3.37 0.01 4.82 2.12 -0.40 -0.09 118.70 124.73 1smy s GLU 1380Ca 0.06 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 54.60 1smy s GLU 1380Cb 0.07 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 1smy s GLU 1380CO -0.10 0.35 -0.07 0.08 -0.54 0.00 0.00 175.26 174.99 1smy s VAL 1381N -2.02 3.63 0.00 3.70 1.01 -1.25 -0.59 120.40 124.87 1smy s VAL 1381Ca 0.36 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1smy s VAL 1381Cb -0.09 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1smy s VAL 1381CO 0.29 0.38 0.00 0.35 0.00 0.00 0.00 175.10 176.12 1smy n THR 1382N 1.51 0.00 -3.74 3.92 -2.24 -0.39 -2.74 114.28 110.60 1smy n THR 1382Ca -0.15 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 1smy n THR 1382Cb 0.52 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 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 -3.32 5.27 1.38 3.42 -1.08 -1.01 -4.75 116.67 116.58 1smy s ASP 1383Ca 0.00 -2.41 -0.22 0.00 -0.52 0.00 0.00 52.55 49.40 1smy s ASP 1383Cb 0.00 -1.85 0.35 0.00 -1.46 0.00 0.00 42.92 39.96 1smy s ASP 1383CO 0.00 -0.47 0.96 -2.84 0.52 0.00 0.00 175.17 173.34 1smy s PRO 1384N 0.58 -2.64 0.01 4.34 0.02 -1.26 -3.07 135.00 132.98 1smy s PRO 1384Ca 0.12 0.13 0.00 0.00 0.02 0.00 0.00 61.00 61.27 1smy s PRO 1384Cb -0.22 -1.41 0.00 0.00 0.02 0.00 0.00 34.50 32.89 1smy s PRO 1384CO -0.04 -4.68 0.00 0.41 -0.33 0.00 0.00 177.00 172.36 1smy n GLY 1385N 1.01 -0.51 1.05 0.52 0.00 -1.26 -4.73 105.19 101.26 1smy n GLY 1385Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.51 0.68 -4.65 1.61 -0.08 -1.26 -5.05 116.55 105.29 1smy n ASP 1386Ca 0.00 0.09 -0.35 0.00 -1.51 0.00 0.00 54.79 53.02 1smy n ASP 1386Cb 0.00 -0.20 -0.10 0.00 2.34 0.00 0.00 41.12 43.16 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 -5.61 5.11 1.01 1.67 0.01 -1.26 -5.09 113.70 109.53 1smy s SER 1387Ca 0.00 0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.15 1smy s SER 1387Cb 0.00 -1.45 -0.12 0.00 0.21 0.00 0.00 66.02 64.66 1smy s SER 1387CO 0.00 0.35 -0.83 0.54 0.41 0.00 0.00 173.24 173.71 1smy n ARG 1388N 2.30 -0.20 0.00 12.44 3.00 -1.26 -4.71 116.66 128.22 1smy n ARG 1388Ca -0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 57.85 57.60 1smy n ARG 1388Cb 0.53 -1.18 0.00 0.00 0.00 0.00 0.00 32.46 31.82 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 2.37 0.00 -4.33 0.55 -0.00 -1.26 -4.44 117.00 109.89 1smy n LEU 1389Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.88 1smy n LEU 1389Cb 0.63 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.94 1smy n LEU 1389CO 0.49 0.00 1.47 0.18 -0.00 0.00 0.00 177.39 179.54 1smy n LEU 1390N 0.00 -1.03 0.00 1.47 4.77 -1.11 -3.96 117.00 117.15 1smy n LEU 1390Ca 0.00 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 1smy n LEU 1390Cb 0.00 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1smy n LEU 1390CO 0.00 -1.87 0.00 -0.62 -1.33 0.00 0.00 177.39 173.57 1smy n GLU 1391N 5.76 0.00 -1.06 3.23 -0.58 -1.26 -4.95 120.64 121.78 1smy n GLU 1391Ca 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1smy n GLU 1391Cb 0.34 -0.06 0.00 0.00 -0.57 0.00 0.00 31.44 31.15 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 3.29 -1.78 3.26 0.62 0.00 -1.25 -4.91 105.19 104.42 1smy n GLY 1392Ca 0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.15 1.46 -0.33 1.61 -1.52 0.87 -4.90 119.66 116.69 1smy s GLN 1393Ca 0.00 -1.81 -0.38 0.00 -1.95 0.00 0.00 55.36 51.21 1smy s GLN 1393Cb 0.00 0.19 -0.14 0.00 -0.22 0.00 0.00 33.01 32.83 1smy s GLN 1393CO 0.00 -0.48 1.98 0.28 -0.25 0.00 0.00 175.29 176.82 1smy n VAL 1394N -0.45 0.23 -0.14 1.09 0.31 -1.26 -1.75 118.33 116.36 1smy n VAL 1394Ca 0.03 -0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.12 1smy n VAL 1394Cb 0.65 -1.33 -0.08 0.00 -0.91 0.00 0.00 33.84 32.17 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 9.62 -1.54 -1.93 7.52 7.12 -1.75 -0.70 115.31 133.64 1smy h LEU 1395Ca -0.34 0.21 -0.02 0.00 0.13 0.00 0.00 57.88 57.85 1smy h LEU 1395Cb 1.33 0.64 -0.00 0.00 -0.53 0.00 0.00 40.66 42.09 1smy h LEU 1395CO 1.00 -0.31 -0.10 -0.08 -0.13 0.00 0.00 178.44 178.82 1smy h GLU 1396N -0.29 0.00 -0.00 1.25 4.22 -1.91 0.13 114.58 117.98 1smy h GLU 1396Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1smy