#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smy s GLU 2 N 0.00 2.59 -0.24 3.17 2.02 -1.22 -4.89 118.70 120.12 1smy s GLU 2 Ca 0.00 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.10 1smy s GLU 2 Cb 0.00 -2.52 0.06 0.00 0.10 0.00 0.00 34.13 31.77 1smy s GLU 2 CO 0.00 0.51 -0.09 0.42 0.02 0.00 0.00 175.26 176.11 1smy s ILE 3 N -1.50 1.90 -0.08 -1.63 -1.09 -1.24 0.07 121.20 117.64 1smy s ILE 3 Ca 0.27 -1.41 0.03 0.00 -2.23 0.00 0.00 60.65 57.31 1smy s ILE 3 Cb -0.11 -2.05 -0.02 0.00 -1.58 0.00 0.00 42.46 38.70 1smy s ILE 3 CO 0.19 -0.01 -0.15 -0.75 -1.23 0.00 0.00 174.94 172.99 1smy s LYS 4 N 1.23 2.82 0.34 2.79 2.20 -1.15 -4.98 119.74 122.99 1smy s LYS 4 Ca -0.07 -0.72 0.10 0.00 -0.36 0.00 0.00 55.97 54.92 1smy s LYS 4 Cb -0.19 -2.44 -0.06 0.00 -1.51 0.00 0.00 37.83 33.63 1smy s LYS 4 CO -0.06 0.45 -0.09 -0.98 -0.36 0.00 0.00 175.35 174.31 1smy s ARG 5 N -0.28 1.85 0.26 4.03 1.70 -1.26 -1.16 118.95 124.09 1smy s ARG 5 Ca 0.02 -1.90 0.02 0.00 -0.47 0.00 0.00 55.73 53.40 1smy s ARG 5 Cb -0.13 -1.74 -0.01 0.00 -0.57 0.00 0.00 34.95 32.50 1smy s ARG 5 CO 0.03 0.16 0.08 1.19 -1.08 0.00 0.00 175.30 175.67 1smy n PHE 6 N -0.80 0.17 -1.68 5.89 3.01 -0.90 -4.95 117.46 118.19 1smy n PHE 6 Ca -0.05 -1.59 0.00 0.00 1.01 0.00 0.00 57.45 56.82 1smy n PHE 6 Cb 0.63 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 1smy n PHE 6 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1smy n GLY 7 N 0.54 -4.88 2.54 1.37 0.00 -1.25 -4.56 105.19 98.95 1smy n GLY 7 Ca -0.05 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 1smy n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1smy s ARG 8 N -2.39 0.59 -0.53 1.61 3.52 -1.26 -4.85 118.95 115.64 1smy s ARG 8 Ca 0.00 -1.22 0.02 0.00 -0.13 0.00 0.00 55.73 54.39 1smy s ARG 8 Cb 0.00 -1.47 0.14 0.00 -1.56 0.00 0.00 34.95 32.05 1smy s ARG 8 CO 0.00 -1.14 0.29 0.96 -0.81 0.00 0.00 175.30 174.60 1smy s ILE 9 N 1.25 2.92 -0.76 4.11 -4.36 -1.26 -5.02 121.20 118.08 1smy s ILE 9 Ca 0.15 -3.05 -0.09 0.00 -0.26 0.00 0.00 60.65 57.40 1smy s ILE 9 Cb -0.21 -2.99 -0.24 0.00 1.25 0.00 0.00 42.46 40.26 1smy s ILE 9 CO -0.10 -0.80 1.68 0.54 0.24 0.00 0.00 174.94 176.51 1smy n ARG 10 N 3.41 0.00 -1.60 0.37 5.12 -1.26 -4.69 116.66 118.01 1smy n ARG 10 Ca 0.05 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.83 1smy n ARG 10 Cb 0.35 -0.81 -0.08 0.00 -1.16 0.00 0.00 32.46 30.76 1smy n ARG 10 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1smy s GLU 11 N 5.49 1.50 0.37 5.56 2.02 -1.26 -4.77 118.70 127.62 1smy s GLU 11 Ca 1.00 0.16 0.14 0.00 0.02 0.00 0.00 54.97 56.29 1smy s GLU 11 Cb -0.68 -4.86 0.98 0.00 0.10 0.00 0.00 34.13 29.67 1smy s GLU 11 CO 0.42 -4.76 1.80 -0.24 0.02 0.00 0.00 175.26 172.50 1smy h VAL 12 N 7.35 0.63 -3.55 2.63 3.04 -1.86 -3.41 116.25 121.08 1smy h VAL 12 Ca 0.01 -0.18 -0.28 0.00 -1.01 0.00 0.00 66.70 65.24 1smy h VAL 12 Cb 1.00 0.07 -0.33 0.00 -2.01 0.00 0.00 31.29 30.02 1smy h VAL 12 CO 1.02 0.09 -0.72 0.27 -1.01 0.00 0.00 177.57 177.22 1smy s ILE 13 N -5.58 -0.05 0.96 3.17 -4.36 -1.26 -5.06 121.20 109.02 1smy s ILE 13 Ca -0.09 0.17 -0.11 0.00 -0.26 0.00 0.00 60.65 60.36 1smy s ILE 13 Cb 0.24 -0.07 0.17 0.00 1.25 0.00 0.00 42.46 44.05 1smy s ILE 13 CO 0.79 0.07 1.13 -2.84 0.24 0.00 0.00 174.94 174.33 1smy s PRO 14 N 0.86 0.64 0.90 0.37 0.02 -1.26 -4.97 135.00 131.56 1smy s PRO 14 Ca -0.07 1.43 -0.12 0.00 0.02 0.00 0.00 61.00 62.26 1smy s PRO 14 Cb -0.10 -1.69 0.08 0.00 0.02 0.00 0.00 34.50 32.81 1smy s PRO 14 CO -0.02 -2.85 0.85 1.28 -0.33 0.00 0.00 177.00 175.92 1smy n LEU 15 N -4.37 2.06 -4.97 -5.54 7.99 -1.26 -5.01 117.00 105.89 1smy n LEU 15 Ca 0.10 0.43 -0.25 0.00 -0.01 0.00 0.00 56.01 56.28 1smy n LEU 15 Cb 0.52 -1.37 0.11 0.00 -0.11 0.00 0.00 43.42 42.57 1smy n LEU 15 CO 0.51 -2.68 0.60 -2.16 -1.51 0.00 0.00 177.39 172.14 1smy s PRO 16 N -4.06 1.68 -0.29 3.23 0.05 -1.26 -4.93 135.00 129.42 1smy s PRO 16 Ca 0.64 -0.80 -0.28 0.00 0.05 0.00 0.00 61.00 60.62 1smy s PRO 16 Cb -0.24 -2.23 -0.05 0.00 0.05 0.00 0.00 34.50 32.03 1smy s PRO 16 CO 0.60 -1.50 2.19 -2.14 0.05 0.00 0.00 177.00 176.21 1smy s PRO 17 N -5.25 2.96 0.28 0.56 0.02 -1.26 -4.77 135.00 127.53 1smy s PRO 17 Ca 0.66 1.81 0.16 0.00 0.02 0.00 0.00 61.00 63.64 1smy s PRO 17 Cb -0.07 -4.39 0.85 0.00 0.02 0.00 0.00 34.50 30.92 1smy s PRO 17 CO 0.45 -2.30 1.43 1.28 -0.33 0.00 0.00 177.00 177.53 1smy n LEU 18 N 12.30 0.41 -0.36 -5.54 4.32 -1.26 -0.33 117.00 126.54 1smy n LEU 18 Ca 0.30 0.64 0.05 0.00 -0.02 0.00 0.00 56.01 56.98 1smy n LEU 18 Cb 0.47 -0.66 0.03 0.00 -1.62 0.00 0.00 43.42 41.64 1smy n LEU 18 CO 0.67 -0.78 0.38 0.41 -1.22 0.00 0.00 177.39 176.85 1smy n THR 19 N -2.07 0.00 -0.32 -5.08 -1.04 -1.26 -4.66 114.28 99.85 1smy n THR 19 Ca -0.01 -0.49 0.30 0.00 -2.04 0.00 0.00 64.05 61.81 1smy n THR 19 Cb 0.14 1.18 0.56 0.00 -1.82 0.00 0.00 70.33 70.39 1smy n THR 19 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1smy h GLU 20 N 1.74 0.00 0.03 -2.82 4.22 -1.05 0.11 114.58 116.81 1smy h GLU 20 Ca 0.00 -0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.47 1smy h GLU 20 Cb 0.38 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1smy h GLU 20 CO 0.00 0.00 -0.29 0.82 -2.18 0.00 0.00 179.01 177.36 1smy h ILE 21 N 0.00 0.36 0.09 2.32 5.03 -1.83 0.66 117.51 124.14 1smy h ILE 21 Ca 0.83 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 65.56 1smy h ILE 21 Cb 2.15 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 36.30 1smy h ILE 21 CO -0.78 0.00 -0.04 1.56 -0.68 0.00 0.00 178.15 178.20 1smy h GLN 22 N -0.45 -0.11 0.00 2.37 1.08 -1.18 -3.13 115.11 113.69 1smy h GLN 22 Ca 0.05 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1smy h GLN 22 Cb 0.52 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1smy h GLN 22 CO -0.23 0.39 0.00 0.28 -0.95 0.00 0.00 178.83 178.33 1smy n VAL 23 N -4.88 0.00 -0.26 -0.54 0.31 -0.39 -2.13 118.33 110.45 1smy n VAL 23 Ca -0.08 1.11 -0.04 0.00 -0.01 0.00 0.00 64.34 65.32 1smy n VAL 23 Cb 0.28 -1.87 0.02 0.00 -0.91 0.00 0.00 33.84 31.36 1smy n VAL 23 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1smy h GLU 24 N 0.00 -0.10 -0.87 5.55 4.39 -1.05 0.25 114.58 122.74 1smy h GLU 24 Ca 0.00 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.86 1smy h GLU 24 Cb 0.00 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.58 1smy h GLU 24 CO 0.00 -0.07 0.46 1.03 -1.16 0.00 0.00 179.01 179.28 1smy h SER 25 N -0.11 0.57 0.28 1.42 0.87 -1.58 0.26 113.55 115.26 1smy h SER 25 Ca 0.27 0.09 -0.16 0.00 -1.23 0.00 0.00 61.79 60.76 1smy h SER 25 Cb 0.57 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1smy h SER 25 CO -0.78 0.24 -0.65 0.22 -0.53 0.00 0.00 176.83 175.33 1smy h TYR 26 N 0.65 0.46 0.42 2.24 3.20 -0.47 0.46 116.97 123.93 1smy h TYR 26 Ca 0.48 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1smy h TYR 26 Cb 0.68 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1smy h TYR 26 CO -0.08 0.90 -0.40 -0.09 -1.64 0.00 0.00 178.16 176.85 1smy h ARG 27 N 0.25 -0.79 -0.42 1.82 2.43 0.86 -0.40 114.38 118.13 1smy h ARG 27 Ca -0.01 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1smy h ARG 27 Cb 1.19 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 1smy h ARG 27 CO 0.11 -0.52 0.20 0.00 -1.51 0.00 0.00 179.97 178.24 1smy h ARG 28 N -0.82 0.58 0.23 0.20 -0.00 -1.13 -2.94 114.38 110.50 1smy h ARG 28 Ca -0.05 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.36 1smy h ARG 28 Cb 0.70 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.54 1smy h ARG 28 CO -0.04 0.46 -0.32 0.00 0.00 0.00 0.00 179.97 180.08 1smy h ALA 29 N 1.63 -0.94 -2.88 0.04 0.00 -0.38 -3.32 119.26 113.41 1smy h ALA 29 Ca 0.15 -0.10 -0.77 0.00 0.00 0.00 0.00 54.91 54.19 1smy h ALA 29 Cb 0.07 0.61 -0.28 0.00 0.00 0.00 0.00 17.79 18.19 1smy h ALA 29 CO -0.02 -0.98 0.02 -0.48 0.00 0.00 0.00 179.25 177.79 1smy s LEU 30 N -7.98 6.36 -0.74 0.00 2.34 -0.21 -2.19 118.68 116.27 1smy s LEU 30 Ca -0.11 -2.85 -0.15 0.00 0.06 0.00 0.00 54.13 51.08 1smy s LEU 30 Cb 0.03 -2.12 -0.12 0.00 -0.56 0.00 0.00 46.19 43.41 1smy s LEU 30 CO 0.37 -0.49 1.92 1.67 -1.06 0.00 0.00 176.35 178.76 1smy n GLN 31 N 3.69 1.54 -0.02 1.48 0.00 -1.20 -4.56 117.38 118.31 1smy n GLN 31 Ca 0.14 -1.58 -0.01 0.00 -0.00 0.00 0.00 57.00 55.55 1smy n GLN 31 Cb 0.44 -2.67 -0.00 0.00 0.00 0.00 0.00 30.24 28.00 1smy n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1smy h ALA 32 N 7.44 0.00 -1.46 1.69 0.00 -1.93 -3.39 119.26 121.61 1smy h ALA 32 Ca 0.41 -0.23 0.42 0.00 0.00 0.00 0.00 54.91 55.52 1smy h ALA 32 Cb 0.45 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1smy h ALA 32 CO 1.73 0.10 1.26 0.22 0.00 0.00 0.00 179.25 182.56 1smy h ASP 33 N -0.30 0.00 -2.89 0.00 3.58 -1.95 -3.38 116.42 111.48 1smy h ASP 33 Ca 0.00 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.81 1smy h ASP 33 Cb 0.10 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.09 1smy h ASP 33 CO 0.00 0.00 -0.52 0.68 -2.88 0.00 0.00 179.24 176.52 1smy s VAL 34 N -4.68 5.22 0.82 2.25 -7.23 -1.26 -5.09 120.40 110.43 1smy s VAL 34 Ca -0.04 -0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 59.78 1smy s VAL 34 Cb 0.21 -3.43 0.09 0.00 0.56 0.00 0.00 36.38 33.81 1smy s VAL 34 CO 0.70 0.33 1.15 -2.84 -0.31 0.00 0.00 175.10 174.12 1smy s PRO 35 N -1.88 1.70 0.61 4.82 0.02 -1.26 -4.87 135.00 134.14 1smy s PRO 35 Ca 0.26 1.50 0.31 0.00 0.02 0.00 0.00 61.00 63.08 1smy s PRO 35 Cb -0.12 -1.81 1.71 0.00 0.02 0.00 0.00 34.50 34.30 1smy s PRO 35 CO 0.17 -2.12 2.06 -1.35 -0.33 0.00 0.00 177.00 175.44 1smy h PRO 36 N -1.20 0.00 -0.89 5.54 0.11 -1.90 0.05 132.00 133.72 1smy h PRO 36 Ca -0.44 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1smy h PRO 36 Cb 1.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 1smy h PRO 36 CO 0.47 0.00 0.57 1.49 -0.21 0.00 0.00 178.00 180.32 1smy h GLU 37 N 0.00 1.07 -6.67 1.05 4.57 -1.99 -3.43 114.58 109.18 1smy h GLU 37 Ca 0.08 -0.06 -0.55 0.00 -1.18 0.00 0.00 59.36 57.65 1smy h GLU 37 Cb 0.58 -0.24 0.20 0.00 -0.16 0.00 0.00 28.75 29.13 1smy h GLU 37 CO -0.00 0.71 -0.55 1.63 -1.18 0.00 0.00 179.01 179.62 1smy n LYS 38 N -4.54 0.05 0.08 1.92 4.76 0.00 -4.95 118.16 115.48 1smy n LYS 38 Ca 0.12 0.06 -0.19 0.00 -2.87 0.00 0.00 58.31 55.43 1smy n LYS 38 Cb 0.11 -1.79 -0.15 0.00 -1.84 0.00 0.00 35.03 31.37 1smy n LYS 38 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1smy h ARG 39 N -0.87 0.32 -5.69 1.97 9.65 -1.87 -3.45 114.38 114.43 1smy h ARG 39 Ca -0.45 -0.54 -0.56 0.00 -1.10 0.00 0.00 59.98 57.33 1smy h ARG 39 Cb 1.32 0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 30.09 1smy h ARG 39 CO 0.38 1.21 1.56 0.39 2.80 0.00 0.00 179.97 186.31 1smy n GLU 40 N -3.52 1.01 -0.15 0.20 1.02 -1.26 -4.79 120.64 113.15 1smy n GLU 40 Ca -0.18 0.17 0.05 0.00 -0.02 0.00 0.00 57.16 57.18 1smy n GLU 40 Cb 1.06 -2.76 0.12 0.00 -0.02 0.00 0.00 31.44 29.84 1smy n GLU 40 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1smy n ASN 41 N 12.36 2.73 -2.79 1.62 2.04 -1.26 -4.85 115.26 125.10 1smy n ASN 41 Ca 0.42 -2.33 -0.07 0.00 -0.44 0.00 0.00 54.58 52.16 1smy n ASN 41 Cb 0.34 -0.24 0.06 0.00 -2.53 0.00 0.00 39.78 37.41 1smy n ASN 41 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1smy n VAL 42 N -0.26 0.00 0.00 3.53 0.31 -1.26 0.31 118.33 120.96 1smy n VAL 42 Ca 0.10 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1smy n VAL 42 Cb 0.48 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 1smy n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1smy n GLY 43 N 0.48 3.21 0.20 2.92 0.00 -1.26 -2.67 105.19 108.07 1smy n GLY 43 Ca 0.04 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1smy n GLY 43 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1smy h ILE 44 N 0.00 0.00 -0.89 -0.61 5.03 -1.75 1.08 117.51 120.36 1smy h ILE 44 Ca 0.00 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.93 1smy h ILE 44 Cb 0.00 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 33.72 1smy h ILE 44 CO 0.00 0.00 0.59 -0.61 -0.68 0.00 0.00 178.15 177.45 1smy h GLN 45 N -0.27 0.43 0.58 2.37 4.15 -1.72 0.72 115.11 121.38 1smy h GLN 45 Ca 0.01 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1smy h GLN 45 Cb 0.30 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 27.90 1smy h GLN 45 CO -0.17 0.29 -0.28 0.00 -1.93 0.00 0.00 178.83 176.74 1smy h ALA 46 N 1.61 -0.79 -0.94 3.38 0.00 0.10 -0.88 119.26 121.75 1smy h ALA 46 Ca 0.46 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.40 1smy h ALA 46 Cb 1.09 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 1smy h ALA 46 CO -0.18 -0.75 0.62 0.00 0.00 0.00 0.00 179.25 178.93 1smy h ALA 47 N -1.08 2.22 0.25 0.00 0.00 0.22 0.56 119.26 121.42 1smy h ALA 47 Ca -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1smy h ALA 47 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1smy h ALA 47 CO 0.13 -0.53 -0.13 0.74 0.00 0.00 0.00 179.25 179.47 1smy h PHE 48 N 0.41 -0.33 -1.08 0.00 -1.00 0.52 -2.73 116.94 112.72 1smy h PHE 48 Ca 0.50 -0.01 0.32 0.00 2.81 0.00 0.00 57.97 61.59 1smy h PHE 48 Cb 1.25 0.11 -0.12 0.00 3.61 0.00 0.00 35.95 40.80 1smy h PHE 48 CO -0.00 -0.20 0.67 -0.09 -1.61 0.00 0.00 178.31 177.08 1smy h ARG 49 N -0.35 0.32 0.59 1.51 2.43 -0.18 -1.56 114.38 117.15 1smy h ARG 49 Ca -0.03 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1smy h ARG 49 Cb 0.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1smy h ARG 49 CO 0.05 0.21 -0.47 0.93 -1.51 0.00 0.00 179.97 179.19 1smy h GLU 50 N 0.33 -0.99 -0.49 0.20 5.08 -0.76 -3.23 114.58 114.72 1smy h GLU 50 Ca 0.69 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.12 1smy h GLU 50 Cb 1.75 0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1smy h GLU 50 CO -0.44 -0.66 0.00 2.41 -1.00 0.00 0.00 179.01 179.32 1smy n THR 51 N -5.57 2.59 -0.08 1.13 -1.04 -0.95 -4.65 114.28 105.72 1smy n THR 51 Ca -0.13 -1.53 -0.12 0.00 -2.04 0.00 0.00 64.05 60.24 1smy n THR 51 Cb 0.46 -0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 68.65 1smy n THR 51 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1smy h PHE 52 N 3.41 0.00 -0.47 -1.42 0.04 -1.31 -3.41 116.94 113.77 1smy h PHE 52 Ca 0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1smy h PHE 52 Cb 1.81 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.94 1smy h PHE 52 CO 0.92 0.73 0.43 -2.14 -0.60 0.00 0.00 178.31 177.66 1smy s PRO 53 N -2.14 2.02 -0.95 1.51 0.02 -1.26 -4.62 135.00 129.59 1smy s PRO 53 Ca -0.17 -0.15 -0.24 0.00 0.02 0.00 0.00 61.00 60.46 1smy s PRO 53 Cb 0.02 -4.98 0.05 0.00 0.02 0.00 0.00 34.50 29.60 1smy s PRO 53 CO 0.42 -4.13 1.40 -1.50 -0.33 0.00 0.00 177.00 172.86 1smy s ILE 54 N 12.82 3.88 -1.21 2.83 1.10 -1.25 -4.93 121.20 134.43 1smy s ILE 54 Ca 0.79 -0.46 -0.14 0.00 -0.51 0.00 0.00 60.65 60.33 1smy s ILE 54 Cb -0.08 -5.02 0.17 0.00 0.15 0.00 0.00 42.46 37.68 1smy s ILE 54 CO 0.07 -1.91 1.45 -0.70 -2.11 0.00 0.00 174.94 171.73 1smy s GLU 55 N 5.16 4.08 -0.34 3.50 -6.30 -1.26 -4.25 118.70 119.29 1smy s GLU 55 Ca 0.43 -2.55 -0.14 0.00 -2.50 0.00 0.00 54.97 50.21 1smy s GLU 55 Cb -0.02 -5.09 -0.02 0.00 0.00 0.00 0.00 34.13 29.00 1smy s GLU 55 CO -0.03 -1.79 0.32 -1.21 0.02 0.00 0.00 175.26 172.56 1smy s GLU 56 N 1.73 3.56 0.00 4.30 0.41 -1.25 -5.02 118.70 122.42 1smy s GLU 56 Ca 0.43 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.51 1smy s GLU 56 Cb -0.02 -3.80 0.00 0.00 -1.78 0.00 0.00 34.13 28.53 1smy s GLU 56 CO 0.00 -0.48 0.00 -1.91 -0.49 0.00 0.00 175.26 172.38 1smy n GLU 57 N 5.28 0.00 -4.75 1.61 2.13 -1.26 -2.49 120.64 121.16 1smy n GLU 57 Ca -0.10 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.41 1smy n GLU 57 Cb 0.50 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.07 1smy n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1smy s ASP 58 N 0.12 3.64 0.00 4.31 1.01 -1.26 -2.06 116.67 122.43 1smy s ASP 58 Ca 0.00 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.80 1smy s ASP 58 Cb 0.00 -0.54 0.00 0.00 1.01 0.00 0.00 42.92 43.39 1smy s ASP 58 CO 0.00 0.26 0.00 0.29 0.21 0.00 0.00 175.17 175.93 1smy n LYS 59 N 1.66 0.00 0.00 8.23 5.02 -1.26 -4.99 118.16 126.83 1smy n LYS 59 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1smy n LYS 59 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1smy n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1smy n GLY 60 N 0.00 -0.05 3.30 0.72 0.00 -1.26 -5.09 105.19 102.80 1smy n GLY 60 Ca 0.00 0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.29 1smy n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1smy s LYS 61 N 0.00 0.20 0.00 1.61 2.20 -1.26 -5.18 119.74 117.31 1smy s LYS 61 Ca 0.00 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 1smy s LYS 61 Cb 0.00 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1smy s LYS 61 CO 0.00 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1smy n GLY 62 N 4.93 5.53 0.00 5.54 0.00 -0.87 -4.94 105.19 115.37 1smy n GLY 62 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1smy n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smy n GLY 63 N 0.00 1.14 3.75 -0.02 0.00 -1.11 -4.55 105.19 104.40 1smy n GLY 63 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1smy n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1smy s LEU 64 N 0.00 4.35 -0.38 0.99 2.96 -1.04 -4.43 118.68 121.14 1smy s LEU 64 Ca 0.00 2.88 0.04 0.00 -0.22 0.00 0.00 54.13 56.83 1smy s LEU 64 Cb 0.00 -3.64 0.16 0.00 0.50 0.00 0.00 46.19 43.21 1smy s LEU 64 CO 0.00 -0.85 0.42 -0.69 -1.32 0.00 0.00 176.35 173.92 1smy s VAL 65 N -0.17 -0.46 -0.42 1.68 1.01 -1.26 -3.92 120.40 116.86 1smy s VAL 65 Ca 0.61 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 1smy s VAL 65 Cb -0.46 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.39 1smy s VAL 65 CO 0.49 -0.47 0.34 -0.22 0.00 0.00 0.00 175.10 175.24 1smy s LEU 66 N 1.53 5.08 0.00 3.92 2.96 -1.26 -1.98 118.68 128.93 1smy s LEU 66 Ca 0.17 -0.87 0.04 0.00 -0.22 0.00 0.00 54.13 53.24 1smy s LEU 66 Cb -0.13 -2.21 0.11 0.00 0.50 0.00 0.00 46.19 44.45 1smy s LEU 66 CO -0.05 -0.49 0.82 0.47 -1.32 0.00 0.00 176.35 175.78 1smy n ASP 67 N 5.27 1.51 -4.24 3.68 8.00 -1.10 -3.82 116.55 125.85 1smy n ASP 67 Ca -0.10 -2.18 -0.33 0.00 0.71 0.00 0.00 54.79 52.90 1smy n ASP 67 Cb 0.47 -0.49 -0.16 0.00 -0.02 0.00 0.00 41.12 40.92 1smy n ASP 67 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1smy s PHE 68 N -2.51 2.70 0.00 1.24 5.36 -1.26 -4.08 117.98 119.43 1smy s PHE 68 Ca 0.57 -1.10 0.00 0.00 -0.96 0.00 0.00 56.93 55.45 1smy s PHE 68 Cb -0.04 -1.82 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 1smy s PHE 68 CO 0.37 -0.48 0.00 1.28 -1.46 0.00 0.00 175.22 174.93 1smy n LEU 69 N 3.88 0.00 -3.99 6.12 4.77 -0.57 -5.05 117.00 122.16 1smy n LEU 69 Ca -0.19 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 1smy n LEU 69 Cb 0.52 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1smy n LEU 69 CO 0.28 -0.04 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.33 1smy s GLU 70 N -0.07 0.34 -0.24 3.23 8.01 -1.26 -4.94 118.70 123.78 1smy s GLU 70 Ca 0.00 -0.60 -0.05 0.00 0.01 0.00 0.00 54.97 54.33 1smy s GLU 70 Cb 0.00 0.01 -0.01 0.00 -4.31 0.00 0.00 34.13 29.82 1smy s GLU 70 CO 0.00 -0.02 0.00 1.52 0.01 0.00 0.00 175.26 176.77 1smy s TYR 71 N -1.35 3.02 -0.13 1.61 -0.00 -1.26 0.60 117.35 119.84 1smy s TYR 71 Ca -0.14 -0.82 -0.04 0.00 -0.00 0.00 0.00 57.07 56.08 1smy s TYR 71 Cb -0.09 -2.16 0.06 0.00 -0.00 0.00 0.00 41.96 39.77 1smy s TYR 71 CO -0.01 -0.50 0.17 -0.98 -0.00 0.00 0.00 175.55 174.23 1smy s ARG 72 N 1.52 0.08 0.38 -3.49 1.70 -1.25 -4.80 118.95 113.09 1smy s ARG 72 Ca 0.05 0.40 0.06 0.00 -0.47 0.00 0.00 55.73 55.78 1smy s ARG 72 Cb -0.15 -0.69 0.06 0.00 -0.57 0.00 0.00 34.95 33.60 1smy s ARG 72 CO -0.01 -0.44 0.50 1.28 -1.08 0.00 0.00 175.30 175.55 1smy n LEU 73 N 5.32 0.00 0.00 -1.89 4.32 -1.26 -3.99 117.00 119.50 1smy n LEU 73 Ca -0.05 -1.69 0.00 0.00 -0.02 0.00 0.00 56.01 54.25 1smy n LEU 73 Cb 0.50 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 1smy n LEU 73 CO 0.06 -0.62 0.00 0.61 -1.22 0.00 0.00 177.39 176.22 1smy n GLY 74 N 0.36 0.63 3.09 -0.72 0.00 -1.26 -5.05 105.19 102.23 1smy n GLY 74 Ca 0.09 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1smy n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1smy s GLU 75 N 0.00 1.84 0.28 1.61 2.02 -1.26 -5.01 118.70 118.19 1smy s GLU 75 Ca 0.00 -1.86 -0.30 0.00 0.02 0.00 0.00 54.97 52.83 1smy s GLU 75 Cb 0.00 -3.47 -0.11 0.00 0.10 0.00 0.00 34.13 30.66 1smy s GLU 75 CO 0.00 -1.03 1.53 -2.14 0.02 0.00 0.00 175.26 173.63 1smy s PRO 76 N 1.03 4.18 0.15 0.39 0.02 -1.26 -4.34 135.00 135.17 1smy s PRO 76 Ca 0.09 2.47 -0.27 0.00 0.02 0.00 0.00 61.00 63.32 1smy s PRO 76 Cb -0.22 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1smy s PRO 76 CO -0.05 -0.54 1.58 -1.35 -0.33 0.00 0.00 177.00 176.30 1smy h PRO 77 N 4.78 -0.31 -4.98 5.54 0.11 -1.96 -3.45 132.00 131.73 1smy h PRO 77 Ca -0.47 0.02 -0.42 0.00 0.11 0.00 0.00 66.00 65.24 1smy h PRO 77 Cb 1.22 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.26 1smy h PRO 77 CO 0.78 -0.21 -0.58 -0.06 -0.21 0.00 0.00 178.00 177.71 1smy s PHE 78 N -5.86 1.68 0.36 0.65 0.40 -1.26 -5.16 117.98 108.78 1smy s PHE 78 Ca -0.15 -1.20 -0.01 0.00 -0.60 0.00 0.00 56.93 54.97 1smy s PHE 78 Cb 0.12 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 1smy s PHE 78 CO 0.65 -0.31 0.59 -1.25 0.70 0.00 0.00 175.22 175.60 1smy s PRO 79 N -3.90 3.52 0.07 0.24 0.04 -1.26 -4.88 135.00 128.82 1smy s PRO 79 Ca 0.35 -0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.05 1smy s PRO 79 Cb 0.06 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 1smy s PRO 79 CO 0.15 0.10 1.26 1.96 0.04 0.00 0.00 177.00 180.51 1smy h GLN 80 N 0.83 -0.06 -0.72 4.56 4.20 -1.99 0.25 115.11 122.18 1smy h GLN 80 Ca -0.49 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.39 1smy h GLN 80 Cb 1.21 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.88 1smy h GLN 80 CO 0.62 -0.04 0.00 -0.44 -0.67 0.00 0.00 178.83 178.30 1smy h ASP 81 N -0.07 -0.33 -0.99 1.46 5.19 -2.00 0.58 116.42 120.26 1smy h ASP 81 Ca 0.06 0.18 0.05 0.00 -0.62 0.00 0.00 57.03 56.70 1smy h ASP 81 Cb 0.23 0.33 -0.06 0.00 0.18 0.00 0.00 39.33 40.00 1smy h ASP 81 CO -0.39 -0.16 0.64 -0.33 -3.12 0.00 0.00 179.24 175.88 1smy h GLU 82 N 0.11 1.18 0.00 3.56 4.39 -1.67 0.14 114.58 122.29 1smy h GLU 82 Ca 0.39 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1smy h GLU 82 Cb 0.67 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1smy h GLU 82 CO -0.63 0.78 0.00 0.00 -1.16 0.00 0.00 179.01 178.00 1smy n ARG 84 N -2.92 0.65 0.03 0.00 1.74 0.28 -2.96 116.66 113.48 1smy n ARG 84 Ca -0.01 0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 57.31 1smy n ARG 84 Cb 0.17 -1.67 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 1smy n ARG 84 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1smy h GLU 85 N -0.48 0.01 -6.98 5.56 4.81 -0.81 -3.42 114.58 113.27 1smy h GLU 85 Ca -0.46 -0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.29 1smy h GLU 85 Cb 1.69 -0.00 0.04 0.00 0.63 0.00 0.00 28.75 31.12 1smy h GLU 85 CO -0.12 0.04 0.11 0.15 -0.73 0.00 0.00 179.01 178.46 1smy s LYS 86 N -6.06 3.17 -1.01 1.92 1.02 0.57 -4.99 119.74 114.37 1smy s LYS 86 Ca -0.13 -0.00 -0.03 0.00 0.02 0.00 0.00 55.97 55.83 1smy s LYS 86 Cb 0.06 -2.35 0.25 0.00 -0.52 0.00 0.00 37.83 35.26 1smy s LYS 86 CO 0.66 -0.45 2.11 -0.25 -0.92 0.00 0.00 175.35 176.51 1smy n ASP 87 N -2.39 7.48 -4.60 2.83 8.00 -1.26 -4.53 116.55 122.08 1smy n ASP 87 Ca 0.03 -3.52 -0.34 0.00 0.71 0.00 0.00 54.79 51.66 1smy n ASP 87 Cb 0.57 -1.21 -0.11 0.00 -0.02 0.00 0.00 41.12 40.35 1smy n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1smy s LEU 88 N -3.49 3.25 -0.36 0.64 1.43 -1.15 -4.81 118.68 114.19 1smy s LEU 88 Ca 0.47 -0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 53.31 1smy s LEU 88 Cb 0.25 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.75 1smy s LEU 88 CO -0.18 0.35 0.91 -0.89 0.23 0.00 0.00 176.35 176.77 1smy s THR 89 N -0.86 4.62 -0.40 5.49 2.01 -1.13 -4.54 115.64 120.84 1smy s THR 89 Ca 0.13 1.21 -0.28 0.00 0.31 0.00 0.00 61.69 63.07 1smy s THR 89 Cb -0.11 -4.31 -0.08 0.00 0.01 0.00 0.00 72.50 68.02 1smy s THR 89 CO 0.03 -0.49 2.33 0.00 -0.69 0.00 0.00 174.62 175.80 1smy n TYR 90 N 6.68 1.61 -4.21 4.92 9.36 -0.56 -4.90 117.16 130.06 1smy n TYR 90 Ca 0.07 0.06 -0.13 0.00 3.32 0.00 0.00 57.90 61.22 1smy n TYR 90 Cb 0.48 -2.65 -0.10 0.00 -0.63 0.00 0.00 39.34 36.44 1smy n TYR 90 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1smy s GLN 91 N 7.35 0.93 0.09 2.98 -0.21 -1.26 -3.10 119.66 126.45 1smy s GLN 91 Ca 1.03 -1.35 0.05 0.00 0.02 0.00 0.00 55.36 55.11 1smy s GLN 91 Cb -0.38 -0.45 -0.04 0.00 1.00 0.00 0.00 33.01 33.15 1smy s GLN 91 CO 0.34 0.04 -0.01 0.00 -2.12 0.00 0.00 175.29 173.53 1smy s ALA 92 N -3.27 3.25 0.78 6.09 0.00 0.17 -3.93 121.76 124.85 1smy s ALA 92 Ca 0.13 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 1smy s ALA 92 Cb 0.03 -1.15 0.06 0.00 0.00 0.00 0.00 23.12 22.05 1smy s ALA 92 CO -0.02 0.69 1.10 -2.14 0.00 0.00 0.00 175.76 175.40 1smy s PRO 93 N -2.31 2.21 -0.27 0.00 0.02 -1.26 -2.63 135.00 130.75 1smy s PRO 93 Ca 0.25 0.57 -0.01 0.00 0.02 0.00 0.00 61.00 61.83 1smy s PRO 93 Cb -0.12 -1.94 0.13 0.00 0.02 0.00 0.00 34.50 32.60 1smy s PRO 93 CO 0.18 -1.51 0.29 -1.17 -0.33 0.00 0.00 177.00 174.46 1smy s LEU 94 N -5.69 -0.27 -0.14 -5.54 2.96 -1.25 -4.33 118.68 104.42 1smy s LEU 94 Ca 0.60 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1smy s LEU 94 Cb -0.14 0.56 0.05 0.00 0.50 0.00 0.00 46.19 47.16 1smy s LEU 94 CO 0.53 -0.37 0.02 -0.72 -1.32 0.00 0.00 176.35 174.49 1smy s TYR 95 N 2.38 0.88 0.40 5.38 -0.85 -1.26 -2.83 117.35 121.45 1smy s TYR 95 Ca 0.09 -0.56 0.02 0.00 -0.52 0.00 0.00 57.07 56.10 1smy s TYR 95 Cb -0.14 -0.94 -0.01 0.00 0.38 0.00 0.00 41.96 41.25 1smy s TYR 95 CO -0.29 -0.49 0.59 0.00 -1.52 0.00 0.00 175.55 173.85 1smy s ALA 96 N 1.91 3.84 -0.07 9.51 0.00 -1.26 -3.81 121.76 131.88 1smy s ALA 96 Ca 0.02 -1.10 -0.26 0.00 0.00 0.00 0.00 51.96 50.61 1smy s ALA 96 Cb -0.15 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 1smy s ALA 96 CO -0.07 -0.21 0.83 1.03 0.00 0.00 0.00 175.76 177.34 1smy s ARG 97 N -4.41 4.45 0.35 0.00 0.52 0.20 -4.40 118.95 115.65 1smy s ARG 97 Ca 0.45 1.11 0.09 0.00 -0.52 0.00 0.00 55.73 56.86 1smy s ARG 97 Cb -0.10 -3.48 -0.07 0.00 0.52 0.00 0.00 34.95 31.82 1smy s ARG 97 CO 0.36 -0.07 -0.08 -0.51 0.02 0.00 0.00 175.30 175.01 1smy s LEU 98 N 1.20 2.73 -0.30 2.53 1.43 -1.06 -1.51 118.68 123.71 1smy s LEU 98 Ca 0.43 -1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 1smy s LEU 98 Cb -0.19 -0.97 0.18 0.00 0.03 0.00 0.00 46.19 45.24 1smy s LEU 98 CO 0.20 -0.24 1.12 0.00 0.23 0.00 0.00 176.35 177.67 1smy s GLN 99 N -3.63 0.13 -0.15 1.70 -2.07 -1.26 -3.99 119.66 110.40 1smy s GLN 99 Ca 0.33 0.25 -0.08 0.00 -1.82 0.00 0.00 55.36 54.04 1smy s GLN 99 Cb 0.03 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 1smy s GLN 99 CO 0.16 -0.13 0.13 -0.48 -1.32 0.00 0.00 175.29 173.65 1smy s LEU 100 N 2.84 4.26 0.72 2.60 0.05 -1.15 -2.70 118.68 125.29 1smy s LEU 100 Ca -0.04 0.34 -0.01 0.00 0.05 0.00 0.00 54.13 54.47 1smy s LEU 100 Cb -0.08 -2.06 0.12 0.00 -2.05 0.00 0.00 46.19 42.11 1smy s LEU 100 CO -0.11 0.30 0.99 -0.63 -0.55 0.00 0.00 176.35 176.36 1smy s ILE 101 N -0.40 2.16 0.01 1.48 -1.09 -0.84 -3.07 121.20 119.45 1smy s ILE 101 Ca 0.11 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1smy s ILE 101 Cb -0.12 -2.58 -0.01 0.00 -1.58 0.00 0.00 42.46 38.18 1smy s ILE 101 CO 0.01 0.00 -0.03 -1.00 -1.23 0.00 0.00 174.94 172.69 1smy s HIS 102 N -3.14 0.31 0.30 3.97 3.76 -1.01 -4.38 115.29 115.10 1smy s HIS 102 Ca 0.66 -0.15 0.38 0.00 -0.15 0.00 0.00 55.06 55.79 1smy s HIS 102 Cb -0.06 -0.20 1.76 0.00 1.11 0.00 0.00 32.58 35.20 1smy s HIS 102 CO 0.44 -0.03 2.12 0.87 -0.85 0.00 0.00 174.74 177.29 1smy h LYS 103 N 5.74 0.00 0.00 1.40 1.79 -1.80 -3.42 116.57 120.28 1smy h LYS 103 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1smy h LYS 103 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1smy h LYS 103 CO 0.48 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.60 1smy n ASP 104 N -3.07 0.00 -4.76 0.86 8.00 -1.26 -5.06 116.55 111.25 1smy n ASP 104 Ca -0.01 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.10 1smy n ASP 104 Cb 0.22 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 1smy n ASP 104 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1smy s THR 105 N 1.67 4.17 0.00 -3.53 2.01 -1.26 -4.94 115.64 113.76 1smy s THR 105 Ca 0.00 1.94 0.00 0.00 0.31 0.00 0.00 61.69 63.94 1smy s THR 105 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1smy s THR 105 CO 0.00 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 1smy n GLY 106 N 1.38 2.66 2.72 4.40 0.00 -1.26 -4.88 105.19 110.21 1smy n GLY 106 Ca -0.02 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.09 1smy n GLY 106 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1smy n LEU 107 N 0.00 -2.84 -4.65 0.99 -0.00 -1.26 -2.41 117.00 106.82 1smy n LEU 107 Ca 0.00 -3.31 -0.43 0.00 -0.00 0.00 0.00 56.01 52.27 1smy n LEU 107 Cb 0.00 0.80 -0.03 0.00 -0.00 0.00 0.00 43.42 44.19 1smy n LEU 107 CO 0.00 1.99 1.63 -0.38 -0.00 0.00 0.00 177.39 180.63 1smy n ILE 108 N 1.98 0.68 -3.49 1.47 5.41 -1.17 -4.74 119.36 119.51 1smy n ILE 108 Ca 0.12 -0.19 -0.42 0.00 1.00 0.00 0.00 62.75 63.27 1smy n ILE 108 Cb 0.60 -2.30 -0.04 0.00 -0.71 0.00 0.00 39.64 37.19 1smy n ILE 108 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1smy s LYS 109 N 4.74 3.52 -1.28 0.38 2.20 -1.26 -2.95 119.74 125.08 1smy s LYS 109 Ca 0.92 -2.94 -0.16 0.00 -0.36 0.00 0.00 55.97 53.43 1smy s LYS 109 Cb -0.45 -4.21 0.11 0.00 -1.51 0.00 0.00 37.83 31.76 1smy s LYS 109 CO 0.42 -1.25 1.67 -1.91 -0.36 0.00 0.00 175.35 173.93 1smy n GLU 110 N 3.04 3.26 0.00 4.03 4.07 -1.26 -4.91 120.64 128.87 1smy n GLU 110 Ca 0.18 -3.46 0.00 0.00 -0.06 0.00 0.00 57.16 53.82 1smy n GLU 110 Cb 0.40 -3.27 0.00 0.00 -0.06 0.00 0.00 31.44 28.51 1smy n GLU 110 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1smy n ASP 111 N 6.90 0.00 -4.90 4.31 8.00 -1.26 -4.55 116.55 125.05 1smy n ASP 111 Ca 0.44 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.69 1smy n ASP 111 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.50 1smy n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1smy s GLU 112 N -0.50 3.25 -0.39 -1.24 0.41 -1.26 -2.55 118.70 116.42 1smy s GLU 112 Ca 0.00 -0.72 0.06 0.00 -0.41 0.00 0.00 54.97 53.91 1smy s GLU 112 Cb 0.00 -2.84 0.17 0.00 -1.78 0.00 0.00 34.13 29.68 1smy s GLU 112 CO 0.00 0.50 0.54 0.08 -0.49 0.00 0.00 175.26 175.89 1smy s VAL 113 N -1.79 -0.77 -0.65 2.63 1.01 -1.26 -5.05 120.40 114.52 1smy s VAL 113 Ca 0.33 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1smy s VAL 113 Cb -0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 1smy s VAL 113 CO 0.27 -0.20 1.62 0.72 0.00 0.00 0.00 175.10 177.51 1smy s PHE 114 N 1.76 1.93 -0.11 5.22 -0.71 -1.26 -4.54 117.98 120.27 1smy s PHE 114 Ca 0.16 0.46 0.03 0.00 -1.04 0.00 0.00 56.93 56.54 1smy s PHE 114 Cb -0.08 -4.31 -0.00 0.00 -1.21 0.00 0.00 43.02 37.42 1smy s PHE 114 CO -0.07 -2.21 -0.22 -0.48 -1.34 0.00 0.00 175.22 170.90 1smy s LEU 115 N 7.62 2.19 0.02 -1.99 0.05 -1.13 -4.94 118.68 120.51 1smy s LEU 115 Ca 0.55 -0.52 0.00 0.00 0.05 0.00 0.00 54.13 54.20 1smy s LEU 115 Cb -0.11 -1.44 0.00 0.00 -2.05 0.00 0.00 46.19 42.59 1smy s LEU 115 CO 0.19 0.16 0.00 0.61 -0.55 0.00 0.00 176.35 176.76 1smy n GLY 116 N 3.55 -3.66 3.27 -3.48 0.00 -1.26 -4.58 105.19 99.03 1smy n GLY 116 Ca -0.19 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 1smy n GLY 116 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1smy s HIS 117 N -0.10 3.36 0.02 1.61 3.76 -1.26 -3.76 115.29 118.92 1smy s HIS 117 Ca 0.00 -1.60 -0.22 0.00 -0.15 0.00 0.00 55.06 53.09 1smy s HIS 117 Cb 0.00 -3.67 -0.06 0.00 1.11 0.00 0.00 32.58 29.97 1smy s HIS 117 CO 0.00 -1.00 0.65 -1.50 -0.85 0.00 0.00 174.74 172.03 1smy s ILE 118 N 1.38 4.84 0.69 0.60 2.07 -1.08 -4.77 121.20 124.92 1smy s ILE 118 Ca 0.05 1.36 -0.14 0.00 -1.41 0.00 0.00 60.65 60.51 1smy s ILE 118 Cb -0.27 -3.99 0.01 0.00 0.13 0.00 0.00 42.46 38.35 1smy s ILE 118 CO 0.01 0.41 1.11 -2.84 -1.91 0.00 0.00 174.94 171.72 1smy s PRO 119 N -0.23 2.65 0.33 3.50 0.02 -1.26 0.43 135.00 140.44 1smy s PRO 119 Ca 0.33 1.35 0.08 0.00 0.02 0.00 0.00 61.00 62.78 1smy s PRO 119 Cb -0.19 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1smy s PRO 119 CO 0.19 -1.36 0.20 -0.51 -0.33 0.00 0.00 177.00 175.19 1smy s LEU 120 N -5.11 3.44 -0.13 -5.54 1.43 -1.18 -4.77 118.68 106.83 1smy s LEU 120 Ca 0.66 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 1smy s LEU 120 Cb -0.20 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 1smy s LEU 120 CO 0.45 -0.29 0.28 -0.32 0.23 0.00 0.00 176.35 176.70 1smy s MET 121 N -3.90 4.06 0.91 1.70 -2.45 -1.26 -4.53 119.30 113.83 1smy s MET 121 Ca 0.38 0.10 -0.10 0.00 -1.25 0.00 0.00 55.69 54.82 1smy s MET 121 Cb -0.05 -3.35 0.15 0.00 1.25 0.00 0.00 34.83 32.83 1smy s MET 121 CO 0.24 0.41 1.14 0.99 1.05 0.00 0.00 175.02 178.85 1smy s THR 122 N -0.06 2.15 0.58 10.11 2.01 0.16 -4.86 115.64 125.72 1smy s THR 122 Ca 0.17 0.05 0.32 0.00 0.31 0.00 0.00 61.69 62.54 1smy s THR 122 Cb -0.13 -2.11 0.37 0.00 0.01 0.00 0.00 72.50 70.63 1smy s THR 122 CO 0.05 -0.07 2.26 -0.33 -0.69 0.00 0.00 174.62 175.84 1smy h GLU 123 N -1.85 0.00 0.12 4.92 5.08 -1.98 -2.06 114.58 118.81 1smy h GLU 123 Ca -0.44 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.62 1smy h GLU 123 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1smy h GLU 123 CO 0.43 0.01 -1.45 0.38 -1.00 0.00 0.00 179.01 177.38 1smy h ASP 124 N 0.00 0.40 0.00 1.42 3.04 -1.94 -3.49 116.42 115.86 1smy h ASP 124 Ca -0.00 -0.52 0.00 0.00 -3.24 0.00 0.00 57.03 53.27 1smy h ASP 124 Cb 0.05 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.20 1smy h ASP 124 CO 0.00 1.42 0.00 0.61 -2.04 0.00 0.00 179.24 179.24 1smy n GLY 125 N 1.63 1.16 0.68 7.15 0.00 -0.78 -4.90 105.19 110.14 1smy n GLY 125 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 1smy n GLY 125 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1smy n SER 126 N 0.00 -0.10 -4.15 1.61 3.41 -1.26 -4.57 113.62 108.56 1smy n SER 126 Ca 0.00 -1.04 -0.18 0.00 -0.26 0.00 0.00 58.87 57.38 1smy n SER 126 Cb 0.00 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 63.67 1smy n SER 126 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1smy s PHE 127 N -1.50 1.60 -0.40 7.33 0.08 -0.29 0.38 117.98 125.19 1smy s PHE 127 Ca 0.13 -1.27 0.01 0.00 0.12 0.00 0.00 56.93 55.93 1smy s PHE 127 Cb -0.00 -0.92 0.13 0.00 -0.57 0.00 0.00 43.02 41.66 1smy s PHE 127 CO 0.09 -0.41 0.22 0.42 -0.10 0.00 0.00 175.22 175.45 1smy s ILE 128 N -3.62 0.87 0.00 0.64 1.09 -1.26 -1.69 121.20 117.22 1smy s ILE 128 Ca 0.36 -2.14 0.00 0.00 -1.10 0.00 0.00 60.65 57.77 1smy s ILE 128 Cb 0.06 -1.62 0.00 0.00 -1.06 0.00 0.00 42.46 39.84 1smy s ILE 128 CO 0.16 -0.92 0.00 -0.38 -0.10 0.00 0.00 174.94 173.70 1smy n ILE 129 N 3.83 0.00 0.00 2.92 -0.00 -1.17 -1.50 119.36 123.45 1smy n ILE 129 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 1smy n ILE 129 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.00 1smy n ILE 129 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1smy n ASN 130 N 0.00 0.00 0.00 4.38 3.02 -1.26 -2.82 115.26 118.58 1smy n ASN 130 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1smy n ASN 130 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1smy n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1smy n GLY 131 N -0.21 0.47 3.71 7.41 0.00 -1.26 -3.26 105.19 112.04 1smy n GLY 131 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1smy n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy s ALA 132 N -1.03 3.33 -0.03 4.61 0.00 -1.26 -4.78 121.76 122.61 1smy s ALA 132 Ca 0.00 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 1smy s ALA 132 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1smy s ALA 132 CO 0.00 0.44 1.06 -0.51 0.00 0.00 0.00 175.76 176.75 1smy s ASP 133 N -3.15 7.24 0.20 0.00 -0.00 -1.26 -3.03 116.67 116.67 1smy s ASP 133 Ca 0.29 1.71 0.09 0.00 -0.00 0.00 0.00 52.55 54.64 1smy s ASP 133 Cb -0.09 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.92 40.22 1smy s ASP 133 CO 0.20 -0.39 -0.09 -0.13 -0.00 0.00 0.00 175.17 174.76 1smy s ARG 134 N 1.46 2.05 0.08 8.23 0.52 -0.68 -1.20 118.95 129.41 1smy s ARG 134 Ca 0.53 -1.32 0.07 0.00 -0.52 0.00 0.00 55.73 54.49 1smy s ARG 134 Cb -0.22 -2.13 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1smy s ARG 134 CO 0.25 0.42 -0.19 0.08 0.02 0.00 0.00 175.30 175.88 1smy s VAL 135 N -1.82 1.55 -0.35 3.52 1.01 -1.23 -1.13 120.40 121.95 1smy s VAL 135 Ca 0.26 -1.39 -0.10 0.00 0.00 0.00 0.00 61.98 60.75 1smy s VAL 135 Cb -0.08 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1smy s VAL 135 CO 0.16 -0.03 0.18 -0.63 0.00 0.00 0.00 175.10 174.77 1smy s ILE 136 N -1.08 4.53 0.13 2.22 -1.09 -1.26 -4.05 121.20 120.59 1smy s ILE 136 Ca 0.05 -0.73 -0.29 0.00 -2.23 0.00 0.00 60.65 57.45 1smy s ILE 136 Cb -0.10 -3.46 -0.06 0.00 -1.58 0.00 0.00 42.46 37.26 1smy s ILE 136 CO 0.03 -0.13 0.93 -0.69 -1.23 0.00 0.00 174.94 173.85 1smy s VAL 137 N 1.56 4.44 1.00 2.92 1.01 -1.25 -4.78 120.40 125.32 1smy s VAL 137 Ca 0.03 2.01 -0.12 0.00 0.00 0.00 0.00 61.98 63.89 1smy s VAL 137 Cb -0.18 -4.29 0.19 0.00 0.00 0.00 0.00 36.38 32.09 1smy s VAL 137 CO 0.06 0.37 1.10 -0.44 0.00 0.00 0.00 175.10 176.19 1smy s SER 138 N -0.28 2.61 0.27 3.32 0.01 -1.13 -4.86 113.70 113.64 1smy s SER 138 Ca 0.44 1.14 0.03 0.00 1.31 0.00 0.00 55.95 58.87 1smy s SER 138 Cb -0.23 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1smy s SER 138 CO 0.29 -3.13 0.18 -1.58 0.41 0.00 0.00 173.24 169.41 1smy s GLN 139 N -5.00 1.50 0.04 12.44 0.74 -1.13 -1.88 119.66 126.37 1smy s GLN 139 Ca 0.65 -1.84 0.01 0.00 0.05 0.00 0.00 55.36 54.24 1smy s GLN 139 Cb -0.18 0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.03 1smy s GLN 139 CO 0.57 -0.48 -0.06 0.42 -0.55 0.00 0.00 175.29 175.20 1smy s ILE 140 N -3.76 0.40 0.03 -2.34 1.01 -1.22 0.04 121.20 115.36 1smy s ILE 140 Ca 0.38 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1smy s ILE 140 Cb 0.05 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.81 1smy s ILE 140 CO 0.18 -0.54 0.20 0.00 0.00 0.00 0.00 174.94 174.78 1smy n HIS 141 N 1.19 -0.60 -2.76 3.97 1.44 -0.35 -4.79 115.22 113.32 1smy n HIS 141 Ca -0.21 -0.21 -0.43 0.00 -2.01 0.00 0.00 57.72 54.87 1smy n HIS 141 Cb 0.56 0.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.74 1smy n HIS 141 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1smy s ARG 142 N -2.01 3.77 -0.15 -1.40 0.52 -1.26 0.14 118.95 118.55 1smy s ARG 142 Ca 0.04 0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 55.49 1smy s ARG 142 Cb -0.00 -3.84 -0.06 0.00 0.52 0.00 0.00 34.95 31.56 1smy s ARG 142 CO 0.01 -1.09 2.10 -1.54 0.02 0.00 0.00 175.30 174.80 1smy s SER 143 N 2.05 5.79 -0.94 0.23 1.04 0.41 -4.80 113.70 117.48 1smy s SER 143 Ca 0.40 2.07 -0.11 0.00 0.48 0.00 0.00 55.95 58.79 1smy s SER 143 Cb -0.11 -2.52 -0.30 0.00 0.10 0.00 0.00 66.02 63.20 1smy s SER 143 CO 0.23 -1.67 2.15 -2.65 0.98 0.00 0.00 173.24 172.28 1smy n PRO 144 N 8.36 0.08 0.00 4.02 -0.02 -1.26 -4.65 135.00 141.54 1smy n PRO 144 Ca 0.26 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1smy n PRO 144 Cb 0.44 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1smy n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 145 N 5.67 4.41 2.99 -1.23 0.00 -1.09 -4.68 105.19 111.27 1smy n GLY 145 Ca 0.63 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1smy n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 146 N 0.39 0.41 0.24 1.61 1.01 -1.26 -0.97 120.40 121.84 1smy s VAL 146 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1smy s VAL 146 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1smy s VAL 146 CO 0.00 -0.13 0.23 -0.31 0.00 0.00 0.00 175.10 174.89 1smy s TYR 147 N -0.69 1.19 -0.26 5.22 1.51 -0.43 -4.92 117.35 118.98 1smy s TYR 147 Ca -0.04 -1.36 -0.04 0.00 -1.01 0.00 0.00 57.07 54.62 1smy s TYR 147 Cb -0.05 -0.47 0.10 0.00 -0.11 0.00 0.00 41.96 41.42 1smy s TYR 147 CO 0.00 -0.77 0.14 -0.06 -1.11 0.00 0.00 175.55 173.75 1smy s PHE 148 N -3.91 0.19 0.05 2.71 0.40 -1.26 -1.31 117.98 114.86 1smy s PHE 148 Ca 0.37 -0.65 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1smy s PHE 148 Cb 0.05 -0.79 -0.04 0.00 0.51 0.00 0.00 43.02 42.74 1smy s PHE 148 CO 0.16 -0.77 0.06 -0.08 0.70 0.00 0.00 175.22 175.29 1smy s THR 149 N 2.14 4.47 0.42 0.64 -1.32 -1.10 -3.37 115.64 117.53 1smy s THR 149 Ca 0.08 -0.70 -0.25 0.00 -1.21 0.00 0.00 61.69 59.61 1smy s THR 149 Cb -0.16 -3.11 -0.10 0.00 -1.51 0.00 0.00 72.50 67.62 1smy s THR 149 CO -0.30 0.20 1.10 -2.65 -2.21 0.00 0.00 174.62 170.76 1smy n PRO 150 N 0.73 1.53 -1.93 7.08 -0.02 -1.26 -1.92 135.00 139.21 1smy n PRO 150 Ca -0.10 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1smy n PRO 150 Cb 0.52 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1smy n PRO 150 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1smy s ASP 151 N -0.68 6.54 0.00 2.55 -1.08 -1.26 -4.68 116.67 118.07 1smy s ASP 151 Ca 0.63 2.82 0.00 0.00 -0.52 0.00 0.00 52.55 55.47 1smy s ASP 151 Cb -0.54 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.28 1smy s ASP 151 CO 0.57 -0.76 0.00 -2.65 0.52 0.00 0.00 175.17 172.85 1smy n PRO 152 N 1.66 0.00 -0.05 4.34 -0.02 -1.26 -4.49 135.00 135.18 1smy n PRO 152 Ca 0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.50 1smy n PRO 152 Cb 0.40 -0.26 -0.01 0.00 -0.02 0.00 0.00 33.50 33.61 1smy n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smy h ALA 153 N -1.80 0.00 -1.19 3.55 0.00 -2.01 -3.46 119.26 114.35 1smy h ALA 153 Ca 0.00 -0.33 -0.59 0.00 0.00 0.00 0.00 54.91 53.99 1smy h ALA 153 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1smy h ALA 153 CO 0.00 0.29 1.52 0.54 0.00 0.00 0.00 179.25 181.59 1smy n ARG 154 N -4.12 1.06 -0.70 0.00 1.74 -1.26 -4.79 116.66 108.60 1smy n ARG 154 Ca -0.04 0.22 -0.15 0.00 -0.77 0.00 0.00 57.85 57.12 1smy n ARG 154 Cb 0.15 -2.67 -0.07 0.00 -1.02 0.00 0.00 32.46 28.85 1smy n ARG 154 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1smy n PRO 155 N 8.49 1.68 0.00 5.56 -0.02 -1.26 -4.41 135.00 145.05 1smy n PRO 155 Ca 0.42 -1.02 0.00 0.00 -2.02 0.00 0.00 63.50 60.88 1smy n PRO 155 Cb 0.30 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1smy n PRO 155 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 156 N 3.14 0.49 3.44 -1.23 0.00 -1.26 -5.10 105.19 104.67 1smy n GLY 156 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 1smy n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smy s ARG 157 N 0.93 2.33 0.86 1.61 1.81 -1.26 -4.97 118.95 120.26 1smy s ARG 157 Ca 0.00 -0.81 -0.11 0.00 -1.72 0.00 0.00 55.73 53.09 1smy s ARG 157 Cb 0.00 -2.26 0.11 0.00 -0.45 0.00 0.00 34.95 32.34 1smy s ARG 157 CO 0.00 0.59 1.09 0.71 -0.68 0.00 0.00 175.30 177.02 1smy s TYR 158 N -0.75 2.47 0.52 -0.53 1.51 -1.26 -4.03 117.35 115.29 1smy s TYR 158 Ca 0.12 1.25 0.04 0.00 -1.01 0.00 0.00 57.07 57.47 1smy s TYR 158 Cb -0.10 -3.14 0.01 0.00 -0.11 0.00 0.00 41.96 38.62 1smy s TYR 158 CO 0.01 -2.18 0.26 0.96 -1.11 0.00 0.00 175.55 173.49 1smy s ILE 159 N -2.99 1.55 0.30 2.71 -5.25 -0.81 -4.76 121.20 111.95 1smy s ILE 159 Ca 0.62 -1.67 0.09 0.00 -0.99 0.00 0.00 60.65 58.70 1smy s ILE 159 Cb -0.17 -2.22 -0.04 0.00 2.95 0.00 0.00 42.46 42.98 1smy s ILE 159 CO 0.56 0.00 0.10 0.00 -1.79 0.00 0.00 174.94 173.81 1smy s ALA 160 N -2.79 3.39 -0.21 2.27 0.00 -0.19 -2.71 121.76 121.51 1smy s ALA 160 Ca 0.25 -1.70 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 1smy s ALA 160 Cb -0.01 -0.83 0.09 0.00 0.00 0.00 0.00 23.12 22.37 1smy s ALA 160 CO 0.15 0.15 0.45 -1.54 0.00 0.00 0.00 175.76 174.97 1smy s SER 161 N -3.78 -0.40 -0.23 0.00 1.04 -0.43 -2.97 113.70 106.92 1smy s SER 161 Ca 0.35 1.05 -0.07 0.00 0.48 0.00 0.00 55.95 57.76 1smy s SER 161 Cb -0.05 1.34 -0.03 0.00 0.10 0.00 0.00 66.02 67.38 1smy s SER 161 CO 0.22 -0.22 0.06 -0.63 0.98 0.00 0.00 173.24 173.64 1smy s ILE 162 N 2.40 4.33 -0.31 -1.02 1.01 -0.20 -1.31 121.20 126.10 1smy s ILE 162 Ca -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 1smy s ILE 162 Cb -0.11 -3.00 0.06 0.00 0.01 0.00 0.00 42.46 39.42 1smy s ILE 162 CO -0.14 0.37 0.02 -0.51 0.00 0.00 0.00 174.94 174.69 1smy s ILE 163 N 1.31 2.90 -0.33 2.92 2.07 -0.14 -3.11 121.20 126.81 1smy s ILE 163 Ca 0.05 -1.57 -0.07 0.00 -1.41 0.00 0.00 60.65 57.64 1smy s ILE 163 Cb -0.15 -2.75 0.03 0.00 0.13 0.00 0.00 42.46 39.72 1smy s ILE 163 CO 0.03 -0.22 0.12 -2.84 -1.91 0.00 0.00 174.94 170.12 1smy s PRO 164 N 1.20 2.78 0.02 3.50 0.02 -1.26 -2.69 135.00 138.58 1smy s PRO 164 Ca -0.03 -1.08 0.05 0.00 0.02 0.00 0.00 61.00 59.96 1smy s PRO 164 Cb -0.20 -3.49 -0.03 0.00 0.02 0.00 0.00 34.50 30.80 1smy s PRO 164 CO -0.02 -0.61 -0.10 -1.17 -0.33 0.00 0.00 177.00 174.76 1smy s LEU 165 N 1.46 3.01 1.00 -5.54 2.96 -1.26 -4.47 118.68 115.83 1smy s LEU 165 Ca 0.00 -0.24 -0.27 0.00 -0.22 0.00 0.00 54.13 53.41 1smy s LEU 165 Cb -0.19 -1.74 -0.19 0.00 0.50 0.00 0.00 46.19 44.56 1smy s LEU 165 CO 0.03 0.27 -1.49 -2.65 -1.32 0.00 0.00 176.35 171.19 1smy n PRO 166 N 1.49 0.00 -0.18 0.98 -0.02 -1.26 -4.66 135.00 131.35 1smy n PRO 166 Ca -0.15 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.23 1smy n PRO 166 Cb 0.52 -1.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.01 1smy n PRO 166 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1smy h LYS 167 N -1.00 0.90 -2.10 -0.52 3.11 -1.93 -3.20 116.57 111.82 1smy h LYS 167 Ca -0.39 -0.29 -0.07 0.00 -2.81 0.00 0.00 60.65 57.09 1smy h LYS 167 Cb 1.39 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 32.51 1smy h LYS 167 CO 0.21 0.93 -0.09 -2.13 -2.81 0.00 0.00 179.45 175.56 1smy n ARG 168 N -4.31 1.14 -3.72 1.90 3.00 -1.26 -4.55 116.66 108.86 1smy n ARG 168 Ca 0.01 -0.36 -0.24 0.00 -0.00 0.00 0.00 57.85 57.26 1smy n ARG 168 Cb 0.32 -1.47 -0.17 0.00 0.00 0.00 0.00 32.46 31.14 1smy n ARG 168 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1smy s GLY 169 N 2.10 0.44 0.38 5.14 0.00 -1.21 -4.32 107.32 109.85 1smy s GLY 169 Ca 0.24 -0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.67 1smy s GLY 169 CO 0.00 1.34 -0.20 -1.05 0.00 0.00 0.00 173.10 173.19 1smy n PRO 170 N 5.18 0.00 -3.81 2.90 -0.02 -1.26 -4.64 135.00 133.35 1smy n PRO 170 Ca -0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.11 1smy n PRO 170 Cb 0.49 -0.57 -0.14 0.00 -0.02 0.00 0.00 33.50 33.26 1smy n PRO 170 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1smy s TRP 171 N -1.14 2.36 0.13 6.00 -0.11 -1.16 -4.04 118.94 120.99 1smy s TRP 171 Ca 0.29 -2.29 -0.12 0.00 1.22 0.00 0.00 56.10 55.20 1smy s TRP 171 Cb -0.22 -2.12 -0.07 0.00 -1.50 0.00 0.00 33.47 29.57 1smy s TRP 171 CO 0.41 -0.87 0.49 0.42 -4.62 0.00 0.00 176.95 172.78 1smy s ILE 172 N 1.04 4.95 -0.02 5.86 1.01 -1.18 -4.16 121.20 128.71 1smy s ILE 172 Ca 0.12 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1smy s ILE 172 Cb -0.20 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1smy s ILE 172 CO -0.14 0.22 0.00 -1.81 0.00 0.00 0.00 174.94 173.22 1smy s ASP 173 N -1.82 0.32 -0.25 3.58 1.11 -0.54 -1.03 116.67 118.05 1smy s ASP 173 Ca 0.37 -0.02 -0.03 0.00 0.18 0.00 0.00 52.55 53.06 1smy s ASP 173 Cb -0.14 -0.17 0.01 0.00 1.07 0.00 0.00 42.92 43.69 1smy s ASP 173 CO 0.19 -0.09 -0.04 -0.76 1.18 0.00 0.00 175.17 175.65 1smy s LEU 174 N 0.89 3.17 -0.10 1.23 1.43 -1.16 -1.31 118.68 122.83 1smy s LEU 174 Ca -0.09 -0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 52.27 1smy s LEU 174 Cb -0.12 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.44 1smy s LEU 174 CO -0.02 -0.10 0.23 -0.70 0.23 0.00 0.00 176.35 175.99 1smy s GLU 175 N 1.40 0.17 -0.11 1.70 2.12 0.01 -1.03 118.70 122.96 1smy s GLU 175 Ca 0.02 0.55 -0.03 0.00 0.36 0.00 0.00 54.97 55.87 1smy s GLU 175 Cb -0.16 -0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 1smy s GLU 175 CO -0.03 -0.19 0.01 0.08 -0.54 0.00 0.00 175.26 174.58 1smy s VAL 176 N 1.52 4.34 -0.54 3.70 1.01 -1.26 0.13 120.40 129.30 1smy s VAL 176 Ca -0.07 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1smy s VAL 176 Cb -0.11 -2.85 0.27 0.00 0.00 0.00 0.00 36.38 33.69 1smy s VAL 176 CO -0.08 0.57 0.70 -0.62 0.00 0.00 0.00 175.10 175.68 1smy n GLU 177 N 2.48 1.98 0.00 2.72 1.02 -0.27 -4.97 120.64 123.60 1smy n GLU 177 Ca -0.18 -4.19 0.00 0.00 -0.02 0.00 0.00 57.16 52.77 1smy n GLU 177 Cb 0.53 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1smy n GLU 177 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1smy n PRO 178 N 0.84 0.00 0.00 3.49 -0.02 -1.22 -3.06 135.00 135.03 1smy n PRO 178 Ca 0.27 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 1smy n PRO 178 Cb 0.46 0.00 0.42 0.00 -0.02 0.00 0.00 33.50 34.36 1smy n PRO 178 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1smy n ASN 179 N -1.14 0.00 0.00 2.55 2.85 -1.26 -4.55 115.26 113.71 1smy n ASN 179 Ca 0.00 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1smy n ASN 179 Cb 0.00 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 40.69 1smy n ASN 179 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1smy n GLY 180 N 0.20 0.00 3.11 8.20 0.00 -1.21 -5.17 105.19 110.32 1smy n GLY 180 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1smy n GLY 180 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smy s VAL 181 N 0.00 0.16 -0.01 1.61 -7.23 -1.17 -5.08 120.40 108.67 1smy s VAL 181 Ca 0.00 -1.29 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1smy s VAL 181 Cb 0.00 -1.08 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 1smy s VAL 181 CO 0.00 -0.71 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.28 1smy s VAL 182 N -3.06 0.84 -0.20 1.32 1.01 -1.26 -1.12 120.40 117.93 1smy s VAL 182 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1smy s VAL 182 Cb 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1smy s VAL 182 CO -0.07 0.24 -0.13 -0.94 0.00 0.00 0.00 175.10 174.21 1smy s SER 183 N -0.19 3.68 -0.28 3.32 1.04 0.35 -4.30 113.70 117.32 1smy s SER 183 Ca 0.03 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.96 1smy s SER 183 Cb -0.05 -1.60 0.07 0.00 0.10 0.00 0.00 66.02 64.54 1smy s SER 183 CO -0.00 -0.00 -0.06 -0.32 0.98 0.00 0.00 173.24 173.83 1smy s MET 184 N 1.33 2.11 -0.23 4.02 1.75 -1.22 -0.81 119.30 126.25 1smy s MET 184 Ca 0.05 -1.45 0.02 0.00 -1.25 0.00 0.00 55.69 53.06 1smy s MET 184 Cb -0.14 -2.99 0.05 0.00 2.84 0.00 0.00 34.83 34.59 1smy s MET 184 CO -0.08 -0.65 -0.13 0.15 -0.65 0.00 0.00 175.02 173.66 1smy s LYS 185 N 1.08 2.38 -0.09 4.11 1.02 -0.43 -3.35 119.74 124.46 1smy s LYS 185 Ca -0.05 -1.13 -0.04 0.00 0.02 0.00 0.00 55.97 54.78 1smy s LYS 185 Cb -0.20 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1smy s LYS 185 CO -0.05 -0.46 -0.07 -0.39 -0.92 0.00 0.00 175.35 173.46 1smy h VAL 186 N 6.50 0.00 0.00 3.17 -1.51 -1.83 -1.43 116.25 121.15 1smy h VAL 186 Ca -0.27 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 1smy h VAL 186 Cb 1.07 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1smy h VAL 186 CO 0.51 0.00 0.00 -3.20 -1.23 0.00 0.00 177.57 173.65 1smy n ASN 187 N -4.08 0.00 0.00 4.19 5.15 -1.26 -2.97 115.26 116.29 1smy n ASN 187 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1smy n ASN 187 Cb 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.35 1smy n ASN 187 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1smy n LYS 188 N -0.06 0.00 -1.94 1.20 4.76 -1.26 -4.96 118.16 115.89 1smy n LYS 188 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1smy n LYS 188 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 1smy n LYS 188 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1smy s ARG 189 N -0.80 4.22 0.97 1.97 3.00 -1.26 -4.72 118.95 122.34 1smy s ARG 189 Ca 0.00 2.38 -0.16 0.00 0.00 0.00 0.00 55.73 57.95 1smy s ARG 189 Cb 0.00 -3.08 0.20 0.00 0.00 0.00 0.00 34.95 32.07 1smy s ARG 189 CO 0.00 -0.48 1.31 -1.59 0.00 0.00 0.00 175.30 174.53 1smy s LYS 190 N -0.40 0.57 -0.07 3.54 -2.85 -1.26 -4.65 119.74 114.61 1smy s LYS 190 Ca 0.60 -0.37 -0.31 0.00 -1.00 0.00 0.00 55.97 54.90 1smy s LYS 190 Cb -0.44 -1.83 0.11 0.00 -2.06 0.00 0.00 37.83 33.62 1smy s LYS 190 CO 0.45 -2.47 1.37 -0.59 0.10 0.00 0.00 175.35 174.21 1smy s PHE 191 N -3.83 0.00 0.12 1.78 -0.71 -1.21 -4.87 117.98 109.26 1smy s PHE 191 Ca 0.73 -0.04 -0.31 0.00 -1.04 0.00 0.00 56.93 56.28 1smy s PHE 191 Cb -0.04 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 42.19 1smy s PHE 191 CO 0.53 -0.09 1.74 -2.14 -1.34 0.00 0.00 175.22 173.92 1smy s PRO 192 N -2.05 4.16 0.46 1.99 0.02 -1.26 -3.40 135.00 134.93 1smy s PRO 192 Ca 0.25 2.49 0.32 0.00 0.02 0.00 0.00 61.00 64.08 1smy s PRO 192 Cb 0.03 -3.50 1.56 0.00 0.02 0.00 0.00 34.50 32.60 1smy s PRO 192 CO -0.04 -0.78 1.95 1.25 -0.33 0.00 0.00 177.00 179.06 1smy h LEU 193 N 8.23 0.00 0.07 -5.54 7.12 -1.91 -2.68 115.31 120.59 1smy h LEU 193 Ca -0.44 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.56 1smy h LEU 193 Cb 1.21 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1smy h LEU 193 CO 0.94 0.00 -0.03 0.58 -0.13 0.00 0.00 178.44 179.80 1smy h VAL 194 N 0.00 1.23 -1.26 1.05 2.07 -1.86 -2.84 116.25 114.64 1smy h VAL 194 Ca 0.00 -1.24 0.36 0.00 0.82 0.00 0.00 66.70 66.65 1smy h VAL 194 Cb 0.18 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 1smy h VAL 194 CO 0.00 0.30 0.88 -0.07 0.02 0.00 0.00 177.57 178.70 1smy h LEU 195 N -0.67 0.12 0.16 2.57 4.07 -1.85 0.36 115.31 120.07 1smy h LEU 195 Ca -0.01 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1smy h LEU 195 Cb 0.56 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1smy h LEU 195 CO 0.02 -0.00 -0.08 0.25 -1.08 0.00 0.00 178.44 177.55 1smy h LEU 196 N 0.09 -0.18 -0.88 1.67 6.46 -1.65 -3.03 115.31 117.79 1smy h LEU 196 Ca 0.64 -0.02 0.13 0.00 -0.12 0.00 0.00 57.88 58.51 1smy h LEU 196 Cb 2.32 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 42.21 1smy h LEU 196 CO -0.11 0.30 0.50 -0.07 -0.62 0.00 0.00 178.44 178.43 1smy h LEU 197 N -1.05 0.66 -0.36 2.25 3.38 -0.94 -1.11 115.31 118.13 1smy h LEU 197 Ca -0.02 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1smy h LEU 197 Cb 0.20 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1smy h LEU 197 CO 0.04 0.31 0.19 -0.09 0.09 0.00 0.00 178.44 178.98 1smy h ARG 198 N 0.74 0.38 -0.33 1.13 1.12 -0.17 0.55 114.38 117.80 1smy h ARG 198 Ca 0.47 -0.02 0.06 0.00 -1.11 0.00 0.00 59.98 59.38 1smy h ARG 198 Cb 0.58 -0.08 -0.06 0.00 -0.01 0.00 0.00 29.97 30.40 1smy h ARG 198 CO -0.32 0.25 -0.07 0.28 -3.11 0.00 0.00 179.97 177.00 1smy h VAL 199 N 0.39 0.69 0.00 0.20 2.07 -1.10 0.26 116.25 118.76 1smy h VAL 199 Ca 0.15 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1smy h VAL 199 Cb 0.04 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1smy h VAL 199 CO -0.09 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.43 1smy h LEU 200 N 0.01 0.00 0.00 2.57 3.38 -0.75 -3.44 115.31 117.08 1smy h LEU 200 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1smy h LEU 200 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1smy h LEU 200 CO -0.33 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.81 1smy n GLY 201 N -0.24 1.14 3.51 0.83 0.00 0.92 -4.88 105.19 106.47 1smy n GLY 201 Ca 0.01 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1smy n GLY 201 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1smy n TYR 202 N 0.00 1.26 -2.94 1.61 4.01 0.16 -4.77 117.16 116.49 1smy n TYR 202 Ca 0.00 0.21 -0.33 0.00 -0.16 0.00 0.00 57.90 57.62 1smy n TYR 202 Cb 0.00 -2.55 -0.07 0.00 -0.31 0.00 0.00 39.34 36.41 1smy n TYR 202 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1smy s ASP 203 N 10.10 6.91 0.24 7.72 1.11 -1.26 -2.78 116.67 138.72 1smy s ASP 203 Ca 1.11 1.54 -0.10 0.00 0.18 0.00 0.00 52.55 55.28 1smy s ASP 203 Cb -0.63 -2.48 0.35 0.00 1.07 0.00 0.00 42.92 41.24 1smy s ASP 203 CO 0.38 -0.27 1.61 1.56 1.18 0.00 0.00 175.17 179.63 1smy h GLN 204 N 2.19 0.02 0.16 8.23 4.20 -1.91 -1.05 115.11 126.94 1smy h GLN 204 Ca -0.48 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 1smy h GLN 204 Cb 1.18 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1smy h GLN 204 CO 0.63 0.01 -0.08 1.05 -0.67 0.00 0.00 178.83 179.78 1smy h GLU 205 N 0.02 -0.20 0.00 1.46 4.11 -1.99 0.20 114.58 118.19 1smy h GLU 205 Ca 0.38 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.82 1smy h GLU 205 Cb 0.61 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1smy h GLU 205 CO -0.76 0.12 0.00 0.00 0.07 0.00 0.00 179.01 178.44 1smy h THR 206 N -0.54 0.00 0.00 -1.06 1.03 -1.94 -2.64 112.91 107.76 1smy h THR 206 Ca -0.02 -0.25 -0.01 0.00 -0.01 0.00 0.00 66.41 66.13 1smy h THR 206 Cb 0.42 1.01 -0.00 0.00 -1.07 0.00 0.00 68.15 68.50 1smy h THR 206 CO 0.04 0.00 -0.07 0.25 -0.01 0.00 0.00 175.52 175.72 1smy h LEU 207 N 0.00 0.00 -0.38 0.00 6.46 -0.94 -2.92 115.31 117.53 1smy h LEU 207 Ca 0.00 -0.19 0.06 0.00 -0.12 0.00 0.00 57.88 57.64 1smy h LEU 207 Cb 0.33 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.21 1smy h LEU 207 CO 0.00 0.63 0.04 0.00 -0.62 0.00 0.00 178.44 178.49 1smy h ALA 208 N -0.81 0.38 0.23 1.25 0.00 -0.55 -0.75 119.26 119.00 1smy h ALA 208 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1smy h ALA 208 Cb 0.25 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1smy h ALA 208 CO -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 179.25 178.77 1smy h ARG 209 N 0.15 -0.30 0.00 0.00 -0.00 -1.66 -2.25 114.38 110.33 1smy h ARG 209 Ca 0.18 0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.66 1smy h ARG 209 Cb 0.24 0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.27 1smy h ARG 209 CO -0.27 -0.04 -0.14 0.93 0.00 0.00 0.00 179.97 180.45 1smy h GLU 210 N -1.02 0.00 0.00 0.04 5.08 -1.58 -3.18 114.58 113.92 1smy h GLU 210 Ca -0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1smy h GLU 210 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1smy h GLU 210 CO 0.05 0.14 -1.63 -0.11 -1.00 0.00 0.00 179.01 176.46 1smy n LEU 211 N -3.24 1.76 -2.99 1.33 7.94 -0.29 -4.82 117.00 116.68 1smy n LEU 211 Ca 0.01 0.30 -0.29 0.00 -1.11 0.00 0.00 56.01 54.92 1smy n LEU 211 Cb 0.42 -0.70 -0.03 0.00 0.53 0.00 0.00 43.42 43.64 1smy n LEU 211 CO 0.32 0.09 0.32 0.61 -1.11 0.00 0.00 177.39 177.62 1smy n GLY 212 N 1.61 5.71 0.13 -3.96 0.00 -0.86 -4.68 105.19 103.14 1smy n GLY 212 Ca -0.30 -2.76 -0.22 0.00 0.00 0.00 0.00 46.02 42.74 1smy n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy h ALA 213 N 3.10 0.09 0.00 4.61 0.00 -1.50 -3.18 119.26 122.38 1smy h ALA 213 Ca 0.20 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1smy h ALA 213 Cb 0.50 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1smy h ALA 213 CO 0.87 0.80 0.00 2.48 0.00 0.00 0.00 179.25 183.40 1smy n TYR 214 N -3.83 0.06 -3.67 0.00 0.18 -1.26 -4.48 117.16 104.16 1smy n TYR 214 Ca -0.22 0.02 -0.38 0.00 1.88 0.00 0.00 57.90 59.19 1smy n TYR 214 Cb 0.97 -0.53 -0.10 0.00 -0.38 0.00 0.00 39.34 39.30 1smy n TYR 214 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1smy s GLY 215 N -3.04 2.17 0.53 -7.48 0.00 -1.20 -4.92 107.32 93.37 1smy s GLY 215 Ca 0.14 -2.76 0.27 0.00 0.00 0.00 0.00 44.72 42.37 1smy s GLY 215 CO 0.53 1.09 1.95 1.05 0.00 0.00 0.00 173.10 177.72 1smy h GLU 216 N 7.91 0.02 0.00 2.90 9.09 -1.78 -1.15 114.58 131.58 1smy h GLU 216 Ca -0.12 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.29 1smy h GLU 216 Cb 1.03 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 1smy h GLU 216 CO 0.76 0.02 0.36 -0.07 0.05 0.00 0.00 179.01 180.13 1smy h LEU 217 N 0.02 0.00 -1.51 3.06 3.38 -1.91 -2.00 115.31 116.35 1smy h LEU 217 Ca 0.33 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.36 1smy h LEU 217 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1smy h LEU 217 CO -0.01 0.00 0.59 0.58 0.09 0.00 0.00 178.44 179.68 1smy h VAL 218 N 0.00 0.09 0.00 1.22 2.07 -1.41 0.44 116.25 118.66 1smy h VAL 218 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1smy h VAL 218 Cb 0.73 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1smy h VAL 218 CO 0.00 0.00 -0.15 1.56 0.02 0.00 0.00 177.57 179.00 1smy h GLN 219 N 0.00 0.00 -0.24 1.57 4.20 -1.63 -1.26 115.11 117.75 1smy h GLN 219 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1smy h GLN 219 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1smy h GLN 219 CO -0.00 0.15 0.00 0.41 -0.67 0.00 0.00 178.83 178.72 1smy n GLY 220 N -0.96 0.04 0.40 3.46 0.00 0.16 -3.66 105.19 104.63 1smy n GLY 220 Ca -0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1smy n GLY 220 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1smy n LEU 221 N 0.07 1.64 -0.42 0.99 -0.00 -0.49 -4.62 117.00 114.18 1smy n LEU 221 Ca 0.06 0.10 0.03 0.00 -0.00 0.00 0.00 56.01 56.20 1smy n LEU 221 Cb 0.19 -0.44 0.09 0.00 -0.00 0.00 0.00 43.42 43.26 1smy n LEU 221 CO 0.05 0.44 0.56 1.15 -0.00 0.00 0.00 177.39 179.58 1smy n MET 222 N -3.40 1.52 0.00 1.47 0.00 -1.13 -4.54 117.12 111.04 1smy n MET 222 Ca -0.27 -0.72 0.00 0.00 0.00 0.00 0.00 57.70 56.71 1smy n MET 222 Cb 0.72 -1.21 0.00 0.00 0.00 0.00 0.00 33.22 32.72 1smy n MET 222 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1smy n ASP 223 N 0.09 0.00 -4.40 3.17 10.43 -1.24 -3.97 116.55 120.62 1smy n ASP 223 Ca 0.07 0.44 -0.28 0.00 2.57 0.00 0.00 54.79 57.58 1smy n ASP 223 Cb 0.20 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.09 1smy n ASP 223 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1smy n GLU 224 N -0.48 1.22 0.15 -1.24 -0.58 -1.26 -4.65 120.64 113.79 1smy n GLU 224 Ca 0.00 -2.17 0.00 0.00 -0.42 0.00 0.00 57.16 54.57 1smy n GLU 224 Cb 0.00 -3.61 0.25 0.00 -0.57 0.00 0.00 31.44 27.51 1smy n GLU 224 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1smy h SER 225 N 9.86 0.02 -1.01 1.62 4.64 -1.92 -3.00 113.55 123.76 1smy h SER 225 Ca 0.21 -0.01 0.25 0.00 -0.47 0.00 0.00 61.79 61.77 1smy h SER 225 Cb 0.90 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.90 1smy h SER 225 CO 1.32 0.52 0.65 1.62 -0.87 0.00 0.00 176.83 180.07 1smy h VAL 226 N 0.02 0.56 0.03 0.95 3.04 -1.94 -1.17 116.25 117.73 1smy h VAL 226 Ca -0.00 -0.15 -0.34 0.00 -1.01 0.00 0.00 66.70 65.20 1smy h VAL 226 Cb 0.90 0.10 -0.05 0.00 -2.01 0.00 0.00 31.29 30.23 1smy h VAL 226 CO 0.07 0.08 -2.03 0.49 -1.01 0.00 0.00 177.57 175.16 1smy n PHE 227 N -4.62 0.70 1.04 3.17 0.99 -1.20 -4.19 117.46 113.35 1smy n PHE 227 Ca 0.24 0.21 0.04 0.00 -0.00 0.00 0.00 57.45 57.94 1smy n PHE 227 Cb 0.82 -1.11 0.26 0.00 -1.00 0.00 0.00 39.48 38.45 1smy n PHE 227 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1smy n ALA 228 N -2.78 2.07 0.61 4.37 0.00 -0.49 -2.59 120.51 121.70 1smy n ALA 228 Ca -0.28 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.20 1smy n ALA 228 Cb 1.07 -1.14 0.09 0.00 0.00 0.00 0.00 19.45 19.47 1smy n ALA 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1smy n MET 229 N -0.76 1.56 -3.81 0.00 2.81 -0.93 -4.75 117.12 111.24 1smy n MET 229 Ca 0.06 -1.62 -0.30 0.00 -1.81 0.00 0.00 57.70 54.03 1smy n MET 229 Cb 0.03 -1.34 -0.15 0.00 -0.71 0.00 0.00 33.22 31.05 1smy n MET 229 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1smy s ARG 230 N -1.40 0.93 0.00 0.03 3.03 -1.07 -5.10 118.95 115.37 1smy s ARG 230 Ca 0.22 -1.30 0.00 0.00 2.03 0.00 0.00 55.73 56.68 1smy s ARG 230 Cb 0.15 -2.33 0.00 0.00 -1.03 0.00 0.00 34.95 31.74 1smy s ARG 230 CO 0.22 -0.98 0.00 -2.30 -1.13 0.00 0.00 175.30 171.11 1smy n PRO 231 N 4.67 0.00 0.14 3.89 -0.02 -1.26 -1.78 135.00 140.65 1smy n PRO 231 Ca -0.00 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.56 1smy n PRO 231 Cb 0.42 0.00 0.47 0.00 -0.02 0.00 0.00 33.50 34.37 1smy n PRO 231 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1smy n GLU 232 N 0.00 0.11 -0.08 -0.52 2.13 -1.26 -0.36 120.64 120.66 1smy n GLU 232 Ca 0.00 0.60 -0.11 0.00 0.66 0.00 0.00 57.16 58.31 1smy n GLU 232 Cb 0.00 -1.95 0.03 0.00 0.27 0.00 0.00 31.44 29.80 1smy n GLU 232 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1smy h GLU 233 N 0.00 0.79 -0.16 5.31 4.22 -1.97 -2.48 114.58 120.29 1smy h GLU 233 Ca 0.00 -0.40 0.05 0.00 0.08 0.00 0.00 59.36 59.08 1smy h GLU 233 Cb 0.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1smy h GLU 233 CO 0.00 1.03 0.13 0.00 -2.18 0.00 0.00 179.01 177.99 1smy h ALA 234 N 0.92 2.05 -0.13 2.92 0.00 0.13 0.99 119.26 126.13 1smy h ALA 234 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1smy h ALA 234 Cb 0.93 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1smy h ALA 234 CO 0.09 -0.21 0.03 1.25 0.00 0.00 0.00 179.25 180.40 1smy h LEU 235 N 0.00 0.20 -0.63 0.00 6.46 -1.50 -0.70 115.31 119.15 1smy h LEU 235 Ca 0.08 -0.25 -0.13 0.00 -0.12 0.00 0.00 57.88 57.46 1smy h LEU 235 Cb 0.33 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1smy h LEU 235 CO -0.00 0.40 -0.63 0.40 -0.62 0.00 0.00 178.44 177.99 1smy h ILE 236 N -0.00 1.36 -0.02 4.05 2.04 -1.36 -2.74 117.51 120.83 1smy h ILE 236 Ca 0.04 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1smy h ILE 236 Cb 0.28 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1smy h ILE 236 CO 0.00 0.62 0.02 -0.09 0.00 0.00 0.00 178.15 178.70 1smy h ARG 237 N 0.00 0.03 -0.37 2.37 9.65 -0.57 -0.80 114.38 124.70 1smy h ARG 237 Ca -0.01 -0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.78 1smy h ARG 237 Cb 1.18 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.74 1smy h ARG 237 CO 0.08 0.04 -0.16 -0.07 2.80 0.00 0.00 179.97 182.67 1smy h LEU 238 N 0.02 0.67 -0.87 3.80 3.38 -1.15 -1.73 115.31 119.42 1smy h LEU 238 Ca 0.01 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.88 1smy h LEU 238 Cb 0.02 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 1smy h LEU 238 CO -0.00 0.84 0.51 -0.26 0.09 0.00 0.00 178.44 179.61 1smy h PHE 239 N 0.60 0.91 -0.14 1.13 0.04 -1.13 0.29 116.94 118.65 1smy h PHE 239 Ca 0.10 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 1smy h PHE 239 Cb 0.61 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1smy h PHE 239 CO 0.03 0.35 -0.22 1.15 -0.60 0.00 0.00 178.31 179.02 1smy h THR 240 N 0.82 1.22 0.00 -1.55 2.02 -0.52 -2.61 112.91 112.29 1smy h THR 240 Ca 0.43 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.51 1smy h THR 240 Cb 0.44 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1smy h THR 240 CO -0.27 0.32 -0.31 -0.07 0.37 0.00 0.00 175.52 175.56 1smy h LEU 241 N 0.23 0.00-10.45 2.58 3.38 0.42 -3.43 115.31 108.03 1smy h LEU 241 Ca 0.04 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.55 1smy h LEU 241 Cb 0.52 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.41 1smy h LEU 241 CO 0.04 0.31 0.28 -0.22 0.09 0.00 0.00 178.44 178.94 1smy s LEU 242 N -7.51 2.01 -0.17 1.67 0.20 -0.78 -5.06 118.68 109.03 1smy s LEU 242 Ca -0.02 1.05 -0.05 0.00 0.69 0.00 0.00 54.13 55.81 1smy s LEU 242 Cb 0.13 -3.39 0.07 0.00 -0.43 0.00 0.00 46.19 42.57 1smy s LEU 242 CO 0.67 -2.59 0.12 0.00 -0.29 0.00 0.00 176.35 174.26 1smy s ARG 243 N -5.20 0.09 0.00 1.98 1.04 -1.26 -4.83 118.95 110.77 1smy s ARG 243 Ca 0.64 0.02 0.00 0.00 -1.04 0.00 0.00 55.73 55.34 1smy s ARG 243 Cb -0.15 -1.60 0.00 0.00 -2.04 0.00 0.00 34.95 31.15 1smy s ARG 243 CO 0.54 -0.65 0.00 -2.30 -0.04 0.00 0.00 175.30 172.86 1smy n PRO 244 N 5.29 0.00 0.00 3.89 -0.02 -1.26 -5.02 135.00 137.88 1smy n PRO 244 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1smy n PRO 244 Cb 0.49 -0.28 0.00 0.00 -0.02 0.00 0.00 33.50 33.70 1smy n PRO 244 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 245 N 0.53 0.93 2.40 -1.23 0.00 -1.26 -5.11 105.19 101.45 1smy n GLY 245 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1smy n GLY 245 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smy n ASP 246 N 0.00 -1.13 -4.77 1.61 8.00 -1.26 -4.89 116.55 114.11 1smy n ASP 246 Ca 0.00 0.76 -0.41 0.00 0.71 0.00 0.00 54.79 55.85 1smy n ASP 246 Cb 0.00 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.43 1smy n ASP 246 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1smy s PRO 247 N -0.71 4.20 -0.15 -0.24 0.02 -1.26 -4.90 135.00 131.95 1smy s PRO 247 Ca 0.45 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.93 1smy s PRO 247 Cb -0.62 -3.01 0.25 0.00 0.02 0.00 0.00 34.50 31.15 1smy s PRO 247 CO 0.41 -0.42 1.28 -2.30 -0.33 0.00 0.00 177.00 175.64 1smy n PRO 248 N 0.70 1.60 -2.91 5.54 -0.02 -1.26 -4.34 135.00 134.31 1smy n PRO 248 Ca 0.01 -1.11 -0.13 0.00 -2.02 0.00 0.00 63.50 60.25 1smy n PRO 248 Cb 0.40 -1.48 0.02 0.00 -0.02 0.00 0.00 33.50 32.41 1smy n PRO 248 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1smy n LYS 249 N -0.05 1.05 -3.28 -0.52 2.85 -1.26 -4.93 118.16 112.03 1smy n LYS 249 Ca 0.20 -3.04 -0.36 0.00 -1.05 0.00 0.00 58.31 54.06 1smy n LYS 249 Cb 0.88 -1.33 -0.03 0.00 -0.65 0.00 0.00 35.03 33.90 1smy n LYS 249 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1smy n ARG 250 N 0.10 3.46 0.00 -1.58 1.85 -1.26 -5.03 116.66 114.19 1smy n ARG 250 Ca 0.15 -4.58 0.00 0.00 -1.00 0.00 0.00 57.85 52.42 1smy n ARG 250 Cb 0.74 -2.41 0.00 0.00 -1.05 0.00 0.00 32.46 29.74 1smy n ARG 250 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1smy n ASP 251 N 1.40 0.00 -1.50 2.89 10.43 -1.26 -1.28 116.55 127.23 1smy n ASP 251 Ca 0.26 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 57.49 1smy n ASP 251 Cb 0.37 0.00 0.11 0.00 1.84 0.00 0.00 41.12 43.44 1smy n ASP 251 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1smy n LYS 252 N 0.00 2.62 0.00 -1.24 4.01 -1.26 -4.97 118.16 117.32 1smy n LYS 252 Ca 0.00 -3.66 0.00 0.00 -0.51 0.00 0.00 58.31 54.14 1smy n LYS 252 Cb 0.00 -2.01 0.00 0.00 -0.51 0.00 0.00 35.03 32.51 1smy n LYS 252 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1smy n ALA 253 N -0.93 0.00 0.27 7.82 0.00 -0.41 -3.05 120.51 124.22 1smy n ALA 253 Ca 0.37 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.97 1smy n ALA 253 Cb 0.89 0.00 0.87 0.00 0.00 0.00 0.00 19.45 21.20 1smy n ALA 253 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1smy h VAL 254 N 0.00 0.00 0.00 0.00 3.04 -1.94 0.69 116.25 118.04 1smy h VAL 254 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 1smy h VAL 254 Cb 0.00 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 29.98 1smy h VAL 254 CO 0.00 0.00 -0.25 0.00 -1.01 0.00 0.00 177.57 176.31 1smy h ALA 255 N 1.75 1.50 0.53 3.17 0.00 -1.92 -3.02 119.26 121.28 1smy h ALA 255 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1smy h ALA 255 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1smy h ALA 255 CO 0.00 0.31 -0.34 -0.92 0.00 0.00 0.00 179.25 178.30 1smy h TYR 256 N 0.00 -0.89 -0.57 0.00 5.03 -0.77 -3.17 116.97 116.61 1smy h TYR 256 Ca -0.00 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.36 1smy h TYR 256 Cb 0.46 0.32 -0.09 0.00 1.55 0.00 0.00 36.73 38.96 1smy h TYR 256 CO 0.00 -0.51 -0.55 0.28 -1.32 0.00 0.00 178.16 176.06 1smy h VAL 257 N -0.83 0.01 0.00 1.81 2.07 -1.65 0.43 116.25 118.09 1smy h VAL 257 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1smy h VAL 257 Cb 0.68 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1smy h VAL 257 CO 0.06 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.43 1smy n TYR 258 N -5.35 0.00 0.00 1.57 4.02 -1.21 -4.14 117.16 112.05 1smy n TYR 258 Ca -0.02 -0.47 0.00 0.00 -0.01 0.00 0.00 57.90 57.40 1smy n TYR 258 Cb 0.32 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1smy n TYR 258 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1smy n GLY 259 N 0.69 0.28 0.00 2.72 0.00 0.14 -4.89 105.19 104.13 1smy n GLY 259 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1smy n GLY 259 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1smy n LEU 260 N -0.52 0.30 0.00 0.99 7.94 -0.76 -2.76 117.00 122.19 1smy n LEU 260 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1smy n LEU 260 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1smy n LEU 260 CO 0.00 0.00 0.00 -0.38 -1.11 0.00 0.00 177.39 175.90 1smy n ILE 261 N -0.30 0.00 0.00 1.96 5.41 -1.26 -4.45 119.36 120.72 1smy n ILE 261 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1smy n ILE 261 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1smy n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1smy n ALA 262 N -3.00 0.00 -0.17 -1.39 0.00 -1.26 -3.94 120.51 110.75 1smy n ALA 262 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1smy n ALA 262 Cb 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 1smy n ALA 262 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1smy h ASP 263 N 0.00 -1.31 0.32 0.00 3.45 -1.77 -3.30 116.42 113.80 1smy h ASP 263 Ca 0.00 0.18 -0.02 0.00 0.43 0.00 0.00 57.03 57.63 1smy h ASP 263 Cb 0.00 0.56 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 1smy h ASP 263 CO 0.00 -0.22 -0.15 -0.65 -1.57 0.00 0.00 179.24 176.65 1smy h PRO 264 N -0.16 -0.41 0.00 3.56 0.11 -1.78 -3.35 132.00 129.97 1smy h PRO 264 Ca 0.07 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1smy h PRO 264 Cb 0.34 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1smy h PRO 264 CO -0.48 -0.09 0.00 -2.13 -0.21 0.00 0.00 178.00 175.09 1smy n ARG 265 N -5.08 0.00 -3.79 1.05 0.63 -1.25 -4.55 116.66 103.66 1smy n ARG 265 Ca -0.08 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.48 1smy n ARG 265 Cb 0.26 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.05 1smy n ARG 265 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1smy s ARG 266 N 0.00 2.18 0.00 -0.14 3.00 -1.26 -4.53 118.95 118.21 1smy s ARG 266 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 55.73 54.10 1smy s ARG 266 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 34.95 31.45 1smy s ARG 266 CO 0.00 -0.93 0.00 0.66 0.00 0.00 0.00 175.30 175.03 1smy n TYR 267 N 4.64 0.00 -4.39 -0.53 0.53 -1.26 -4.46 117.16 111.69 1smy n TYR 267 Ca -0.06 0.00 -0.26 0.00 -1.02 0.00 0.00 57.90 56.56 1smy n TYR 267 Cb 0.42 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.61 1smy n TYR 267 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1smy s ASP 268 N 0.00 3.23 0.05 7.72 1.01 -1.26 -5.06 116.67 122.37 1smy s ASP 268 Ca 0.00 -0.82 -0.31 0.00 0.71 0.00 0.00 52.55 52.13 1smy s ASP 268 Cb 0.00 -0.22 -0.06 0.00 1.01 0.00 0.00 42.92 43.65 1smy s ASP 268 CO 0.00 0.11 1.31 -0.76 0.21 0.00 0.00 175.17 176.04 1smy s LEU 269 N -2.47 4.35 0.00 1.23 1.43 -1.26 -2.87 118.68 119.09 1smy s LEU 269 Ca 0.17 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1smy s LEU 269 Cb -0.08 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1smy s LEU 269 CO 0.08 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.67 1smy n GLY 270 N 3.43 2.86 0.00 -3.19 0.00 -1.26 -4.77 105.19 102.26 1smy n GLY 270 Ca 0.11 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.39 1smy n GLY 270 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1smy n GLU 271 N 0.00 4.09 0.39 1.61 1.02 -1.26 -4.26 120.64 122.23 1smy n GLU 271 Ca 0.00 -0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.97 1smy n GLU 271 Cb 0.00 -0.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.56 1smy n GLU 271 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1smy h ALA 272 N 0.42 -1.10 0.00 0.62 0.00 -1.79 -3.38 119.26 114.02 1smy h ALA 272 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1smy h ALA 272 Cb 0.10 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1smy h ALA 272 CO 0.00 -1.03 -1.55 0.41 0.00 0.00 0.00 179.25 177.08 1smy n GLY 273 N -1.02 -0.14 0.45 0.00 0.00 -1.26 -4.68 105.19 98.54 1smy n GLY 273 Ca -0.13 -0.06 0.31 0.00 0.00 0.00 0.00 46.02 46.14 1smy n GLY 273 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1smy h ARG 274 N -0.02 0.21 0.24 1.61 3.08 -1.81 0.15 114.38 117.84 1smy h ARG 274 Ca -0.22 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.83 1smy h ARG 274 Cb 1.33 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.31 1smy h ARG 274 CO -0.04 0.14 -0.29 -0.92 -1.07 0.00 0.00 179.97 177.79 1smy h TYR 275 N 0.21 -0.77 -0.84 3.04 3.20 -1.75 0.66 116.97 120.73 1smy h TYR 275 Ca 0.70 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.69 1smy h TYR 275 Cb 2.10 0.31 -0.08 0.00 1.54 0.00 0.00 36.73 40.59 1smy h TYR 275 CO -0.00 -0.41 0.47 0.87 -1.64 0.00 0.00 178.16 177.45 1smy h LYS 276 N -0.57 0.73 0.00 1.82 6.56 -1.02 -0.48 116.57 123.61 1smy h LYS 276 Ca 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1smy h LYS 276 Cb 0.55 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1smy h LYS 276 CO -0.09 0.49 0.00 0.00 -2.06 0.00 0.00 179.45 177.78 1smy n ALA 277 N -2.39 0.00 -0.34 3.86 0.00 -0.53 -2.22 120.51 118.89 1smy n ALA 277 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.68 1smy n ALA 277 Cb 0.32 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.97 1smy n ALA 277 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1smy h GLU 278 N 0.00 0.01 -0.10 0.00 4.81 0.32 0.41 114.58 120.03 1smy h GLU 278 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1smy h GLU 278 Cb 0.00 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1smy h GLU 278 CO 0.00 0.00 -0.03 1.05 -0.73 0.00 0.00 179.01 179.31 1smy h GLU 279 N 0.01 0.19 0.09 1.92 4.11 -1.20 -3.37 114.58 116.32 1smy h GLU 279 Ca 0.52 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.87 1smy h GLU 279 Cb 0.92 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1smy h GLU 279 CO -0.96 0.51 -0.04 0.87 0.07 0.00 0.00 179.01 179.45 1smy h LYS 280 N -0.14 -0.11 -3.61 1.06 1.57 -0.84 -3.48 116.57 111.02 1smy h LYS 280 Ca 0.02 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 1smy h LYS 280 Cb 0.44 0.03 -0.20 0.00 0.08 0.00 0.00 32.23 32.58 1smy h LYS 280 CO 0.01 0.27 -0.50 -0.48 -0.57 0.00 0.00 179.45 178.18 1smy s LEU 281 N -8.65 1.64 0.00 2.94 2.34 0.14 -5.08 118.68 112.01 1smy s LEU 281 Ca -0.09 -0.31 0.00 0.00 0.06 0.00 0.00 54.13 53.79 1smy s LEU 281 Cb -0.01 0.64 0.00 0.00 -0.56 0.00 0.00 46.19 46.27 1smy s LEU 281 CO 0.33 -0.41 0.00 0.61 -1.06 0.00 0.00 176.35 175.82 1smy n GLY 282 N 1.26 -0.55 2.00 -3.48 0.00 -1.26 -3.43 105.19 99.73 1smy n GLY 282 Ca -0.22 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1smy n GLY 282 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1smy n ILE 283 N -0.18 0.00 -4.43 -0.61 5.41 -1.26 -4.60 119.36 113.69 1smy n ILE 283 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 1smy n ILE 283 Cb 0.00 -0.48 -0.11 0.00 -0.71 0.00 0.00 39.64 38.34 1smy n ILE 283 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1smy s ARG 284 N -2.00 1.60 -0.44 0.38 3.52 -1.26 -4.50 118.95 116.25 1smy s ARG 284 Ca 0.00 -1.88 0.06 0.00 -0.13 0.00 0.00 55.73 53.78 1smy s ARG 284 Cb 0.00 -0.80 0.19 0.00 -1.56 0.00 0.00 34.95 32.77 1smy s ARG 284 CO 0.00 -0.18 0.71 -1.17 -0.81 0.00 0.00 175.30 173.85 1smy s LEU 285 N -3.46 -1.39 0.21 -0.88 2.96 -1.26 -4.67 118.68 110.20 1smy s LEU 285 Ca 0.36 -1.06 -0.32 0.00 -0.22 0.00 0.00 54.13 52.88 1smy s LEU 285 Cb 0.08 1.79 -0.13 0.00 0.50 0.00 0.00 46.19 48.44 1smy s LEU 285 CO 0.15 -0.11 1.60 -0.24 -1.32 0.00 0.00 176.35 176.43 1smy n SER 286 N 3.79 3.47 -0.22 3.68 2.88 -1.26 -4.35 113.62 121.61 1smy n SER 286 Ca 0.13 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1smy n SER 286 Cb 0.57 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1smy n SER 286 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1smy n GLY 287 N 3.19 -3.51 0.00 0.46 0.00 -1.26 -4.05 105.19 100.02 1smy n GLY 287 Ca 0.14 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1smy n GLY 287 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1smy n ARG 288 N -0.34 0.00 -3.35 1.61 3.00 -1.26 -4.40 116.66 111.91 1smy n ARG 288 Ca 0.00 0.17 -0.22 0.00 -0.00 0.00 0.00 57.85 57.80 1smy n ARG 288 Cb 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 32.46 32.19 1smy n ARG 288 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1smy s THR 289 N -1.72 1.97 -0.09 5.15 -4.23 -1.26 -4.78 115.64 110.68 1smy s THR 289 Ca 0.00 -1.18 -0.05 0.00 -1.18 0.00 0.00 61.69 59.28 1smy s THR 289 Cb 0.00 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.63 1smy s THR 289 CO 0.00 0.00 0.94 0.00 -0.54 0.00 0.00 174.62 175.02 1smy n LEU 290 N -2.06 -1.09 -4.41 4.79 -0.00 -1.26 -4.81 117.00 108.16 1smy n LEU 290 Ca 0.09 -1.15 -0.21 0.00 -0.00 0.00 0.00 56.01 54.74 1smy n LEU 290 Cb 0.63 -0.45 -0.10 0.00 -0.00 0.00 0.00 43.42 43.49 1smy n LEU 290 CO 0.40 -1.57 -0.43 0.00 -0.00 0.00 0.00 177.39 175.78 1smy s ALA 291 N 3.23 2.35 0.00 1.47 0.00 -1.11 -3.90 121.76 123.80 1smy s ALA 291 Ca 0.12 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1smy s ALA 291 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1smy s ALA 291 CO 0.04 0.10 0.00 -2.13 0.00 0.00 0.00 175.76 173.77 1smy n ARG 292 N -0.52 0.00 -1.17 0.00 0.63 -1.26 -4.67 116.66 109.67 1smy n ARG 292 Ca -0.06 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.83 1smy n ARG 292 Cb 0.61 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.48 1smy n ARG 292 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 1smy n PHE 293 N -0.94 -0.02 -0.08 -0.14 -1.74 -1.26 -4.70 117.46 108.57 1smy n PHE 293 Ca 0.00 -0.53 -0.14 0.00 -0.56 0.00 0.00 57.45 56.22 1smy n PHE 293 Cb 0.00 0.33 -0.08 0.00 1.52 0.00 0.00 39.48 41.25 1smy n PHE 293 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 1smy h GLU 294 N 0.30 0.00 -0.38 3.97 4.57 -1.98 -3.41 114.58 117.65 1smy h GLU 294 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1smy h GLU 294 Cb 1.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 1smy h GLU 294 CO -0.18 0.64 0.00 -0.25 -1.18 0.00 0.00 179.01 178.04 1smy n ASP 295 N -4.55 3.05 0.00 1.04 10.43 -1.26 -4.94 116.55 120.32 1smy n ASP 295 Ca -0.19 -2.02 0.00 0.00 2.57 0.00 0.00 54.79 55.15 1smy n ASP 295 Cb 0.47 -0.26 0.00 0.00 1.84 0.00 0.00 41.12 43.17 1smy n ASP 295 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1smy n GLY 296 N 0.60 2.41 3.35 0.44 0.00 -1.26 -4.90 105.19 105.83 1smy n GLY 296 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1smy n GLY 296 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1smy s GLU 297 N 0.00 3.28 0.75 1.61 2.12 -1.26 -4.94 118.70 120.26 1smy s GLU 297 Ca 0.00 -1.84 -0.13 0.00 0.36 0.00 0.00 54.97 53.37 1smy s GLU 297 Cb 0.00 -4.41 0.05 0.00 0.26 0.00 0.00 34.13 30.03 1smy s GLU 297 CO 0.00 -1.44 1.14 -0.06 -0.54 0.00 0.00 175.26 174.36 1smy s PHE 298 N 1.62 2.28 -0.03 5.30 0.40 -1.26 -4.92 117.98 121.36 1smy s PHE 298 Ca 0.14 1.61 0.04 0.00 -0.60 0.00 0.00 56.93 58.12 1smy s PHE 298 Cb -0.19 -3.25 -0.00 0.00 0.51 0.00 0.00 43.02 40.09 1smy s PHE 298 CO -0.01 -2.16 -0.13 -1.59 0.70 0.00 0.00 175.22 172.03 1smy s LYS 299 N -4.35 1.33 -0.45 0.44 -2.85 -1.26 -4.87 119.74 107.72 1smy s LYS 299 Ca 0.67 -0.46 0.02 0.00 -1.00 0.00 0.00 55.97 55.21 1smy s LYS 299 Cb -0.22 -1.20 0.14 0.00 -2.06 0.00 0.00 37.83 34.49 1smy s LYS 299 CO 0.49 0.20 0.25 0.16 0.10 0.00 0.00 175.35 176.55 1smy s ASP 300 N 0.05 3.64 0.00 0.03 -4.77 -1.26 -4.30 116.67 110.05 1smy s ASP 300 Ca -0.02 -2.70 0.00 0.00 -3.30 0.00 0.00 52.55 46.53 1smy s ASP 300 Cb -0.09 -1.06 0.00 0.00 -1.09 0.00 0.00 42.92 40.68 1smy s ASP 300 CO 0.01 -0.26 0.58 -0.62 0.70 0.00 0.00 175.17 175.58 1smy n GLU 301 N 3.45 0.85 -0.01 2.11 1.02 -1.26 -3.75 120.64 123.05 1smy n GLU 301 Ca 0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.22 1smy n GLU 301 Cb 0.35 -1.28 -0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1smy n GLU 301 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1smy n VAL 302 N -0.13 0.07 -0.31 2.62 3.14 -1.26 -4.68 118.33 117.77 1smy n VAL 302 Ca 0.00 -0.02 0.03 0.00 -2.96 0.00 0.00 64.34 61.39 1smy n VAL 302 Cb 0.14 -1.34 0.17 0.00 -1.06 0.00 0.00 33.84 31.74 1smy n VAL 302 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 1smy h PHE 303 N -0.04 0.96 0.03 1.45 0.05 -1.98 -2.89 116.94 114.52 1smy h PHE 303 Ca -0.03 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 1smy h PHE 303 Cb 1.03 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 38.68 1smy h PHE 303 CO -0.00 0.43 -0.01 1.25 -0.18 0.00 0.00 178.31 179.79 1smy h LEU 304 N 0.90 -0.03 -1.66 1.54 5.85 -1.89 -3.27 115.31 116.75 1smy h LEU 304 Ca 0.40 -0.48 0.15 0.00 0.84 0.00 0.00 57.88 58.79 1smy h LEU 304 Cb 0.29 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1smy h LEU 304 CO -0.22 0.48 0.48 -0.65 -0.34 0.00 0.00 178.44 178.19 1smy h PRO 305 N -0.56 0.33 -0.38 5.25 0.11 -1.80 0.84 132.00 135.79 1smy h PRO 305 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1smy h PRO 305 Cb 0.52 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1smy h PRO 305 CO 0.01 0.22 0.25 1.79 -0.21 0.00 0.00 178.00 180.05 1smy h THR 306 N 0.34 1.10 -0.12 -1.15 1.35 -1.56 0.25 112.91 113.11 1smy h THR 306 Ca 0.34 -0.19 -0.15 0.00 -0.55 0.00 0.00 66.41 65.86 1smy h THR 306 Cb 0.87 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 1smy h THR 306 CO -0.09 0.10 -0.58 0.25 -0.25 0.00 0.00 175.52 174.94 1smy h LEU 307 N 0.51 0.44 -0.20 3.87 5.85 -1.44 -1.51 115.31 122.83 1smy h LEU 307 Ca 0.14 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1smy h LEU 307 Cb -0.05 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1smy h LEU 307 CO -0.03 0.93 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.77 1smy h ARG 308 N 0.29 -0.12 0.00 1.25 2.43 0.02 0.36 114.38 118.61 1smy h ARG 308 Ca -0.00 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1smy h ARG 308 Cb 1.11 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1smy h ARG 308 CO 0.10 -0.08 -0.23 1.88 -1.51 0.00 0.00 179.97 180.13 1smy h TYR 309 N -0.13 0.00 -0.08 2.20 -1.99 -0.43 0.45 116.97 116.99 1smy h TYR 309 Ca 0.11 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.80 1smy h TYR 309 Cb 0.30 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.03 1smy h TYR 309 CO -0.28 0.23 -0.13 1.25 -0.00 0.00 0.00 178.16 179.22 1smy h LEU 310 N 0.00 0.26 -1.22 3.88 5.85 -0.14 1.09 115.31 125.03 1smy h LEU 310 Ca -0.00 -0.53 0.07 0.00 0.84 0.00 0.00 57.88 58.25 1smy h LEU 310 Cb 0.81 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1smy h LEU 310 CO 0.03 0.74 0.56 -0.26 -0.34 0.00 0.00 178.44 179.17 1smy h PHE 311 N -0.21 0.95 0.03 1.25 0.05 -0.16 0.21 116.94 119.05 1smy h PHE 311 Ca 0.01 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1smy h PHE 311 Cb 0.69 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 38.33 1smy h PHE 311 CO 0.10 0.49 -0.01 0.00 -0.18 0.00 0.00 178.31 178.71 1smy h ALA 312 N 1.54 -0.04 -0.42 2.45 0.00 -0.50 -2.80 119.26 119.49 1smy h ALA 312 Ca 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1smy h ALA 312 Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1smy h ALA 312 CO -0.14 -0.33 0.17 1.25 0.00 0.00 0.00 179.25 180.20 1smy h LEU 313 N -0.42 0.59 0.00 0.00 5.85 0.17 -0.54 115.31 120.95 1smy h LEU 313 Ca -0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1smy h LEU 313 Cb 0.39 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1smy h LEU 313 CO 0.01 0.60 0.00 0.35 -0.34 0.00 0.00 178.44 179.05 1smy n THR 314 N -4.62 0.00 -4.26 1.05 -2.24 0.70 -4.66 114.28 100.25 1smy n THR 314 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1smy n THR 314 Cb 0.15 -0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 67.72 1smy n THR 314 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1smy s ALA 315 N -2.00 1.49 0.00 6.98 0.00 -0.21 -5.03 121.76 122.99 1smy s ALA 315 Ca 0.08 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1smy s ALA 315 Cb 0.04 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1smy s ALA 315 CO 0.06 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1smy n GLY 316 N -0.21 0.00 2.47 0.00 0.00 -1.26 -4.47 105.19 101.71 1smy n GLY 316 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1smy n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 317 N 0.00 0.12 0.15 1.61 1.01 -1.26 -4.89 120.40 117.14 1smy s VAL 317 Ca 0.00 -2.18 0.28 0.00 0.00 0.00 0.00 61.98 60.09 1smy s VAL 317 Cb 0.00 -1.06 0.30 0.00 0.00 0.00 0.00 36.38 35.62 1smy s VAL 317 CO 0.00 -1.03 1.92 -0.65 0.00 0.00 0.00 175.10 175.34 1smy h PRO 318 N 5.98 0.00 0.00 2.72 0.11 -1.79 -3.46 132.00 135.56 1smy h PRO 318 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1smy h PRO 318 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1smy h PRO 318 CO 0.30 0.12 0.00 0.41 -0.21 0.00 0.00 178.00 178.63 1smy n GLY 319 N 0.01 -1.44 3.25 -0.55 0.00 -1.26 -5.08 105.19 100.13 1smy n GLY 319 Ca 0.00 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 1smy n GLY 319 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1smy s HIS 320 N -2.72 3.45 -1.30 1.61 0.09 -1.26 -4.98 115.29 110.18 1smy s HIS 320 Ca 0.00 -1.84 -0.06 0.00 -0.00 0.00 0.00 55.06 53.15 1smy s HIS 320 Cb 0.00 -3.62 0.14 0.00 -0.00 0.00 0.00 32.58 29.10 1smy s HIS 320 CO 0.00 -0.98 2.22 0.39 -0.00 0.00 0.00 174.74 176.37 1smy n GLU 321 N 4.63 4.35 -4.79 1.40 -0.58 -1.26 -4.92 120.64 119.46 1smy n GLU 321 Ca -0.03 -3.52 -0.33 0.00 -0.42 0.00 0.00 57.16 52.86 1smy n GLU 321 Cb 0.42 -2.71 -0.14 0.00 -0.57 0.00 0.00 31.44 28.44 1smy n GLU 321 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1smy s VAL 322 N -0.82 3.10 -0.29 2.62 1.01 -1.26 -4.55 120.40 120.20 1smy s VAL 322 Ca 0.49 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1smy s VAL 322 Cb 0.16 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1smy s VAL 322 CO -0.06 0.54 0.12 -1.81 0.00 0.00 0.00 175.10 173.88 1smy s ASP 323 N 0.07 5.35 -0.91 3.32 1.01 -1.22 -4.99 116.67 119.32 1smy s ASP 323 Ca -0.05 -0.51 -0.22 0.00 0.71 0.00 0.00 52.55 52.48 1smy s ASP 323 Cb -0.15 -1.95 0.07 0.00 1.01 0.00 0.00 42.92 41.90 1smy s ASP 323 CO 0.04 -0.16 1.27 -0.62 0.21 0.00 0.00 175.17 175.92 1smy s ASP 324 N 1.58 6.45 0.29 0.27 -1.08 -1.26 -4.88 116.67 118.04 1smy s ASP 324 Ca 0.04 -1.43 0.03 0.00 -0.52 0.00 0.00 52.55 50.68 1smy s ASP 324 Cb -0.17 -2.50 0.70 0.00 -1.46 0.00 0.00 42.92 39.49 1smy s ASP 324 CO 0.05 -1.42 1.72 0.40 0.52 0.00 0.00 175.17 176.44 1smy h ILE 325 N 6.31 0.54 0.00 4.11 2.04 -1.98 0.15 117.51 128.68 1smy h ILE 325 Ca 0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1smy h ILE 325 Cb 1.03 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1smy h ILE 325 CO 1.29 0.09 0.00 0.47 0.00 0.00 0.00 178.15 179.99 1smy n ASP 326 N -4.98 0.58 -4.67 1.72 9.92 -1.26 -3.23 116.55 114.62 1smy n ASP 326 Ca 0.21 0.76 -0.44 0.00 -0.53 0.00 0.00 54.79 54.79 1smy n ASP 326 Cb 0.61 -0.84 -0.02 0.00 -0.64 0.00 0.00 41.12 40.22 1smy n ASP 326 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1smy n HIS 327 N -2.28 2.19 0.33 1.24 8.25 0.52 -4.70 115.22 120.77 1smy n HIS 327 Ca -0.01 0.44 0.14 0.00 -0.26 0.00 0.00 57.72 58.03 1smy n HIS 327 Cb 0.05 -2.46 0.61 0.00 1.12 0.00 0.00 29.99 29.31 1smy n HIS 327 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1smy h LEU 328 N 4.06 0.00 0.00 2.41 4.07 -1.83 0.24 115.31 124.27 1smy h LEU 328 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1smy h LEU 328 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1smy h LEU 328 CO 0.74 0.00 -0.19 0.61 -1.08 0.00 0.00 178.44 178.53 1smy n GLY 329 N -0.29 -1.50 0.24 0.83 0.00 -1.26 -4.02 105.19 99.19 1smy n GLY 329 Ca 0.01 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1smy n GLY 329 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1smy n ASN 330 N -1.80 1.80 -4.67 1.61 4.13 0.08 -4.83 115.26 111.57 1smy n ASN 330 Ca 0.06 0.19 -0.42 0.00 1.68 0.00 0.00 54.58 56.09 1smy n ASN 330 Cb 0.38 -0.60 -0.04 0.00 -1.54 0.00 0.00 39.78 37.98 1smy n ASN 330 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1smy s ARG 331 N -2.43 4.31 0.13 3.52 0.52 0.64 -0.44 118.95 125.20 1smy s ARG 331 Ca -0.32 1.09 0.03 0.00 -0.52 0.00 0.00 55.73 56.01 1smy s ARG 331 Cb 0.11 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 1smy s ARG 331 CO 0.43 -0.35 0.20 0.50 0.02 0.00 0.00 175.30 176.11 1smy s ARG 332 N 2.20 3.22 -0.00 3.54 3.52 0.12 -4.61 118.95 126.94 1smy s ARG 332 Ca 0.40 -0.66 -0.14 0.00 -0.13 0.00 0.00 55.73 55.20 1smy s ARG 332 Cb -0.17 -2.86 -0.06 0.00 -1.56 0.00 0.00 34.95 30.31 1smy s ARG 332 CO 0.13 0.53 0.39 -1.50 -0.81 0.00 0.00 175.30 174.04 1smy s ILE 333 N -1.66 5.07 -0.84 4.11 1.10 0.13 -1.21 121.20 127.90 1smy s ILE 333 Ca 0.33 0.77 -0.09 0.00 -0.51 0.00 0.00 60.65 61.14 1smy s ILE 333 Cb -0.11 -3.68 0.22 0.00 0.15 0.00 0.00 42.46 39.03 1smy s ILE 333 CO 0.26 0.56 0.75 -0.13 -2.11 0.00 0.00 174.94 174.28 1smy s ARG 334 N -1.13 3.43 0.71 3.50 0.52 0.11 -3.85 118.95 122.24 1smy s ARG 334 Ca 0.24 -2.69 -0.16 0.00 -0.52 0.00 0.00 55.73 52.60 1smy s ARG 334 Cb -0.16 -4.24 0.03 0.00 0.52 0.00 0.00 34.95 31.09 1smy s ARG 334 CO 0.13 -1.25 1.25 0.95 0.02 0.00 0.00 175.30 176.39 1smy s THR 335 N -0.28 2.10 0.22 0.02 -4.23 -1.26 -2.82 115.64 109.39 1smy s THR 335 Ca 0.21 0.05 -0.19 0.00 -1.18 0.00 0.00 61.69 60.58 1smy s THR 335 Cb -0.12 -2.76 0.20 0.00 1.34 0.00 0.00 72.50 71.16 1smy s THR 335 CO -0.08 -0.02 1.56 0.58 -0.54 0.00 0.00 174.62 176.12 1smy h VAL 336 N -0.09 0.03 -0.87 2.29 2.07 -1.86 -1.96 116.25 115.87 1smy h VAL 336 Ca -0.49 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.15 1smy h VAL 336 Cb 1.32 0.03 -0.13 0.00 -1.52 0.00 0.00 31.29 30.98 1smy h VAL 336 CO 0.50 0.00 -0.45 1.23 0.02 0.00 0.00 177.57 178.88 1smy h GLY 337 N -0.03 -0.29 1.00 2.17 0.00 -1.90 0.21 103.07 104.23 1smy h GLY 337 Ca 0.32 0.59 -0.00 0.00 0.00 0.00 0.00 47.33 48.24 1smy h GLY 337 CO -0.93 -0.13 0.38 -2.09 0.00 0.00 0.00 176.54 173.77 1smy h GLU 338 N -0.07 0.86 -0.16 4.80 4.81 -1.70 0.47 114.58 123.59 1smy h GLU 338 Ca 0.25 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 1smy h GLU 338 Cb 0.54 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1smy h GLU 338 CO -0.88 0.62 0.16 -0.07 -0.73 0.00 0.00 179.01 178.11 1smy h LEU 339 N 0.86 0.00 0.04 1.64 3.38 -0.34 0.11 115.31 121.01 1smy h LEU 339 Ca 0.23 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.85 1smy h LEU 339 Cb -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1smy h LEU 339 CO -0.04 0.00 -1.95 0.80 0.09 0.00 0.00 178.44 177.34 1smy n MET 340 N -3.92 0.64 0.27 1.13 1.56 0.04 -3.74 117.12 113.11 1smy n MET 340 Ca 0.01 0.35 0.11 0.00 -0.27 0.00 0.00 57.70 57.90 1smy n MET 340 Cb 0.29 -1.65 0.75 0.00 2.15 0.00 0.00 33.22 34.76 1smy n MET 340 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1smy h THR 341 N -0.50 0.79 0.45 1.12 1.03 0.24 0.31 112.91 116.34 1smy h THR 341 Ca -0.48 -0.10 -0.02 0.00 -0.01 0.00 0.00 66.41 65.79 1smy h THR 341 Cb 1.69 1.06 0.00 0.00 -1.07 0.00 0.00 68.15 69.84 1smy h THR 341 CO -0.14 0.03 -0.21 0.44 -0.01 0.00 0.00 175.52 175.62 1smy h ASP 342 N 0.00 -0.51 -0.56 0.00 3.32 -0.94 0.33 116.42 118.06 1smy h ASP 342 Ca -0.00 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.17 1smy h ASP 342 Cb 0.06 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1smy h ASP 342 CO 0.00 -0.32 0.38 -0.61 -1.72 0.00 0.00 179.24 176.97 1smy h GLN 343 N -0.69 0.33 -0.66 3.56 5.75 -1.57 0.48 115.11 122.31 1smy h GLN 343 Ca -0.06 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1smy h GLN 343 Cb 0.46 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.90 1smy h GLN 343 CO 0.10 0.22 0.42 0.35 -2.65 0.00 0.00 178.83 177.26 1smy h PHE 344 N 0.33 0.78 -0.27 3.99 3.04 -0.19 -1.53 116.94 123.10 1smy h PHE 344 Ca 0.26 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 62.07 1smy h PHE 344 Cb 0.58 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 1smy h PHE 344 CO -0.00 0.45 -0.50 -0.09 -2.02 0.00 0.00 178.31 176.16 1smy h ARG 345 N 0.82 0.73 -0.94 1.11 2.43 0.11 -2.06 114.38 116.59 1smy h ARG 345 Ca 0.26 -0.43 0.15 0.00 -0.81 0.00 0.00 59.98 59.15 1smy h ARG 345 Cb 0.00 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.51 1smy h ARG 345 CO -0.10 1.06 0.60 0.28 -1.51 0.00 0.00 179.97 180.30 1smy h VAL 346 N 0.58 0.81 -0.10 0.20 2.07 -0.32 -0.26 116.25 119.23 1smy h VAL 346 Ca 0.03 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1smy h VAL 346 Cb 1.