h GLU 1396Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1smy h GLU 1396CO -0.51 0.10 0.00 0.87 -2.18 0.00 0.00 179.01 177.29 1smy h LYS 1397N 0.00 0.00 0.00 1.92 1.57 -1.51 0.74 116.57 119.29 1smy h LYS 1397Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1smy h LYS 1397Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1smy h LYS 1397CO 0.01 0.00 -1.36 -1.49 -0.57 0.00 0.00 179.45 176.05 1smy h TRP 1398N 0.00 0.00 0.00 -1.35 4.06 -0.51 -3.19 115.95 114.96 1smy h TRP 1398Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1smy h TRP 1398Cb 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1smy h TRP 1398CO 0.00 0.71 -0.08 -0.44 -3.56 0.00 0.00 178.44 175.07 1smy h ASP 1399N 0.00 0.00 0.39 -3.49 3.32 -0.06 -1.32 116.42 115.25 1smy h ASP 1399Ca -0.17 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1smy h ASP 1399Cb 1.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.24 1smy h ASP 1399CO 0.06 0.08 -0.19 0.58 -1.72 0.00 0.00 179.24 178.06 1smy h VAL 1400N 0.00 0.29 0.13 -1.35 2.07 -1.26 -2.54 116.25 113.60 1smy h VAL 1400Ca -0.00 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1smy h VAL 1400Cb 0.27 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1smy h VAL 1400CO 0.01 0.07 -0.06 -0.33 0.02 0.00 0.00 177.57 177.27 1smy h GLU 1401N -1.04 -0.17 -0.92 1.57 4.39 -1.55 -2.44 114.58 114.42 1smy h GLU 1401Ca -0.05 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.83 1smy h GLU 1401Cb 0.51 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.09 1smy h GLU 1401CO 0.09 0.11 0.51 0.00 -1.16 0.00 0.00 179.01 178.55 1smy h ALA 1402N 0.38 1.46 0.47 3.43 0.00 -1.39 0.48 119.26 124.09 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 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1smy h ALA 1402CO 0.03 -0.08 -0.26 -0.07 0.00 0.00 0.00 179.25 178.87 1smy h LEU 1403N 0.68 -0.63 -1.29 0.00 3.38 -1.28 -2.90 115.31 113.26 1smy h LEU 1403Ca 0.52 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.45 1smy h LEU 1403Cb 0.78 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1smy h LEU 1403CO -0.38 -0.41 -0.35 0.78 0.09 0.00 0.00 178.44 178.17 1smy h ASN 1404N -0.67 0.00 0.86 -0.43 4.21 -1.18 -0.54 115.58 117.83 1smy h ASN 1404Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1smy h ASN 1404Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1smy h ASN 1404CO 0.08 0.35 0.00 -0.33 -1.29 0.00 0.00 177.43 176.24 1smy h GLU 1405N 0.00 0.00 -0.00 0.81 5.08 -0.05 0.54 114.58 120.96 1smy h GLU 1405Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1smy h GLU 1405Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1smy h GLU 1405CO 0.05 0.00 -0.05 -2.13 -1.00 0.00 0.00 179.01 175.87 1smy n ARG 1406N -2.54 5.27 -0.04 2.33 0.63 -1.03 -4.07 116.66 117.21 1smy n ARG 1406Ca 0.02 -0.10 -0.09 0.00 -0.92 0.00 0.00 57.85 56.75 1smy n ARG 1406Cb 0.26 -0.65 -0.03 0.00 0.45 0.00 0.00 32.46 32.50 1smy n ARG 1406CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1smy n LEU 1407N -0.84 0.83 -0.07 6.15 4.32 -0.24 -4.91 117.00 122.24 1smy n LEU 1407Ca 0.00 0.14 -0.05 0.00 -0.02 0.00 0.00 56.01 56.08 1smy n LEU 1407Cb 0.02 -0.33 -0.02 0.00 -1.62 0.00 0.00 43.42 41.48 1smy n LEU 1407CO 0.02 0.06 -0.36 -0.38 -1.22 0.00 0.00 177.39 175.52 1smy n ILE 1408N -3.52 1.34 -3.05 -0.08 5.41 -0.63 -4.82 119.36 114.01 1smy n ILE 1408Ca -0.17 0.23 -0.41 0.00 1.00 0.00 0.00 62.75 63.40 1smy n ILE 1408Cb 0.55 -2.34 -0.06 0.00 -0.71 0.00 0.00 39.64 37.09 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 -2.77 3.59 1.05 -1.39 0.00 0.09 -5.04 121.76 117.30 1smy s ALA 1409Ca -0.15 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 1smy s ALA 1409Cb 0.02 -3.08 0.12 0.00 0.00 0.00 0.00 23.12 20.19 1smy s ALA 1409CO 0.23 -0.75 0.59 0.39 0.00 0.00 0.00 175.76 176.21 1smy n GLU 1410N 5.55 -1.22 -1.37 0.00 4.71 -1.26 -3.66 120.64 123.39 1smy n GLU 1410Ca 0.01 -0.92 0.00 0.00 -0.01 0.00 0.00 57.16 56.24 1smy n GLU 1410Cb 0.49 -0.71 0.00 0.00 -1.01 0.00 0.00 31.44 30.21 1smy n GLU 1410CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1smy n GLY 1411N 0.06 0.73 3.34 0.62 0.00 -1.26 -4.87 105.19 103.81 1smy n GLY 1411Ca 0.08 -0.31 -0.54 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.29 0.27 -3.39 1.61 2.85 -1.26 -4.86 118.16 112.09 1smy n LYS 1412Ca 0.00 0.06 -0.37 0.00 -1.05 0.00 0.00 58.31 56.96 1smy n LYS 1412Cb 0.46 -1.77 -0.04 0.00 -0.65 0.00 0.00 35.03 33.02 1smy n LYS 1412CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1smy n THR 1413N 6.87 3.65 -1.59 0.58 -1.04 -1.26 -5.05 114.28 116.45 1smy n THR 1413Ca 0.53 -5.40 -0.54 0.00 -2.04 0.00 0.00 64.05 56.60 1smy n THR 1413Cb 0.05 -2.25 -0.07 0.00 -1.82 0.00 0.00 70.33 66.24 1smy n THR 1413CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1smy n PRO 1414N 1.71 1.17 -3.03 -2.82 -0.02 -1.26 -4.83 135.00 125.92 1smy n PRO 1414Ca 0.25 0.39 -0.45 0.00 -2.02 0.00 0.00 63.50 61.68 1smy n PRO 1414Cb 0.37 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 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 5.09 5.01 -0.23 -1.45 -7.23 -1.26 -4.73 120.40 115.59 1smy s VAL 1415Ca 1.03 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 1smy s VAL 1415Cb -0.98 -4.73 -0.02 0.00 0.56 0.00 0.00 36.38 31.21 1smy s VAL 1415CO 0.59 -1.41 1.56 0.00 -0.31 0.00 0.00 175.10 175.52 1smy s ALA 1416N 1.83 3.29 0.38 1.32 0.00 -1.17 -4.90 121.76 122.51 1smy s ALA 1416Ca 0.31 0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.76 1smy s ALA 1416Cb -0.06 -3.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 1smy s ALA 1416CO -0.08 -1.91 0.18 1.67 0.00 0.00 0.00 175.76 175.62 1smy s TRP 1417N 5.03 2.66 -0.06 0.00 -2.14 -1.26 -1.27 118.94 121.90 1smy s TRP 1417Ca 0.69 -0.48 0.04 0.00 2.66 0.00 0.00 56.10 59.00 1smy s TRP 1417Cb -0.23 -1.82 0.00 0.00 -3.10 0.00 0.00 33.47 28.31 1smy s TRP 1417CO 0.28 0.23 -0.17 0.15 -2.66 0.00 0.00 176.95 174.78 1smy s LYS 1418N -3.90 1.99 0.23 3.25 1.02 0.24 -4.93 119.74 117.65 1smy s LYS 1418Ca 0.40 -0.59 -0.31 0.00 0.02 0.00 0.00 55.97 55.50 1smy s LYS 1418Cb 0.00 -1.64 -0.11 0.00 -0.52 0.00 0.00 37.83 35.57 1smy s LYS 1418CO 0.23 0.15 1.56 -2.14 -0.92 0.00 0.00 175.35 174.24 1smy s PRO 1419N 0.32 4.19 -0.02 -1.68 0.02 -1.26 -1.27 135.00 135.29 1smy s PRO 1419Ca -0.10 2.44 0.07 0.00 0.02 0.00 0.00 61.00 63.43 1smy s PRO 1419Cb -0.14 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.27 1smy s PRO 1419CO 0.04 -0.58 -0.24 -1.17 -0.33 0.00 0.00 177.00 174.72 1smy s LEU 1420N 0.25 2.04 -0.24 -5.54 2.96 -1.19 -4.84 118.68 112.12 1smy s LEU 1420Ca 0.66 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 54.08 1smy s LEU 1420Cb -0.45 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1smy s LEU 1420CO 0.39 0.28 0.01 -0.22 -1.32 0.00 0.00 176.35 175.49 1smy s LEU 1421N -0.48 3.20 -0.02 -0.68 2.96 -1.26 -4.61 118.68 117.79 1smy s LEU 1421Ca 0.07 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1smy s LEU 1421Cb -0.10 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.78 1smy s LEU 1421CO -0.00 -0.05 -0.07 0.00 -1.32 0.00 0.00 176.35 174.91 1smy s MET 1422N 1.52 0.70 0.58 1.98 0.23 -1.09 -5.02 119.30 118.20 1smy s MET 1422Ca 0.05 -0.23 -0.20 0.00 -1.03 0.00 0.00 55.69 54.28 1smy s MET 1422Cb -0.15 -0.68 -0.04 0.00 -1.53 0.00 0.00 34.83 32.42 1smy s MET 1422CO -0.01 0.09 1.22 0.41 -2.03 0.00 0.00 175.02 174.71 1smy n GLY 1423N 3.24 0.38 0.32 3.16 0.00 -1.26 -4.45 105.19 106.59 1smy n GLY 1423Ca -0.17 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 45.94 1smy n GLY 1423CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1smy h VAL 1424N 0.97 0.15 0.50 1.61 3.04 -1.84 1.04 116.25 121.72 1smy h VAL 1424Ca -0.50 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.15 1smy h VAL 1424Cb 1.33 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.65 1smy h VAL 1424CO 0.54 0.01 -0.45 0.74 -1.01 0.00 0.00 177.57 177.41 1smy h THR 1425N 0.08 0.00 -0.10 3.17 2.02 -1.90 -2.21 112.91 113.97 1smy h THR 1425Ca 0.58 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.77 1smy h THR 1425Cb 1.21 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1smy h THR 1425CO -0.80 0.00 0.05 0.50 0.37 0.00 0.00 175.52 175.64 1smy h LYS 1426N -0.94 0.11 -0.98 6.66 3.64 -1.30 -0.43 116.57 123.32 1smy h LYS 1426Ca -0.06 -0.01 0.34 0.00 -1.27 0.00 0.00 60.65 59.65 1smy h LYS 1426Cb 0.80 -0.02 -0.18 0.00 -0.41 0.00 0.00 32.23 32.41 1smy h LYS 1426CO -0.02 0.07 0.26 0.45 -2.27 0.00 0.00 179.45 177.94 1smy n SER 