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1smy h VAL 346 CO 0.10 0.14 -0.29 1.23 0.02 0.00 0.00 177.57 178.77 1smy h GLY 347 N 0.74 0.40 -0.10 2.17 0.00 -1.10 -2.67 103.07 102.51 1smy h GLY 347 Ca 0.49 -0.52 0.27 0.00 0.00 0.00 0.00 47.33 47.57 1smy h GLY 347 CO -0.25 0.46 0.69 1.41 0.00 0.00 0.00 176.54 178.86 1smy h LEU 348 N -0.09 0.31 0.14 3.11 4.07 -0.36 -0.31 115.31 122.18 1smy h LEU 348 Ca -0.01 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1smy h LEU 348 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1smy h LEU 348 CO 0.06 0.07 -0.07 0.00 -1.08 0.00 0.00 178.44 177.42 1smy h ALA 349 N 1.57 -0.19 -1.06 1.53 0.00 -1.24 -1.44 119.26 118.42 1smy h ALA 349 Ca 0.56 -0.22 0.29 0.00 0.00 0.00 0.00 54.91 55.54 1smy h ALA 349 Cb 1.64 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 19.39 1smy h ALA 349 CO -0.19 -0.24 0.66 0.00 0.00 0.00 0.00 179.25 179.47 1smy h ARG 350 N -0.92 0.38 -0.03 0.00 3.08 -0.86 0.48 114.38 116.50 1smy h ARG 350 Ca -0.02 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1smy h ARG 350 Cb 0.50 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1smy h ARG 350 CO 0.03 0.25 -0.26 1.25 -1.07 0.00 0.00 179.97 180.17 1smy h LEU 351 N 0.39 0.28 -2.79 3.04 5.85 -1.18 -2.96 115.31 117.94 1smy h LEU 351 Ca 0.65 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1smy h LEU 351 Cb 1.60 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 1smy h LEU 351 CO -0.39 0.94 0.02 0.00 -0.34 0.00 0.00 178.44 178.67 1smy h ALA 352 N 0.35 1.18 0.09 1.25 0.00 0.77 0.41 119.26 123.31 1smy h ALA 352 Ca -0.02 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1smy h ALA 352 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1smy h ALA 352 CO 0.05 -0.03 -1.33 0.00 0.00 0.00 0.00 179.25 177.94 1smy h ARG 353 N 0.00 0.19 0.19 0.00 3.08 -0.23 -3.08 114.38 114.52 1smy h ARG 353 Ca 0.00 -0.32 -0.31 0.00 0.07 0.00 0.00 59.98 59.43 1smy h ARG 353 Cb 0.05 0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.24 1smy h ARG 353 CO -0.00 1.08 -1.38 0.78 -1.07 0.00 0.00 179.97 179.38 1smy h GLY 354 N 2.06 0.45 1.25 0.04 0.00 -1.01 -3.32 103.07 102.54 1smy h GLY 354 Ca -0.16 -1.16 -0.06 0.00 0.00 0.00 0.00 47.33 45.96 1smy h GLY 354 CO 0.16 1.01 0.15 -0.24 0.00 0.00 0.00 176.54 177.62 1smy h VAL 355 N 0.11 1.24 -0.92 4.60 3.04 -1.10 -2.69 116.25 120.52 1smy h VAL 355 Ca -0.20 -0.87 0.12 0.00 -1.01 0.00 0.00 66.70 64.74 1smy h VAL 355 Cb 2.07 0.62 -0.07 0.00 -2.01 0.00 0.00 31.29 31.90 1smy h VAL 355 CO 0.23 0.33 0.59 -0.09 -1.01 0.00 0.00 177.57 177.62 1smy h ARG 356 N 0.90 0.81 -0.04 4.17 2.43 -1.63 0.14 114.38 121.16 1smy h ARG 356 Ca 0.19 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1smy h ARG 356 Cb 0.32 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1smy h ARG 356 CO -0.00 0.54 -0.29 0.93 -1.51 0.00 0.00 179.97 179.63 1smy h GLU 357 N 0.84 0.07 -0.01 0.20 5.08 -1.61 -2.82 114.58 116.34 1smy h GLU 357 Ca 0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1smy h GLU 357 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1smy h GLU 357 CO -0.21 0.36 -0.11 -2.13 -1.00 0.00 0.00 179.01 175.92 1smy n ARG 358 N -4.17 0.94 0.04 2.33 3.00 0.45 -3.03 116.66 116.21 1smy n ARG 358 Ca -0.02 -0.40 0.14 0.00 -0.00 0.00 0.00 57.85 57.57 1smy n ARG 358 Cb 0.36 -1.49 0.54 0.00 0.00 0.00 0.00 32.46 31.86 1smy n ARG 358 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1smy n MET 359 N -0.68 0.10 -0.06 -0.14 1.56 -0.95 -2.22 117.12 114.73 1smy n MET 359 Ca 0.16 0.08 -0.06 0.00 -0.27 0.00 0.00 57.70 57.61 1smy n MET 359 Cb 0.29 -1.61 -0.09 0.00 2.15 0.00 0.00 33.22 33.96 1smy n MET 359 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1smy n LEU 360 N -1.78 0.00 0.05 -0.89 4.77 -1.22 -4.63 117.00 113.31 1smy n LEU 360 Ca 0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 1smy n LEU 360 Cb 0.37 0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 1smy n LEU 360 CO 0.28 0.28 0.20 0.24 -1.33 0.00 0.00 177.39 177.06 1smy h MET 361 N 0.00 0.48 -6.38 3.23 2.86 -1.55 -3.44 114.93 110.12 1smy h MET 361 Ca -0.31 -0.48 -0.53 0.00 -2.06 0.00 0.00 59.70 56.32 1smy h MET 361 Cb 1.69 0.13 0.02 0.00 0.06 0.00 0.00 31.60 33.50 1smy h MET 361 CO 0.02 1.12 1.13 0.20 1.06 0.00 0.00 176.91 180.44 1smy s GLY 362 N -4.36 1.47 0.00 8.32 0.00 -0.94 -4.95 107.32 106.86 1smy s GLY 362 Ca -0.07 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.89 1smy s GLY 362 CO 0.87 3.20 0.18 1.44 0.00 0.00 0.00 173.10 178.79 1smy n SER 363 N 6.72 0.00 0.09 1.64 7.64 -1.26 -4.85 113.62 123.60 1smy n SER 363 Ca 0.18 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1smy n SER 363 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1smy n SER 363 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1smy n GLU 364 N -0.36 0.00 0.00 1.43 1.02 -1.26 -5.04 120.64 116.42 1smy n GLU 364 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1smy n GLU 364 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 1smy n GLU 364 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1smy n ASP 365 N -3.37 2.89 -3.66 1.62 -0.08 -1.26 -4.89 116.55 107.80 1smy n ASP 365 Ca 0.00 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.85 1smy n ASP 365 Cb 0.00 0.35 -0.03 0.00 2.34 0.00 0.00 41.12 43.78 1smy n ASP 365 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1smy n SER 366 N -1.26 3.19 -1.02 1.67 7.64 -1.26 -4.48 113.62 118.10 1smy n SER 366 Ca 0.00 -2.75 0.04 0.00 1.01 0.00 0.00 58.87 57.17 1smy n SER 366 Cb 0.23 -1.36 0.06 0.00 -1.01 0.00 0.00 64.21 62.12 1smy n SER 366 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1smy n LEU 367 N 6.79 1.22 -0.08 -3.43 -0.00 -1.26 -4.79 117.00 115.45 1smy n LEU 367 Ca 0.51 -2.24 -0.13 0.00 -0.00 0.00 0.00 56.01 54.15 1smy n LEU 367 Cb 0.39 -0.13 -0.09 0.00 -0.00 0.00 0.00 43.42 43.59 1smy n LEU 367 CO 0.97 0.64 -0.09 0.74 -0.00 0.00 0.00 177.39 179.65 1smy h THR 368 N 5.34 0.94 0.00 1.47 2.02 -1.92 -3.39 112.91 117.38 1smy h THR 368 Ca -0.12 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.19 1smy h THR 368 Cb 1.56 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 1smy h THR 368 CO 0.05 0.32 0.00 -2.65 0.37 0.00 0.00 175.52 173.61 1smy n PRO 369 N -4.58 0.00 0.26 6.66 -0.02 -1.26 -4.51 135.00 131.56 1smy n PRO 369 Ca -0.16 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.41 1smy n PRO 369 Cb 0.44 -0.02 0.67 0.00 -0.02 0.00 0.00 33.50 34.58 1smy n PRO 369 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smy h ALA 370 N -2.00 1.89 0.00 3.55 0.00 -1.89 -2.55 119.26 118.25 1smy h ALA 370 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1smy h ALA 370 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1smy h ALA 370 CO 0.00 0.02 0.00 1.17 0.00 0.00 0.00 179.25 180.44 1smy n LYS 371 N -4.40 0.83 0.00 0.00 3.00 -1.26 -3.65 118.16 112.68 1smy n LYS 371 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1smy n LYS 371 Cb 0.11 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 33.93 1smy n LYS 371 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1smy n LEU 372 N -0.71 0.00 -3.69 3.14 4.32 -1.03 -4.62 117.00 114.40 1smy n LEU 372 Ca 0.08 -0.20 -0.19 0.00 -0.02 0.00 0.00 56.01 55.69 1smy n LEU 372 Cb 0.04 0.00 -0.18 0.00 -1.62 0.00 0.00 43.42 41.66 1smy n LEU 372 CO 0.06 0.25 -0.34 -0.69 -1.22 0.00 0.00 177.39 175.45 1smy s VAL 373 N 0.00 -0.10 -0.22 4.08 1.01 -0.99 -4.70 120.40 119.47 1smy s VAL 373 Ca 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 1smy s VAL 373 Cb 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 36.38 36.30 1smy s VAL 373 CO 0.00 0.16 -0.02 0.20 0.00 0.00 0.00 175.10 175.44 1smy s ASN 374 N 1.97 3.58 0.00 3.32 0.01 -1.26 -4.66 114.94 117.90 1smy s ASN 374 Ca 0.02 -1.09 0.11 0.00 -0.71 0.00 0.00 52.86 51.20 1smy s ASN 374 Cb -0.12 -1.00 0.51 0.00 0.41 0.00 0.00 41.25 41.04 1smy s ASN 374 CO -0.03 -0.26 1.31 -1.20 -1.51 0.00 0.00 177.10 175.41 1smy n SER 375 N 4.78 0.00 -0.17 -1.22 7.64 -1.26 -3.74 113.62 119.66 1smy n SER 375 Ca -0.11 0.33 -0.01 0.00 1.01 0.00 0.00 58.87 60.09 1smy n SER 375 Cb 0.45 -0.40 0.08 0.00 -1.01 0.00 0.00 64.21 63.32 1smy n SER 375 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1smy h ARG 376 N 0.00 0.24 0.30 1.43 9.65 -2.00 -2.75 114.38 121.25 1smy h ARG 376 Ca 0.00 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1smy h ARG 376 Cb 0.15 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 1smy h ARG 376 CO 0.00 0.16 -0.14 -1.35 2.80 0.00 0.00 179.97 181.44 1smy h PRO 377 N 0.25 -0.39 -1.30 0.20 0.11 -1.94 -2.84 132.00 126.09 1smy h PRO 377 Ca 0.27 0.03 0.38 0.00 0.11 0.00 0.00 66.00 66.79 1smy h PRO 377 Cb 0.38 0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.52 1smy h PRO 377 CO -0.35 -0.26 1.00 1.25 -0.21 0.00 0.00 178.00 179.43 1smy h LEU 378 N -0.46 0.00 0.28 2.35 5.85 -1.81 -1.75 115.31 119.78 1smy h LEU 378 Ca -0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1smy h LEU 378 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1smy h LEU 378 CO 0.07 0.00 -0.14 -0.08 -0.34 0.00 0.00 178.44 177.95 1smy h GLU 379 N 0.00 -0.37 -0.69 1.25 4.57 -1.46 -2.96 114.58 114.92 1smy h GLU 379 Ca 0.62 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.96 1smy h GLU 379 Cb 2.62 0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 31.19 1smy h GLU 379 CO -0.01 -0.25 0.18 0.00 -1.18 0.00 0.00 179.01 177.76 1smy h ALA 380 N -1.40 0.88 -2.45 2.92 0.00 -1.11 -0.74 119.26 117.37 1smy h ALA 380 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1smy h ALA 380 Cb 0.29 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1smy h ALA 380 CO 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1smy n ALA 381 N -2.62 -0.07 -0.25 0.00 0.00 -0.73 -0.88 120.51 115.95 1smy n ALA 381 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.59 1smy n ALA 381 Cb 0.41 0.06 0.11 0.00 0.00 0.00 0.00 19.45 20.02 1smy n ALA 381 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1smy h ILE 382 N 0.00 0.31 -0.26 0.00 2.04 -1.51 -0.29 117.51 117.80 1smy h ILE 382 Ca 0.00 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1smy h ILE 382 Cb 0.00 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.29 1smy h ILE 382 CO 0.00 0.01 -0.16 -0.09 0.00 0.00 0.00 178.15 177.91 1smy h ARG 383 N 0.04 -0.13 -0.29 2.37 2.43 -1.17 -0.29 114.38 117.34 1smy h ARG 383 Ca 0.37 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.55 1smy h ARG 383 Cb 0.60 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1smy h ARG 383 CO -0.70 -0.09 0.19 0.93 -1.51 0.00 0.00 179.97 178.79 1smy h GLU 384 N -0.13 0.36 -0.05 0.20 3.07 0.65 -0.12 114.58 118.56 1smy h GLU 384 Ca 0.14 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 1smy h GLU 384 Cb 0.35 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1smy h GLU 384 CO -0.35 0.24 -0.48 0.35 -1.40 0.00 0.00 179.01 177.38 1smy h PHE 385 N 0.37 0.14 0.00 4.33 3.57 0.12 0.65 116.94 126.12 1smy h PHE 385 Ca 0.11 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1smy h PHE 385 Cb -0.01 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1smy h PHE 385 CO -0.00 0.57 -1.08 1.19 -2.23 0.00 0.00 178.31 176.76 1smy n PHE 386 N -3.97 0.33 -0.07 0.41 3.01 -0.61 -3.37 117.46 113.19 1smy n PHE 386 Ca -0.02 0.10 -0.07 0.00 1.01 0.00 0.00 57.45 58.47 1smy n PHE 386 Cb 0.51 -0.50 -0.10 0.00 -0.01 0.00 0.00 39.48 39.38 1smy n PHE 386 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1smy n SER 387 N -2.06 2.02 -0.00 4.37 3.41 -0.16 -4.79 113.62 116.41 1smy n SER 387 Ca 0.01 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1smy n SER 387 Cb 0.46 0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 65.02 1smy n SER 387 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1smy n ARG 388 N -2.57 2.13 -1.67 4.33 3.00 0.22 -5.03 116.66 117.07 1smy n ARG 388 Ca -0.22 -0.01 -0.48 0.00 -0.01 0.00 0.00 57.85 57.13 1smy n ARG 388 Cb 0.89 -0.87 -0.05 0.00 0.00 0.00 0.00 32.46 32.44 1smy n ARG 388 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1smy n SER 389 N -1.37 3.14 0.05 0.55 2.88 -0.38 -4.80 113.62 113.69 1smy n SER 389 Ca -0.00 1.03 0.21 0.00 -1.33 0.00 0.00 58.87 58.78 1smy n SER 389 Cb 0.02 -1.37 0.74 0.00 -0.75 0.00 0.00 64.21 62.85 1smy n SER 389 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1smy h GLN 390 N 7.56 0.00 0.00 -1.46 4.15 -1.92 0.15 115.11 123.59 1smy h GLN 390 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1smy h GLN 390 Cb 1.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1smy h GLN 390 CO 0.92 0.00 0.00 -0.11 -1.93 0.00 0.00 178.83 177.71 1smy n LEU 391 N -3.92 0.00 -4.33 -2.39 7.94 -1.26 -4.75 117.00 108.30 1smy n LEU 391 Ca 0.09 0.49 -0.28 0.00 -1.11 0.00 0.00 56.01 55.20 1smy n LEU 391 Cb 0.64 -0.49 -0.14 0.00 0.53 0.00 0.00 43.42 43.96 1smy n LEU 391 CO 0.31 -0.20 -0.55 -0.94 -1.11 0.00 0.00 177.39 174.89 1smy s SER 392 N -2.98 2.99 0.04 1.96 1.04 0.52 -3.75 113.70 113.52 1smy s SER 392 Ca 0.09 -0.62 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 1smy s SER 392 Cb 0.11 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1smy s SER 392 CO 0.31 0.20 0.07 0.00 0.98 0.00 0.00 173.24 174.79 1smy n GLN 393 N 1.53 0.10 -1.72 4.02 0.00 -1.26 -4.81 117.38 115.23 1smy n GLN 393 Ca -0.17 -0.22 -0.42 0.00 0.00 0.00 0.00 57.00 56.18 1smy n GLN 393 Cb 0.53 0.26 -0.02 0.00 0.00 0.00 0.00 30.24 31.00 1smy n GLN 393 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1smy n PHE 394 N -0.05 2.74 -2.07 2.61 0.99 -1.26 -3.52 117.46 116.89 1smy n PHE 394 Ca -0.01 0.16 -0.43 0.00 -0.00 0.00 0.00 57.45 57.18 1smy n PHE 394 Cb 0.06 -2.62 -0.03 0.00 -1.00 0.00 0.00 39.48 35.89 1smy n PHE 394 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1smy s LYS 395 N 0.37 3.76 -0.96 -1.08 2.20 -0.34 -4.81 119.74 118.87 1smy s LYS 395 Ca 0.70 1.71 -0.24 0.00 -0.36 0.00 0.00 55.97 57.78 1smy s LYS 395 Cb -0.52 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 31.70 1smy s LYS 395 CO 0.40 -1.34 1.88 0.34 -0.36 0.00 0.00 175.35 176.27 1smy s ASP 396 N 4.51 5.34 -0.47 1.43 3.68 -1.26 -4.72 116.67 125.17 1smy s ASP 396 Ca 0.74 -0.94 0.03 0.00 2.13 0.00 0.00 52.55 54.51 1smy s ASP 396 Cb -0.26 -2.57 0.44 0.00 -1.45 0.00 0.00 42.92 39.09 1smy s ASP 396 CO 0.30 -2.60 1.50 -0.62 0.13 0.00 0.00 175.17 173.88 1smy n GLU 397 N 8.78 3.25 0.24 4.34 1.02 -1.26 -0.13 120.64 136.87 1smy n GLU 397 Ca 0.40 -3.91 0.17 0.00 -0.02 0.00 0.00 57.16 53.80 1smy n GLU 397 Cb 0.47 -2.28 0.78 0.00 -0.02 0.00 0.00 31.44 30.40 1smy n GLU 397 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1smy h THR 398 N 1.89 0.15 -1.61 2.62 2.02 -1.85 -3.43 112.91 112.71 1smy h THR 398 Ca 0.45 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.89 1smy h THR 398 Cb 1.10 0.65 -0.15 0.00 -1.74 0.00 0.00 68.15 68.01 1smy h THR 398 CO 1.08 0.00 0.76 0.54 0.37 0.00 0.00 175.52 178.27 1smy s ASN 399 N -4.77 -0.13 0.28 4.18 2.20 -1.26 -4.45 114.94 110.98 1smy s ASN 399 Ca -0.04 -0.08 -0.03 0.00 -0.94 0.00 0.00 52.86 51.77 1smy s ASN 399 Cb 0.11 0.20 0.58 0.00 -2.00 0.00 0.00 41.25 40.14 1smy s ASN 399 CO 0.38 -0.35 1.61 -0.65 -2.94 0.00 0.00 177.10 175.15 1smy h PRO 400 N 2.00 0.07 0.71 3.55 0.11 -1.93 -1.13 132.00 135.37 1smy h PRO 400 Ca -0.19 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 1smy h PRO 400 Cb 1.19 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1smy h PRO 400 CO 0.26 0.05 -0.40 1.25 -0.21 0.00 0.00 178.00 178.95 1smy h LEU 401 N 0.07 -0.98 -0.90 2.35 5.85 -1.94 0.15 115.31 119.91 1smy h LEU 401 Ca 0.50 0.05 0.24 0.00 0.84 0.00 0.00 57.88 59.51 1smy h LEU 401 Cb 0.95 0.28 -0.16 0.00 0.37 0.00 0.00 40.66 42.10 1smy h LEU 401 CO -0.79 -0.64 0.13 0.28 -0.34 0.00 0.00 178.44 177.08 1smy h SER 402 N -1.03 -0.24 0.79 1.25 0.02 -1.56 0.72 113.55 113.51 1smy h SER 402 Ca -0.09 0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1smy h SER 402 Cb 0.82 0.37 0.01 0.00 0.14 0.00 0.00 62.40 63.73 1smy h SER 402 CO 0.12 -0.25 -0.38 0.77 -1.14 0.00 0.00 176.83 175.95 1smy h SER 403 N 0.10 -0.90 -0.76 3.07 4.64 0.66 -1.15 113.55 119.21 1smy h SER 403 Ca 0.56 0.02 0.12 0.00 -0.47 0.00 0.00 61.79 62.02 1smy h SER 403 Cb 1.13 0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 63.37 1smy h SER 403 CO -0.76 -0.60 0.36 0.25 -0.87 0.00 0.00 176.83 175.21 1smy h LEU 404 N -1.15 0.43 -0.32 5.97 5.85 0.26 -0.80 115.31 125.55 1smy h LEU 404 Ca -0.11 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1smy h LEU 404 Cb 0.83 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1smy h LEU 404 CO 0.18 0.21 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.25 1smy h ARG 405 N 0.56 0.66 -0.26 1.25 2.43 0.24 -2.78 114.38 116.48 1smy h ARG 405 Ca 0.40 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1smy h ARG 405 Cb 0.52 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1smy h ARG 405 CO -0.33 0.87 0.12 1.25 -1.51 0.00 0.00 179.97 180.37 1smy h HIS 406 N 0.43 0.35 -0.50 2.20 2.76 -0.59 -1.42 115.15 118.38 1smy h HIS 406 Ca 0.07 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 1smy h HIS 406 Cb 0.67 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 1smy h HIS 406 CO 0.06 0.27 0.13 0.87 -1.30 0.00 0.00 177.93 177.96 1smy h LYS 407 N 0.37 0.75 -2.37 5.26 6.56 -0.90 -3.22 116.57 123.01 1smy h LYS 407 Ca 0.09 -0.14 -0.69 0.00 -1.06 0.00 0.00 60.65 58.85 1smy h LYS 407 Cb 0.06 -0.12 -0.35 0.00 -0.57 0.00 0.00 32.23 31.25 1smy h LYS 407 CO -0.01 0.67 0.10 2.89 -2.06 0.00 0.00 179.45 181.04 1smy n ARG 408 N -4.30 3.95 -4.65 3.15 1.85 -0.54 -4.84 116.66 111.28 1smy n ARG 408 Ca 0.04 -4.72 -0.24 0.00 -1.00 0.00 0.00 57.85 51.92 1smy n ARG 408 Cb 0.21 -2.36 -0.14 0.00 -1.05 0.00 0.00 32.46 29.12 1smy n ARG 408 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1smy s ARG 409 N -3.39 1.32 0.07 2.89 3.52 -1.20 -3.67 118.95 118.49 1smy s ARG 409 Ca 0.41 -0.82 0.06 0.00 -0.13 0.00 0.00 55.73 55.25 1smy s ARG 409 Cb 0.19 -1.37 -0.04 0.00 -1.56 0.00 0.00 34.95 32.17 1smy s ARG 409 CO -0.06 0.35 -0.10 0.42 -0.81 0.00 0.00 175.30 175.10 1smy s ILE 410 N -0.70 3.37 0.03 4.11 1.01 0.16 -2.84 121.20 126.33 1smy s ILE 410 Ca 0.06 -1.15 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 1smy s ILE 410 Cb -0.08 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 1smy s ILE 410 CO 0.01 0.20 0.05 -0.55 0.00 0.00 0.00 174.94 174.65 1smy s SER 411 N -1.94 0.22 -0.22 3.58 0.15 -0.79 0.36 113.70 115.06 1smy s SER 411 Ca 0.20 -0.55 -0.18 0.00 0.70 0.00 0.00 55.95 56.12 1smy s SER 411 Cb -0.11 0.19 -0.18 0.00 -1.71 0.00 0.00 66.02 64.21 1smy s SER 411 CO 0.11 -0.45 0.06 0.00 1.20 0.00 0.00 173.24 174.16 1smy n ALA 412 N 0.99 0.92 -1.58 5.45 0.00 -0.08 -3.37 120.51 122.84 1smy n ALA 412 Ca -0.20 -0.68 -0.57 0.00 0.00 0.00 0.00 53.44 51.99 1smy n ALA 412 Cb 0.57 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 1smy n ALA 412 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1smy n LEU 413 N -4.26 1.03 0.00 0.00 4.32 -1.26 -4.64 117.00 112.18 1smy n LEU 413 Ca -0.39 1.14 0.00 0.00 -0.02 0.00 0.00 56.01 56.74 1smy n LEU 413 Cb 0.78 -1.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1smy n LEU 413 CO 0.17 -1.31 0.00 0.61 -1.22 0.00 0.00 177.39 175.64 1smy n GLY 414 N 2.39 1.56 0.00 -0.72 0.00 -1.26 -4.87 105.19 102.30 1smy n GLY 414 Ca 0.21 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1smy n GLY 414 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1smy n PRO 415 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -4.91 135.00 130.41 1smy n PRO 415 Ca 0.00 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1smy n PRO 415 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1smy n PRO 415 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 416 N -0.94 0.52 0.29 -1.23 0.00 -1.26 -4.91 105.19 97.65 1smy n GLY 416 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1smy n GLY 416 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smy n GLY 417 N 0.00 -0.49 2.76 -0.02 0.00 -1.26 -4.69 105.19 101.48 1smy n GLY 417 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1smy n GLY 417 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smy s LEU 418 N -2.32 0.78 0.00 0.99 2.01 -1.26 -5.01 118.68 113.87 1smy s LEU 418 Ca 0.30 -0.32 0.00 0.00 0.01 0.00 0.00 54.13 54.13 1smy s LEU 418 Cb 0.20 -0.50 0.00 0.00 0.01 0.00 0.00 46.19 45.90 1smy s LEU 418 CO 0.45 -0.23 0.00 1.07 1.01 0.00 0.00 176.35 178.65 1smy n THR 419 N 5.11 0.00 -2.10 5.49 5.66 -1.26 -4.27 114.28 122.91 1smy n THR 419 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1smy n THR 419 Cb 0.49 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1smy n THR 419 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1smy n ARG 420 N 0.29 3.86 0.00 1.09 0.00 -1.26 -3.98 116.66 116.65 1smy n ARG 420 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1smy n ARG 420 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 32.46 32.51 1smy n ARG 420 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1smy n GLU 421 N 0.00 1.03 0.08 2.89 -0.58 -1.26 -4.41 120.64 118.39 1smy n GLU 421 Ca 0.00 -0.82 -0.08 0.00 -0.42 0.00 0.00 57.16 55.84 1smy n GLU 421 Cb 0.00 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.31 1smy n GLU 421 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1smy h ARG 422 N 2.01 0.06 -6.77 3.49 3.08 -2.05 -3.46 114.38 110.74 1smy h ARG 422 Ca 0.00 -0.09 -0.49 0.00 0.07 0.00 0.00 59.98 59.46 1smy h ARG 422 Cb 0.69 0.03 0.04 0.00 0.08 0.00 0.00 29.97 30.82 1smy h ARG 422 CO 0.00 0.98 -0.04 0.00 -1.07 0.00 0.00 179.97 179.85 1smy s ALA 423 N -2.86 4.53 0.00 0.04 0.00 -1.26 -4.93 121.76 117.28 1smy s ALA 423 Ca -0.00 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 49.82 1smy s ALA 423 Cb 0.10 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1smy s ALA 423 CO 0.82 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1smy n GLY 424 N -2.42 4.17 0.51 0.00 0.00 -1.26 -4.97 105.19 101.22 1smy n GLY 424 Ca 0.17 -0.65 0.33 0.00 0.00 0.00 0.00 46.02 45.87 1smy n GLY 424 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1smy h PHE 425 N 0.00 0.04 0.00 1.61 3.57 -1.97 1.36 116.94 121.55 1smy h PHE 425 Ca 0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1smy h PHE 425 Cb 0.00 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1smy h PHE 425 CO 0.00 0.00 -1.76 -0.40 -2.23 0.00 0.00 178.31 173.93 1smy n ASP 426 N -4.23 0.51 -0.04 0.41 5.75 -1.26 -4.18 116.55 113.51 1smy n ASP 426 Ca 0.24 0.23 -0.16 0.00 -0.01 0.00 0.00 54.79 55.09 1smy n ASP 426 Cb 1.16 0.66 -0.13 0.00 -1.03 0.00 0.00 41.12 41.78 1smy n ASP 426 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1smy h VAL 427 N 0.00 1.71 0.00 2.12 2.07 -0.82 -3.30 116.25 118.02 1smy h VAL 427 Ca -0.24 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1smy h VAL 427 Cb 1.66 3.33 0.00 0.00 -1.52 0.00 0.00 31.29 34.76 1smy h VAL 427 CO 0.04 0.64 0.00 0.54 0.02 0.00 0.00 177.57 178.80 1smy n ARG 428 N -4.47 0.03 -2.83 1.57 1.74 0.43 -4.64 116.66 108.48 1smy n ARG 428 Ca -0.11 0.51 -0.37 0.00 -0.77 0.00 0.00 57.85 57.11 1smy n ARG 428 Cb 0.58 -1.59 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 1smy n ARG 428 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1smy s ASP 429 N -3.21 7.28 -0.93 0.55 1.01 -1.25 -4.18 116.67 115.95 1smy s ASP 429 Ca 0.00 1.77 -0.24 0.00 0.71 0.00 0.00 52.55 54.79 1smy s ASP 429 Cb 0.02 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1smy s ASP 429 CO 0.06 -0.06 1.76 0.54 0.21 0.00 0.00 175.17 177.68 1smy s VAL 430 N -1.62 3.61 0.94 -1.27 0.11 -1.26 -4.94 120.40 115.96 1smy s VAL 430 Ca 0.50 -0.47 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 1smy s VAL 430 Cb -0.18 -4.39 0.12 0.00 -1.53 0.00 0.00 36.38 30.40 1smy s VAL 430 CO 0.23 -1.31 0.93 1.57 -3.33 0.00 0.00 175.10 173.19 1smy n HIS 431 N 12.07 0.14 -0.04 1.54 -0.00 -1.26 -4.89 115.22 122.78 1smy n HIS 431 Ca 0.36 0.34 -0.10 0.00 0.46 0.00 0.00 57.72 58.78 1smy n HIS 431 Cb 0.49 -1.93 -0.03 0.00 -0.12 0.00 0.00 29.99 28.39 1smy n HIS 431 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1smy h ARG 432 N -1.83 0.21 0.00 1.57 -0.00 -1.94 -2.33 114.38 110.06 1smy h ARG 432 Ca -0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.53 1smy h ARG 432 Cb 1.28 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1smy h ARG 432 CO 0.39 0.14 0.08 1.79 -0.00 0.00 0.00 179.97 182.37 1smy h THR 433 N 0.22 0.00 0.00 0.08 1.35 -1.91 -3.28 112.91 109.38 1smy h THR 433 Ca 0.07 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.83 1smy h THR 433 Cb -0.00 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.07 1smy h THR 433 CO -0.04 0.00 0.62 1.41 -0.25 0.00 0.00 175.52 177.27 1smy n HIS 434 N -2.61 0.20 -4.89 4.73 8.25 -0.88 -4.68 115.22 115.34 1smy n HIS 434 Ca -0.02 -0.72 -0.31 0.00 -0.26 0.00 0.00 57.72 56.41 1smy n HIS 434 Cb 0.12 -0.91 -0.17 0.00 1.12 0.00 0.00 29.99 30.15 1smy n HIS 434 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1smy s TYR 435 N 2.73 2.45 -1.55 4.41 5.04 -1.24 -4.27 117.35 124.92 1smy s TYR 435 Ca 0.23 -1.10 0.00 0.00 -2.44 0.00 0.00 57.07 53.76 1smy s TYR 435 Cb 0.10 -1.67 0.00 0.00 0.35 0.00 0.00 41.96 40.74 1smy s TYR 435 CO -0.00 -0.49 0.00 0.41 -1.34 0.00 0.00 175.55 174.13 1smy n GLY 436 N 3.82 1.39 0.00 8.97 0.00 -1.20 -4.62 105.19 113.55 1smy n GLY 436 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1smy n GLY 436 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smy n ARG 437 N -1.45 1.21 -3.69 1.61 1.74 -1.26 -4.07 116.66 110.75 1smy n ARG 437 Ca -0.15 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.83 1smy n ARG 437 Cb 0.60 -0.69 -0.11 0.00 -1.02 0.00 0.00 32.46 31.23 1smy n ARG 437 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1smy s ILE 438 N -1.39 -0.19 0.24 0.55 1.01 -1.26 -3.48 121.20 116.68 1smy s ILE 438 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.48 1smy s ILE 438 Cb 0.00 -0.55 -0.12 0.00 0.01 0.00 0.00 42.46 41.80 1smy s ILE 438 CO 0.00 0.06 1.66 0.00 0.00 0.00 0.00 174.94 176.66 1smy h PRO 440 N 5.97 0.00 0.00 0.00 0.11 -1.85 -3.34 132.00 132.89 1smy h PRO 440 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 1smy h PRO 440 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1smy h PRO 440 CO 0.89 0.00 -1.61 0.28 -0.21 0.00 0.00 178.00 177.35 1smy n VAL 441 N -2.83 0.42 0.28 3.15 0.31 -1.26 -4.69 118.33 113.71 1smy n VAL 441 Ca 0.02 -0.36 0.14 0.00 -0.01 0.00 0.00 64.34 64.13 1smy n VAL 441 Cb 0.35 -0.36 0.72 0.00 -0.91 0.00 0.00 33.84 33.65 1smy n VAL 441 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1smy h GLU 442 N 0.00 0.00 -7.14 5.55 4.57 -1.89 -3.44 114.58 112.22 1smy h GLU 442 Ca -0.17 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.47 1smy h GLU 442 Cb 1.19 0.00 0.18 0.00 -0.16 0.00 0.00 28.75 29.95 1smy h GLU 442 CO 0.01 0.00 0.36 -2.37 -1.18 0.00 0.00 179.01 175.83 1smy n THR 443 N -2.64 3.07 -0.15 0.32 5.66 -1.26 -4.63 114.28 114.65 1smy n THR 443 Ca -0.02 -0.32 -0.17 0.00 -3.05 0.00 0.00 64.05 60.50 1smy n THR 443 Cb 0.30 -1.28 0.16 0.00 -1.55 0.00 0.00 70.33 67.96 1smy n THR 443 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1smy n PRO 444 N -2.67 -3.55 -3.91 1.09 -0.02 -1.25 -4.97 135.00 119.72 1smy n PRO 444 Ca 0.14 -0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 60.52 1smy n PRO 444 Cb 0.50 -1.03 -0.15 0.00 -0.02 0.00 0.00 33.50 32.80 1smy n PRO 444 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1smy s GLU 445 N -4.14 1.42 0.00 -0.52 2.56 -1.26 -4.75 118.70 112.01 1smy s GLU 445 Ca 0.37 -1.91 0.00 0.00 0.00 0.00 0.00 54.97 53.42 1smy s GLU 445 Cb -0.06 -2.88 0.00 0.00 2.00 0.00 0.00 34.13 33.18 1smy s GLU 445 CO 0.31 -1.02 0.00 0.41 -0.56 0.00 0.00 175.26 174.40 1smy n GLY 446 N 4.01 0.40 0.42 -1.50 0.00 -1.26 -4.90 105.19 102.36 1smy n GLY 446 Ca 0.04 -1.41 0.32 0.00 0.00 0.00 0.00 46.02 44.97 1smy n GLY 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy h ALA 447 N 0.00 2.46 -2.36 4.61 0.00 -2.06 -3.22 119.26 118.69 1smy h ALA 447 Ca 0.00 0.14 -0.77 0.00 0.00 0.00 0.00 54.91 54.29 1smy h ALA 447 Cb 0.00 0.19 -0.25 0.00 0.00 0.00 0.00 17.79 17.74 1smy h ALA 447 CO 0.00 -1.09 -0.08 0.54 0.00 0.00 0.00 179.25 178.62 1smy s ASN 448 N -4.65 6.41 -0.03 0.00 2.20 -1.26 -5.02 114.94 112.59 1smy s ASN 448 Ca -0.08 -2.12 0.03 0.00 -0.94 0.00 0.00 52.86 49.74 1smy s ASN 448 Cb 0.30 -2.21 0.01 0.00 -2.00 0.00 0.00 41.25 37.34 1smy s ASN 448 CO 0.81 -0.76 -0.10 -0.63 -2.94 0.00 0.00 177.10 173.48 1smy s ILE 449 N 1.10 0.86 0.00 0.54 1.01 -1.22 -3.94 121.20 119.55 1smy s ILE 449 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1smy s ILE 449 Cb -0.22 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.48 1smy s ILE 449 CO -0.02 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1smy n GLY 450 N 3.39 1.51 0.27 6.18 0.00 -1.26 -4.58 105.19 110.70 1smy n GLY 450 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1smy n GLY 450 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1smy h LEU 451 N 0.00 0.88 -8.07 0.99 3.38 -1.87 -3.40 115.31 107.21 1smy h LEU 451 Ca 0.00 -0.21 -0.67 0.00 0.09 0.00 0.00 57.88 57.08 1smy h LEU 451 Cb 0.00 -0.23 -0.33 0.00 0.09 0.00 0.00 40.66 40.19 1smy h LEU 451 CO 0.00 0.86 -0.77 0.27 0.09 0.00 0.00 178.44 178.89 1smy s ILE 452 N -5.39 2.61 -0.01 1.22 -4.36 -1.26 -0.90 121.20 113.12 1smy s ILE 452 Ca -0.13 -1.17 -0.01 0.00 -0.26 0.00 0.00 60.65 59.08 1smy s ILE 452 Cb 0.13 -2.35 -0.00 0.00 1.25 0.00 0.00 42.46 41.49 1smy s ILE 452 CO 0.81 0.18 0.03 0.42 0.24 0.00 0.00 174.94 176.62 1smy s THR 453 N 1.27 0.02 -0.15 8.37 -4.23 0.16 -4.03 115.64 117.04 1smy s THR 453 Ca -0.01 -0.17 -0.15 0.00 -1.18 0.00 0.00 61.69 60.17 1smy s THR 453 Cb -0.17 -0.11 -0.04 0.00 1.34 0.00 0.00 72.50 73.52 1smy s THR 453 CO -0.06 -0.09 0.35 -0.44 -0.54 0.00 0.00 174.62 173.84 1smy s SER 454 N -0.27 6.51 0.91 3.99 0.01 -1.26 0.37 113.70 123.96 1smy s SER 454 Ca -0.03 0.60 -0.11 0.00 1.31 0.00 0.00 55.95 57.72 1smy s SER 454 Cb -0.02 -2.22 0.14 0.00 0.21 0.00 0.00 66.02 64.13 1smy s SER 454 CO -0.00 0.07 1.10 -1.48 0.41 0.00 0.00 173.24 173.34 1smy s LEU 455 N 0.53 2.49 0.82 2.44 0.05 -1.24 -3.11 