1427N -5.04 0.10 0.02 4.20 2.88 0.34 -0.37 113.62 115.75 1smy n SER 1427Ca -0.05 1.65 -0.21 0.00 -1.33 0.00 0.00 58.87 58.93 1smy n SER 1427Cb 0.04 -0.70 -0.14 0.00 -0.75 0.00 0.00 64.21 62.66 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 1.96 0.12 0.00 -1.46 0.00 -1.03 -3.35 119.26 115.51 1smy h ALA 1428Ca 0.71 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1smy h ALA 1428Cb 1.69 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1smy h ALA 1428CO -0.84 0.75 0.00 1.28 0.00 0.00 0.00 179.25 180.43 1smy n LEU 1429N -3.95 0.00 -2.96 0.00 4.32 0.50 -2.86 117.00 112.06 1smy n LEU 1429Ca -0.23 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.63 1smy n LEU 1429Cb 0.89 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.68 1smy n LEU 1429CO 0.43 0.00 -0.02 -1.54 -1.22 0.00 0.00 177.39 175.04 1smy n SER 1430N -0.82 -2.10 -4.38 -1.43 3.41 -1.04 -4.97 113.62 102.29 1smy n SER 1430Ca 0.00 -2.88 -0.25 0.00 -0.26 0.00 0.00 58.87 55.48 1smy n SER 1430Cb 0.00 0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 64.83 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 2.30 0.00 0.07 6.66 -2.24 -1.13 -4.95 114.28 114.98 1smy n THR 1431Ca 0.18 -1.99 -0.06 0.00 -2.27 0.00 0.00 64.05 59.92 1smy n THR 1431Cb 0.56 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.27 -6.29 -0.78 2.10 -1.96 -3.42 116.57 105.95 1smy h LYS 1432Ca -0.33 0.02 -0.57 0.00 -2.00 0.00 0.00 60.65 57.77 1smy h LYS 1432Cb 1.10 0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 32.45 1smy h LYS 1432CO 0.54 -0.18 0.95 -1.54 -2.00 0.00 0.00 179.45 177.22 1smy s SER 1433N -3.03 6.75 0.49 7.07 1.04 -1.26 -4.91 113.70 119.85 1smy s SER 1433Ca -0.05 1.33 0.16 0.00 0.48 0.00 0.00 55.95 57.86 1smy s SER 1433Cb 0.02 -2.54 1.19 0.00 0.10 0.00 0.00 66.02 64.79 1smy s SER 1433CO 0.19 -0.99 2.09 4.11 0.98 0.00 0.00 173.24 179.63 1smy h TRP 1434N 8.96 0.14 -0.40 5.02 0.09 -1.94 -2.39 115.95 125.43 1smy h TRP 1434Ca -0.26 0.00 0.07 0.00 0.09 0.00 0.00 58.89 58.79 1smy h TRP 1434Cb 1.10 -0.05 -0.09 0.00 0.08 0.00 0.00 29.16 30.20 1smy h TRP 1434CO 0.86 0.08 -0.42 1.25 0.09 0.00 0.00 178.44 180.29 1smy h LEU 1435N 0.14 -1.41 -0.71 0.11 5.85 -1.96 0.70 115.31 118.04 1smy h LEU 1435Ca 0.09 0.22 0.08 0.00 0.84 0.00 0.00 57.88 59.11 1smy h LEU 1435Cb 0.20 0.62 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 1smy h LEU 1435CO -0.01 -0.37 0.37 -1.28 -0.34 0.00 0.00 178.44 176.81 1smy h SER 1436N -0.33 0.50 1.00 1.25 0.87 -1.80 -1.00 113.55 114.04 1smy h SER 1436Ca 0.14 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1smy h SER 1436Cb 0.58 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1smy h SER 1436CO -0.57 0.30 -0.22 0.00 -0.53 0.00 0.00 176.83 175.81 1smy h ALA 1437N 1.41 1.00 0.00 6.23 0.00 -0.91 -2.20 119.26 124.79 1smy h ALA 1437Ca 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1smy h ALA 1437Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1smy h ALA 1437CO -0.24 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1smy n ALA 1438N -2.21 2.36 0.95 0.00 0.00 0.22 -2.49 120.51 119.34 1smy n ALA 1438Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1smy n ALA 1438Cb 0.44 -1.44 0.46 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 -1.25 0.26 -4.92 0.00 7.64 -0.83 -4.58 113.62 109.94 1smy n SER 1439Ca 0.14 0.25 -0.21 0.00 1.01 0.00 0.00 58.87 60.06 1smy n SER 1439Cb 0.20 -0.25 0.05 0.00 -1.01 0.00 0.00 64.21 63.20 1smy n SER 1439CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1smy s PHE 1440N -3.02 2.33 -0.06 1.43 5.36 -1.04 -4.96 117.98 118.02 1smy s PHE 1440Ca 0.12 -0.26 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 1smy s PHE 1440Cb 0.18 -2.65 0.06 0.00 -0.34 0.00 0.00 43.02 40.27 1smy s PHE 1440CO 0.60 -1.02 1.59 0.94 -1.46 0.00 0.00 175.22 175.87 1smy n GLN 1441N -2.34 1.16 0.00 10.12 -0.06 -1.26 -2.69 117.38 122.31 1smy n GLN 1441Ca 0.11 -0.34 0.00 0.00 -2.00 0.00 0.00 57.00 54.77 1smy n GLN 1441Cb 0.60 -1.13 0.00 0.00 -4.06 0.00 0.00 30.24 25.65 1smy n GLN 1441CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1smy n ASN 1442N 0.82 0.90 -0.18 1.69 2.04 -1.26 -4.88 115.26 114.38 1smy n ASN 1442Ca 0.07 -1.28 -0.02 0.00 -0.44 0.00 0.00 54.58 52.91 1smy n ASN 1442Cb 0.57 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 1smy n ASN 1442CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1smy n THR 1443N -0.14 -0.26 -0.17 5.53 -2.24 -1.10 -1.09 114.28 114.81 1smy n THR 1443Ca 0.00 1.10 -0.05 0.00 -2.27 0.00 0.00 64.05 62.83 1smy n THR 1443Cb 0.21 -1.43 -0.04 0.00 -2.10 0.00 0.00 70.33 66.97 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 -4.66 -0.28 -0.01 4.28 -1.04 -1.26 -0.72 114.28 110.59 1smy n THR 1444Ca 0.04 1.69 -0.12 0.00 -2.04 0.00 0.00 64.05 63.61 1smy n THR 1444Cb 0.17 -2.15 -0.08 0.00 -1.82 0.00 0.00 70.33 66.45 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 0.10 -0.92 -1.42 6.17 -1.52 -2.49 115.15 115.07 1smy h HIS 1445Ca 0.07 -0.02 0.25 0.00 0.71 0.00 0.00 60.37 61.38 1smy h HIS 1445Cb 0.17 -0.03 -0.16 0.00 2.52 0.00 0.00 27.41 29.91 1smy h HIS 1445CO -0.86 0.36 0.09 0.28 0.71 0.00 0.00 177.93 178.51 1smy h VAL 1446N -0.19 0.14 0.01 5.26 2.07 -0.69 -2.08 116.25 120.77 1smy h VAL 1446Ca 0.02 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1smy h VAL 1446Cb 0.32 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1smy h VAL 1446CO 0.00 0.01 -0.12 -0.07 0.02 0.00 0.00 177.57 177.41 1smy h LEU 1447N 0.07 0.08 -0.96 2.57 4.07 -0.92 -2.46 115.31 117.76 1smy h LEU 1447Ca 0.56 -0.90 0.09 0.00 0.08 0.00 0.00 57.88 57.71 1smy h LEU 1447Cb 1.15 -0.03 -0.12 0.00 1.08 0.00 0.00 40.66 42.74 1smy h LEU 1447CO -0.81 0.98 -0.59 0.74 -1.08 0.00 0.00 178.44 177.68 1smy h THR 1448N -0.80 0.00 0.67 0.22 2.02 -0.91 0.45 112.91 114.56 1smy h THR 1448Ca -0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1smy h THR 1448Cb 1.01 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1smy h THR 1448CO 0.02 0.00 -0.45 -0.08 0.37 0.00 0.00 175.52 175.39 1smy h GLU 1449N -0.03 -1.02 -1.23 6.66 4.57 -1.55 -2.31 114.58 119.67 1smy h GLU 1449Ca 0.16 0.07 0.36 0.00 -1.18 0.00 0.00 59.36 58.76 1smy h GLU 1449Cb 0.42 0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 29.20 1smy h GLU 1449CO -0.92 -0.68 0.96 0.00 -1.18 0.00 0.00 179.01 177.19 1smy h ALA 1450N -1.21 3.14 -0.07 2.92 0.00 -0.82 -2.23 119.26 121.00 1smy h ALA 1450Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1smy h ALA 1450Cb 0.86 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1smy h ALA 1450CO 0.07 -1.60 0.00 0.00 0.00 0.00 0.00 179.25 177.72 1smy n ALA 1451N -2.69 -0.20 -0.41 0.00 0.00 0.15 -1.35 120.51 116.01 1smy n ALA 1451Ca 0.27 0.00 0.33 0.00 0.00 0.00 0.00 53.44 54.04 1smy n ALA 1451Cb 1.36 0.00 0.61 0.00 0.00 0.00 0.00 19.45 21.41 1smy n ALA 1451CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1smy h ILE 1452N 0.00 0.18 0.00 0.00 2.10 -0.88 0.66 117.51 119.58 1smy h ILE 1452Ca 0.00 -0.05 -0.08 0.00 1.08 0.00 0.00 64.86 65.81 1smy h ILE 1452Cb 0.00 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 35.74 1smy h ILE 1452CO 0.00 0.03 -0.75 0.00 -1.08 0.00 0.00 178.15 176.34 1smy h ALA 1453N 1.66 0.69 -3.43 0.18 0.00 -1.63 -3.36 119.26 113.37 1smy h ALA 1453Ca 0.78 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1smy h ALA 1453Cb 2.31 0.05 0.02 0.00 0.00 0.00 0.00 17.79 20.17 1smy h ALA 1453CO -0.45 0.48 -0.08 0.41 0.00 0.00 0.00 179.25 179.60 1smy n GLY 1454N 1.24 0.07 3.68 0.00 0.00 0.23 -2.05 105.19 108.37 1smy n GLY 1454Ca -0.01 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.13 4.37 -0.62 1.61 -0.14 -0.46 -4.75 119.74 116.62 1smy s LYS 1455Ca 0.04 1.49 -0.17 0.00 -1.36 0.00 0.00 55.97 55.98 1smy s LYS 1455Cb -0.01 -3.57 0.13 0.00 -1.68 0.00 0.00 37.83 32.70 1smy s LYS 1455CO 0.13 -0.42 0.64 0.15 -0.76 0.00 0.00 175.35 175.09 1smy s LYS 1456N 2.33 3.12 -1.12 1.68 1.02 -1.26 -2.62 119.74 122.89 1smy s LYS 1456Ca 0.51 -1.68 -0.24 0.00 0.02 0.00 0.00 55.97 54.58 1smy s LYS 1456Cb -0.20 -4.33 -0.10 0.00 -0.52 0.00 0.00 37.83 32.68 1smy s LYS 1456CO 0.17 -1.42 1.97 0.34 -0.92 0.00 0.00 175.35 175.49 1smy s ASP 1457N 3.41 4.80 -0.14 2.83 -1.08 0.37 -4.81 116.67 122.05 1smy s ASP 1457Ca 0.09 -1.37 -0.30 0.00 -0.52 0.00 0.00 52.55 50.45 1smy s ASP 1457Cb -0.24 -2.58 -0.08 0.00 -1.46 0.00 0.00 42.92 38.56 1smy s ASP 1457CO 0.02 -3.28 2.11 -0.62 0.52 0.00 0.00 175.17 173.92 1smy n GLU 1458N 8.37 2.18 -1.98 4.34 -0.58 -1.26 -3.65 120.64 128.06 1smy n GLU 1458Ca 0.44 