118.68 120.65 1smy s LEU 455 Ca 0.19 1.85 -0.11 0.00 0.05 0.00 0.00 54.13 56.12 1smy s LEU 455 Cb -0.14 -4.26 0.09 0.00 -2.05 0.00 0.00 46.19 39.83 1smy s LEU 455 CO 0.06 -2.88 1.12 0.00 -0.55 0.00 0.00 176.35 174.10 1smy s ALA 456 N -2.75 1.98 0.00 1.48 0.00 -1.23 -4.33 121.76 116.91 1smy s ALA 456 Ca 0.65 0.42 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1smy s ALA 456 Cb -0.21 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1smy s ALA 456 CO 0.58 -2.11 0.56 0.00 0.00 0.00 0.00 175.76 174.79 1smy n ALA 457 N -3.70 -0.01 0.22 0.00 0.00 0.94 -2.28 120.51 115.68 1smy n ALA 457 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1smy n ALA 457 Cb 0.52 0.25 0.63 0.00 0.00 0.00 0.00 19.45 20.85 1smy n ALA 457 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1smy h TYR 458 N 0.00 0.00 -1.67 0.00 -1.99 -1.84 -3.45 116.97 108.02 1smy h TYR 458 Ca 0.00 0.00 -0.68 0.00 2.00 0.00 0.00 58.73 60.05 1smy h TYR 458 Cb 0.00 0.00 0.07 0.00 2.00 0.00 0.00 36.73 38.80 1smy h TYR 458 CO -0.09 0.00 0.26 0.00 -0.00 0.00 0.00 178.16 178.33 1smy n ALA 459 N -1.81 -1.38 -3.71 3.88 0.00 -0.97 -4.77 120.51 111.76 1smy n ALA 459 Ca -0.01 0.50 -0.14 0.00 0.00 0.00 0.00 53.44 53.79 1smy n ALA 459 Cb 0.08 -1.98 -0.15 0.00 0.00 0.00 0.00 19.45 17.40 1smy n ALA 459 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1smy s ARG 460 N -0.07 0.08 -0.66 0.00 1.81 -1.00 -4.95 118.95 114.16 1smy s ARG 460 Ca 0.79 0.33 -0.25 0.00 -1.72 0.00 0.00 55.73 54.88 1smy s ARG 460 Cb -0.95 -0.18 0.04 0.00 -0.45 0.00 0.00 34.95 33.42 1smy s ARG 460 CO 0.51 -0.16 1.11 0.08 -0.68 0.00 0.00 175.30 176.17 1smy s VAL 461 N 1.10 4.06 0.00 3.52 1.01 -1.26 -2.16 120.40 126.67 1smy s VAL 461 Ca -0.09 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1smy s VAL 461 Cb -0.11 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.52 1smy s VAL 461 CO -0.05 -1.52 0.00 -0.90 0.00 0.00 0.00 175.10 172.62 1smy n ASP 462 N 8.40 0.00 -0.04 3.32 5.68 -1.26 -4.83 116.55 127.83 1smy n ASP 462 Ca 0.02 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.19 1smy n ASP 462 Cb 0.48 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.31 1smy n ASP 462 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1smy n GLU 463 N 0.00 0.67 -3.42 0.11 -0.58 -1.26 -4.84 120.64 111.32 1smy n GLU 463 Ca 0.00 0.22 -0.20 0.00 -0.42 0.00 0.00 57.16 56.76 1smy n GLU 463 Cb 0.00 -1.70 -0.10 0.00 -0.57 0.00 0.00 31.44 29.07 1smy n GLU 463 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1smy s LEU 464 N -6.20 -0.02 -0.31 -4.62 2.96 -1.26 -4.99 118.68 104.24 1smy s LEU 464 Ca -0.12 -1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 52.69 1smy s LEU 464 Cb 0.07 0.33 0.04 0.00 0.50 0.00 0.00 46.19 47.14 1smy s LEU 464 CO 0.80 -0.37 0.10 0.61 -1.32 0.00 0.00 176.35 176.16 1smy n GLY 465 N 5.05 -0.30 3.08 7.98 0.00 -1.25 -4.80 105.19 114.95 1smy n GLY 465 Ca 0.00 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1smy n GLY 465 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1smy s PHE 466 N -1.57 3.58 -0.13 1.61 0.08 -1.26 0.20 117.98 120.50 1smy s PHE 466 Ca 0.14 -2.63 -0.37 0.00 0.12 0.00 0.00 56.93 54.19 1smy s PHE 466 Cb -0.08 -3.14 -0.14 0.00 -0.57 0.00 0.00 43.02 39.10 1smy s PHE 466 CO 0.17 -0.94 1.76 -0.89 -0.10 0.00 0.00 175.22 175.22 1smy n ILE 467 N 4.27 0.37 -4.24 0.64 5.41 -1.26 -4.17 119.36 120.38 1smy n ILE 467 Ca 0.01 -0.07 -0.28 0.00 1.00 0.00 0.00 62.75 63.41 1smy n ILE 467 Cb 0.40 -1.50 -0.09 0.00 -0.71 0.00 0.00 39.64 37.74 1smy n ILE 467 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1smy s ARG 468 N 3.28 2.17 0.10 0.38 0.52 -0.92 -4.33 118.95 120.15 1smy s ARG 468 Ca 0.93 -1.10 0.08 0.00 -0.52 0.00 0.00 55.73 55.12 1smy s ARG 468 Cb -0.86 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 1smy s ARG 468 CO 0.56 0.48 -0.20 -0.08 0.02 0.00 0.00 175.30 176.08 1smy s THR 469 N -1.44 1.62 0.55 0.02 -1.32 -1.20 -2.37 115.64 111.50 1smy s THR 469 Ca 0.23 -1.50 -0.18 0.00 -1.21 0.00 0.00 61.69 59.03 1smy s THR 469 Cb -0.10 -1.48 -0.06 0.00 -1.51 0.00 0.00 72.50 69.35 1smy s THR 469 CO 0.15 -0.08 1.06 -2.84 -2.21 0.00 0.00 174.62 170.70 1smy s PRO 470 N -1.87 3.50 -0.26 7.08 0.02 -1.26 -2.62 135.00 139.60 1smy s PRO 470 Ca 0.05 1.32 -0.12 0.00 0.02 0.00 0.00 61.00 62.27 1smy s PRO 470 Cb -0.10 -2.05 0.09 0.00 0.02 0.00 0.00 34.50 32.46 1smy s PRO 470 CO 0.04 -0.68 0.60 0.71 -0.33 0.00 0.00 177.00 177.34 1smy s TYR 471 N -2.17 -1.04 0.21 6.54 1.51 -1.11 -4.39 117.35 116.89 1smy s TYR 471 Ca 0.66 1.99 -0.17 0.00 -1.01 0.00 0.00 57.07 58.54 1smy s TYR 471 Cb -0.17 0.59 -0.08 0.00 -0.11 0.00 0.00 41.96 42.19 1smy s TYR 471 CO 0.29 -0.54 0.67 -0.98 -1.11 0.00 0.00 175.55 173.88 1smy s ARG 472 N 2.08 4.13 -0.08 -0.62 1.70 0.69 -0.95 118.95 125.91 1smy s ARG 472 Ca -0.08 0.72 -0.30 0.00 -0.47 0.00 0.00 55.73 55.60 1smy s ARG 472 Cb -0.08 -2.83 -0.02 0.00 -0.57 0.00 0.00 34.95 31.45 1smy s ARG 472 CO -0.18 0.39 1.01 0.50 -1.08 0.00 0.00 175.30 175.94 1smy s ARG 473 N -2.13 4.45 -0.46 3.89 6.06 -1.07 -0.48 118.95 129.22 1smy s ARG 473 Ca 0.43 1.41 0.03 0.00 -2.50 0.00 0.00 55.73 55.10 1smy s ARG 473 Cb -0.15 -3.52 0.13 0.00 0.06 0.00 0.00 34.95 31.47 1smy s ARG 473 CO 0.20 -0.26 0.24 0.54 -2.50 0.00 0.00 175.30 173.52 1smy s VAL 474 N 1.78 1.76 -0.21 7.11 0.11 0.33 -0.03 120.40 131.24 1smy s VAL 474 Ca 0.50 -2.74 -0.29 0.00 -2.93 0.00 0.00 61.98 56.51 1smy s VAL 474 Cb -0.19 -2.23 -0.01 0.00 -1.53 0.00 0.00 36.38 32.42 1smy s VAL 474 CO 0.21 -0.85 1.32 -0.69 -3.33 0.00 0.00 175.10 171.75 1smy s VAL 475 N 0.21 4.15 0.00 2.04 1.01 0.44 -4.07 120.40 124.19 1smy s VAL 475 Ca 0.17 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1smy s VAL 475 Cb -0.25 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1smy s VAL 475 CO -0.00 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1smy n GLY 476 N 3.95 0.89 0.55 4.51 0.00 -1.26 -1.31 105.19 112.51 1smy n GLY 476 Ca 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1smy n GLY 476 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smy n GLY 477 N 0.00 0.97 3.31 -0.02 0.00 -1.25 -4.69 105.19 103.51 1smy n GLY 477 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1smy n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 478 N -0.87 2.95 -0.01 1.61 1.01 -0.43 -2.62 120.40 122.04 1smy s VAL 478 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 1smy s VAL 478 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1smy s VAL 478 CO 0.00 0.50 0.29 -0.69 0.00 0.00 0.00 175.10 175.20 1smy s VAL 479 N 0.81 5.26 0.15 2.92 1.01 0.35 -0.42 120.40 130.47 1smy s VAL 479 Ca -0.04 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.38 1smy s VAL 479 Cb -0.15 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1smy s VAL 479 CO 0.01 0.45 -0.11 -0.89 0.00 0.00 0.00 175.10 174.56 1smy s THR 480 N -1.21 3.18 -1.85 3.92 2.01 0.95 -4.57 115.64 118.07 1smy s THR 480 Ca 0.25 -1.53 0.01 0.00 0.31 0.00 0.00 61.69 60.73 1smy s THR 480 Cb -0.14 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 69.87 1smy s THR 480 CO 0.13 -0.02 0.96 0.47 -0.69 0.00 0.00 174.62 175.47 1smy n ASP 481 N 0.34 0.32 -4.86 3.53 9.92 -1.26 -4.39 116.55 120.15 1smy n ASP 481 Ca -0.12 -2.01 -0.34 0.00 -0.53 0.00 0.00 54.79 51.79 1smy n ASP 481 Cb 0.54 -0.09 -0.05 0.00 -0.64 0.00 0.00 41.12 40.88 1smy n ASP 481 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1smy s GLU 482 N -1.83 3.82 0.02 -1.24 -6.30 -1.26 -4.93 118.70 106.99 1smy s GLU 482 Ca 0.02 0.27 0.04 0.00 -2.50 0.00 0.00 54.97 52.80 1smy s GLU 482 Cb 0.01 -2.92 -0.02 0.00 0.00 0.00 0.00 34.13 31.20 1smy s GLU 482 CO 0.01 0.50 -0.13 0.08 0.02 0.00 0.00 175.26 175.74 1smy s VAL 483 N -1.49 1.01 -0.12 3.70 1.01 -1.26 -2.59 120.40 120.66 1smy s VAL 483 Ca 0.37 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1smy s VAL 483 Cb -0.14 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1smy s VAL 483 CO 0.19 0.06 -0.16 -0.69 0.00 0.00 0.00 175.10 174.50 1smy s VAL 484 N -0.70 1.60 -0.77 2.92 1.01 -0.12 -4.94 120.40 119.40 1smy s VAL 484 Ca 0.02 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1smy s VAL 484 Cb -0.07 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.90 1smy s VAL 484 CO 0.01 0.46 1.27 -0.31 0.00 0.00 0.00 175.10 176.52 1smy s TYR 485 N 0.97 2.36 0.33 5.22 1.51 -1.26 -2.77 117.35 123.72 1smy s TYR 485 Ca -0.06 -0.21 -0.23 0.00 -1.01 0.00 0.00 57.07 55.56 1smy s TYR 485 Cb -0.15 -4.60 -0.10 0.00 -0.11 0.00 0.00 41.96 37.00 1smy s TYR 485 CO -0.02 -2.01 0.89 1.41 -1.11 0.00 0.00 175.55 174.71 1smy s MET 486 N 5.44 4.39 0.69 -0.62 1.75 -1.08 -4.85 119.30 125.03 1smy s MET 486 Ca 0.35 1.14 -0.11 0.00 -1.25 0.00 0.00 55.69 55.82 1smy s MET 486 Cb -0.08 -2.63 0.01 0.00 2.84 0.00 0.00 34.83 34.97 1smy s MET 486 CO 0.11 0.21 1.07 0.99 -0.65 0.00 0.00 175.02 176.75 1smy s THR 487 N -1.77 3.95 0.33 10.11 2.01 -1.26 -3.23 115.64 125.78 1smy s THR 487 Ca 0.52 0.63 0.02 0.00 0.31 0.00 0.00 61.69 63.17 1smy s THR 487 Cb -0.15 -3.49 0.22 0.00 0.01 0.00 0.00 72.50 69.09 1smy s THR 487 CO 0.20 -0.83 1.95 0.00 -0.69 0.00 0.00 174.62 175.26 1smy h ALA 488 N -0.66 1.45 0.23 7.40 0.00 -1.90 -2.49 119.26 123.28 1smy h ALA 488 Ca -0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1smy h ALA 488 Cb 1.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1smy h ALA 488 CO 0.60 0.45 -0.11 1.15 0.00 0.00 0.00 179.25 181.34 1smy h THR 489 N 0.79 0.76 -0.15 0.00 2.02 -1.94 -3.22 112.91 111.17 1smy h THR 489 Ca 0.20 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.52 1smy h THR 489 Cb 0.05 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1smy h THR 489 CO -0.03 0.17 0.12 -0.08 0.37 0.00 0.00 175.52 176.07 1smy h GLU 490 N -0.83 0.00 -0.80 6.66 4.81 -1.93 -2.39 114.58 120.10 1smy h GLU 490 Ca -0.03 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1smy h GLU 490 Cb 0.51 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.80 1smy h GLU 490 CO 0.05 0.00 0.39 1.49 -0.73 0.00 0.00 179.01 180.21 1smy h GLU 491 N 0.00 0.57 -0.97 1.92 4.81 -1.46 -0.93 114.58 118.52 1smy h GLU 491 Ca 0.07 -0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.42 1smy h GLU 491 Cb 0.30 -0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.46 1smy h GLU 491 CO -0.00 0.38 0.58 -0.44 -0.73 0.00 0.00 179.01 178.80 1smy h ASP 492 N 0.59 0.79 0.00 1.04 5.19 -1.56 -1.27 116.42 121.19 1smy h ASP 492 Ca 0.43 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1smy h ASP 492 Cb 0.58 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1smy h ASP 492 CO -0.35 0.34 0.13 0.54 -3.12 0.00 0.00 179.24 176.79 1smy n ARG 493 N -4.73 0.09 -4.38 3.56 1.74 -0.35 -4.19 116.66 108.39 1smy n ARG 493 Ca 0.20 0.56 -0.19 0.00 -0.77 0.00 0.00 57.85 57.66 1smy n ARG 493 Cb 0.46 -1.93 -0.10 0.00 -1.02 0.00 0.00 32.46 29.87 1smy n ARG 493 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1smy s TYR 494 N -3.31 1.73 -0.73 -1.55 1.51 -0.48 -5.10 117.35 109.41 1smy s TYR 494 Ca -0.02 -1.10 -0.14 0.00 -1.01 0.00 0.00 57.07 54.81 1smy s TYR 494 Cb 0.04 -1.07 0.19 0.00 -0.11 0.00 0.00 41.96 41.01 1smy s TYR 494 CO 0.13 -0.20 0.67 0.99 -1.11 0.00 0.00 175.55 176.04 1smy s THR 495 N -3.54 5.40 0.08 -0.71 2.01 -1.26 -4.42 115.64 113.20 1smy s THR 495 Ca 0.37 -2.22 -0.04 0.00 0.31 0.00 0.00 61.69 60.12 1smy s THR 495 Cb 0.08 -4.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1smy s THR 495 CO 0.15 -0.97 0.30 -0.63 -0.69 0.00 0.00 174.62 172.77 1smy s ILE 496 N 0.56 5.27 0.39 1.82 1.01 -1.25 -2.15 121.20 126.85 1smy s ILE 496 Ca 0.14 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.80 1smy s ILE 496 Cb -0.16 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1smy s ILE 496 CO -0.05 0.15 0.12 0.00 0.00 0.00 0.00 174.94 175.15 1smy s ALA 497 N -1.52 3.44 0.59 9.38 0.00 0.53 0.98 121.76 135.15 1smy s ALA 497 Ca 0.36 -2.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.20 1smy s ALA 497 Cb -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1smy s ALA 497 CO 0.24 -0.08 0.90 -0.65 0.00 0.00 0.00 175.76 176.17 1smy s GLN 498 N -3.83 3.01 0.19 0.00 -1.52 -1.26 -0.00 119.66 116.25 1smy s GLN 498 Ca 0.39 0.08 -0.07 0.00 -1.95 0.00 0.00 55.36 53.81 1smy s GLN 498 Cb 0.03 -2.26 0.11 0.00 -0.22 0.00 0.00 33.01 30.66 1smy s GLN 498 CO 0.21 -0.66 1.58 0.00 -0.25 0.00 0.00 175.29 176.18 1smy h ALA 499 N -0.16 0.78 0.00 6.09 0.00 -1.90 -3.34 119.26 120.72 1smy h ALA 499 Ca -0.45 -0.40 -0.46 0.00 0.00 0.00 0.00 54.91 53.60 1smy h ALA 499 Cb 1.25 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.91 1smy h ALA 499 CO 0.61 0.65 2.95 0.09 0.00 0.00 0.00 179.25 183.55 1smy n ASN 500 N -4.09 6.07 -3.95 0.00 3.02 -1.26 -4.79 115.26 110.25 1smy n ASN 500 Ca -0.00 -2.39 -0.28 0.00 -0.03 0.00 0.00 54.58 51.87 1smy n ASN 500 Cb 0.47 -1.23 -0.17 0.00 -0.61 0.00 0.00 39.78 38.24 1smy n ASN 500 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1smy s THR 501 N 3.02 1.25 -0.25 3.41 -4.23 -1.25 -5.03 115.64 112.55 1smy s THR 501 Ca 0.49 -0.46 -0.42 0.00 -1.18 0.00 0.00 61.69 60.11 1smy s THR 501 Cb 0.13 -1.24 -0.18 0.00 1.34 0.00 0.00 72.50 72.54 1smy s THR 501 CO -0.04 0.38 1.49 -2.65 -0.54 0.00 0.00 174.62 173.26 1smy n PRO 502 N 4.87 0.48 -4.71 3.99 -0.02 -1.26 -4.88 135.00 133.46 1smy n PRO 502 Ca -0.14 0.17 -0.24 0.00 -2.02 0.00 0.00 63.50 61.28 1smy n PRO 502 Cb 0.50 -1.74 -0.15 0.00 -0.02 0.00 0.00 33.50 32.08 1smy n PRO 502 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1smy s LEU 503 N 2.16 1.98 -0.14 2.45 2.01 -1.26 -1.21 118.68 124.67 1smy s LEU 503 Ca 0.97 -0.28 0.17 0.00 0.01 0.00 0.00 54.13 55.00 1smy s LEU 503 Cb -1.26 -0.80 0.72 0.00 0.01 0.00 0.00 46.19 44.86 1smy s LEU 503 CO 0.67 0.17 1.63 -0.62 1.01 0.00 0.00 176.35 179.22 1smy n GLU 504 N 2.84 3.90 0.00 1.70 1.02 0.24 -4.96 120.64 125.38 1smy n GLU 504 Ca -0.15 -2.92 0.00 0.00 -0.02 0.00 0.00 57.16 54.07 1smy n GLU 504 Cb 0.54 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1smy n GLU 504 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1smy n GLY 505 N 0.91 1.95 0.08 0.62 0.00 -1.26 -4.56 105.19 102.92 1smy n GLY 505 Ca 0.26 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1smy n GLY 505 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1smy n ASN 506 N 0.00 0.46 -4.79 1.61 3.02 -1.26 -4.70 115.26 109.60 1smy n ASN 506 Ca 0.00 0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 54.36 1smy n ASN 506 Cb 0.00 0.82 -0.06 0.00 -0.61 0.00 0.00 39.78 39.93 1smy n ASN 506 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1smy s ARG 507 N -3.01 4.34 0.59 3.52 0.52 -1.26 0.13 118.95 123.78 1smy s ARG 507 Ca -0.06 0.87 -0.15 0.00 -0.52 0.00 0.00 55.73 55.87 1smy s ARG 507 Cb 0.09 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1smy s ARG 507 CO 0.84 0.53 1.05 0.42 0.02 0.00 0.00 175.30 178.15 1smy s ILE 508 N -0.82 3.95 -0.38 1.52 -1.09 -1.08 -0.59 121.20 122.72 1smy s ILE 508 Ca 0.32 0.90 0.07 0.00 -2.23 0.00 0.00 60.65 59.71 1smy s ILE 508 Cb -0.20 -3.44 -0.06 0.00 -1.58 0.00 0.00 42.46 37.18 1smy s ILE 508 CO 0.21 -0.57 0.33 0.00 -1.23 0.00 0.00 174.94 173.68 1smy n ALA 509 N -2.04 2.82 -2.62 9.38 0.00 -0.35 -4.75 120.51 122.95 1smy n ALA 509 Ca 0.08 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 1smy n ALA 509 Cb 0.53 -0.24 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 1smy n ALA 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smy s ALA 510 N -1.50 1.30 0.05 0.00 0.00 -1.26 -5.03 121.76 115.31 1smy s ALA 510 Ca 0.03 -0.89 -0.35 0.00 0.00 0.00 0.00 51.96 50.75 1smy s ALA 510 Cb 0.05 -0.21 -0.19 0.00 0.00 0.00 0.00 23.12 22.77 1smy s ALA 510 CO 0.25 0.25 1.45 1.49 0.00 0.00 0.00 175.76 179.20 1smy h GLU 511 N 4.84 -1.20 -5.25 0.00 4.81 -1.95 -3.38 114.58 112.45 1smy h GLU 511 Ca -0.39 0.08 -0.66 0.00 -0.13 0.00 0.00 59.36 58.26 1smy h GLU 511 Cb 1.18 0.27 -0.16 0.00 0.63 0.00 0.00 28.75 30.67 1smy h GLU 511 CO 0.43 -0.80 0.24 1.03 -0.73 0.00 0.00 179.01 179.18 1smy s ARG 512 N -5.64 3.18 -0.04 1.92 0.52 -1.26 -3.72 118.95 113.91 1smy s ARG 512 Ca -0.18 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.34 1smy s ARG 512 Cb 0.02 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.39 1smy s ARG 512 CO 0.55 -1.35 -0.14 0.08 0.02 0.00 0.00 175.30 174.46 1smy s VAL 513 N 3.12 1.19 0.78 3.52 1.01 -0.59 -4.96 120.40 124.47 1smy s VAL 513 Ca 0.20 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1smy s VAL 513 Cb -0.17 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.22 1smy s VAL 513 CO 0.14 0.35 1.09 0.52 0.00 0.00 0.00 175.10 177.20 1smy n VAL 514 N 3.26 2.33 -3.58 2.92 0.31 -1.26 -1.02 118.33 121.28 1smy n VAL 514 Ca -0.19 -0.27 -0.06 0.00 -0.01 0.00 0.00 64.34 63.82 1smy n VAL 514 Cb 0.53 -1.15 -0.03 0.00 -0.91 0.00 0.00 33.84 32.28 1smy n VAL 514 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1smy s ALA 515 N -2.00 -2.02 -0.21 3.52 0.00 -0.90 -4.06 121.76 116.09 1smy s ALA 515 Ca 0.73 1.53 -0.01 0.00 0.00 0.00 0.00 51.96 54.21 1smy s ALA 515 Cb -0.31 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.61 1smy s ALA 515 CO 0.51 -0.53 -0.02 1.03 0.00 0.00 0.00 175.76 176.75 1smy s ARG 516 N -2.21 1.20 1.30 0.00 1.81 0.28 -0.23 118.95 121.10 1smy s ARG 516 Ca 0.07 -0.72 -0.21 0.00 -1.72 0.00 0.00 55.73 53.15 1smy s ARG 516 Cb -0.01 -2.35 0.32 0.00 -0.45 0.00 0.00 34.95 32.47 1smy s ARG 516 CO -0.05 -0.60 1.05 1.03 -0.68 0.00 0.00 175.30 176.05 1smy s ARG 517 N 1.61 -2.00 -0.87 3.54 1.81 0.61 -3.97 118.95 119.67 1smy s ARG 517 Ca -0.03 -0.08 -0.18 0.00 -1.72 0.00 0.00 55.73 53.71 1smy s ARG 517 Cb -0.18 -1.51 -0.23 0.00 -0.45 0.00 0.00 34.95 32.59 1smy s ARG 517 CO -0.07 -4.22 2.27 0.36 -0.68 0.00 0.00 175.30 172.96 1smy n LYS 518 N -5.12 0.29 0.00 3.54 2.85 -1.26 -1.60 118.16 116.86 1smy n LYS 518 Ca 0.14 -0.49 0.00 0.00 -1.05 0.00 0.00 58.31 56.92 1smy n LYS 518 Cb 0.60 -2.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.51 1smy n LYS 518 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1smy n GLY 519 N 6.18 3.06 3.54 2.58 0.00 -1.26 -5.05 105.19 114.23 1smy n GLY 519 Ca 0.55 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 1smy n GLY 519 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1smy s GLU 520 N -0.31 2.12 -0.18 1.61 2.02 -0.63 -5.10 118.70 118.24 1smy s GLU 520 Ca 0.00 -1.00 -0.29 0.00 0.02 0.00 0.00 54.97 53.70 1smy s GLU 520 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1smy s GLU 520 CO 0.00 0.52 1.02 -2.14 0.02 0.00 0.00 175.26 174.68 1smy s PRO 521 N -1.91 4.33 -0.03 0.39 0.02 -1.26 -0.29 135.00 136.26 1smy s PRO 521 Ca 0.19 1.35 -0.00 0.00 0.02 0.00 0.00 61.00 62.56 1smy s PRO 521 Cb -0.11 -3.60 0.03 0.00 0.02 0.00 0.00 34.50 30.84 1smy s PRO 521 CO 0.10 -0.49 0.03 0.08 -0.33 0.00 0.00 177.00 176.40 1smy s VAL 522 N 2.67 -0.04 -0.50 3.83 1.01 0.68 -4.94 120.40 123.11 1smy s VAL 522 Ca 0.45 0.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.40 1smy s VAL 522 Cb -0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1smy s VAL 522 CO 0.11 0.11 1.66 -0.51 0.00 0.00 0.00 175.10 176.47 1smy s ILE 523 N 1.28 3.58 0.47 2.22 2.07 -1.26 -2.12 121.20 127.44 1smy s ILE 523 Ca -0.06 0.50 0.08 0.00 -1.41 0.00 0.00 60.65 59.75 1smy s ILE 523 Cb -0.13 -4.04 0.01 0.00 0.13 0.00 0.00 42.46 38.44 1smy s ILE 523 CO -0.03 -0.84 0.47 0.54 -1.91 0.00 0.00 174.94 173.18 1smy s VAL 524 N 7.15 2.36 0.06 4.00 0.11 -0.19 -4.87 120.40 129.01 1smy s VAL 524 Ca 0.65 -1.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1smy s VAL 524 Cb -0.15 -2.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 1smy s VAL 524 CO 0.27 0.00 0.18 -0.55 -3.33 0.00 0.00 175.10 171.67 1smy s SER 525 N -4.28 6.16 0.61 3.54 0.15 -1.26 -1.54 113.70 117.09 1smy s SER 525 Ca 0.48 0.21 0.28 0.00 0.70 0.00 0.00 55.95 57.62 1smy s SER 525 Cb -0.04 -1.85 1.52 0.00 -1.71 0.00 0.00 66.02 63.94 1smy s SER 525 CO 0.29 0.18 1.84 -0.65 1.20 0.00 0.00 173.24 176.10 1smy h PRO 526 N 3.20 0.00 0.00 5.44 0.11 -1.80 0.22 132.00 139.17 1smy h PRO 526 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1smy h PRO 526 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1smy h PRO 526 CO 0.73 0.00 -0.19 0.93 -0.21 0.00 0.00 178.00 179.26 1smy h GLU 527 N 0.00 0.00 0.00 1.05 3.07 -1.93 -3.28 114.58 113.49 1smy h GLU 527 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1smy h GLU 527 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1smy h GLU 527 CO 0.00 0.00 -0.98 0.39 -1.40 0.00 0.00 179.01 177.02 1smy n GLU 528 N -2.87 0.57 -2.04 2.33 1.02 0.74 -4.83 120.64 115.56 1smy n GLU 528 Ca 0.04 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 1smy n GLU 528 Cb 0.52 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1smy n GLU 528 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1smy s VAL 529 N -2.87 3.43 -0.15 2.62 1.01 -1.09 -4.71 120.40 118.64 1smy s VAL 529 Ca 0.06 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 1smy s VAL 529 Cb 0.15 -3.85 -0.24 0.00 0.00 0.00 0.00 36.38 32.43 1smy s VAL 529 CO 0.80 -0.73 0.24 -0.62 0.00 0.00 0.00 175.10 174.79 1smy n GLU 530 N 8.86 0.72 -4.30 2.72 1.02 -0.91 -4.48 120.64 124.27 1smy n GLU 530 Ca 0.21 0.23 -0.16 0.00 -0.02 0.00 0.00 57.16 57.42 1smy n GLU 530 Cb 0.50 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 1smy n GLU 530 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1smy s PHE 531 N -2.55 1.45 0.02 -0.32 0.40 -1.13 -0.52 117.98 115.33 1smy s PHE 531 Ca -0.23 -0.99 -0.10 0.00 -0.60 0.00 0.00 56.93 55.00 1smy s PHE 531 Cb 0.07 -0.84 0.01 0.00 0.51 0.00 0.00 43.02 42.77 1smy s PHE 531 CO 0.74 -0.14 0.21 1.41 0.70 0.00 0.00 175.22 178.14 1smy s MET 532 N -3.91 0.64 0.05 0.44 1.75 0.37 -0.35 119.30 118.30 1smy s MET 532 Ca 0.28 -0.47 -0.31 0.00 -1.25 0.00 0.00 55.69 53.95 1smy s MET 532 Cb 0.06 0.27 -0.06 0.00 2.84 0.00 0.00 34.83 37.94 1smy s MET 532 CO 0.08 -0.18 1.29 -0.51 -0.65 0.00 0.00 175.02 175.05 1smy s ASP 533 N -1.74 6.96 0.09 1.11 1.11 1.00 -0.22 116.67 124.99 1smy s ASP 533 Ca -0.09 2.10 -0.30 0.00 0.18 0.00 0.00 52.55 54.44 1smy s ASP 533 Cb -0.04 -2.58 -0.13 0.00 1.07 0.00 0.00 42.92 41.24 1smy s ASP 533 CO -0.01 -0.58 1.64 0.58 1.18 0.00 0.00 175.17 177.98 1smy h VAL 534 N 4.56 0.40 -2.26 -1.27 2.07 -1.91 -3.30 116.25 114.55 1smy h VAL 534 Ca -0.40 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.25 1smy h VAL 534 Cb 1.20 0.40 -0.14 0.00 -1.52 0.00 0.00 31.29 31.23 1smy h VAL 534 CO 0.85 0.00 0.50 -0.94 0.02 0.00 0.00 177.57 178.00 1smy s SER 535 N -4.66 -0.32 0.27 0.57 1.04 -1.26 -4.76 113.70 104.58 1smy s SER 535 Ca -0.16 -0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 1smy s SER 535 Cb 0.06 0.40 0.60 0.00 0.10 0.00 0.00 66.02 67.18 1smy s SER 535 CO 0.64 -0.66 1.70 -0.65 0.98 0.00 0.00 173.24 175.24 1smy h PRO 536 N 2.00 0.35 -1.18 4.02 0.11 -1.98 -2.45 132.00 132.87 1smy h PRO 536 Ca -0.22 -0.02 0.34 0.00 0.11 0.00 0.00 66.00 66.21 1smy h PRO 536 Cb 1.24 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1smy h PRO 536 CO 0.30 0.23 1.02 0.87 -0.21 0.00 0.00 178.00 180.20 1smy h LYS 537 N 0.36 0.00 0.00 1.05 1.57 -1.96 0.15 116.57 117.73 1smy h LYS 537 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1smy h LYS 537 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1smy h LYS 537 CO -0.51 0.00 0.00 -0.56 -0.57 0.00 0.00 179.45 177.81 1smy h GLN 538 N 0.00 0.00 0.00 3.15 3.07 -1.86 -3.13 115.11 116.35 1smy h GLN 538 Ca 0.56 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 59.19 1smy h GLN 538 Cb 2.59 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 30.13 1smy h GLN 538 CO -0.01 0.00 -0.52 0.28 0.09 0.00 0.00 178.83 178.67 1smy h VAL 539 N 0.00 1.23 -1.28 1.86 2.07 -0.91 -3.17 116.25 116.06 1smy h VAL 539 Ca 0.00 -1.88 -0.63 0.00 0.82 0.00 0.00 66.70 65.01 1smy h VAL 539 Cb 0.66 2.06 -0.13 0.00 -1.52 0.00 0.00 31.29 32.36 1smy h VAL 539 CO 0.00 0.51 -0.53 -0.36 0.02 0.00 0.00 177.57 177.21 1smy s PHE 540 N -3.62 1.94 0.98 1.57 0.40 -1.18 -4.32 117.98 113.75 1smy s PHE 540 Ca -0.01 -1.00 -0.15 0.00 -0.60 0.00 0.00 56.93 55.17 1smy s PHE 540 Cb 0.12 -1.50 0.18 0.00 0.51 0.00 0.00 43.02 42.34 1smy s PHE 540 CO 0.73 0.11 1.18 -1.54 0.70 0.00 0.00 175.22 176.40 1smy s SER 541 N -3.76 2.90 0.08 1.36 1.04 -1.26 -0.04 113.70 114.02 1smy s SER 541 Ca 0.16 0.70 -0.16 0.00 0.48 0.00 0.00 55.95 57.14 1smy s SER 541 Cb 0.03 -1.07 -0.12 0.00 0.10 0.00 0.00 66.02 64.96 1smy s SER 541 CO 0.09 -2.90 1.35 0.58 0.98 0.00 0.00 173.24 173.33 1smy h VAL 542 N -1.75 1.32 0.00 5.02 2.07 -1.87 -1.46 116.25 119.59 1smy h VAL 542 Ca -0.48 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 1smy h VAL 542 Cb 1.30 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1smy h VAL 542 CO 0.50 0.50 -0.06 -1.13 0.02 0.00 0.00 177.57 177.40 1smy h ASN 543 N 0.33 0.00 0.07 0.57 -1.24 -1.93 -3.01 115.58 110.37 1smy h ASN 543 Ca 0.01 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.65 1smy h ASN 543 Cb 0.98 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.99 1smy h ASN 543 CO 0.09 0.06 -2.23 0.41 -1.29 0.00 0.00 177.43 174.47 1smy n THR 544 N -3.51 1.64 0.00 -3.57 -1.04 -1.16 -4.28 114.28 102.37 1smy n THR 544 Ca -0.02 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 1smy n THR 544 Cb 0.18 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 1smy n THR 544 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1smy n ASN 545 N -3.37 0.00 -0.16 8.00 2.85 -0.56 -1.35 115.26 120.67 1smy n ASN 545 Ca -0.39 0.16 0.13 0.00 -0.11 0.00 0.00 54.58 54.37 1smy n ASN 545 Cb 1.02 -0.16 0.39 0.00 1.24 0.00 0.00 39.78 42.27 1smy n ASN 545 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1smy n LEU 546 N -1.11 0.78 -4.69 1.20 4.77 -1.24 -4.69 117.00 112.02 1smy n LEU 546 Ca 0.00 -0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.42 1smy n LEU 546 Cb 0.03 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1smy n LEU 546 CO 0.00 0.15 0.82 -0.63 -1.33 0.00 0.00 177.39 176.40 1smy s ILE 547 N -2.64 4.71 0.00 -0.08 1.01 -0.46 -4.38 121.20 119.36 1smy s ILE 547 Ca 0.21 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.84 1smy s ILE 547 Cb 0.19 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1smy s ILE 547 CO 0.56 -0.00 0.17 -2.65 0.00 0.00 0.00 174.94 173.02 1smy n PRO 548 N 5.09 0.00 -2.37 2.79 -0.02 -1.26 -3.76 135.00 135.47 1smy n PRO 548 Ca 0.09 0.15 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 1smy n PRO 548 Cb 0.48 -0.67 0.02 0.00 -0.02 0.00 0.00 33.50 33.31 1smy n PRO 548 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1smy n PHE 549 N -0.32 2.93 -0.33 6.00 3.72 -1.26 -4.50 117.46 123.70 1smy n PHE 549 Ca 0.00 -2.55 0.25 0.00 -0.05 0.00 0.00 57.45 55.10 1smy n PHE 549 Cb 0.00 -1.13 0.50 0.00 -0.94 0.00 0.00 39.48 37.91 1smy n PHE 549 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1smy h LEU 550 N 3.63 0.48 -1.92 4.37 5.85 -1.81 0.40 115.31 126.30 1smy h LEU 550 Ca 0.52 0.20 0.17 0.00 0.84 0.00 0.00 57.88 59.62 1smy h LEU 550 Cb 0.23 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1smy h LEU 550 CO 1.25 -0.20 0.55 -0.33 -0.34 0.00 0.00 178.44 179.38 1smy h GLU 551 N 0.26 0.00 -0.57 1.25 3.07 -1.87 0.19 114.58 116.92 1smy h GLU 551 Ca 0.76 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 59.38 1smy h GLU 551 Cb 1.79 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.55 1smy h GLU 551 CO -0.64 0.00 0.18 0.72 -1.40 0.00 0.00 179.01 177.87 1smy n HIS 552 N -3.86 1.81 -4.25 4.33 8.25 0.14 -4.92 115.22 116.72 1smy n HIS 552 Ca 0.12 -1.48 -0.22 0.00 -0.26 0.00 0.00 57.72 55.88 1smy n HIS 552 Cb 0.78 -0.61 -0.17 0.00 1.12 0.00 0.00 29.99 31.11 1smy n HIS 552 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1smy s ASP 553 N -1.87 1.34 -0.09 0.41 -0.00 0.67 0.21 116.67 117.35 1smy s ASP 553 Ca 0.49 -0.19 -0.35 0.00 -0.00 0.00 0.00 52.55 52.50 1smy s ASP 553 Cb 0.42 -0.60 -0.13 0.00 -0.00 0.00 0.00 42.92 42.61 1smy s ASP 553 CO 0.06 -0.04 1.79 -0.67 -0.00 0.00 0.00 175.17 176.31 1smy n ASP 554 N 4.11 3.09 -0.13 0.27 2.03 0.64 -4.77 116.55 121.80 1smy n ASP 554 Ca -0.22 1.02 0.27 0.00 0.52 0.00 0.00 54.79 56.37 1smy n ASP 554 Cb 0.51 -1.32 0.58 0.00 -0.72 0.00 0.00 41.12 40.17 1smy n ASP 554 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1smy h ALA 555 N 8.12 2.70 -0.03 -1.67 0.00 -1.91 0.29 119.26 126.75 1smy h ALA 555 Ca -0.48 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1smy h ALA 555 Cb 1.28 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1smy h ALA 555 CO 0.93 -1.37 -0.05 -0.97 0.00 0.00 0.00 179.25 177.80 1smy h ASN 556 N 0.00 0.11 1.86 0.00 -1.24 -1.97 -3.27 115.58 111.07 1smy h ASN 556 Ca 0.40 -0.53 -0.00 0.00 0.71 0.00 0.00 56.30 56.88 1smy h ASN 556 Cb 2.26 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 41.28 1smy h ASN 556 CO -0.00 0.62 -0.02 -0.09 -1.29 0.00 0.00 177.43 176.64 1smy h ARG 557 N -0.40 0.00 0.00 6.67 9.65 -0.79 -2.96 114.38 126.54 1smy h ARG 557 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1smy h ARG 557 Cb 0.60 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 1smy h ARG 557 CO 0.01 0.02 -0.17 0.00 2.80 0.00 0.00 179.97 182.63 1smy h ALA 558 N 1.98 1.29 0.02 2.80 0.00 -1.48 -1.84 119.26 122.03 1smy h ALA 558 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1smy h ALA 558 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1smy h ALA 558 CO 0.00 0.21 -0.01 1.25 0.00 0.00 0.00 179.25 180.71 1smy h LEU 559 N 0.00 -0.02 -0.88 0.00 5.85 -1.57 0.16 115.31 118.85 1smy h LEU 559 Ca -0.00 -0.11 0.18 0.00 0.84 0.00 0.00 57.88 58.79 1smy h LEU 559 Cb 0.43 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.36 1smy h LEU 559 CO 0.02 0.10 0.42 0.24 -0.34 0.00 0.00 178.44 178.88 1smy h MET 560 N -0.15 0.50 0.59 1.25 2.86 -1.47 0.14 114.93 118.65 1smy h MET 560 Ca -0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1smy h MET 560 Cb 0.14 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.69 1smy h MET 560 CO 0.00 0.33 -0.28 0.78 1.06 0.00 0.00 176.91 178.80 1smy h GLY 561 N 0.52 -0.82 -0.16 8.32 0.00 -0.91 0.20 103.07 110.21 1smy h GLY 561 Ca 0.51 0.31 0.18 0.00 0.00 0.00 0.00 47.33 48.33 1smy h GLY 561 CO -0.45 -0.30 0.20 1.76 0.00 0.00 0.00 176.54 177.75 1smy h SER 562 N -0.82 0.02 -0.46 0.19 0.02 -0.36 -0.03 113.55 112.12 1smy h SER 562 Ca -0.08 0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1smy h SER 562 Cb 0.61 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1smy h SER 562 CO 0.13 -0.06 -0.17 -1.13 -1.14 0.00 0.00 176.83 174.47 1smy h ASN 563 N 0.27 0.94 -0.41 3.07 -0.73 -0.96 -3.19 115.58 114.56 1smy h ASN 563 Ca 0.45 -0.38 0.09 0.00 1.87 0.00 0.00 56.30 58.32 1smy h ASN 563 Cb 0.80 -0.26 -0.09 0.00 0.27 0.00 0.00 38.32 39.05 1smy h ASN 563 CO -0.54 1.11 -0.19 -0.03 -0.37 0.00 0.00 177.43 177.41 1smy h MET 564 N 0.76 -0.11 -0.74 6.67 4.05 0.14 -0.79 114.93 124.91 1smy h MET 564 Ca 0.11 0.01 0.17 0.00 -0.28 0.00 0.00 59.70 59.70 1smy h MET 564 Cb 0.73 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.51 1smy h MET 564 CO 0.06 -0.07 0.50 1.96 0.23 0.00 0.00 176.91 179.59 1smy h GLN 565 N -0.11 0.29 0.00 0.39 4.20 -1.44 0.55 115.11 118.99 1smy h GLN 565 Ca 0.20 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1smy h GLN 565 Cb 0.42 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1smy h GLN 565 CO -0.48 0.19 0.00 2.41 -0.67 0.00 0.00 178.83 180.28 1smy n THR 566 N -4.44 1.08 -1.30 -0.54 -1.04 -0.30 -1.04 114.28 106.70 1smy n THR 566 Ca 0.14 0.44 -0.09 0.00 -2.04 0.00 0.00 64.05 62.50 1smy n THR 566 Cb 0.61 -1.37 0.21 0.00 -1.82 0.00 0.00 70.33 67.96 