0.69 -0.39 0.00 -0.42 0.00 0.00 57.16 57.48 1smy n GLU 1458Cb 0.47 -3.04 -0.03 0.00 -0.57 0.00 0.00 31.44 28.27 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 6.64 3.35 -0.02 -4.62 1.43 -1.23 -4.69 118.68 119.55 1smy s LEU 1459Ca 0.97 0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 54.66 1smy s LEU 1459Cb -0.45 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 1smy s LEU 1459CO 0.40 -2.28 -0.10 -0.38 0.23 0.00 0.00 176.35 174.23 1smy n ILE 1460N 7.34 0.86 -0.23 -0.59 5.41 -1.26 -4.98 119.36 125.91 1smy n ILE 1460Ca 0.23 0.27 -0.30 0.00 1.00 0.00 0.00 62.75 63.94 1smy n ILE 1460Cb 0.51 -1.67 0.29 0.00 -0.71 0.00 0.00 39.64 38.06 1smy n ILE 1460CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1smy n GLY 1461N 2.60 -3.96 0.05 7.39 0.00 -1.26 -4.77 105.19 105.24 1smy n GLY 1461Ca -0.04 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 1smy n GLY 1461CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1smy h LEU 1462N 0.00 0.00 -0.70 0.99 3.38 -1.88 -3.31 115.31 113.79 1smy h LEU 1462Ca -0.38 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.68 1smy h LEU 1462Cb 1.30 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.94 1smy h LEU 1462CO 0.23 0.52 -0.30 1.17 0.09 0.00 0.00 178.44 180.15 1smy n LYS 1463N -3.97 -0.19 0.34 1.13 4.81 -1.26 0.10 118.16 119.12 1smy n LYS 1463Ca -0.04 1.07 -0.18 0.00 -0.87 0.00 0.00 58.31 58.29 1smy n LYS 1463Cb 0.17 -1.58 -0.09 0.00 0.02 0.00 0.00 35.03 33.54 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 -0.93 0.00 1.64 4.11 -1.92 -2.59 114.58 114.88 1smy h GLU 1464Ca 0.22 0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1smy h GLU 1464Cb 0.39 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1smy h GLU 1464CO -0.68 -0.62 0.00 -1.71 0.07 0.00 0.00 179.01 176.07 1smy n ASN 1465N -5.53 0.22 0.00 3.06 2.85 0.12 -2.52 115.26 113.46 1smy n ASN 1465Ca -0.13 0.60 -0.16 0.00 -0.11 0.00 0.00 54.58 54.79 1smy n ASN 1465Cb 0.42 -0.63 -0.14 0.00 1.24 0.00 0.00 39.78 40.67 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 0.77 -0.90 3.44 2.07 -0.45 -2.97 116.25 118.21 1smy h VAL 1466Ca 0.00 -2.54 0.15 0.00 0.82 0.00 0.00 66.70 65.13 1smy h VAL 1466Cb 0.00 2.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 1smy h VAL 1466CO 0.00 0.72 0.58 0.40 0.02 0.00 0.00 177.57 179.29 1smy h ILE 1467N 0.04 0.81 0.00 4.57 2.04 -1.44 1.47 117.51 125.00 1smy h ILE 1467Ca -0.35 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1smy h ILE 1467Cb 2.02 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1smy h ILE 1467CO 0.09 0.12 0.00 -0.11 0.00 0.00 0.00 178.15 178.26 1smy n LEU 1468N -4.57 0.08 -1.16 1.44 0.00 -1.25 -4.82 117.00 106.72 1smy n LEU 1468Ca 0.18 0.52 -0.14 0.00 0.00 0.00 0.00 56.01 56.57 1smy n LEU 1468Cb 0.49 -0.51 -0.05 0.00 0.00 0.00 0.00 43.42 43.35 1smy n LEU 1468CO 0.29 -0.27 -0.14 0.61 0.00 0.00 0.00 177.39 177.88 1smy n GLY 1469N 0.09 1.26 3.89 -3.96 0.00 0.50 -4.97 105.19 101.99 1smy n GLY 1469Ca 0.04 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.39 2.88 0.50 1.61 3.52 -1.12 -5.02 118.95 117.92 1smy s ARG 1470Ca 0.00 0.44 -0.23 0.00 -0.13 0.00 0.00 55.73 55.81 1smy s ARG 1470Cb 0.00 -2.04 -0.06 0.00 -1.56 0.00 0.00 34.95 31.29 1smy s ARG 1470CO 0.00 -1.00 1.30 -1.17 -0.81 0.00 0.00 175.30 173.62 1smy s LEU 1471N -5.33 3.96 -0.12 -0.88 2.96 -1.26 -4.70 118.68 113.31 1smy s LEU 1471Ca 0.58 2.64 -0.29 0.00 -0.22 0.00 0.00 54.13 56.83 1smy s LEU 1471Cb -0.11 -4.19 -0.04 0.00 0.50 0.00 0.00 46.19 42.35 1smy s LEU 1471CO 0.51 -1.27 1.62 -0.63 -1.32 0.00 0.00 176.35 175.26 1smy s ILE 1472N -1.36 3.67 -2.00 6.68 -1.09 -1.26 -4.88 121.20 120.95 1smy s ILE 1472Ca 0.67 0.79 0.04 0.00 -2.23 0.00 0.00 60.65 59.92 1smy s ILE 1472Cb -0.37 -3.57 0.12 0.00 -1.58 0.00 0.00 42.46 37.06 1smy s ILE 1472CO 0.45 -0.14 0.65 -2.65 -1.23 0.00 0.00 174.94 172.02 1smy n PRO 1473N 7.28 0.18 -0.02 2.79 -0.02 -1.26 -2.75 135.00 141.20 1smy n PRO 1473Ca 0.18 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.61 1smy n PRO 1473Cb 0.44 -1.37 -0.01 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.87 1.99 -1.00 3.55 0.00 -1.26 -4.07 120.51 118.85 1smy n ALA 1474Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1smy n ALA 1474Cb 