1smy n THR 566 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1smy n GLN 567 N -2.03 2.29 -2.92 -2.82 7.27 0.19 -4.66 117.38 114.70 1smy n GLN 567 Ca 0.01 -3.09 -0.41 0.00 0.07 0.00 0.00 57.00 53.57 1smy n GLN 567 Cb 0.13 -1.97 -0.04 0.00 2.41 0.00 0.00 30.24 30.76 1smy n GLN 567 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1smy s ALA 568 N -3.19 3.60 -0.24 1.69 0.00 -0.20 -1.87 121.76 121.54 1smy s ALA 568 Ca 0.49 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.18 1smy s ALA 568 Cb 0.43 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1smy s ALA 568 CO 0.06 -0.80 0.42 0.54 0.00 0.00 0.00 175.76 175.97 1smy s VAL 569 N 2.53 5.16 0.12 0.00 0.11 -1.08 -4.24 120.40 123.00 1smy s VAL 569 Ca 0.35 0.72 -0.33 0.00 -2.93 0.00 0.00 61.98 59.78 1smy s VAL 569 Cb -0.16 -3.75 -0.13 0.00 -1.53 0.00 0.00 36.38 30.82 1smy s VAL 569 CO 0.09 0.18 1.70 -2.65 -3.33 0.00 0.00 175.10 171.09 1smy n PRO 570 N 5.00 2.36 -3.82 1.54 -0.02 -1.26 -4.74 135.00 134.06 1smy n PRO 570 Ca -0.07 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 1smy n PRO 570 Cb 0.51 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.26 1smy n PRO 570 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1smy s LEU 571 N 1.82 4.39 0.46 2.45 1.02 -1.26 -4.47 118.68 123.09 1smy s LEU 571 Ca 0.81 0.52 0.20 0.00 0.02 0.00 0.00 54.13 55.69 1smy s LEU 571 Cb -0.62 -2.37 1.19 0.00 0.02 0.00 0.00 46.19 44.41 1smy s LEU 571 CO 0.39 0.33 1.91 0.16 0.02 0.00 0.00 176.35 179.17 1smy h ILE 572 N 3.50 0.72 -3.32 -0.59 3.07 -1.52 -2.64 117.51 116.73 1smy h ILE 572 Ca -0.52 -0.09 -0.79 0.00 1.55 0.00 0.00 64.86 65.00 1smy h ILE 572 Cb 1.21 0.43 -0.27 0.00 -0.27 0.00 0.00 36.82 37.92 1smy h ILE 572 CO 0.62 0.05 0.61 0.54 -1.05 0.00 0.00 178.15 178.92 1smy n ARG 573 N -4.44 3.65 -0.59 0.16 5.12 -1.26 -5.03 116.66 114.27 1smy n ARG 573 Ca 0.15 -4.40 -0.30 0.00 -1.93 0.00 0.00 57.85 51.37 1smy n ARG 573 Cb 0.65 -2.60 0.21 0.00 -1.16 0.00 0.00 32.46 29.56 1smy n ARG 573 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1smy n ALA 574 N 2.81 -2.66 0.00 7.54 0.00 -1.00 -4.80 120.51 122.41 1smy n ALA 574 Ca 0.26 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1smy n ALA 574 Cb 0.39 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1smy n ALA 574 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1smy n GLN 575 N -3.95 0.00 -2.67 0.00 7.27 -1.13 -4.94 117.38 111.96 1smy n GLN 575 Ca 0.05 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.75 1smy n GLN 575 Cb 0.55 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.15 1smy n GLN 575 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1smy s ALA 576 N 0.00 3.20 0.46 1.69 0.00 -1.26 -3.82 121.76 122.03 1smy s ALA 576 Ca 0.00 0.62 -0.22 0.00 0.00 0.00 0.00 51.96 52.36 1smy s ALA 576 Cb 0.00 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 1smy s ALA 576 CO 0.00 0.02 0.70 -2.30 0.00 0.00 0.00 175.76 174.19 1smy n PRO 577 N 0.48 0.80 0.29 0.00 -0.02 -1.26 -4.66 135.00 130.63 1smy n PRO 577 Ca 0.02 0.29 0.15 0.00 -2.02 0.00 0.00 63.50 61.95 1smy n PRO 577 Cb 0.49 -1.74 0.90 0.00 -0.02 0.00 0.00 33.50 33.14 1smy n PRO 577 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1smy h VAL 578 N 0.88 0.47 -3.25 -1.45 -1.51 -1.93 -3.38 116.25 106.07 1smy h VAL 578 Ca -0.43 -0.14 -0.47 0.00 -1.23 0.00 0.00 66.70 64.43 1smy h VAL 578 Cb 1.38 1.09 -0.39 0.00 -2.13 0.00 0.00 31.29 31.24 1smy h VAL 578 CO 0.52 0.03 -0.77 0.54 -1.23 0.00 0.00 177.57 176.66 1smy s VAL 579 N -4.46 0.44 0.49 7.19 0.11 -1.26 -2.90 120.40 120.00 1smy s VAL 579 Ca -0.04 -0.12 0.06 0.00 -2.93 0.00 0.00 61.98 58.95 1smy s VAL 579 Cb 0.14 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 1smy s VAL 579 CO 0.54 0.10 0.32 0.00 -3.33 0.00 0.00 175.10 172.74 1smy s MET 580 N 1.93 2.29 -0.20 1.54 0.00 -1.20 -4.72 119.30 118.95 1smy s MET 580 Ca 0.03 -1.92 0.14 0.00 0.00 0.00 0.00 55.69 53.94 1smy s MET 580 Cb -0.14 -2.08 -0.23 0.00 0.00 0.00 0.00 34.83 32.38 1smy s MET 580 CO -0.06 -0.42 0.01 0.25 0.00 0.00 0.00 175.02 174.80 1smy n THR 581 N -1.58 1.36 0.00 3.16 -2.24 -1.26 -1.81 114.28 111.90 1smy n THR 581 Ca -0.02 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1smy n THR 581 Cb 0.64 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1smy n THR 581 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1smy n GLY 582 N 1.90 0.65 0.01 3.38 0.00 -1.26 -3.94 105.19 105.92 1smy n GLY 582 Ca -0.34 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.74 1smy n GLY 582 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1smy n LEU 583 N 0.00 0.02 -0.34 0.99 4.77 -1.26 -4.65 117.00 116.53 1smy n LEU 583 Ca 0.00 -0.01 0.16 0.00 -0.03 0.00 0.00 56.01 56.12 1smy n LEU 583 Cb 0.00 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.40 1smy n LEU 583 CO 0.00 0.00 0.83 -0.33 -1.33 0.00 0.00 177.39 176.56 1smy h GLU 584 N 0.00 0.02 0.86 3.23 4.39 -1.95 0.19 114.58 121.33 1smy h GLU 584 Ca 0.00 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1smy h GLU 584 Cb 0.55 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1smy h GLU 584 CO 0.00 0.01 -0.42 1.05 -1.16 0.00 0.00 179.01 178.50 1smy h GLU 585 N 0.02 -1.12 -0.76 2.33 4.11 -1.83 -2.85 114.58 114.49 1smy h GLU 585 Ca 0.61 0.08 0.14 0.00 0.07 0.00 0.00 59.36 60.26 1smy h GLU 585 Cb 1.29 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.75 1smy h GLU 585 CO -0.89 -0.74 0.50 0.00 0.07 0.00 0.00 179.01 177.95 1smy h ARG 586 N -1.24 0.44 0.27 1.06 2.47 -1.35 -2.34 114.38 113.70 1smy h ARG 586 Ca -0.12 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 1smy h ARG 586 Cb 0.90 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 1smy h ARG 586 CO 0.19 0.29 -0.13 0.28 0.56 0.00 0.00 179.97 181.17 1smy h VAL 587 N 0.45 0.00 -1.11 2.04 2.07 -0.59 0.58 116.25 119.69 1smy h VAL 587 Ca 0.37 -0.08 0.31 0.00 0.82 0.00 0.00 66.70 68.12 1smy h VAL 587 Cb 0.80 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 1smy h VAL 587 CO -0.12 0.00 0.76 -0.37 0.02 0.00 0.00 177.57 177.85 1smy h VAL 588 N -0.45 0.45 0.23 2.57 -1.51 -1.41 0.55 116.25 116.69 1smy h VAL 588 Ca -0.04 -0.07 -0.01 0.00 -1.23 0.00 0.00 66.70 65.35 1smy h VAL 588 Cb 0.28 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 1smy h VAL 588 CO 0.06 0.04 -0.11 -0.09 -1.23 0.00 0.00 177.57 176.24 1smy h ARG 589 N 0.20 -0.30 -0.29 5.19 9.65 -1.29 -2.40 114.38 125.13 1smy h ARG 589 Ca 0.59 0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 59.43 1smy h ARG 589 Cb 1.90 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 30.53 1smy h ARG 589 CO -0.17 -0.05 -0.08 -0.44 2.80 0.00 0.00 179.97 182.03 1smy h ASP 590 N -1.03 0.45 -4.45 -3.80 3.45 0.96 -3.40 116.42 108.61 1smy h ASP 590 Ca -0.03 -0.10 -0.48 0.00 0.43 0.00 0.00 57.03 56.85 1smy h ASP 590 Cb 0.38 -0.12 0.08 0.00 -0.56 0.00 0.00 39.33 39.12 1smy h ASP 590 CO 0.05 0.58 0.39 -0.94 -1.57 0.00 0.00 179.24 177.75 1smy s SER 591 N -6.77 5.10 -1.00 6.45 1.04 0.18 -4.80 113.70 113.90 1smy s SER 591 Ca -0.07 0.96 -0.02 0.00 0.48 0.00 0.00 55.95 57.29 1smy s SER 591 Cb 0.15 -1.65 0.30 0.00 0.10 0.00 0.00 66.02 64.92 1smy s SER 591 CO 0.77 -1.53 1.43 -0.11 0.98 0.00 0.00 173.24 174.77 1smy n LEU 592 N -3.09 6.20 -0.00 2.42 7.94 -1.26 -4.71 117.00 124.50 1smy n LEU 592 Ca 0.07 -5.29 -0.00 0.00 -1.11 0.00 0.00 56.01 49.68 1smy n LEU 592 Cb 0.59 -1.16 -0.00 0.00 0.53 0.00 0.00 43.42 43.38 1smy n LEU 592 CO 0.57 1.82 -0.00 0.00 -1.11 0.00 0.00 177.39 178.67 1smy h ALA 593 N 5.01 0.00 -1.76 1.96 0.00 -1.73 -3.49 119.26 119.25 1smy h ALA 593 Ca 0.25 -0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.72 1smy h ALA 593 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.39 1smy h ALA 593 CO 1.24 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 180.33 1smy s ALA 594 N -2.99 4.10 -0.21 0.00 0.00 -1.25 -3.64 121.76 117.77 1smy s ALA 594 Ca -0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 51.96 50.47 1smy s ALA 594 Cb 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 1smy s ALA 594 CO 0.00 -0.43 0.11 -1.17 0.00 0.00 0.00 175.76 174.27 1smy s LEU 595 N -4.51 3.99 0.27 0.00 2.96 -0.27 -4.87 118.68 116.25 1smy s LEU 595 Ca 0.53 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.62 1smy s LEU 595 Cb -0.10 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1smy s LEU 595 CO 0.36 0.12 0.20 -0.31 -1.32 0.00 0.00 176.35 175.40 1smy s TYR 596 N 0.70 3.05 -0.07 5.38 1.51 -1.26 -0.01 117.35 126.65 1smy s TYR 596 Ca 0.06 -0.15 -0.25 0.00 -1.01 0.00 0.00 57.07 55.72 1smy s TYR 596 Cb -0.13 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.24 1smy s TYR 596 CO 0.01 0.47 0.77 0.00 -1.11 0.00 0.00 175.55 175.69 1smy s ALA 597 N -2.18 3.33 0.00 3.71 0.00 -0.81 -4.82 121.76 121.00 1smy s ALA 597 Ca 0.34 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1smy s ALA 597 Cb -0.07 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1smy s ALA 597 CO 0.25 -0.20 0.18 0.39 0.00 0.00 0.00 175.76 176.38 1smy n GLU 598 N 4.00 0.00 -4.26 0.00 1.02 -1.26 0.19 120.64 120.32 1smy n GLU 598 Ca 0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.88 1smy n GLU 598 Cb 0.51 -0.64 -0.09 0.00 -0.02 0.00 0.00 31.44 31.20 1smy n GLU 598 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1smy s GLU 599 N -0.35 2.18 0.66 3.49 2.12 -1.26 -3.54 118.70 122.00 1smy s GLU 599 Ca 0.00 -1.20 -0.17 0.00 0.36 0.00 0.00 54.97 53.96 1smy s GLU 599 Cb 0.00 -2.24 -0.09 0.00 0.26 0.00 0.00 34.13 32.06 1smy s GLU 599 CO 0.00 0.45 0.20 -0.25 -0.54 0.00 0.00 175.26 175.12 1smy n ASP 600 N 0.03 -2.38 0.00 -1.70 8.00 -1.26 -4.69 116.55 114.55 1smy n ASP 600 Ca -0.11 0.59 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1smy n ASP 600 Cb 0.55 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1smy n ASP 600 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1smy n GLY 601 N 2.11 -0.84 3.35 0.44 0.00 -1.05 -1.30 105.19 107.90 1smy n GLY 601 Ca 0.08 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 1smy n GLY 601 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1smy s GLU 602 N -1.11 1.32 0.21 1.61 2.12 0.29 0.13 118.70 123.26 1smy s GLU 602 Ca 0.00 -1.43 -0.23 0.00 0.36 0.00 0.00 54.97 53.67 1smy s GLU 602 Cb 0.00 -1.42 -0.08 0.00 0.26 0.00 0.00 34.13 32.89 1smy s GLU 602 CO 0.00 0.29 0.78 0.08 -0.54 0.00 0.00 175.26 175.87 1smy s VAL 603 N -1.99 4.41 -0.12 3.70 1.01 -0.78 0.19 120.40 126.82 1smy s VAL 603 Ca 0.17 1.58 -0.13 0.00 0.00 0.00 0.00 61.98 63.59 1smy s VAL 603 Cb -0.06 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1smy s VAL 603 CO 0.07 0.36 -0.26 0.00 0.00 0.00 0.00 175.10 175.27 1smy n ALA 604 N 1.15 1.02 -2.57 5.51 0.00 -0.41 -2.13 120.51 123.09 1smy n ALA 604 Ca -0.04 -0.65 -0.23 0.00 0.00 0.00 0.00 53.44 52.53 1smy n ALA 604 Cb 0.50 0.05 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 1smy n ALA 604 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1smy s LYS 605 N -2.53 1.11 -0.47 0.00 1.02 -0.91 -4.46 119.74 113.50 1smy s LYS 605 Ca -0.22 -1.01 0.03 0.00 0.02 0.00 0.00 55.97 54.79 1smy s LYS 605 Cb 0.03 -1.27 0.15 0.00 -0.52 0.00 0.00 37.83 36.22 1smy s LYS 605 CO 0.32 0.30 0.29 0.14 -0.92 0.00 0.00 175.35 175.49 1smy s VAL 606 N -1.04 1.35 0.25 3.17 -7.23 -1.26 -2.34 120.40 113.31 1smy s VAL 606 Ca 0.05 -2.77 -0.03 0.00 -1.81 0.00 0.00 61.98 57.41 1smy s VAL 606 Cb -0.09 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 1smy s VAL 606 CO 0.03 -0.98 0.49 -1.81 -0.31 0.00 0.00 175.10 172.52 1smy s ASP 607 N 0.08 6.43 0.00 4.85 1.11 0.34 -4.93 116.67 124.54 1smy s ASP 607 Ca 0.21 0.59 0.12 0.00 0.18 0.00 0.00 52.55 53.66 1smy s ASP 607 Cb -0.16 -2.09 0.72 0.00 1.07 0.00 0.00 42.92 42.45 1smy s ASP 607 CO -0.06 -0.13 1.14 0.61 1.18 0.00 0.00 175.17 177.92 1smy n GLY 608 N -0.80 -0.46 0.00 0.21 0.00 -1.26 -1.97 105.19 100.91 1smy n GLY 608 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1smy n GLY 608 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1smy n ASN 609 N -0.91 3.47 -3.49 1.61 4.05 -1.26 -4.96 115.26 113.78 1smy n ASN 609 Ca 0.09 -0.02 -0.16 0.00 0.45 0.00 0.00 54.58 54.94 1smy n ASN 609 Cb 0.04 0.73 -0.05 0.00 1.23 0.00 0.00 39.78 41.73 1smy n ASN 609 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1smy s ARG 610 N -1.42 1.12 -0.46 1.20 1.70 -0.83 -1.77 118.95 118.49 1smy s ARG 610 Ca 0.00 0.03 0.02 0.00 -0.47 0.00 0.00 55.73 55.32 1smy s ARG 610 Cb 0.00 0.52 0.14 0.00 -0.57 0.00 0.00 34.95 35.04 1smy s ARG 610 CO 0.00 -0.40 0.26 0.42 -1.08 0.00 0.00 175.30 174.50 1smy s ILE 611 N -1.99 1.55 -0.58 4.99 1.01 -1.10 0.13 121.20 125.21 1smy s ILE 611 Ca -0.07 -2.71 -0.27 0.00 0.00 0.00 0.00 60.65 57.59 1smy s ILE 611 Cb -0.00 -2.08 0.03 0.00 0.01 0.00 0.00 42.46 40.42 1smy s ILE 611 CO 0.03 -0.90 1.15 -0.69 0.00 0.00 0.00 174.94 174.53 1smy s VAL 612 N 0.19 4.07 0.36 2.92 1.01 -0.99 -3.33 120.40 124.63 1smy s VAL 612 Ca 0.18 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.96 1smy s VAL 612 Cb -0.22 -4.70 -0.02 0.00 0.00 0.00 0.00 36.38 31.43 1smy s VAL 612 CO -0.01 -1.32 0.54 0.68 0.00 0.00 0.00 175.10 174.98 1smy s VAL 613 N 4.81 4.72 -0.40 2.92 -7.23 -0.88 -1.29 120.40 123.05 1smy s VAL 613 Ca 0.40 -0.62 0.04 0.00 -1.81 0.00 0.00 61.98 60.00 1smy s VAL 613 Cb -0.08 -3.71 0.11 0.00 0.56 0.00 0.00 36.38 33.26 1smy s VAL 613 CO 0.24 -0.42 0.12 -0.60 -0.31 0.00 0.00 175.10 174.13 1smy s ARG 614 N -4.31 1.63 0.46 4.82 3.52 0.50 -1.90 118.95 123.67 1smy s ARG 614 Ca 0.42 -2.11 -0.24 0.00 -0.13 0.00 0.00 55.73 53.67 1smy s ARG 614 Cb -0.10 -3.23 -0.07 0.00 -1.56 0.00 0.00 34.95 29.99 1smy s ARG 614 CO 0.35 -1.00 1.32 0.71 -0.81 0.00 0.00 175.30 175.88 1smy s TYR 615 N 0.53 2.60 -0.85 5.12 4.12 -0.41 0.10 117.35 128.56 1smy s TYR 615 Ca 0.13 1.39 0.00 0.00 0.02 0.00 0.00 57.07 58.61 1smy s TYR 615 Cb -0.21 -3.71 0.00 0.00 -1.52 0.00 0.00 41.96 36.51 1smy s TYR 615 CO -0.06 -2.40 0.43 0.39 0.02 0.00 0.00 175.55 173.94 1smy n GLU 616 N -0.36 0.75 -0.10 -0.62 -0.58 -0.42 -2.70 120.64 116.61 1smy n GLU 616 Ca 0.06 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.92 1smy n GLU 616 Cb 0.44 -1.34 0.16 0.00 -0.57 0.00 0.00 31.44 30.14 1smy n GLU 616 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1smy n ASP 617 N 0.20 3.24 0.00 1.62 5.68 -1.26 -4.93 116.55 121.09 1smy n ASP 617 Ca 0.00 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 1smy n ASP 617 Cb 0.22 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1smy n ASP 617 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1smy n GLY 618 N 1.41 0.87 3.53 6.12 0.00 -1.10 -5.08 105.19 110.95 1smy n GLY 618 Ca 0.17 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1smy n GLY 618 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smy s ARG 619 N -0.73 1.88 -0.11 1.61 0.52 -1.23 -5.04 118.95 115.84 1smy s ARG 619 Ca 0.00 -1.70 -0.05 0.00 -0.52 0.00 0.00 55.73 53.46 1smy s ARG 619 Cb 0.00 -1.87 0.05 0.00 0.52 0.00 0.00 34.95 33.65 1smy s ARG 619 CO 0.00 0.30 0.25 -0.48 0.02 0.00 0.00 175.30 175.40 1smy s LEU 620 N -3.58 0.21 0.07 2.53 2.34 -1.26 -1.29 118.68 117.69 1smy s LEU 620 Ca 0.31 0.55 0.06 0.00 0.06 0.00 0.00 54.13 55.11 1smy s LEU 620 Cb -0.04 0.74 -0.03 0.00 -0.56 0.00 0.00 46.19 46.30 1smy s LEU 620 CO 0.17 -0.19 -0.16 -0.69 -1.06 0.00 0.00 176.35 174.42 1smy s VAL 621 N 1.57 1.29 -0.20 1.48 1.01 -0.80 -4.98 120.40 119.77 1smy s VAL 621 Ca -0.07 -1.25 -0.18 0.00 0.00 0.00 0.00 61.98 60.48 1smy s VAL 621 Cb -0.11 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1smy s VAL 621 CO -0.09 -0.08 0.51 -0.70 0.00 0.00 0.00 175.10 174.74 1smy s GLU 622 N -1.54 4.19 -0.60 2.72 2.12 -1.26 -2.06 118.70 122.28 1smy s GLU 622 Ca 0.02 0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.71 1smy s GLU 622 Cb -0.09 -3.56 0.15 0.00 0.26 0.00 0.00 34.13 30.90 1smy s GLU 622 CO 0.02 -0.13 0.42 0.71 -0.54 0.00 0.00 175.26 175.74 1smy s TYR 623 N 1.59 3.47 0.94 5.30 4.12 -1.21 -4.96 117.35 126.61 1smy s TYR 623 Ca 0.24 -2.53 -0.11 0.00 0.02 0.00 0.00 57.07 54.69 1smy s TYR 623 Cb -0.15 -3.29 0.14 0.00 -1.52 0.00 0.00 41.96 37.14 1smy s TYR 623 CO 0.10 -0.89 0.98 -2.30 0.02 0.00 0.00 175.55 173.46 1smy n PRO 624 N 3.83 -0.58 -3.75 -1.71 -0.02 -1.26 -2.69 135.00 128.82 1smy n PRO 624 Ca 0.05 -0.11 -0.29 0.00 -2.02 0.00 0.00 63.50 61.14 1smy n PRO 624 Cb 0.39 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.46 1smy n PRO 624 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1smy s LEU 625 N -5.53 1.78 -0.92 2.45 1.43 -0.73 -4.90 118.68 112.27 1smy s LEU 625 Ca 0.65 -1.25 -0.19 0.00 -1.03 0.00 0.00 54.13 52.30 1smy s LEU 625 Cb -0.23 -0.77 -0.25 0.00 0.03 0.00 0.00 46.19 44.98 1smy s LEU 625 CO 0.60 -0.35 2.37 0.54 0.23 0.00 0.00 176.35 179.74 1smy n ARG 626 N 4.93 0.19 0.00 1.70 1.74 -1.26 -4.74 116.66 119.22 1smy n ARG 626 Ca -0.06 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1smy n ARG 626 Cb 0.44 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1smy n ARG 626 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1smy n ARG 627 N 7.20 0.00 -3.40 5.56 1.85 -1.26 -3.83 116.66 122.78 1smy n ARG 627 Ca 0.61 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 57.20 1smy n ARG 627 Cb 0.20 -0.36 -0.08 0.00 -1.05 0.00 0.00 32.46 31.16 1smy n ARG 627 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1smy n PHE 628 N 0.00 2.50 -1.87 2.89 3.01 -1.26 -3.40 117.46 119.33 1smy n PHE 628 Ca 0.00 -4.00 -0.31 0.00 1.01 0.00 0.00 57.45 54.15 1smy n PHE 628 Cb 0.00 -0.49 0.02 0.00 -0.01 0.00 0.00 39.48 39.00 1smy n PHE 628 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1smy s TYR 629 N -2.00 3.37 -0.42 1.38 4.12 -1.26 -4.93 117.35 117.61 1smy s TYR 629 Ca 0.37 1.38 -0.21 0.00 0.02 0.00 0.00 57.07 58.64 1smy s TYR 629 Cb 0.14 -2.81 0.02 0.00 -1.52 0.00 0.00 41.96 37.78 1smy s TYR 629 CO -0.05 -0.86 0.64 0.50 0.02 0.00 0.00 175.55 175.80 1smy s ARG 630 N -4.85 3.38 0.44 -0.62 6.06 -1.26 -3.97 118.95 118.13 1smy s ARG 630 Ca 0.57 -0.26 -0.22 0.00 -2.50 0.00 0.00 55.73 53.32 1smy s ARG 630 Cb -0.12 -3.92 -0.09 0.00 0.06 0.00 0.00 34.95 30.88 1smy s ARG 630 CO 0.49 -0.94 1.01 -1.54 -2.50 0.00 0.00 175.30 171.82 1smy s SER 631 N 1.96 6.65 0.34 -2.12 1.04 -1.23 -4.91 113.70 115.43 1smy s SER 631 Ca 0.23 1.88 0.15 0.00 0.48 0.00 0.00 55.95 58.68 1smy s SER 631 Cb -0.14 -2.56 1.09 0.00 0.10 0.00 0.00 66.02 64.50 1smy s SER 631 CO 0.18 -0.56 1.67 0.78 0.98 0.00 0.00 173.24 176.28 1smy h ASN 632 N 1.94 0.52 0.03 7.02 2.35 -1.90 0.58 115.58 126.11 1smy h ASN 632 Ca -0.49 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1smy h ASN 632 Cb 1.21 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.71 1smy h ASN 632 CO 0.61 -0.13 -0.09 0.00 -1.65 0.00 0.00 177.43 176.17 1smy n GLN 633 N -5.04 1.63 0.00 0.81 0.00 -1.26 -4.95 117.38 108.57 1smy n GLN 633 Ca 0.32 -1.11 0.00 0.00 0.00 0.00 0.00 57.00 56.21 1smy n GLN 633 Cb 0.98 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.74 1smy n GLN 633 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1smy n GLY 634 N 1.27 1.36 3.75 2.61 0.00 0.20 -5.05 105.19 109.33 1smy n GLY 634 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1smy n GLY 634 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1smy s THR 635 N -2.37 3.45 0.99 2.61 -4.23 -1.26 -3.35 115.64 111.48 1smy s THR 635 Ca 0.00 1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 61.73 1smy s THR 635 Cb 0.00 -3.85 0.19 0.00 1.34 0.00 0.00 72.50 70.18 1smy s THR 635 CO 0.00 0.26 1.09 0.00 -0.54 0.00 0.00 174.62 175.44 1smy s ALA 636 N -0.58 0.85 -0.48 3.99 0.00 -1.23 -3.57 121.76 120.73 1smy s ALA 636 Ca 0.49 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.74 1smy s ALA 636 Cb -0.33 -3.33 0.18 0.00 0.00 0.00 0.00 23.12 19.64 1smy s ALA 636 CO 0.40 -3.03 0.61 -0.51 0.00 0.00 0.00 175.76 173.23 1smy s LEU 637 N -6.73 -0.58 0.18 0.00 1.43 -1.26 -4.89 118.68 106.84 1smy s LEU 637 Ca 0.66 -2.11 0.06 0.00 -1.03 0.00 0.00 54.13 51.71 1smy s LEU 637 Cb -0.22 1.19 -0.04 0.00 0.03 0.00 0.00 46.19 47.14 1smy s LEU 637 CO 0.60 -0.09 0.14 1.51 0.23 0.00 0.00 176.35 178.74 1smy s ASP 638 N 0.66 5.47 -0.49 2.29 -4.77 -1.22 -4.28 116.67 114.33 1smy s ASP 638 Ca 0.30 -0.17 0.00 0.00 -3.30 0.00 0.00 52.55 49.38 1smy s ASP 638 Cb 0.01 -1.40 0.13 0.00 -1.09 0.00 0.00 42.92 40.56 1smy s ASP 638 CO -0.09 0.05 0.26 -1.10 0.70 0.00 0.00 175.17 174.98 1smy s GLN 639 N -3.24 2.07 -0.52 2.11 -0.21 -1.25 -3.52 119.66 115.09 1smy s GLN 639 Ca 0.31 -2.24 -0.28 0.00 0.02 0.00 0.00 55.36 53.17 1smy s GLN 639 Cb -0.10 -3.49 0.03 0.00 1.00 0.00 0.00 33.01 30.45 1smy s GLN 639 CO 0.23 -1.09 1.13 1.03 -2.12 0.00 0.00 175.29 174.48 1smy s ARG 640 N 0.38 3.59 0.43 2.91 0.52 -1.25 -4.72 118.95 120.81 1smy s ARG 640 Ca 0.14 0.34 -0.25 0.00 -0.52 0.00 0.00 55.73 55.44 1smy s ARG 640 Cb -0.22 -3.96 -0.10 0.00 0.52 0.00 0.00 34.95 31.19 1smy s ARG 640 CO -0.04 -1.50 1.16 -2.30 0.02 0.00 0.00 175.30 172.64 1smy n PRO 641 N 8.01 1.64 0.00 3.54 -0.02 -1.26 -2.57 135.00 144.34 1smy n PRO 641 Ca 0.09 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1smy n PRO 641 Cb 0.49 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1smy n PRO 641 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1smy n ARG 642 N -0.01 0.67 -3.95 -0.52 5.12 -0.89 -4.91 116.66 112.18 1smy n ARG 642 Ca 0.08 -0.84 -0.36 0.00 -1.93 0.00 0.00 57.85 54.80 1smy n ARG 642 Cb 0.40 -0.93 -0.08 0.00 -1.16 0.00 0.00 32.46 30.69 1smy n ARG 642 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1smy s VAL 643 N -0.38 5.14 0.78 1.55 1.01 -1.24 -5.06 120.40 122.19 1smy s VAL 643 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 1smy s VAL 643 Cb 0.00 -3.27 0.09 0.00 0.00 0.00 0.00 36.38 33.20 1smy s VAL 643 CO 0.00 0.54 1.12 0.68 0.00 0.00 0.00 175.10 177.45 1smy s VAL 644 N -0.40 2.12 0.08 2.92 -7.23 -1.26 -4.95 120.40 111.68 1smy s VAL 644 Ca 0.11 -0.14 -0.31 0.00 -1.81 0.00 0.00 61.98 59.82 1smy s VAL 644 Cb -0.12 -2.98 -0.08 0.00 0.56 0.00 0.00 36.38 33.76 1smy s VAL 644 CO 0.02 0.00 1.60 -0.69 -0.31 0.00 0.00 175.10 175.71 1smy s VAL 645 N -3.46 3.05 -0.65 1.32 1.01 -1.26 -3.81 120.40 116.59 1smy s VAL 645 Ca 0.63 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 63.15 1smy s VAL 645 Cb -0.10 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1smy s VAL 645 CO 0.47 0.01 0.59 0.61 0.00 0.00 0.00 175.10 176.78 1smy n GLY 646 N 3.88 -0.74 3.10 4.51 0.00 -0.91 -4.97 105.19 110.07 1smy n GLY 646 Ca 0.15 0.31 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 1smy n GLY 646 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1smy s GLN 647 N -3.57 2.61 -0.31 1.61 0.74 -1.25 -4.70 119.66 114.79 1smy s GLN 647 Ca 0.19 -0.70 -0.28 0.00 0.05 0.00 0.00 55.36 54.62 1smy s GLN 647 Cb -0.02 -2.20 -0.03 0.00 1.10 0.00 0.00 33.01 31.86 1smy s GLN 647 CO 0.53 -0.08 1.90 -0.98 -0.55 0.00 0.00 175.29 176.11 1smy s ARG 648 N 1.03 3.25 0.06 1.67 1.70 -1.26 -1.87 118.95 123.53 1smy s ARG 648 Ca -0.04 1.54 -0.13 0.00 -0.47 0.00 0.00 55.73 56.64 1smy s ARG 648 Cb -0.15 -4.25 -0.06 0.00 -0.57 0.00 0.00 34.95 29.93 1smy s ARG 648 CO -0.04 -1.96 0.43 0.14 -1.08 0.00 0.00 175.30 172.79 1smy s VAL 649 N 7.35 5.02 -0.17 4.99 -7.23 0.36 -4.93 120.40 125.80 1smy s VAL 649 Ca 0.84 0.68 -0.19 0.00 -1.81 0.00 0.00 61.98 61.50 1smy s VAL 649 Cb -0.24 -3.69 -0.03 0.00 0.56 0.00 0.00 36.38 32.97 1smy s VAL 649 CO 0.33 0.40 0.56 0.00 -0.31 0.00 0.00 175.10 176.08 1smy s ARG 650 N -1.58 4.25 -0.46 4.82 3.03 -1.26 -2.53 118.95 125.23 1smy s ARG 650 Ca 0.30 0.52 -0.43 0.00 2.03 0.00 0.00 55.73 58.15 1smy s ARG 650 Cb -0.15 -3.53 -0.18 0.00 -1.03 0.00 0.00 34.95 30.07 1smy s ARG 650 CO 0.16 -0.08 2.05 1.17 -1.13 0.00 0.00 175.30 177.47 1smy n LYS 651 N 4.51 0.27 -0.62 3.89 4.81 -1.26 -0.70 118.16 129.06 1smy n LYS 651 Ca -0.04 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1smy n LYS 651 Cb 0.51 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1smy n LYS 651 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1smy n GLY 652 N 6.64 1.44 3.41 3.14 0.00 0.49 -4.95 105.19 115.36 1smy n GLY 652 Ca 0.47 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1smy n GLY 652 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1smy s ASP 653 N -2.32 3.99 -0.07 1.61 -1.08 0.12 -4.58 116.67 114.35 1smy s ASP 653 Ca 0.00 -0.28 -0.40 0.00 -0.52 0.00 0.00 52.55 51.35 1smy s ASP 653 Cb 0.00 -1.30 -0.18 0.00 -1.46 0.00 0.00 42.92 39.98 1smy s ASP 653 CO 0.00 0.24 1.34 0.00 0.52 0.00 0.00 175.17 177.27 1smy n LEU 654 N 3.04 1.15 -0.06 -1.34 -0.00 -1.26 -1.92 117.00 116.61 1smy n LEU 654 Ca -0.18 1.13 -0.06 0.00 -0.00 0.00 0.00 56.01 56.91 1smy n LEU 654 Cb 0.52 -1.06 -0.10 0.00 -0.00 0.00 0.00 43.42 42.78 1smy n LEU 654 CO 0.28 -1.22 -0.91 0.18 -0.00 0.00 0.00 177.39 175.72 1smy n LEU 655 N 2.79 0.00 -3.91 1.47 4.77 0.99 -4.75 117.00 118.35 1smy n LEU 655 Ca 0.22 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 1smy n LEU 655 Cb 0.11 0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 1smy n LEU 655 CO 0.68 0.30 -0.25 0.00 -1.33 0.00 0.00 177.39 176.79 1smy s ALA 656 N -2.37 -0.14 0.47 -1.18 0.00 -1.17 -2.09 121.76 115.29 1smy s ALA 656 Ca -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1smy s ALA 656 Cb 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1smy s ALA 656 CO 0.55 -0.17 0.73 -0.51 0.00 0.00 0.00 175.76 176.35 1smy s ASP 657 N -1.25 5.89 1.07 0.00 1.01 -1.06 -1.11 116.67 121.21 1smy s ASP 657 Ca -0.14 0.49 -0.18 0.00 0.71 0.00 0.00 52.55 53.43 1smy s ASP 657 Cb -0.08 -1.72 0.25 0.00 1.01 0.00 0.00 42.92 42.38 1smy s ASP 657 CO 0.00 -0.72 1.26 0.61 0.21 0.00 0.00 175.17 176.53 1smy n GLY 658 N -2.19 -1.88 0.36 0.21 0.00 -1.24 -3.79 105.19 96.67 1smy n GLY 658 Ca 0.01 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.50 1smy n GLY 658 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1smy h PRO 659 N 0.00 0.59 -1.26 1.61 0.11 -1.75 -3.13 132.00 128.18 1smy h PRO 659 Ca -0.43 -0.04 -0.42 0.00 0.11 0.00 0.00 66.00 65.23 1smy h PRO 659 Cb 1.21 -0.13 -0.40 0.00 0.11 0.00 0.00 31.00 31.78 1smy h PRO 659 CO 0.29 0.39 -1.10 0.00 -0.21 0.00 0.00 178.00 177.37 1smy n ALA 660 N -2.47 3.55 -4.10 -0.75 0.00 -1.26 -4.69 120.51 110.79 1smy n ALA 660 Ca 0.13 -3.42 -0.32 0.00 0.00 0.00 0.00 53.44 49.83 1smy n ALA 660 Cb 0.39 -0.86 -0.16 0.00 0.00 0.00 0.00 19.45 18.81 1smy n ALA 660 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1smy s SER 661 N -3.11 3.24 0.00 0.00 1.04 -1.18 -0.69 113.70 113.00 1smy s SER 661 Ca 0.33 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 1smy s SER 661 Cb 0.43 -1.45 -0.01 0.00 0.10 0.00 0.00 66.02 65.09 1smy s SER 661 CO -0.02 -0.03 1.00 -0.08 0.98 0.00 0.00 173.24 175.09 1smy h GLU 662 N 7.93 -0.08 -1.94 4.02 4.81 -1.69 -3.40 114.58 124.24 1smy h GLU 662 Ca -0.41 0.01 -0.48 0.00 -0.13 0.00 0.00 59.36 58.34 1smy h GLU 662 Cb 1.13 0.02 -0.40 0.00 0.63 0.00 0.00 28.75 30.12 1smy h GLU 662 CO 0.60 -0.05 -1.18 -1.71 -0.73 0.00 0.00 179.01 175.94 1smy n ASN 663 N -2.22 1.00 0.00 1.04 4.05 -1.26 -4.84 115.26 113.03 1smy n ASN 663 Ca -0.01 -3.01 0.00 0.00 0.45 0.00 0.00 54.58 52.01 1smy n ASN 663 Cb 0.03 -0.61 0.00 0.00 1.23 0.00 0.00 39.78 40.43 1smy n ASN 663 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1smy n GLY 664 N 0.24 0.89 3.73 8.20 0.00 -1.26 -5.01 105.19 111.99 1smy n GLY 664 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1smy n GLY 664 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1smy s PHE 665 N -3.56 3.22 0.48 1.61 2.99 -1.26 -4.30 117.98 117.16 1smy s PHE 665 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 56.93 56.90 1smy s PHE 665 Cb 0.00 -1.76 -0.07 0.00 0.00 0.00 0.00 43.02 41.20 1smy s PHE 665 CO 0.00 0.52 1.28 -1.17 -0.00 0.00 0.00 175.22 175.85 1smy s LEU 666 N -1.34 3.99 -0.21 -0.37 2.96 -1.16 -2.03 118.68 120.52 1smy s LEU 666 Ca 0.18 2.59 -0.05 0.00 -0.22 0.00 0.00 54.13 56.64 1smy s LEU 666 Cb -0.12 -4.17 0.11 0.00 0.50 0.00 0.00 46.19 42.51 1smy s LEU 666 CO 0.08 -1.18 0.38 0.00 -1.32 0.00 0.00 176.35 174.31 1smy s ALA 667 N -1.37 -1.07 -0.45 5.97 0.00 0.13 -4.25 121.76 120.72 1smy s ALA 667 Ca 0.65 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.80 1smy s ALA 667 Cb -0.36 -1.47 0.04 0.00 0.00 0.00 0.00 23.12 21.32 1smy s ALA 667 CO 0.44 -1.00 0.66 1.28 0.00 0.00 0.00 175.76 177.14 1smy n LEU 668 N 5.37 1.40 0.00 0.00 4.77 -1.26 -4.45 117.00 122.84 1smy n LEU 668 Ca -0.06 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 1smy n LEU 668 Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1smy n LEU 668 CO 0.03 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1smy n GLY 669 N 0.18 4.02 3.13 -0.72 0.00 -1.25 -4.00 105.19 106.54 1smy n GLY 669 Ca 0.02 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 1smy n GLY 669 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1smy s GLN 670 N 2.49 0.27 0.31 1.61 -0.21 -0.08 -2.83 119.66 121.22 1smy s GLN 670 Ca 0.00 0.61 -0.30 0.00 0.02 0.00 0.00 55.36 55.69 1smy s GLN 670 Cb 0.00 -0.08 -0.11 0.00 1.00 0.00 0.00 33.01 33.82 1smy s GLN 670 CO 0.00 -0.16 1.56 -0.80 -2.12 0.00 0.00 175.29 173.78 1smy s ASN 671 N 1.26 6.38 -0.21 5.90 0.01 -1.26 -3.07 114.94 123.96 1smy s ASN 671 Ca -0.09 2.95 -0.12 0.00 -0.71 0.00 0.00 52.86 54.89 1smy s ASN 671 Cb -0.09 -2.64 0.07 0.00 0.41 0.00 0.00 41.25 38.99 1smy s ASN 671 CO -0.10 -0.89 0.51 0.54 -1.51 0.00 0.00 177.10 175.65 1smy s VAL 672 N -0.22 -0.02 0.35 1.60 0.11 -1.12 -4.97 120.40 116.13 1smy s VAL 672 Ca 0.61 0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.44 1smy s VAL 672 Cb -0.47 -0.75 -0.12 0.00 -1.53 0.00 0.00 36.38 33.51 1smy s VAL 672 CO 0.51 0.02 1.37 -0.11 -3.33 0.00 0.00 175.10 173.56 1smy n LEU 673 N 4.26 3.97 -3.73 2.54 7.94 -1.26 -2.84 117.00 127.87 1smy n LEU 673 Ca -0.22 1.21 -0.13 0.00 -1.11 0.00 0.00 56.01 55.76 1smy n LEU 673 Cb 0.57 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.85 1smy n LEU 673 CO 0.05 -0.24 -0.13 0.54 -1.11 0.00 0.00 177.39 176.49 1smy s VAL 674 N -1.00 -0.04 0.17 1.96 0.11 0.09 -2.63 120.40 119.05 1smy s VAL 674 Ca 0.56 0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 59.61 1smy s VAL 674 Cb -0.54 -0.36 -0.07 0.00 -1.53 0.00 0.00 36.38 33.88 1smy s VAL 674 CO 0.62 0.06 0.57 0.00 -3.33 0.00 0.00 175.10 173.02 1smy s ALA 675 N 1.18 3.55 -0.55 1.54 0.00 0.22 -1.33 121.76 126.37 1smy s ALA 675 Ca -0.09 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 51.82 1smy s ALA 675 Cb -0.10 -2.55 0.29 0.00 0.00 0.00 0.00 23.12 20.76 1smy s ALA 675 CO -0.08 0.45 0.78 1.51 0.00 0.00 0.00 175.76 178.41 1smy n ILE 676 N 0.60 1.83 -4.17 0.00 3.06 -1.19 -1.51 119.36 117.98 1smy n ILE 676 Ca -0.04 -5.08 -0.09 0.00 -2.50 0.00 0.00 62.75 55.04 1smy n ILE 676 Cb 0.52 -1.64 -0.03 0.00 0.54 0.00 0.00 39.64 39.03 1smy n ILE 676 CO 0.00 0.00 0.00 1.15 -2.50 0.00 0.00 176.55 175.20 1smy n MET 677 N 0.52 0.66 -4.04 9.51 0.00 -0.52 -4.56 117.12 118.69 1smy n MET 677 Ca 0.28 -1.30 -0.36 0.00 0.00 0.00 0.00 57.70 56.33 1smy n MET 677 Cb 0.45 0.78 -0.08 0.00 0.00 0.00 0.00 33.22 34.37 1smy n MET 677 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1smy s PRO 678 N -2.57 3.44 0.00 3.17 0.05 -1.26 -2.89 135.00 134.93 1smy s PRO 678 Ca 0.09 -0.26 0.00 0.00 0.05 0.00 0.00 61.00 60.89 1smy s PRO 678 Cb 0.00 -3.09 0.00 0.00 0.05 0.00 0.00 34.50 31.47 1smy s PRO 678 CO 0.07 0.64 0.00 0.34 0.05 0.00 0.00 177.00 178.10 1smy n PHE 679 N 2.39 -0.81 -0.90 0.56 7.35 -1.26 -4.90 117.46 119.90 1smy n PHE 679 Ca -0.19 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.23 1smy n PHE 679 Cb 0.54 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.35 1smy n PHE 679 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1smy n ASP 680 N -0.75 5.63 0.00 -2.13 9.92 -1.26 -4.32 116.55 123.64 1smy n ASP 680 Ca 0.00 -2.40 0.00 0.00 -0.53 0.00 0.00 54.79 51.86 1smy n ASP 680 Cb 0.00 -1.21 0.00 0.00 -0.64 0.00 0.00 41.12 39.27 1smy n ASP 680 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1smy n GLY 681 N 3.77 0.46 0.20 0.44 0.00 -1.26 -4.83 105.19 103.97 1smy n GLY 681 Ca 0.52 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.59 1smy n GLY 681 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1smy h TYR 682 N 0.00 0.00 -1.14 1.61 0.05 -1.98 -2.19 116.97 113.32 1smy h TYR 682 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.13 1smy h TYR 682 Cb 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 36.73 37.40 1smy h TYR 682 CO 0.00 0.31 0.27 0.27 -1.05 0.00 0.00 178.16 177.96 1smy n ASN 683 N -3.95 6.61 0.00 3.88 0.23 -1.26 -4.13 115.26 116.64 1smy n ASN 683 Ca -0.02 -3.78 0.00 0.00 -0.53 0.00 0.00 54.58 50.25 1smy n ASN 683 Cb 0.38 -0.76 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 1smy n ASN 683 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1smy n PHE 684 N -0.76 0.00 0.08 -2.53 7.35 -0.83 -3.54 117.46 117.23 1smy n PHE 684 Ca 0.54 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 57.13 1smy n PHE 684 Cb 0.68 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.51 1smy n PHE 684 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1smy h GLU 685 N 0.00 0.27 0.00 -4.13 4.81 -1.94 -3.38 114.58 110.21 1smy h GLU 685 Ca 0.00 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1smy h GLU 685 Cb 0.00 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 1smy h GLU 685 CO 0.00 0.97 -0.24 -0.25 -0.73 0.00 0.00 179.01 178.76 1smy n ASP 686 N -3.72 -0.19 -4.89 1.04 10.43 -1.26 -4.63 116.55 113.33 1smy n ASP 686 Ca -0.04 -1.50 -0.29 0.00 2.57 0.00 0.00 54.79 55.53 1smy n ASP 686 Cb 0.78 0.03 0.03 0.00 1.84 0.00 0.00 41.12 43.79 1smy n ASP 686 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1smy s ALA 687 N 0.00 3.11 0.01 2.24 0.00 -1.23 -3.02 121.76 122.86 1smy s ALA 687 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1smy s ALA 687 Cb 0.03 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 1smy s ALA 687 CO -0.01 -0.85 -0.02 0.42 0.00 0.00 0.00 175.76 175.29 1smy s ILE 688 N -3.15 0.12 -0.17 0.00 1.01 -0.48 -4.35 121.20 114.18 1smy s ILE 688 Ca 0.55 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 1smy s ILE 688 Cb -0.11 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 1smy s ILE 688 CO 0.50 -0.10 0.02 -0.69 0.00 0.00 0.00 174.94 174.66 1smy s VAL 689 N -0.39 4.42 -0.10 2.92 1.01 -1.23 -0.30 120.40 126.74 1smy s VAL 689 Ca -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1smy s VAL 689 Cb -0.03 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1smy s VAL 689 CO -0.00 0.48 -0.12 -0.63 0.00 0.00 0.00 175.10 174.83 1smy s ILE 690 N 0.28 3.19 -0.31 2.22 -1.09 -0.17 -2.71 121.20 122.63 1smy s ILE 690 Ca 0.01 -0.64 -0.29 0.00 -2.23 0.00 0.00 60.65 57.50 1smy s ILE 690 Cb -0.13 -2.31 -0.00 0.00 -1.58 0.00 0.00 42.46 38.44 1smy s ILE 690 CO 0.01 0.55 1.36 -0.55 -1.23 0.00 0.00 174.94 175.09 1smy s SER 691 N -0.13 6.58 0.55 3.58 0.15 0.11 0.69 113.70 125.23 1smy s SER 691 Ca -0.01 1.20 0.45 0.00 0.70 0.00 0.00 55.95 58.30 1smy s SER 691 Cb -0.13 -2.54 1.66 0.00 -1.71 0.00 0.00 66.02 63.30 1smy s SER 691 CO 0.03 -1.16 1.67 -0.08 1.20 0.00 0.00 173.24 174.90 1smy h GLU 692 N 9.72 0.00 -0.64 5.44 4.81 -0.61 0.83 114.58 134.13 1smy h GLU 692 Ca -0.27 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1smy h GLU 692 Cb 1.11 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1smy h GLU 692 CO 1.04 0.00 0.44 1.49 -0.73 0.00 0.00 179.01 181.25 1smy h GLU 693 N 0.00 0.27 0.00 1.92 4.57 -1.90 0.25 114.58 119.69 1smy h GLU 693 Ca 0.79 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.92 1smy h GLU 693 Cb 3.17 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 31.69 1smy h GLU 693 CO -0.02 0.18 -0.17 -0.07 -1.18 0.00 0.00 179.01 177.75 1smy h LEU 694 N 0.28 0.00 0.00 1.64 3.38 0.40 -1.80 115.31 119.20 1smy h LEU 694 Ca 0.31 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.04 1smy h LEU 694 Cb 0.