0.01 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 2.53 -2.60 0.29 0.00 0.00 -1.24 -3.53 105.19 100.63 1smy n GLY 1475Ca -0.07 -0.37 0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 0.30 0.00 2.61 2.02 -1.86 0.58 112.91 116.56 1smy h THR 1476Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1smy h THR 1476Cb 0.00 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1smy h THR 1476CO 0.00 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.56 1smy n GLY 1477N -0.62 -0.59 3.66 2.16 0.00 -1.11 -3.19 105.19 105.50 1smy n GLY 1477Ca -0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1smy n GLY 1477CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1smy s SER 1478N -1.86 6.45 0.00 1.61 1.04 0.19 -4.36 113.70 116.77 1smy s SER 1478Ca 0.22 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.32 1smy s SER 1478Cb 0.10 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.69 1smy s SER 1478CO 0.17 -1.04 0.81 0.47 0.98 0.00 0.00 173.24 174.63 1smy n ASP 1479N 7.29 0.00 -0.02 7.02 10.43 -1.26 0.53 116.55 140.54 1smy n ASP 1479Ca 0.20 0.31 -0.18 0.00 2.57 0.00 0.00 54.79 57.69 1smy n ASP 1479Cb 0.41 -0.31 -0.07 0.00 1.84 0.00 0.00 41.12 42.98 1smy n ASP 1479CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 1smy h PHE 1480N 0.00 1.07 0.00 1.24 3.57 -1.90 -3.38 116.94 117.54 1smy h PHE 1480Ca 0.00 -0.48 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1smy h PHE 1480Cb 0.38 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1smy h PHE 1480CO 0.00 1.32 -1.21 0.28 -2.23 0.00 0.00 178.31 176.46 1smy n VAL 1481N -3.94 0.00 -0.44 1.41 0.31 0.19 -4.63 118.33 111.22 1smy n VAL 1481Ca -0.08 -0.20 0.38 0.00 -0.01 0.00 0.00 64.34 64.44 1smy n VAL 1481Cb 0.75 0.42 0.66 0.00 -0.91 0.00 0.00 33.84 34.76 1smy n VAL 1481CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1smy h ARG 1482N 0.00 0.02 -4.55 5.55 3.08 -0.94 -3.24 114.38 114.30 1smy h ARG 1482Ca 0.00 -0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 1smy h ARG 1482Cb 0.33 -0.01 -0.29 0.00 0.08 0.00 0.00 29.97 30.09 1smy h ARG 1482CO 0.00 0.02 -0.53 -0.06 -1.07 0.00 0.00 179.97 178.32 1smy s PHE 1483N -5.32 3.32 -0.29 3.04 0.40 -1.26 -5.03 117.98 112.83 1smy s PHE 1483Ca -0.08 -1.53 -0.12 0.00 -0.60 0.00 0.00 56.93 54.60 1smy s PHE 1483Cb 0.31 -2.68 0.11 0.00 0.51 0.00 0.00 43.02 41.28 1smy s PHE 1483CO 0.82 -0.80 0.66 0.99 0.70 0.00 0.00 175.22 177.59 1smy s THR 1484N 1.40 -0.67 0.20 0.64 2.01 -1.23 -5.03 115.64 112.96 1smy s THR 1484Ca 0.02 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.08 1smy s THR 1484Cb -0.21 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1smy s THR 1484CO 0.02 0.00 0.12 -1.10 -0.69 0.00 0.00 174.62 172.97 1smy s GLN 1485N 2.48 2.79 0.16 4.92 -0.21 -1.26 -5.13 119.66 123.40 1smy s GLN 1485Ca -0.07 -1.00 0.11 0.00 0.02 0.00 0.00 55.36 54.41 1smy s GLN 1485Cb -0.10 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 1smy s GLN 1485CO -0.19 0.44 -0.24 0.08 -2.12 0.00 0.00 175.29 173.26 1smy s VAL 1486N -1.91 2.40 0.18 1.09 1.01 -1.26 -5.16 120.40 116.75 1smy s VAL 1486Ca 0.31 -1.83 -0.06 0.00 0.00 0.00 0.00 61.98 60.40 1smy s VAL 1486Cb -0.09 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1smy s VAL 1486CO 0.23 0.00 0.22 -0.69 0.00 0.00 0.00 175.10 174.87 1smy s VAL 1487N -1.33 0.05 -0.04 2.92 1.01 -1.26 -5.14 120.40 116.61 1smy s VAL 1487Ca 0.17 -1.66 0.06 0.00 0.00 0.00 0.00 61.98 60.55 1smy s VAL 1487Cb -0.09 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1smy s VAL 1487CO 0.08 -0.21 -0.21 -1.81 0.00 0.00 0.00 175.10 172.95 1smy s ASP 1488N -3.04 2.51 0.56 3.32 1.01 -1.26 -5.02 116.67 114.75 1smy s ASP 1488Ca 0.25 -0.40 0.34 0.00 0.71 0.00 0.00 52.55 53.45 1smy s ASP 1488Cb 0.05 -0.53 1.48 0.00 1.01 0.00 0.00 42.92 44.93 1smy s ASP 1488CO 0.05 0.22 1.78 1.56 0.21 0.00 0.00 175.17 178.98 1smy h GLN 1489N 5.95 0.00 0.13 8.23 1.08 -2.02 0.77 115.11 129.25 1smy h GLN 1489Ca -0.35 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.84 1smy h GLN 1489Cb 1.