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1smy h LEU 694 CO -0.07 0.17 -1.39 -0.07 0.09 0.00 0.00 178.44 177.18 1smy h LEU 695 N 0.00 0.00 -0.74 1.67 3.38 -0.66 -3.21 115.31 115.75 1smy h LEU 695 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1smy h LEU 695 Cb 0.45 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 1smy h LEU 695 CO 0.02 0.88 0.37 0.11 0.09 0.00 0.00 178.44 179.91 1smy h LYS 696 N 0.00 0.59 -6.16 1.13 1.57 -0.44 -3.35 116.57 109.92 1smy h LYS 696 Ca -0.17 -0.04 -0.57 0.00 -1.87 0.00 0.00 60.65 58.00 1smy h LYS 696 Cb 1.82 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.95 1smy h LYS 696 CO 0.08 0.39 -0.01 1.03 -0.57 0.00 0.00 179.45 180.37 1smy s ARG 697 N -6.05 4.28 -1.13 3.15 0.52 -1.06 -4.93 118.95 113.73 1smy s ARG 697 Ca -0.12 0.75 -0.08 0.00 -0.52 0.00 0.00 55.73 55.76 1smy s ARG 697 Cb 0.19 -3.30 -0.06 0.00 0.52 0.00 0.00 34.95 32.29 1smy s ARG 697 CO 0.77 0.48 2.36 -0.25 0.02 0.00 0.00 175.30 178.67 1smy n ASP 698 N 2.31 5.97 0.00 0.23 9.92 -1.26 -4.63 116.55 129.09 1smy n ASP 698 Ca -0.08 -2.42 0.00 0.00 -0.53 0.00 0.00 54.79 51.76 1smy n ASP 698 Cb 0.51 -1.25 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1smy n ASP 698 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1smy n PHE 699 N 4.18 0.00 0.71 1.24 3.01 -1.21 -4.08 117.46 121.32 1smy n PHE 699 Ca 0.55 0.00 0.00 0.00 1.01 0.00 0.00 57.45 59.01 1smy n PHE 699 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1smy n PHE 699 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1smy n TYR 700 N -0.22 0.00 -2.93 1.38 4.02 -1.26 -4.09 117.16 114.05 1smy n TYR 700 Ca 0.00 -0.55 -0.39 0.00 -0.01 0.00 0.00 57.90 56.95 1smy n TYR 700 Cb 0.00 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 38.98 1smy n TYR 700 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1smy s THR 701 N 0.07 4.31 -0.05 -0.72 -4.23 -1.26 -3.92 115.64 109.85 1smy s THR 701 Ca 0.00 1.76 0.01 0.00 -1.18 0.00 0.00 61.69 62.28 1smy s THR 701 Cb 0.00 -4.15 0.02 0.00 1.34 0.00 0.00 72.50 69.71 1smy s THR 701 CO 0.00 0.47 -0.06 -0.94 -0.54 0.00 0.00 174.62 173.56 1smy s SER 702 N -1.22 1.11 -0.32 3.99 1.04 0.51 -1.50 113.70 117.31 1smy s SER 702 Ca 0.38 -0.16 -0.29 0.00 0.48 0.00 0.00 55.95 56.37 1smy s SER 702 Cb -0.23 -0.51 0.02 0.00 0.10 0.00 0.00 66.02 65.39 1smy s SER 702 CO 0.27 -0.04 1.11 -0.63 0.98 0.00 0.00 173.24 174.92 1smy s ILE 703 N 0.91 4.45 0.19 -1.02 1.01 -1.26 -1.17 121.20 124.30 1smy s ILE 703 Ca -0.11 1.66 0.11 0.00 0.00 0.00 0.00 60.65 62.31 1smy s ILE 703 Cb -0.14 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 1smy s ILE 703 CO 0.00 -0.51 -0.21 -2.28 0.00 0.00 0.00 174.94 171.95 1smy s HIS 704 N 3.78 2.37 -0.19 3.97 5.65 -1.06 -3.57 115.29 126.23 1smy s HIS 704 Ca 0.47 -0.33 -0.02 0.00 0.25 0.00 0.00 55.06 55.43 1smy s HIS 704 Cb -0.13 -1.17 0.06 0.00 -1.18 0.00 0.00 32.58 30.16 1smy s HIS 704 CO 0.17 0.50 0.02 0.42 -0.65 0.00 0.00 174.74 175.20 1smy s ILE 705 N -1.68 0.70 0.38 0.89 1.01 -1.21 -1.86 121.20 119.42 1smy s ILE 705 Ca 0.22 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 1smy s ILE 705 Cb -0.08 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1smy s ILE 705 CO 0.11 -0.15 0.64 -0.70 0.00 0.00 0.00 174.94 174.83 1smy s GLU 706 N 1.78 3.55 -0.33 2.79 2.56 0.81 -4.80 118.70 125.07 1smy s GLU 706 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.97 54.91 1smy s GLU 706 Cb -0.17 -2.55 0.11 0.00 2.00 0.00 0.00 34.13 33.51 1smy s GLU 706 CO -0.08 0.04 0.12 0.50 -0.56 0.00 0.00 175.26 175.29 1smy s ARG 707 N -4.24 0.79 0.43 4.30 3.52 -1.26 -1.59 118.95 120.90 1smy s ARG 707 Ca 0.44 -1.22 -0.05 0.00 -0.13 0.00 0.00 55.73 54.77 1smy s ARG 707 Cb -0.10 -2.03 -0.04 0.00 -1.56 0.00 0.00 34.95 31.22 1smy s ARG 707 CO 0.37 -1.02 0.72 0.71 -0.81 0.00 0.00 175.30 175.27 1smy s TYR 708 N 1.42 3.53 -0.22 5.12 4.12 -1.09 -4.97 117.35 125.26 1smy s TYR 708 Ca 0.11 0.75 -0.26 0.00 0.02 0.00 0.00 57.07 57.68 1smy s TYR 708 Cb -0.18 -2.23 0.08 0.00 -1.52 0.00 0.00 41.96 38.11 1smy s TYR 708 CO -0.21 -0.13 0.75 -2.00 0.02 0.00 0.00 175.55 173.98 1smy s GLU 709 N -4.40 0.84 0.03 -0.62 2.12 -1.26 -2.05 118.70 113.35 1smy s GLU 709 Ca 0.46 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.57 1smy s GLU 709 Cb -0.10 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.67 1smy s GLU 709 CO 0.40 -0.15 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.43 1smy s ILE 710 N -0.01 0.19 0.10 -3.70 2.07 -0.86 -5.02 121.20 113.98 1smy s ILE 710 Ca -0.02 -1.02 0.10 0.00 -1.41 0.00 0.00 60.65 58.30 1smy s ILE 710 Cb -0.04 -0.44 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 1smy s ILE 710 CO 0.02 -0.53 -0.26 -1.61 -1.91 0.00 0.00 174.94 170.65 1smy s GLU 711 N -1.71 1.50 -0.73 3.50 2.02 -1.26 -0.93 118.70 121.09 1smy s GLU 711 Ca -0.13 -1.26 -0.19 0.00 0.02 0.00 0.00 54.97 53.41 1smy s GLU 711 Cb -0.08 -1.89 0.12 0.00 0.10 0.00 0.00 34.13 32.38 1smy s GLU 711 CO -0.02 0.46 0.88 0.00 0.02 0.00 0.00 175.26 176.61 1smy s ALA 712 N -0.98 3.43 0.25 5.21 0.00 -0.20 -5.03 121.76 124.45 1smy s ALA 712 Ca 0.13 -2.46 -0.21 0.00 0.00 0.00 0.00 51.96 49.41 1smy s ALA 712 Cb -0.10 -3.74 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 1smy s ALA 712 CO 0.05 -2.60 0.78 1.03 0.00 0.00 0.00 175.76 175.02 1smy s ARG 713 N 2.61 4.35 -0.72 0.00 0.52 -1.26 -1.53 118.95 122.91 1smy s ARG 713 Ca 0.20 1.00 -0.21 0.00 -0.52 0.00 0.00 55.73 56.20 1smy s ARG 713 Cb -0.15 -2.86 0.09 0.00 0.52 0.00 0.00 34.95 32.55 1smy s ARG 713 CO 0.00 0.37 0.97 0.34 0.02 0.00 0.00 175.30 177.00 1smy s ASP 714 N -1.63 6.30 0.09 0.23 2.15 -0.93 -1.71 116.67 121.16 1smy s ASP 714 Ca 0.45 -1.34 -0.02 0.00 0.43 0.00 0.00 52.55 52.06 1smy s ASP 714 Cb -0.17 -2.40 -0.05 0.00 -0.30 0.00 0.00 42.92 40.00 1smy s ASP 714 CO 0.22 -1.29 0.28 0.42 -0.17 0.00 0.00 175.17 174.62 1smy s THR 715 N 3.50 5.30 -2.00 1.71 -4.23 -1.26 -4.97 115.64 113.69 1smy s THR 715 Ca 0.24 -0.19 0.20 0.00 -1.18 0.00 0.00 61.69 60.76 1smy s THR 715 Cb -0.15 -3.62 0.57 0.00 1.34 0.00 0.00 72.50 70.64 1smy s THR 715 CO 0.04 0.12 1.58 0.29 -0.54 0.00 0.00 174.62 176.11 1smy n LYS 716 N 0.27 0.63 0.00 3.99 4.76 -1.26 -1.26 118.16 125.30 1smy n LYS 716 Ca -0.04 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.50 1smy n LYS 716 Cb 0.51 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.20 1smy n LYS 716 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1smy n LEU 717 N -0.99 1.60 0.00 -0.35 4.77 -1.26 -5.02 117.00 115.75 1smy n LEU 717 Ca 0.15 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1smy n LEU 717 Cb 0.07 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1smy n LEU 717 CO 0.11 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1smy n GLY 718 N 1.44 4.10 3.58 -0.72 0.00 -0.39 -4.79 105.19 108.41 1smy n GLY 718 Ca 0.08 -0.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.75 1smy n GLY 718 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1smy n PRO 719 N 0.00 1.27 -2.31 1.61 -0.02 -1.25 -4.18 135.00 130.11 1smy n PRO 719 Ca 0.00 0.45 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 1smy n PRO 719 Cb 0.00 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 1smy n PRO 719 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1smy s GLU 720 N -1.31 3.91 0.13 -0.52 2.02 -0.70 -4.82 118.70 117.40 1smy s GLU 720 Ca 0.61 1.43 -0.24 0.00 0.02 0.00 0.00 54.97 56.79 1smy s GLU 720 Cb -0.74 -3.92 -0.07 0.00 0.10 0.00 0.00 34.13 29.50 1smy s GLU 720 CO 0.58 -1.14 0.73 1.03 0.02 0.00 0.00 175.26 176.48 1smy s ARG 721 N 4.28 4.48 -1.08 1.61 0.52 -0.34 -4.54 118.95 123.87 1smy s ARG 721 Ca 0.61 1.05 -0.06 0.00 -0.52 0.00 0.00 55.73 56.82 1smy s ARG 721 Cb -0.20 -3.27 0.29 0.00 0.52 0.00 0.00 34.95 32.29 1smy s ARG 721 CO 0.25 0.54 1.31 1.51 0.02 0.00 0.00 175.30 178.93 1smy n ILE 722 N 1.81 4.92 -4.35 1.52 3.06 -1.26 -0.84 119.36 124.21 1smy n ILE 722 Ca -0.06 -5.69 -0.25 0.00 -2.50 0.00 0.00 62.75 54.24 1smy n ILE 722 Cb 0.49 -2.28 -0.09 0.00 0.54 0.00 0.00 39.64 38.30 1smy n ILE 722 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1smy s THR 723 N -2.19 3.00 -0.95 9.51 -1.32 -1.25 -4.67 115.64 117.76 1smy s THR 723 Ca 0.31 -1.97 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 1smy s THR 723 Cb -0.01 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 1smy s THR 723 CO 0.03 -0.27 0.36 -1.14 -2.21 0.00 0.00 174.62 171.39 1smy n ARG 724 N -0.40 0.69 -3.61 7.08 0.63 -1.26 -4.45 116.66 115.35 1smy n ARG 724 Ca -0.08 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.45 1smy n ARG 724 Cb 0.58 -1.34 -0.11 0.00 0.45 0.00 0.00 32.46 32.04 1smy n ARG 724 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1smy s ASP 725 N -0.24 5.67 -0.84 6.15 -0.00 -1.26 -4.81 116.67 121.34 1smy s ASP 725 Ca 0.00 -1.25 -0.04 0.00 -0.00 0.00 0.00 52.55 51.27 1smy s ASP 725 Cb 0.00 -2.00 0.21 0.00 -0.00 0.00 0.00 42.92 41.13 1smy s ASP 725 CO 0.00 -0.46 0.73 -0.63 -0.00 0.00 0.00 175.17 174.81 1smy s ILE 726 N 1.49 4.47 0.00 0.77 1.01 -1.26 -4.81 121.20 122.87 1smy s ILE 726 Ca 0.02 -3.47 0.00 0.00 0.00 0.00 0.00 60.65 57.20 1smy s ILE 726 Cb -0.21 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1smy s ILE 726 CO 0.04 -1.04 0.00 -2.65 0.00 0.00 0.00 174.94 171.29 1smy n PRO 727 N 2.80 0.00 -0.08 2.79 -0.02 -1.26 -3.73 135.00 135.50 1smy n PRO 727 Ca 0.18 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.46 1smy n PRO 727 Cb 0.38 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.74 1smy n PRO 727 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1smy n HIS 728 N -3.15 0.53 0.01 6.00 -0.00 -1.26 -5.00 115.22 112.35 1smy n HIS 728 Ca 0.00 0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.30 1smy n HIS 728 Cb 0.00 -1.07 0.00 0.00 -0.12 0.00 0.00 29.99 28.80 1smy n HIS 728 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1smy n LEU 729 N -3.42 -0.01 -4.17 0.27 7.99 -1.24 -5.15 117.00 111.27 1smy n LEU 729 Ca -0.40 0.04 -0.12 0.00 -0.01 0.00 0.00 56.01 55.51 1smy n LEU 729 Cb 1.00 0.03 -0.10 0.00 -0.11 0.00 0.00 43.42 44.24 1smy n LEU 729 CO 0.32 -0.49 -0.40 -0.94 -1.51 0.00 0.00 177.39 174.37 1smy s SER 730 N -5.01 1.31 0.00 -1.43 1.04 -1.26 -4.98 113.70 103.37 1smy s SER 730 Ca 0.00 -0.91 0.11 0.00 0.48 0.00 0.00 55.95 55.64 1smy s SER 730 Cb 0.00 0.05 -0.22 0.00 0.10 0.00 0.00 66.02 65.95 1smy s SER 730 CO 0.00 -0.36 0.83 -0.33 0.98 0.00 0.00 173.24 174.36 1smy h GLU 731 N 3.26 0.00 -0.88 4.02 4.39 -1.98 -3.31 114.58 120.07 1smy h GLU 731 Ca -0.36 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.43 1smy h GLU 731 Cb 1.18 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.76 1smy h GLU 731 CO 0.59 0.62 0.54 0.00 -1.16 0.00 0.00 179.01 179.59 1smy h ALA 732 N 1.01 1.26 -0.00 3.43 0.00 -2.01 0.24 119.26 123.18 1smy h ALA 732 Ca -0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1smy h ALA 732 Cb 1.94 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1smy h ALA 732 CO 0.09 0.21 -0.01 0.00 0.00 0.00 0.00 179.25 179.54 1smy n ALA 733 N -2.36 2.54 0.02 0.00 0.00 -1.25 -3.34 120.51 116.12 1smy n ALA 733 Ca 0.14 -0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.48 1smy n ALA 733 Cb 0.25 -1.49 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 1smy n ALA 733 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1smy n LEU 734 N -1.21 0.40 0.00 0.00 7.99 0.76 -4.61 117.00 120.34 1smy n LEU 734 Ca 0.16 0.16 0.00 0.00 -0.01 0.00 0.00 56.01 56.33 1smy n LEU 734 Cb 0.22 0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 1smy n LEU 734 CO 0.22 0.04 0.05 0.54 -1.51 0.00 0.00 177.39 176.73 1smy n ARG 735 N -2.56 0.00 0.26 3.23 1.74 -0.79 -0.04 116.66 118.50 1smy n ARG 735 Ca -0.08 0.10 0.09 0.00 -0.77 0.00 0.00 57.85 57.20 1smy n ARG 735 Cb 0.69 -0.33 0.46 0.00 -1.02 0.00 0.00 32.46 32.26 1smy n ARG 735 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1smy h ASP 736 N 0.00 0.00 0.00 0.55 5.19 -1.85 0.45 116.42 120.76 1smy h ASP 736 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1smy h ASP 736 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1smy h ASP 736 CO 0.00 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.30 1smy n LEU 737 N -2.43 0.00 0.00 1.55 4.32 0.94 0.50 117.00 121.88 1smy n LEU 737 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1smy n LEU 737 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1smy n LEU 737 CO 0.07 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 176.71 1smy n ASP 738 N -0.94 0.00 -4.52 -1.43 8.00 0.16 -3.49 116.55 114.33 1smy n ASP 738 Ca 0.15 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.29 1smy n ASP 738 Cb 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 1smy n ASP 738 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1smy n GLU 739 N -0.04 0.46 0.00 -1.24 4.71 -1.25 -4.39 120.64 118.89 1smy n GLU 739 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 1smy n GLU 739 Cb 0.00 -2.41 0.00 0.00 -1.01 0.00 0.00 31.44 28.02 1smy n GLU 739 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1smy n GLU 740 N 8.49 0.00 0.00 3.49 0.28 -1.24 -0.93 120.64 130.72 1smy n GLU 740 Ca 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 1smy n GLU 740 Cb 0.28 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.15 1smy n GLU 740 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1smy n GLY 741 N 0.00 2.25 3.35 -1.84 0.00 -1.23 -4.25 105.19 103.46 1smy n GLY 741 Ca 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1smy n GLY 741 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1smy n VAL 742 N 0.00 0.00 -3.55 1.61 0.31 -0.11 -3.82 118.33 112.78 1smy n VAL 742 Ca 0.00 -0.23 -0.38 0.00 -0.01 0.00 0.00 64.34 63.72 1smy n VAL 742 Cb 0.00 -0.57 -0.06 0.00 -0.91 0.00 0.00 33.84 32.30 1smy n VAL 742 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1smy s VAL 743 N -2.32 5.14 0.59 2.52 0.11 -1.20 -3.87 120.40 121.36 1smy s VAL 743 Ca 0.55 0.72 -0.19 0.00 -2.93 0.00 0.00 61.98 60.13 1smy s VAL 743 Cb -0.18 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 1smy s VAL 743 CO 0.68 0.54 1.25 0.00 -3.33 0.00 0.00 175.10 174.24 1smy s ARG 744 N -0.75 2.97 0.67 1.54 1.70 0.18 -4.92 118.95 120.34 1smy s ARG 744 Ca 0.22 1.93 -0.15 0.00 -0.47 0.00 0.00 55.73 57.26 1smy s ARG 744 Cb -0.15 -1.99 0.01 0.00 -0.57 0.00 0.00 34.95 32.24 1smy s ARG 744 CO 0.11 -1.24 1.13 0.42 -1.08 0.00 0.00 175.30 174.64 1smy s ILE 745 N -1.50 3.05 -1.53 4.99 -1.09 -1.26 -3.38 121.20 120.47 1smy s ILE 745 Ca 0.77 0.49 -0.04 0.00 -2.23 0.00 0.00 60.65 59.64 1smy s ILE 745 Cb -0.33 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 1smy s ILE 745 CO 0.37 -0.29 0.47 0.61 -1.23 0.00 0.00 174.94 174.87 1smy n GLY 746 N -0.32 -0.46 3.47 6.18 0.00 -0.88 -4.96 105.19 108.21 1smy n GLY 746 Ca 0.11 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1smy n GLY 746 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy s ALA 747 N -3.12 2.96 -0.44 4.61 0.00 -1.22 -4.89 121.76 119.66 1smy s ALA 747 Ca 0.24 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 1smy s ALA 747 Cb -0.10 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.47 1smy s ALA 747 CO 0.29 0.12 1.16 -2.00 0.00 0.00 0.00 175.76 175.33 1smy s GLU 748 N 0.53 3.77 -0.40 0.00 2.12 -1.26 -2.40 118.70 121.06 1smy s GLU 748 Ca -0.03 0.71 -0.11 0.00 0.36 0.00 0.00 54.97 55.89 1smy s GLU 748 Cb -0.14 -3.89 0.04 0.00 0.26 0.00 0.00 34.13 30.40 1smy s GLU 748 CO 0.03 -1.31 0.25 0.14 -0.54 0.00 0.00 175.26 173.82 1smy s VAL 749 N 4.41 4.63 0.55 3.70 -7.23 -0.32 -5.02 120.40 121.13 1smy s VAL 749 Ca 0.49 -0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 59.63 1smy s VAL 749 Cb -0.09 -3.66 -0.00 0.00 0.56 0.00 0.00 36.38 33.19 1smy s VAL 749 CO 0.29 -0.34 0.85 -0.54 -0.31 0.00 0.00 175.10 175.05 1smy s LYS 750 N 1.55 3.04 0.10 4.82 3.01 -1.26 -3.77 119.74 127.22 1smy s LYS 750 Ca 0.03 -0.05 -0.35 0.00 -1.01 0.00 0.00 55.97 54.58 1smy s LYS 750 Cb -0.21 -2.33 -0.15 0.00 -1.01 0.00 0.00 37.83 34.13 1smy s LYS 750 CO 0.06 -0.55 1.50 -2.30 0.51 0.00 0.00 175.35 174.57 1smy n PRO 751 N -2.45 1.68 0.00 -1.68 -0.02 -1.26 -1.76 135.00 129.51 1smy n PRO 751 Ca 0.03 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1smy n PRO 751 Cb 0.57 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1smy n PRO 751 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 752 N 3.12 3.06 3.52 -1.23 0.00 -0.87 -5.01 105.19 107.78 1smy n GLY 752 Ca 0.18 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1smy n GLY 752 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smy n ASP 753 N 0.57 -1.10 -4.73 1.61 8.00 -0.72 -4.48 116.55 115.69 1smy n ASP 753 Ca 0.00 0.38 -0.40 0.00 0.71 0.00 0.00 54.79 55.48 1smy n ASP 753 Cb 0.00 -1.31 -0.05 0.00 -0.02 0.00 0.00 41.12 39.74 1smy n ASP 753 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1smy s ILE 754 N -2.46 4.89 -0.22 0.53 -1.09 -1.26 -1.68 121.20 119.91 1smy s ILE 754 Ca 0.61 1.52 0.08 0.00 -2.23 0.00 0.00 60.65 60.62 1smy s ILE 754 Cb -0.22 -4.07 -0.19 0.00 -1.58 0.00 0.00 42.46 36.40 1smy s ILE 754 CO 0.63 0.32 -0.11 0.18 -1.23 0.00 0.00 174.94 174.73 1smy n LEU 755 N 3.24 1.83 -3.66 2.97 4.77 -0.45 -4.80 117.00 120.89 1smy n LEU 755 Ca -0.02 -0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.78 1smy n LEU 755 Cb 0.51 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 1smy n LEU 755 CO 0.47 0.74 0.24 -0.69 -1.33 0.00 0.00 177.39 176.81 1smy s VAL 756 N -2.48 -0.01 0.27 4.08 1.01 -0.83 -3.26 120.40 119.18 1smy s VAL 756 Ca -0.24 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1smy s VAL 756 Cb 0.07 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 1smy s VAL 756 CO 0.64 0.01 0.80 -0.83 0.00 0.00 0.00 175.10 175.73 1smy s GLY 757 N 1.30 2.65 -0.13 4.51 0.00 -1.25 -0.91 107.32 113.50 1smy s GLY 757 Ca -0.08 0.27 -0.09 0.00 0.00 0.00 0.00 44.72 44.82 1smy s GLY 757 CO -0.14 0.65 0.32 -1.60 0.00 0.00 0.00 173.10 172.33 1smy s ARG 758 N -2.10 0.33 -0.25 2.90 3.52 -1.26 -3.97 118.95 118.13 1smy s ARG 758 Ca 0.46 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 56.61 1smy s ARG 758 Cb -0.17 0.06 0.07 0.00 -1.56 0.00 0.00 34.95 33.35 1smy s ARG 758 CO 0.21 -0.10 -0.04 0.95 -0.81 0.00 0.00 175.30 175.52 1smy s THR 759 N 0.70 1.59 0.28 4.11 -4.23 -0.02 -1.92 115.64 116.15 1smy s THR 759 Ca -0.04 -1.37 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 1smy s THR 759 Cb -0.06 -1.90 0.05 0.00 1.34 0.00 0.00 72.50 71.93 1smy s THR 759 CO -0.05 -0.19 0.37 -1.54 -0.54 0.00 0.00 174.62 172.68 1smy n SER 760 N 4.63 1.08 -4.54 3.99 3.41 0.88 -1.20 113.62 121.86 1smy n SER 760 Ca -0.10 -1.76 -0.34 0.00 -0.26 0.00 0.00 58.87 56.42 1smy n SER 760 Cb 0.44 -0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 1smy n SER 760 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1smy s PHE 761 N -0.78 3.09 0.00 7.33 0.40 -1.26 0.18 117.98 126.95 1smy s PHE 761 Ca 0.28 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 1smy s PHE 761 Cb -0.02 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.52 1smy s PHE 761 CO 0.18 0.04 0.00 1.17 0.70 0.00 0.00 175.22 177.31 1smy n LYS 762 N 3.48 0.00 -0.29 0.44 4.81 -1.26 -4.65 118.16 120.69 1smy n LYS 762 Ca -0.17 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.00 1smy n LYS 762 Cb 0.52 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.83 1smy n LYS 762 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1smy n GLY 763 N 0.00 -3.47 0.17 3.14 0.00 -1.26 -4.91 105.19 98.86 1smy n GLY 763 Ca 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 1smy n GLY 763 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1smy h GLU 764 N 0.00 0.52 0.00 1.61 4.39 -1.94 -3.44 114.58 115.72 1smy h GLU 764 Ca -0.35 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 58.77 1smy h GLU 764 Cb 1.17 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1smy h GLU 764 CO 0.21 1.21 0.00 0.43 -1.16 0.00 0.00 179.01 179.70 1smy n SER 765 N -3.77 0.00 -4.44 1.42 7.64 -1.26 -4.94 113.62 108.27 1smy n SER 765 Ca -0.09 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.55 1smy n SER 765 Cb 0.88 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.97 1smy n SER 765 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1smy s GLU 766 N -0.50 1.58 0.00 1.43 -1.05 -1.26 -5.15 118.70 113.75 1smy s GLU 766 Ca 0.00 -1.67 0.00 0.00 -0.15 0.00 0.00 54.97 53.15 1smy s GLU 766 Cb 0.00 -1.70 0.00 0.00 -0.44 0.00 0.00 34.13 31.99 1smy s GLU 766 CO 0.00 0.33 0.00 -2.30 0.95 0.00 0.00 175.26 174.24 1smy n PRO 767 N -0.32 2.64 -3.64 -4.83 -0.02 -1.26 -4.36 135.00 123.21 1smy n PRO 767 Ca -0.08 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.20 1smy n PRO 767 Cb 0.59 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.90 1smy n PRO 767 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1smy s THR 768 N 0.00 -0.17 0.30 3.45 2.01 -1.26 -4.90 115.64 115.07 1smy s THR 768 Ca 0.00 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1smy s THR 768 Cb 0.00 -0.33 0.28 0.00 0.01 0.00 0.00 72.50 72.47 1smy s THR 768 CO 0.00 0.04 1.90 -0.65 -0.69 0.00 0.00 174.62 175.23 1smy h PRO 769 N 8.40 0.99 0.06 4.92 0.11 -1.99 0.16 132.00 144.65 1smy h PRO 769 Ca -0.13 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1smy h PRO 769 Cb 1.13 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1smy h PRO 769 CO 0.19 0.66 -0.03 0.93 -0.21 0.00 0.00 178.00 179.53 1smy h GLU 770 N 1.02 -0.08 0.00 1.05 4.39 -2.02 -3.01 114.58 115.94 1smy h GLU 770 Ca 0.40 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1smy h GLU 770 Cb 0.25 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1smy h GLU 770 CO -0.16 0.32 0.00 1.49 -1.16 0.00 0.00 179.01 179.50 1smy h GLU 771 N -0.50 0.00 0.02 2.33 4.81 -1.94 -2.90 114.58 116.39 1smy h GLU 771 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1smy h GLU 771 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1smy h GLU 771 CO 0.01 0.00 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.20 1smy h ARG 772 N 0.00 -0.02 -0.59 1.92 9.65 -0.55 -2.27 114.38 122.52 1smy h ARG 772 Ca 0.00 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1smy h ARG 772 Cb 0.30 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 1smy h ARG 772 CO 0.00 0.37 0.39 1.25 2.80 0.00 0.00 179.97 184.78 1smy h LEU 773 N -0.41 0.68 0.06 3.80 5.85 -1.46 -2.51 115.31 121.31 1smy h LEU 773 Ca -0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1smy h LEU 773 Cb 0.40 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1smy h LEU 773 CO 0.00 0.50 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.30 1smy h LEU 774 N 0.81 -0.66 0.05 2.25 -0.00 -1.52 -1.36 115.31 114.87 1smy h LEU 774 Ca 0.22 0.08 0.02 0.00 -0.00 0.00 0.00 57.88 58.20 1smy h LEU 774 Cb -0.09 0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 1smy h LEU 774 CO -0.05 -0.31 -0.17 0.03 -0.00 0.00 0.00 178.44 177.94 1smy h ARG 775 N -0.39 -0.30 -0.59 1.13 2.47 -1.28 -2.66 114.38 112.76 1smy h ARG 775 Ca 0.04 0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.90 1smy h ARG 775 Cb 0.44 0.07 -0.11 0.00 -1.65 0.00 0.00 29.97 28.72 1smy h ARG 775 CO -0.17 -0.20 -0.19 0.77 0.56 0.00 0.00 179.97 180.74 1smy h SER 776 N -0.31 -0.69 -0.20 7.04 0.02 -1.25 0.64 113.55 118.80 1smy h SER 776 Ca 0.04 0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1smy h SER 776 Cb 0.35 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 1smy h SER 776 CO -0.13 -0.23 -0.12 -0.38 -1.14 0.00 0.00 176.83 174.83 1smy n ILE 777 N -5.43 -0.14 -0.01 3.27 5.41 -0.53 -3.20 119.36 118.73 1smy n ILE 777 Ca 0.06 1.67 -0.10 0.00 1.00 0.00 0.00 62.75 65.38 1smy n ILE 777 Cb 0.33 -2.18 -0.14 0.00 -0.71 0.00 0.00 39.64 36.94 1smy n ILE 777 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1smy h PHE 778 N 0.00 0.08 -0.01 1.39 -1.00 -1.50 -3.46 116.94 112.44 1smy h PHE 778 Ca 0.03 -0.06 0.11 0.00 2.81 0.00 0.00 57.97 60.87 1smy h PHE 778 Cb 0.08 -0.00 -0.16 0.00 3.61 0.00 0.00 35.95 39.48 1smy h PHE 778 CO -0.95 1.11 -0.03 0.20 -1.61 0.00 0.00 178.31 177.03 1smy s GLY 779 N -5.15 -1.86 0.17 -1.45 0.00 0.19 -5.04 107.32 94.18 1smy s GLY 779 Ca -0.07 1.18 -0.23 0.00 0.00 0.00 0.00 44.72 45.60 1smy s GLY 779 CO 0.82 4.47 1.58 1.05 0.00 0.00 0.00 173.10 181.02 1smy h GLU 780 N 4.49 -0.21 -6.06 2.90 4.11 -0.51 -3.37 114.58 115.93 1smy h GLU 780 Ca -0.04 0.01 -0.58 0.00 0.07 0.00 0.00 59.36 58.83 1smy h GLU 780 Cb 1.21 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1smy h GLU 780 CO -0.13 -0.14 1.44 0.15 0.07 0.00 0.00 179.01 180.40 1smy s LYS 781 N -5.94 3.33 -0.04 1.06 1.02 -1.26 -4.62 119.74 113.28 1smy s LYS 781 Ca -0.14 2.13 -0.29 0.00 0.02 0.00 0.00 55.97 57.68 1smy s LYS 781 Cb 0.14 -4.33 0.09 0.00 -0.52 0.00 0.00 37.83 33.21 1smy s LYS 781 CO 0.68 -1.88 0.76 0.00 -0.92 0.00 0.00 175.35 173.98 1smy s ALA 782 N 7.55 -1.79 -0.50 5.17 0.00 -1.26 -5.10 121.76 125.84 1smy s ALA 782 Ca 0.98 1.24 -0.27 0.00 0.00 0.00 0.00 51.96 53.91 1smy s ALA 782 Cb -0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1smy s ALA 782 CO 0.36 -0.44 2.01 1.03 0.00 0.00 0.00 175.76 178.72 1smy s ARG 783 N -1.68 2.68 -1.52 0.00 0.52 -1.26 -4.86 118.95 112.82 1smy s ARG 783 Ca -0.06 1.08 -0.11 0.00 -0.52 0.00 0.00 55.73 56.12 1smy s ARG 783 Cb -0.00 -4.40 -0.01 0.00 0.52 0.00 0.00 34.95 31.06 1smy s ARG 783 CO 0.03 -2.64 2.58 -0.25 0.02 0.00 0.00 175.30 175.04 1smy n ASP 784 N 12.95 6.60 -4.19 0.23 10.43 -1.26 -4.86 116.55 136.46 1smy n ASP 784 Ca 0.26 -2.74 -0.11 0.00 2.57 0.00 0.00 54.79 54.76 1smy n ASP 784 Cb 0.51 -1.58 -0.10 0.00 1.84 0.00 0.00 41.12 41.79 1smy n ASP 784 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1smy s VAL 785 N 2.26 0.80 0.12 2.53 1.01 -1.26 -4.22 120.40 121.64 1smy s VAL 785 Ca 0.58 -1.