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1smy h GLN 1489CO 0.48 0.00 -0.06 0.87 -0.95 0.00 0.00 178.83 179.17 1smy h LYS 1490N 0.00 -0.16 0.00 1.46 1.57 -2.01 -3.02 116.57 114.41 1smy h LYS 1490Ca 0.49 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.21 1smy h LYS 1490Cb 2.11 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.45 1smy h LYS 1490CO -0.01 0.23 -0.30 1.79 -0.57 0.00 0.00 179.45 180.60 1smy h THR 1491N -0.60 1.16 -0.72 -0.16 1.35 -1.36 -2.78 112.91 109.80 1smy h THR 1491Ca -0.02 -1.04 0.03 0.00 -0.55 0.00 0.00 66.41 64.83 1smy h THR 1491Cb 0.47 1.57 -0.04 0.00 -1.73 0.00 0.00 68.15 68.41 1smy h THR 1491CO 0.03 0.29 0.45 0.25 -0.25 0.00 0.00 175.52 176.29 1smy h LEU 1492N 0.00 0.75 -0.47 3.87 7.12 -0.94 -1.72 115.31 123.93 1smy h LEU 1492Ca -0.00 -0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.84 1smy h LEU 1492Cb 0.54 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1smy h LEU 1492CO 0.04 0.52 -0.59 0.11 -0.13 0.00 0.00 178.44 178.39 1smy h LYS 1493N 0.89 0.56 -0.54 1.25 1.79 -1.39 -3.19 116.57 115.95 1smy h LYS 1493Ca 0.29 -0.38 0.08 0.00 -2.18 0.00 0.00 60.65 58.47 1smy h LYS 1493Cb 0.02 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.65 1smy h LYS 1493CO -0.11 0.99 0.18 0.00 -1.08 0.00 0.00 179.45 179.43 1smy h ALA 1494N 0.93 0.67 -0.03 3.86 0.00 -1.07 -1.62 119.26 122.01 1smy h ALA 1494Ca -0.00 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1smy h ALA 1494Cb 1.15 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1smy h ALA 1494CO 0.11 -0.22 -0.73 0.97 0.00 0.00 0.00 179.25 179.38 1smy h ILE 1495N 0.35 1.45 -0.09 0.00 6.09 -1.43 -2.58 117.51 121.30 1smy h ILE 1495Ca 0.27 -2.31 -0.05 0.00 -1.37 0.00 0.00 64.86 61.40 1smy h ILE 1495Cb 0.32 2.24 -0.01 0.00 0.47 0.00 0.00 36.82 39.84 1smy h ILE 1495CO -0.29 0.67 -0.18 -0.08 -3.07 0.00 0.00 178.15 175.21 1smy h GLU 1496N 0.11 0.15 0.00 2.19 4.57 -1.45 0.16 114.58 120.31 1smy h GLU 1496Ca -0.02 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 1smy h GLU 1496Cb 1.29 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1smy h GLU 1496CO 0.11 0.33 -0.36 0.93 -1.18 0.00 0.00 179.01 178.84 1smy h GLU 1497N 0.14 0.00 -0.08 1.92 3.07 -1.00 0.26 114.58 118.89 1smy h GLU 1497Ca 0.03 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.76 1smy h GLU 1497Cb 0.40 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1smy h GLU 1497CO 0.03 0.36 -0.53 0.00 -1.40 0.00 0.00 179.01 177.47 1smy h ALA 1498N 1.64 0.97 0.13 3.43 0.00 -0.61 -2.63 119.26 122.20 1smy h ALA 1498Ca -0.00 -0.49 -0.28 0.00 0.00 0.00 0.00 54.91 54.14 1smy h ALA 1498Cb 0.74 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1smy h ALA 1498CO 0.05 0.67 -1.23 0.00 0.00 0.00 0.00 179.25 178.74 1smy h ARG 1499N 0.17 0.35 -0.22 0.00 3.08 -0.63 -3.26 114.38 113.86 1smy h ARG 1499Ca 0.00 -0.55 0.01 0.00 0.07 0.00 0.00 59.98 59.51 1smy h ARG 1499Cb 0.98 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1smy h ARG 1499CO 0.08 1.24 0.15 0.87 -1.07 0.00 0.00 179.97 181.24 1smy h LYS 1500N 0.12 0.28 0.00 0.04 1.57 -0.35 -1.13 116.57 117.10 1smy h LYS 1500Ca -0.15 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1smy h LYS 1500Cb 1.94 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 34.18 1smy h LYS 1500CO 0.21 0.18 -0.10 0.93 -0.57 0.00 0.00 179.45 180.11 1smy h GLU 1501N 0.29 0.00 -0.01 3.15 5.08 -1.51 -3.09 114.58 118.49 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 -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1smy h GLU 1501CO -0.02 0.10 0.02 0.00 -1.00 0.00 0.00 179.01 178.11 1smy h ALA 1502N 1.90 1.21 -1.90 3.43 0.00 -1.28 -3.41 119.26 119.21 1smy h ALA 1502Ca -0.00 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1smy h ALA 1502Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1smy h ALA 1502CO 0.01 -0.03 1.27 0.08 0.00 0.00 0.00 179.25 180.59 1smy s VAL 1503N -4.31 3.47 0.00 0.00 1.01 -1.17 -4.95 120.40 114.45 1smy s VAL 1503Ca -0.05 0.48 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 1smy s VAL 1503Cb 0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1smy s VAL 1503CO 0.45 -0.37 0.91 -1.61 0.00 0.00 0.00 175.10 174.48 1smy s GLU 1504N 5.57 4.55 0.00 2.72 0.41 -1.26 -5.13 118.70 125.55 1smy s GLU 1504Ca 0.80 1.30 0.00 0.00 -0.41 0.00 0.00 54.97 56.67 1smy s GLU 1504Cb -0.24 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.67 1smy s GLU 1504CO 0.34 0.02 0.00 0.00 -0.49 0.00 0.00 175.26 175.13