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.59 1smy s VAL 785 Cb 0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1smy s VAL 785 CO -0.07 -0.84 0.29 -0.75 0.00 0.00 0.00 175.10 173.73 1smy s LYS 786 N -3.82 3.49 -0.60 2.72 2.20 0.49 -4.62 119.74 119.61 1smy s LYS 786 Ca 0.13 -0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 55.21 1smy s LYS 786 Cb 0.05 -2.95 0.15 0.00 -1.51 0.00 0.00 37.83 33.57 1smy s LYS 786 CO -0.03 0.52 0.54 0.34 -0.36 0.00 0.00 175.35 176.36 1smy s ASP 787 N -2.77 6.22 -0.56 1.43 2.15 -1.26 -0.08 116.67 121.78 1smy s ASP 787 Ca 0.37 -2.05 0.04 0.00 0.43 0.00 0.00 52.55 51.34 1smy s ASP 787 Cb -0.12 -2.17 0.37 0.00 -0.30 0.00 0.00 42.92 40.70 1smy s ASP 787 CO 0.28 -0.75 1.10 0.35 -0.17 0.00 0.00 175.17 175.98 1smy n THR 788 N 4.85 3.00 -3.13 1.71 -2.24 -0.81 -4.99 114.28 112.67 1smy n THR 788 Ca -0.06 -5.31 -0.36 0.00 -2.27 0.00 0.00 64.05 56.05 1smy n THR 788 Cb 0.42 -1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 67.23 1smy n THR 788 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1smy s SER 789 N -3.29 7.06 -0.35 3.42 0.01 -1.23 -4.51 113.70 114.82 1smy s SER 789 Ca 0.48 1.39 -0.28 0.00 1.31 0.00 0.00 55.95 58.85 1smy s SER 789 Cb 0.33 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 1smy s SER 789 CO -0.17 0.07 1.91 -0.22 0.41 0.00 0.00 173.24 175.24 1smy s LEU 790 N -1.86 3.47 0.16 2.44 2.96 -0.09 -4.89 118.68 120.87 1smy s LEU 790 Ca 0.41 1.30 0.05 0.00 -0.22 0.00 0.00 54.13 55.67 1smy s LEU 790 Cb -0.17 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1smy s LEU 790 CO 0.21 -1.89 0.13 -0.13 -1.32 0.00 0.00 176.35 173.35 1smy s ARG 791 N 6.06 2.87 -0.26 1.98 0.52 -1.26 -1.34 118.95 127.52 1smy s ARG 791 Ca 0.83 -0.87 -0.28 0.00 -0.52 0.00 0.00 55.73 54.90 1smy s ARG 791 Cb -0.23 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 1smy s ARG 791 CO 0.32 0.49 2.24 0.08 0.02 0.00 0.00 175.30 178.45 1smy s VAL 792 N -1.72 3.02 0.72 3.52 1.01 -0.68 -4.87 120.40 121.40 1smy s VAL 792 Ca 0.31 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 1smy s VAL 792 Cb -0.10 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1smy s VAL 792 CO 0.23 -0.02 0.80 -2.65 0.00 0.00 0.00 175.10 173.46 1smy n PRO 793 N 8.80 0.41 -0.59 2.72 -0.02 -1.26 -2.06 135.00 143.00 1smy n PRO 793 Ca 0.31 0.19 -0.30 0.00 -2.02 0.00 0.00 63.50 61.67 1smy n PRO 793 Cb 0.46 -2.07 0.21 0.00 -0.02 0.00 0.00 33.50 32.09 1smy n PRO 793 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1smy n PRO 794 N -1.45 -1.85 0.00 0.52 -0.02 -1.26 -4.05 135.00 126.89 1smy n PRO 794 Ca 0.12 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 1smy n PRO 794 Cb 0.50 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1smy n PRO 794 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 795 N 1.39 0.97 3.52 -1.23 0.00 -1.26 -4.98 105.19 103.59 1smy n GLY 795 Ca 0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 1smy n GLY 795 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1smy s GLU 796 N 0.00 1.38 -0.02 1.61 0.41 -1.26 -4.76 118.70 116.06 1smy s GLU 796 Ca 0.00 -0.83 -0.11 0.00 -0.41 0.00 0.00 54.97 53.62 1smy s GLU 796 Cb 0.00 0.53 0.01 0.00 -1.78 0.00 0.00 34.13 32.89 1smy s GLU 796 CO 0.00 -0.59 0.23 0.20 -0.49 0.00 0.00 175.26 174.61 1smy s GLY 797 N -2.86 -0.07 0.00 -1.39 0.00 -1.25 -4.82 107.32 96.93 1smy s GLY 797 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1smy s GLY 797 CO -0.04 0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.70 1smy n GLY 798 N 1.62 1.23 3.26 0.20 0.00 -1.25 -4.61 105.19 105.64 1smy n GLY 798 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1smy n GLY 798 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1smy s ILE 799 N 3.90 2.83 0.51 -0.61 -0.00 0.54 -1.18 121.20 127.20 1smy s ILE 799 Ca 0.00 -0.69 -0.21 0.00 -0.00 0.00 0.00 60.65 59.75 1smy s ILE 799 Cb 0.00 -2.23 -0.09 0.00 -0.00 0.00 0.00 42.46 40.14 1smy s ILE 799 CO 0.00 0.49 0.83 0.52 -0.00 0.00 0.00 174.94 176.78 1smy n VAL 800 N 4.39 2.70 -0.33 8.37 0.31 -1.01 -2.82 118.33 129.93 1smy n VAL 800 Ca -0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1smy n VAL 800 Cb 0.51 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1smy n VAL 800 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1smy n VAL 801 N -1.17 0.00 -3.62 2.52 0.24 -0.82 -2.08 118.33 113.39 1smy n VAL 801 Ca 0.11 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.34 62.33 1smy n VAL 801 Cb 0.43 1.33 -0.04 0.00 -1.47 0.00 0.00 33.84 34.10 1smy n VAL 801 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1smy s ARG 802 N -0.05 0.22 0.04 7.34 3.52 -1.23 -4.96 118.95 123.83 1smy s ARG 802 Ca 0.00 0.04 -0.08 0.00 -0.13 0.00 0.00 55.73 55.55 1smy s ARG 802 Cb 0.00 0.10 -0.00 0.00 -1.56 0.00 0.00 34.95 33.49 1smy s ARG 802 CO 0.00 -0.07 0.17 0.95 -0.81 0.00 0.00 175.30 175.54 1smy s THR 803 N -1.16 0.12 -0.03 4.11 -4.23 -1.26 -0.63 115.64 112.55 1smy s THR 803 Ca 0.06 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1smy s THR 803 Cb -0.01 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.88 1smy s THR 803 CO -0.05 -0.54 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.77 1smy s VAL 804 N -2.74 0.36 -0.13 2.29 1.01 0.56 -4.98 120.40 116.77 1smy s VAL 804 Ca -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1smy s VAL 804 Cb -0.00 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1smy s VAL 804 CO -0.05 0.16 -0.13 -0.60 0.00 0.00 0.00 175.10 174.47 1smy s ARG 805 N 0.61 2.16 -0.74 2.72 3.52 -1.26 -0.69 118.95 125.27 1smy s ARG 805 Ca -0.07 -0.51 0.04 0.00 -0.13 0.00 0.00 55.73 55.06 1smy s ARG 805 Cb -0.10 -1.96 0.18 0.00 -1.56 0.00 0.00 34.95 31.51 1smy s ARG 805 CO -0.01 -0.19 0.57 1.28 -0.81 0.00 0.00 175.30 176.14 1smy n LEU 806 N 4.62 3.30 0.00 -0.88 4.77 -1.05 -5.03 117.00 122.72 1smy n LEU 806 Ca -0.17 -5.22 0.00 0.00 -0.03 0.00 0.00 56.01 50.59 1smy n LEU 806 Cb 0.50 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1smy n LEU 806 CO 0.22 1.74 0.00 -2.11 -1.33 0.00 0.00 177.39 175.91 1smy n ARG 807 N 1.95 1.04 -0.42 3.23 1.85 -1.26 -3.48 116.66 119.57 1smy n ARG 807 Ca 0.21 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.77 1smy n ARG 807 Cb 0.36 0.00 0.27 0.00 -1.05 0.00 0.00 32.46 32.03 1smy n ARG 807 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1smy n ARG 808 N -0.27 -3.15 -3.64 2.89 1.74 -1.26 -3.97 116.66 108.99 1smy n ARG 808 Ca 0.00 -0.91 -0.22 0.00 -0.77 0.00 0.00 57.85 55.95 1smy n ARG 808 Cb 0.00 -2.04 0.06 0.00 -1.02 0.00 0.00 32.46 29.46 1smy n ARG 808 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1smy n GLY 809 N 1.40 -0.41 3.68 -0.13 0.00 -1.26 -4.87 105.19 103.60 1smy n GLY 809 Ca 0.05 0.16 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 1smy n GLY 809 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smy n ASP 810 N -3.03 3.45 0.19 1.61 8.00 -1.25 -4.93 116.55 120.59 1smy n ASP 810 Ca -0.16 1.01 -0.10 0.00 0.71 0.00 0.00 54.79 56.25 1smy n ASP 810 Cb 0.62 -1.43 -0.05 0.00 -0.02 0.00 0.00 41.12 40.24 1smy n ASP 810 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1smy h PRO 811 N 8.00 -0.56 -0.00 -0.24 0.11 -1.92 -3.42 132.00 133.97 1smy h PRO 811 Ca -0.47 0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.49 1smy h PRO 811 Cb 1.26 0.13 -0.15 0.00 0.11 0.00 0.00 31.00 32.34 1smy h PRO 811 CO 0.93 -0.37 -0.29 0.41 -0.21 0.00 0.00 178.00 178.46 1smy n GLY 812 N -1.31 1.85 3.87 -0.55 0.00 -1.26 -5.14 105.19 102.65 1smy n GLY 812 Ca -0.07 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1smy n GLY 812 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smy s VAL 813 N 0.14 2.55 -0.70 1.61 -7.23 -1.26 -5.06 120.40 110.45 1smy s VAL 813 Ca 0.13 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1smy s VAL 813 Cb 0.44 -2.92 0.17 0.00 0.56 0.00 0.00 36.38 34.63 1smy s VAL 813 CO -0.12 0.00 0.51 -1.83 -0.31 0.00 0.00 175.10 173.36 1smy s GLU 814 N -4.14 2.62 -0.34 4.82 -1.05 -1.26 -5.03 118.70 114.32 1smy s GLU 814 Ca 0.47 -2.98 -0.28 0.00 -0.15 0.00 0.00 54.97 52.02 1smy s GLU 814 Cb -0.03 -3.63 0.02 0.00 -0.44 0.00 0.00 34.13 30.05 1smy s GLU 814 CO 0.27 -1.22 1.04 -1.17 0.95 0.00 0.00 175.26 175.14 1smy s LEU 815 N -0.85 3.92 0.88 1.83 2.96 -1.26 -5.01 118.68 121.15 1smy s LEU 815 Ca 0.22 0.91 -0.13 0.00 -0.22 0.00 0.00 54.13 54.92 1smy s LEU 815 Cb -0.13 -3.48 0.07 0.00 0.50 0.00 0.00 46.19 43.14 1smy s LEU 815 CO -0.09 -0.90 0.79 0.29 -1.32 0.00 0.00 176.35 175.12 1smy n LYS 816 N 6.91 -0.17 -1.75 1.98 5.02 -1.26 -4.90 118.16 123.98 1smy n LYS 816 Ca 0.11 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 56.03 1smy n LYS 816 Cb 0.47 -2.12 0.05 0.00 -0.02 0.00 0.00 35.03 33.42 1smy n LYS 816 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1smy s PRO 817 N -3.90 2.87 0.00 1.97 0.02 -1.26 -2.20 135.00 132.51 1smy s PRO 817 Ca 0.64 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1smy s PRO 817 Cb -0.25 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1smy s PRO 817 CO 0.60 -1.38 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 1smy n GLY 818 N 0.81 1.06 3.60 0.52 0.00 -1.26 -4.91 105.19 105.01 1smy n GLY 818 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1smy n GLY 818 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 819 N 0.00 3.04 0.01 1.61 1.01 -0.93 -2.18 120.40 122.96 1smy s VAL 819 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1smy s VAL 819 Cb 0.00 -3.05 -0.27 0.00 0.00 0.00 0.00 36.38 33.06 1smy s VAL 819 CO 0.00 -0.03 1.06 -0.09 0.00 0.00 0.00 175.10 176.03 1smy h ARG 820 N 14.87 0.47 -1.51 2.72 1.12 -1.56 -3.43 114.38 127.05 1smy h ARG 820 Ca -0.41 -0.60 0.09 0.00 -1.11 0.00 0.00 59.98 57.96 1smy h ARG 820 Cb 1.23 0.19 -0.25 0.00 -0.01 0.00 0.00 29.97 31.13 1smy h ARG 820 CO 0.97 1.23 0.56 -1.83 -3.11 0.00 0.00 179.97 177.79 1smy s GLU 821 N -2.97 0.48 0.18 0.20 -1.05 -1.23 -4.53 118.70 109.79 1smy s GLU 821 Ca -0.12 0.31 0.06 0.00 -0.15 0.00 0.00 54.97 55.07 1smy s GLU 821 Cb 0.04 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.92 1smy s GLU 821 CO 0.86 -0.11 0.10 0.14 0.95 0.00 0.00 175.26 177.21 1smy s VAL 822 N -0.48 4.24 -0.21 1.83 -7.23 -1.23 -1.03 120.40 116.29 1smy s VAL 822 Ca 0.02 -1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 58.91 1smy s VAL 822 Cb -0.03 -3.18 0.06 0.00 0.56 0.00 0.00 36.38 33.80 1smy s VAL 822 CO -0.03 -0.15 0.04 -0.69 -0.31 0.00 0.00 175.10 173.95 1smy s VAL 823 N -1.83 0.61 -0.03 1.32 1.01 -0.11 -2.53 120.40 118.85 1smy s VAL 823 Ca 0.30 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1smy s VAL 823 Cb -0.09 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1smy s VAL 823 CO 0.22 -0.26 0.15 -0.13 0.00 0.00 0.00 175.10 175.08 1smy s ARG 824 N 1.81 3.36 -0.12 2.72 0.52 0.14 -2.03 118.95 125.35 1smy s ARG 824 Ca -0.00 -0.31 -0.04 0.00 -0.52 0.00 0.00 55.73 54.86 1smy s ARG 824 Cb -0.17 -3.07 0.05 0.00 0.52 0.00 0.00 34.95 32.28 1smy s ARG 824 CO -0.10 0.69 0.10 0.08 0.02 0.00 0.00 175.30 176.09 1smy s VAL 825 N -1.23 -0.13 -0.10 3.52 1.01 -0.87 -0.33 120.40 122.27 1smy s VAL 825 Ca 0.24 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 1smy s VAL 825 Cb -0.12 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1smy s VAL 825 CO 0.15 -0.07 0.47 -0.31 0.00 0.00 0.00 175.10 175.33 1smy s TYR 826 N 2.18 3.55 0.01 5.22 2.02 0.20 -2.65 117.35 127.87 1smy s TYR 826 Ca 0.04 0.91 0.08 0.00 -0.37 0.00 0.00 57.07 57.72 1smy s TYR 826 Cb -0.14 -2.51 -0.03 0.00 -0.40 0.00 0.00 41.96 38.88 1smy s TYR 826 CO -0.07 0.25 -0.23 0.08 -1.57 0.00 0.00 175.55 174.01 1smy s VAL 827 N 0.32 2.37 0.03 0.71 1.01 -0.62 -1.95 120.40 122.28 1smy s VAL 827 Ca 0.25 -1.15 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1smy s VAL 827 Cb -0.15 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1smy s VAL 827 CO 0.11 0.47 -0.15 0.00 0.00 0.00 0.00 175.10 175.52 1smy s ALA 828 N -0.75 1.28 -0.03 5.51 0.00 -1.13 -0.14 121.76 126.51 1smy s ALA 828 Ca 0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 1smy s ALA 828 Cb -0.10 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1smy s ALA 828 CO 0.01 0.26 0.10 1.14 0.00 0.00 0.00 175.76 177.28 1smy s GLN 829 N -1.01 0.16 -0.48 0.00 -2.07 -0.78 -0.34 119.66 115.14 1smy s GLN 829 Ca 0.03 0.08 -0.26 0.00 -1.82 0.00 0.00 55.36 53.40 1smy s GLN 829 Cb -0.08 0.07 0.03 0.00 -1.09 0.00 0.00 33.01 31.95 1smy s GLN 829 CO 0.01 -0.02 0.95 0.21 -1.32 0.00 0.00 175.29 175.12 1smy s LYS 830 N -0.11 3.51 -0.44 9.60 2.20 -1.26 -2.57 119.74 130.67 1smy s LYS 830 Ca -0.02 0.12 -0.24 0.00 -0.36 0.00 0.00 55.97 55.47 1smy s LYS 830 Cb -0.02 -3.95 0.02 0.00 -1.51 0.00 0.00 37.83 32.38 1smy s LYS 830 CO 0.00 -1.29 0.84 1.03 -0.36 0.00 0.00 175.35 175.57 1smy s ARG 831 N 3.87 3.51 0.27 4.03 1.81 -0.32 -4.89 118.95 127.23 1smy s ARG 831 Ca 0.37 0.07 -0.03 0.00 -1.72 0.00 0.00 55.73 54.41 1smy s ARG 831 Cb -0.10 -3.91 -0.05 0.00 -0.45 0.00 0.00 34.95 30.44 1smy s ARG 831 CO 0.26 -1.11 0.50 0.15 -0.68 0.00 0.00 175.30 174.42 1smy s LYS 832 N 3.42 3.58 0.02 3.54 1.02 -1.26 -0.36 119.74 129.70 1smy s LYS 832 Ca 0.33 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.88 1smy s LYS 832 Cb -0.12 -2.71 -0.08 0.00 -0.52 0.00 0.00 37.83 34.40 1smy s LYS 832 CO 0.23 0.27 1.93 -1.17 -0.92 0.00 0.00 175.35 175.68 1smy s LEU 833 N -3.55 4.39 0.08 3.17 2.96 -1.25 -4.95 118.68 119.53 1smy s LEU 833 Ca 0.42 2.59 0.02 0.00 -0.22 0.00 0.00 54.13 56.94 1smy s LEU 833 Cb -0.11 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1smy s LEU 833 CO 0.30 -1.06 -0.08 0.00 -1.32 0.00 0.00 176.35 174.20 1smy s GLN 834 N 4.45 0.74 -0.11 1.98 -2.07 -1.26 -5.00 119.66 118.39 1smy s GLN 834 Ca 0.87 -1.12 -0.38 0.00 -1.82 0.00 0.00 55.36 52.91 1smy s GLN 834 Cb -0.41 -0.29 -0.15 0.00 -1.09 0.00 0.00 33.01 31.07 1smy s GLN 834 CO 0.40 0.02 1.65 1.55 -1.32 0.00 0.00 175.29 177.59 1smy n VAL 835 N 0.55 0.25 0.00 3.63 3.14 -1.26 -0.79 118.33 123.84 1smy n VAL 835 Ca -0.16 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 1smy n VAL 835 Cb 0.58 -1.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 1smy n VAL 835 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1smy n GLY 836 N 3.72 2.36 3.79 7.55 0.00 -0.31 -5.00 105.19 117.30 1smy n GLY 836 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1smy n GLY 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1smy s ASP 837 N -1.75 6.37 -0.09 1.61 -1.08 0.03 -4.71 116.67 117.06 1smy s ASP 837 Ca 0.00 2.05 0.02 0.00 -0.52 0.00 0.00 52.55 54.09 1smy s ASP 837 Cb 0.00 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.86 1smy s ASP 837 CO 0.00 -0.76 -0.13 -1.59 0.52 0.00 0.00 175.17 173.21 1smy s LYS 838 N -2.93 2.95 0.09 4.34 -2.85 -1.26 -0.44 119.74 119.64 1smy s LYS 838 Ca 0.64 -0.68 0.09 0.00 -1.00 0.00 0.00 55.97 55.03 1smy s LYS 838 Cb -0.21 -2.52 -0.03 0.00 -2.06 0.00 0.00 37.83 33.01 1smy s LYS 838 CO 0.25 0.43 -0.23 -0.51 0.10 0.00 0.00 175.35 175.39 1smy s LEU 839 N -0.22 2.26 -0.20 2.77 1.43 0.09 -0.09 118.68 124.72 1smy s LEU 839 Ca 0.01 -0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 1smy s LEU 839 Cb -0.13 -1.05 0.06 0.00 0.03 0.00 0.00 46.19 45.09 1smy s LEU 839 CO 0.03 0.14 0.50 0.00 0.23 0.00 0.00 176.35 177.25 1smy s ALA 840 N -1.02 -1.29 1.02 4.21 0.00 -0.81 -1.29 121.76 122.58 1smy s ALA 840 Ca 0.10 1.66 -0.17 0.00 0.00 0.00 0.00 51.96 53.54 1smy s ALA 840 Cb -0.10 -0.98 0.22 0.00 0.00 0.00 0.00 23.12 22.26 1smy s ALA 840 CO 0.04 -0.28 1.27 0.54 0.00 0.00 0.00 175.76 177.34 1smy s ASN 841 N 0.96 2.60 0.00 0.00 6.03 -1.03 -3.10 114.94 120.40 1smy s ASN 841 Ca -0.06 0.35 0.31 0.00 -1.03 0.00 0.00 52.86 52.44 1smy s ASN 841 Cb -0.06 -0.44 1.79 0.00 -3.03 0.00 0.00 41.25 39.52 1smy s ASN 841 CO -0.08 -3.06 2.17 0.54 -2.03 0.00 0.00 177.10 174.63 1smy n ARG 842 N -4.00 0.98 0.00 3.55 1.74 -1.26 -3.08 116.66 114.59 1smy n ARG 842 Ca 0.15 -0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 1smy n ARG 842 Cb 0.59 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.78 1smy n ARG 842 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1smy n HIS 843 N -0.94 0.00 0.00 -1.55 8.25 -1.26 -4.51 115.22 115.21 1smy n HIS 843 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1smy n HIS 843 Cb 0.15 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1smy n HIS 843 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1smy n GLY 844 N 1.33 1.31 3.55 -1.41 0.00 -1.18 -4.40 105.19 104.39 1smy n GLY 844 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1smy n GLY 844 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1smy s ASN 845 N -1.88 4.87 -0.32 1.61 3.84 -1.26 -4.72 114.94 117.07 1smy s ASN 845 Ca 0.00 0.67 -0.05 0.00 0.21 0.00 0.00 52.86 53.69 1smy s ASN 845 Cb 0.00 -2.52 0.04 0.00 -0.55 0.00 0.00 41.25 38.23 1smy s ASN 845 CO 0.00 -2.63 0.07 -0.75 -2.79 0.00 0.00 177.10 171.00 1smy s LYS 846 N 7.62 2.56 0.20 0.43 2.20 -1.26 -2.46 119.74 129.04 1smy s LYS 846 Ca 0.81 -1.20 0.03 0.00 -0.36 0.00 0.00 55.97 55.26 1smy s LYS 846 Cb -0.15 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 1smy s LYS 846 CO 0.23 -0.64 -0.03 0.20 -0.36 0.00 0.00 175.35 174.75 1smy s GLY 847 N 1.35 1.39 0.09 5.54 0.00 -0.41 -4.99 107.32 110.28 1smy s GLY 847 Ca -0.03 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.06 1smy s GLY 847 CO 0.01 -1.63 0.02 0.54 0.00 0.00 0.00 173.10 172.05 1smy s VAL 848 N -3.44 4.14 -0.06 1.40 0.11 -1.17 -0.74 120.40 120.66 1smy s VAL 848 Ca 0.25 -0.95 -0.30 0.00 -2.93 0.00 0.00 61.98 58.05 1smy s VAL 848 Cb 0.05 -2.98 -0.05 0.00 -1.53 0.00 0.00 36.38 31.87 1smy s VAL 848 CO 0.06 0.11 1.49 -0.69 -3.33 0.00 0.00 175.10 172.75 1smy s VAL 849 N -1.35 3.74 -0.15 2.04 1.01 0.42 -1.39 120.40 124.73 1smy s VAL 849 Ca 0.27 0.99 0.08 0.00 0.00 0.00 0.00 61.98 63.32 1smy s VAL 849 Cb -0.12 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 1smy s VAL 849 CO 0.19 -0.06 0.23 0.00 0.00 0.00 0.00 175.10 175.46 1smy n ALA 850 N 6.41 2.56 -3.41 5.51 0.00 0.59 -1.16 120.51 131.02 1smy n ALA 850 Ca 0.15 -0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1smy n ALA 850 Cb 0.43 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 1smy n ALA 850 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1smy s LYS 851 N -2.20 0.35 -0.33 0.00 2.47 -1.23 -4.98 119.74 113.82 1smy s LYS 851 Ca -0.01 0.84 -0.23 0.00 -1.56 0.00 0.00 55.97 55.02 1smy s LYS 851 Cb 0.05 0.50 0.00 0.00 -1.46 0.00 0.00 37.83 36.93 1smy s LYS 851 CO 0.31 -0.16 0.75 0.42 0.16 0.00 0.00 175.35 176.83 1smy s ILE 852 N 2.60 4.80 0.08 5.43 -1.09 -1.26 -0.99 121.20 130.77 1smy s ILE 852 Ca -0.02 0.96 0.01 0.00 -2.23 0.00 0.00 60.65 59.37 1smy s ILE 852 Cb -0.08 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1smy s ILE 852 CO -0.17 -0.32 0.23 -0.22 -1.23 0.00 0.00 174.94 173.22 1smy s LEU 853 N 2.95 4.34 0.27 2.97 2.96 0.22 -4.80 118.68 127.57 1smy s LEU 853 Ca 0.30 0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 54.15 1smy s LEU 853 Cb -0.14 -2.93 -0.09 0.00 0.50 0.00 0.00 46.19 43.53 1smy s LEU 853 CO 0.14 0.14 1.07 -2.84 -1.32 0.00 0.00 176.35 173.55 1smy s PRO 854 N -2.70 4.67 0.65 0.98 0.02 -1.26 0.14 135.00 137.51 1smy s PRO 854 Ca 0.35 1.75 0.31 0.00 0.02 0.00 0.00 61.00 63.43 1smy s PRO 854 Cb -0.12 -3.21 1.71 0.00 0.02 0.00 0.00 34.50 32.90 1smy s PRO 854 CO 0.28 0.25 1.96 -0.24 -0.33 0.00 0.00 177.00 178.92 1smy h VAL 855 N 3.15 0.00 -0.87 3.83 3.04 -1.94 -2.11 116.25 121.35 1smy h VAL 855 Ca -0.46 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.32 1smy h VAL 855 Cb 1.21 0.70 -0.12 0.00 -2.01 0.00 0.00 31.29 31.07 1smy h VAL 855 CO 0.67 0.00 -0.46 -0.62 -1.01 0.00 0.00 177.57 176.16 1smy n GLU 856 N -2.87 -0.32 0.00 4.17 1.02 -1.26 -3.59 120.64 117.79 1smy n GLU 856 Ca -0.02 1.32 0.00 0.00 -0.02 0.00 0.00 57.16 58.43 1smy n GLU 856 Cb 0.33 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1smy n GLU 856 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1smy n ASP 857 N -5.14 0.92 -4.84 1.62 3.85 -0.80 -4.77 116.55 107.39 1smy n ASP 857 Ca 0.04 -1.04 -0.31 0.00 -0.71 0.00 0.00 54.79 52.76 1smy n ASP 857 Cb 0.26 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.05 1smy n ASP 857 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1smy s MET 858 N -0.04 3.40 -0.16 0.11 0.23 -1.19 -2.23 119.30 119.41 1smy s MET 858 Ca 0.00 0.89 -0.32 0.00 -1.03 0.00 0.00 55.69 55.23 1smy s MET 858 Cb 0.00 -2.05 -0.15 0.00 -1.53 0.00 0.00 34.83 31.10 1smy s MET 858 CO 0.00 -0.73 0.96 -2.30 -2.03 0.00 0.00 175.02 170.92 1smy n PRO 859 N -2.66 0.00 -4.34 3.16 -0.02 -1.26 -3.93 135.00 125.95 1smy n PRO 859 Ca 0.07 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.35 1smy n PRO 859 Cb 0.54 -1.11 -0.13 0.00 -0.02 0.00 0.00 33.50 32.77 1smy n PRO 859 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1smy s HIS 860 N 0.96 1.12 1.09 6.00 -3.43 -0.91 -0.53 115.29 119.58 1smy s HIS 860 Ca 0.72 -0.33 -0.16 0.00 -0.80 0.00 0.00 55.06 54.48 1smy s HIS 860 Cb -1.01 -0.68 0.23 0.00 -1.43 0.00 0.00 32.58 29.69 1smy s HIS 860 CO 0.50 0.02 1.13 -0.51 -2.00 0.00 0.00 174.74 173.88 1smy s LEU 861 N -1.01 1.32 0.11 5.38 1.02 -0.73 -0.87 118.68 123.90 1smy s LEU 861 Ca 0.01 0.76 -0.25 0.00 0.02 0.00 0.00 54.13 54.67 1smy s LEU 861 Cb -0.07 -2.72 -0.08 0.00 0.02 0.00 0.00 46.19 43.33 1smy s LEU 861 CO 0.01 -3.51 1.66 -0.65 0.02 0.00 0.00 176.35 173.88 1smy h PRO 862 N -2.16 -0.34 -6.28 1.29 0.11 -1.89 -3.37 132.00 119.36 1smy h PRO 862 Ca -0.48 0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.10 1smy h PRO 862 Cb 1.30 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.46 1smy h PRO 862 CO 0.44 -0.22 0.69 0.16 -0.21 0.00 0.00 178.00 178.86 1smy s ASP 863 N -4.91 7.09 0.00 -2.05 -4.77 -1.26 -4.89 116.67 105.88 1smy s ASP 863 Ca -0.15 1.72 0.00 0.00 -3.30 0.00 0.00 52.55 50.82 1smy s ASP 863 Cb 0.08 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 1smy s ASP 863 CO 0.66 -0.57 0.00 0.61 0.70 0.00 0.00 175.17 176.57 1smy n GLY 864 N 3.32 0.00 2.58 2.12 0.00 -1.26 -4.73 105.19 107.22 1smy n GLY 864 Ca 0.11 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 1smy n GLY 864 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1smy n THR 865 N -0.40 0.00 -2.82 2.61 5.66 -1.26 -4.47 114.28 113.60 1smy n THR 865 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1smy n THR 865 Cb 0.00 -0.35 0.02 0.00 -1.55 0.00 0.00 70.33 68.45 1smy n THR 865 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1smy s PRO 866 N 2.50 2.99 0.39 1.09 0.02 -1.26 -1.77 135.00 138.95 1smy s PRO 866 Ca 0.76 -0.40 -0.17 0.00 0.02 0.00 0.00 61.00 61.20 1smy s PRO 866 Cb -1.06 -2.49 -0.09 0.00 0.02 0.00 0.00 34.50 30.88 1smy s PRO 866 CO 0.56 -0.40 0.84 0.14 -0.33 0.00 0.00 177.00 177.81 1smy s VAL 867 N -2.67 4.57 -0.15 3.83 -7.23 0.31 -4.90 120.40 114.15 1smy s VAL 867 Ca 0.50 1.15 -0.20 0.00 -1.81 0.00 0.00 61.98 61.62 1smy s VAL 867 Cb -0.10 -3.63 -0.24 0.00 0.56 0.00 0.00 36.38 32.97 1smy s VAL 867 CO 0.40 -0.31 0.44 0.44 -0.31 0.00 0.00 175.10 175.75 1smy h ASP 868 N 1.91 0.17 -4.33 4.85 3.32 -1.84 -3.44 116.42 117.05 1smy h ASP 868 Ca -0.48 -0.74 -0.36 0.00 0.02 0.00 0.00 57.03 55.46 1smy h ASP 868 Cb 1.18 -0.06 -0.25 0.00 0.22 0.00 0.00 39.33 40.42 1smy h ASP 868 CO 0.63 1.49 -0.77 0.54 -1.72 0.00 0.00 179.24 179.41 1smy s VAL 869 N -2.40 0.76 -0.31 -1.35 0.11 -1.15 -0.71 120.40 115.35 1smy s VAL 869 Ca -0.23 -0.79 -0.03 0.00 -2.93 0.00 0.00 61.98 57.99 1smy s VAL 869 Cb 0.04 -0.71 0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1smy s VAL 869 CO 0.68 -0.06 0.04 -0.63 -3.33 0.00 0.00 175.10 171.80 1smy s ILE 870 N -0.78 3.25 -0.22 7.04 1.01 -1.10 -0.61 121.20 129.79 1smy s ILE 870 Ca -0.01 -1.31 -0.09 0.00 0.00 0.00 0.00 60.65 59.23 1smy s ILE 870 Cb -0.07 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1smy s ILE 870 CO 0.01 -0.14 0.11 -0.22 0.00 0.00 0.00 174.94 174.70 1smy s LEU 871 N 1.30 3.90 0.65 2.97 1.98 -0.57 -3.51 118.68 125.40 1smy s LEU 871 Ca -0.04 0.05 -0.18 0.00 -2.89 0.00 0.00 54.13 51.07 1smy s LEU 871 Cb -0.20 -2.03 -0.01 0.00 0.66 0.00 0.00 46.19 44.62 1smy s LEU 871 CO 0.00 0.08 1.26 0.21 -1.89 0.00 0.00 176.35 176.01 1smy s ASN 872 N 0.93 4.66 -0.04 3.68 3.84 -1.14 -1.44 114.94 125.42 1smy s ASN 872 Ca 0.06 2.51 0.10 0.00 0.21 0.00 0.00 52.86 55.74 1smy s ASN 872 Cb -0.13 -2.61 -0.23 0.00 -0.55 0.00 0.00 41.25 37.72 1smy s ASN 872 CO 0.03 -1.96 0.66 -0.65 -2.79 0.00 0.00 177.10 172.39 1smy h PRO 873 N 0.45 0.03 0.00 0.43 0.11 -1.80 -3.37 132.00 127.86 1smy h PRO 873 Ca -0.50 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1smy h PRO 873 Cb 1.32 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1smy h PRO 873 CO 0.53 0.60 0.29 1.28 -0.21 0.00 0.00 178.00 180.49 1smy n LEU 874 N -3.11 0.20 -1.12 2.35 4.77 -1.26 0.49 117.00 119.31 1smy n LEU 874 Ca -0.18 0.44 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 1smy n LEU 874 Cb 1.05 -0.40 0.25 0.00 -2.33 0.00 0.00 43.42 41.99 1smy n LEU 874 CO 0.45 -0.51 0.69 0.61 -1.33 0.00 0.00 177.39 177.31 1smy n GLY 875 N -1.28 1.78 0.01 -0.72 0.00 -1.26 -4.26 105.19 99.47 1smy n GLY 875 Ca -0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 1smy n GLY 875 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1smy n VAL 876 N 0.84 0.16 0.15 1.61 3.14 0.18 -4.47 118.33 119.94 1smy n VAL 876 Ca 0.18 -0.10 -0.13 0.00 -2.96 0.00 0.00 64.34 61.33 1smy n VAL 876 Cb 0.59 -0.91 -0.08 0.00 -1.06 0.00 0.00 33.84 32.38 1smy n VAL 876 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1smy h PRO 877 N 0.00 -0.38 -0.05 1.45 0.13 -1.74 -3.33 132.00 128.08 1smy h PRO 877 Ca -0.06 0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1smy h PRO 877 Cb 1.14 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1smy h PRO 877 CO 0.00 -0.07 -0.17 1.03 -0.23 0.00 0.00 178.00 178.57 1smy h SER 878 N -0.72 -0.53 -4.12 1.44 0.87 -1.86 -3.39 113.55 105.24 1smy h SER 878 Ca -0.04 0.06 -0.54 0.00 -1.23 0.00 0.00 61.79 60.04 1smy h SER 878 Cb 0.49 0.21 0.14 0.00 -0.44 0.00 0.00 62.40 62.79 1smy h SER 878 CO 0.07 -0.14 0.47 -0.13 -0.53 0.00 0.00 176.83 176.56 1smy s ARG 879 N -3.82 2.64 -0.73 2.24 3.00 -1.25 -4.94 118.95 116.09 1smy s ARG 879 Ca -0.05 1.88 0.04 0.00 0.00 0.00 0.00 55.73 57.60 1smy s ARG 879 Cb 0.02 -1.88 0.24 0.00 0.00 0.00 0.00 34.95 33.33 1smy s ARG 879 CO 0.19 -1.48 0.78 -1.33 0.00 0.00 0.00 175.30 173.46 1smy n MET 880 N -1.97 2.61 -3.54 3.54 2.81 -1.26 -4.75 117.12 114.56 1smy n MET 880 Ca 0.14 -4.60 -0.27 0.00 -1.81 0.00 0.00 57.70 51.16 1smy n MET 880 Cb 0.49 -2.31 -0.10 0.00 -0.71 0.00 0.00 33.22 30.60 1smy n MET 880 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1smy n ASN 881 N 1.31 2.31 0.17 7.83 2.04 -1.26 0.24 115.26 127.90 1smy n ASN 881 Ca 0.26 -3.09 0.13 0.00 -0.44 0.00 0.00 54.58 51.45 1smy n ASN 881 Cb 0.38 -0.68 0.58 0.00 -2.53 0.00 0.00 39.78 37.54 1smy n ASN 881 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 1smy h LEU 882 N 4.78 0.00 -1.14 -4.53 3.38 -0.59 -3.08 115.31 114.13 1smy h LEU 882 Ca 0.17 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.45 1smy h LEU 882 Cb 0.76 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.39 1smy h LEU 882 CO 0.67 0.00 0.64 1.23 0.09 0.00 0.00 178.44 181.07 1smy h GLY 883 N 1.70 1.73 1.35 0.83 0.00 -1.72 0.52 103.07 107.48 1smy h GLY 883 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1smy h GLY 883 CO 0.00 -0.34 -0.29 0.06 0.00 0.00 0.00 176.54 175.97 1smy h GLN 884 N 0.37 0.73 -0.40 4.80 3.07 -1.88 0.40 115.11 122.20 1smy h GLN 884 Ca 0.69 -0.32 -0.09 0.00 0.09 0.00 0.00 58.65 59.02 1smy h GLN 884 Cb 1.65 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 29.18 1smy h GLN 884 CO -0.48 0.93 -0.10 0.82 0.09 0.00 0.00 178.83 180.09 1smy h ILE 885 N 0.63 1.25 0.00 1.86 1.08 -0.30 0.12 117.51 122.15 1smy h ILE 885 Ca 0.08 -1.12 -0.06 0.00 -0.39 0.00 0.00 64.86 63.36 1smy h ILE 885 Cb 0.80 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 1smy h ILE 885 CO 0.07 0.38 -0.31 0.25 -0.69 0.00 0.00 178.15 177.85 1smy h LEU 886 N 0.65 0.00 0.21 1.44 6.46 -0.48 -2.56 115.31 121.02 1smy h LEU 886 Ca 0.11 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.59 1smy h LEU 886 Cb 0.55 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.51 1smy h LEU 886 CO 0.03 0.31 -1.26 -0.08 -0.62 0.00 0.00 178.44 176.82 1smy h GLU 887 N 0.00 0.44 -0.46 1.25 4.81 -0.03 -3.21 114.58 117.38 1smy h GLU 887 Ca -0.00 -0.74 0.04 0.00 -0.13 0.00 0.00 59.36 58.52 1smy h GLU 887 Cb 0.72 0.28 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1smy h GLU 887 CO 0.04 1.36 0.23 1.15 -0.73 0.00 0.00 179.01 181.06 1smy h THR 888 N -0.06 0.97 0.66 0.32 2.02 -0.66 -1.26 112.91 114.90 1smy h THR 888 Ca -0.22 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1smy h THR 888 Cb 1.96 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1smy h THR 888 CO 0.22 0.08 -0.32 0.45 0.37 0.00 0.00 175.52 176.32 1smy h HIS 889 N 0.46 -0.82 -0.84 3.16 3.86 -1.59 -0.84 115.15 118.54 1smy h HIS 889 Ca 0.20 -0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.50 1smy h HIS 889 Cb 0.10 0.27 -0.06 0.00 1.06 0.00 0.00 27.41 28.78 1smy h HIS 889 CO -0.10 -0.50 0.55 1.25 0.86 0.00 0.00 177.93 179.98 1smy h LEU 890 N -0.90 0.66 -0.55 2.43 5.85 -1.54 0.11 115.31 121.37 1smy h LEU 890 Ca -0.09 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1smy h LEU 890 Cb 0.68 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1smy h LEU 890 CO 0.15 0.37 0.36 1.23 -0.34 0.00 0.00 178.44 180.21 1smy h GLY 891 N 0.72 0.78 0.16 3.75 0.00 -0.86 -1.86 103.07 105.76 1smy h GLY 891 Ca 0.40 -0.28 0.21 0.00 0.00 0.00 0.00 47.33 47.67 1smy h GLY 891 CO -0.17 0.27 0.62 -2.00 0.00 0.00 0.00 176.54 175.26 1smy h LEU 892 N 0.73 0.53 0.21 3.11 5.85 0.49 -0.68 115.31 125.56 1smy h LEU 892 Ca 0.21 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1smy h LEU 892 Cb -0.06 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1smy h LEU 892 CO -0.06 0.18 -0.10 0.00 -0.34 0.00 0.00 178.44 178.13 1smy h ALA 893 N 1.62 -0.28 -0.60 1.25 0.00 -1.20 -3.21 119.26 116.84 1smy h ALA 893 Ca 0.53 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.40 1smy h ALA 893 Cb 1.16 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1smy h ALA 893 CO -0.26 -0.37 0.63 0.78 0.00 0.00 0.00 179.25 180.03 1smy h GLY 894 N -0.86 0.00 0.48 0.00 0.00 -0.45 0.27 103.07 102.51 1smy h GLY 894 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1smy h GLY 894 CO 0.05 0.00 -0.23 -1.82 0.00 0.00 0.00 176.54 174.54 1smy h TYR 895 N 0.00 -0.59 0.00 5.60 3.20 -1.18 0.24 116.97 124.24 1smy h TYR 895 Ca 0.29 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1smy h TYR 895 Cb 1.54 0.20 0.00 0.00 1.54 0.00 0.00 36.73 40.01 1smy h TYR 895 CO 0.00 -0.37 0.00 0.74 -1.64 0.00 0.00 178.16 176.89 1smy h PHE 896 N -0.96 0.00 -0.01 -3.82 -1.00 -1.49 -2.38 116.94 107.28 1smy h PHE 896 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1smy h PHE 896 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 1smy h PHE 896 CO 0.03 0.00 -0.30 1.28 -1.61 0.00 0.00 178.31 177.71 1smy n LEU 897 N -2.46 1.42 -3.83 1.54 4.32 0.91 -4.87 117.00 114.04 1smy n LEU 897 Ca 0.04 -0.45 -0.35 0.00 -0.02 0.00 0.00 56.01 55.22 1smy n LEU 897 Cb 0.37 -0.07 0.03 0.00 -1.62 0.00 0.00 43.42 42.12 1smy n LEU 897 CO 0.27 0.26 -0.11 0.61 -1.22 0.00 0.00 177.39 177.20 1smy n GLY 898 N 1.35 -0.99 3.50 -0.72 0.00 0.71 -4.86 105.19 104.18 1smy n GLY 898 Ca 0.12 0.43 -0.16 0.00 0.00 0.00 0.00 46.02 46.41 1smy n GLY 898 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1smy s GLN 899 N -6.28 1.05 0.02 1.61 -2.07 -0.29 -3.39 119.66 110.31 1smy s GLN 899 Ca 0.39 0.07 0.03 0.00 -1.82 0.00 0.00 55.36 54.03 1smy s GLN 899 Cb -0.18 0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 1smy s GLN 899 CO 0.91 -0.37 -0.02 1.03 -1.32 0.00 0.00 175.29 175.52 1smy s ARG 900 N -1.82 2.67 0.47 9.60 0.52 0.11 -4.42 118.95 126.08 1smy s ARG 900 Ca -0.07 -0.69 0.05 0.00 -0.52 0.00 0.00 55.73 54.51 1smy s ARG 900 Cb -0.00 -2.59 -0.02 0.00 0.52 0.00 0.00 34.95 32.85 1smy s ARG 900 CO 0.03 0.60 0.18 0.71 0.02 0.00 0.00 175.30 176.84 1smy s TYR 901 N -1.11 2.19 -0.22 -0.53 1.51 -1.14 -2.95 117.35 115.10 1smy s TYR 901 Ca 0.20 -0.74 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1smy s TYR 901 Cb -0.11 -1.85 0.07 0.00 -0.11 0.00 0.00 41.96 39.95 1smy s TYR 901 CO 0.11 0.06 0.04 0.42 -1.11 0.00 0.00 175.55 175.07 1smy s ILE 902 N -2.72 0.65 -0.36 2.71 1.01 -0.31 -3.21 121.20 118.98 1smy s ILE 902 Ca 0.30 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1smy s ILE 902 Cb 0.02 -1.19 0.10 0.00 0.01 0.00 0.00 42.46 41.40 1smy s ILE 902 CO 0.17 -0.28 0.09 -0.55 0.00 0.00 0.00 174.94 174.38 1smy s SER 903 N 1.79 4.91 0.77 3.58 0.15 -0.75 -2.12 113.70 122.03 1smy s SER 903 Ca 0.00 -2.11 -0.15 0.00 0.70 0.00 0.00 55.95 54.40 1smy s SER 903 Cb -0.17 -1.69 0.04 0.00 -1.71 0.00 0.00 66.02 62.49 1smy s SER 903 CO -0.11 -0.42 1.06 -2.65 1.20 0.00 0.00 173.24 172.32 1smy n PRO 904 N 4.36 0.35 0.00 5.44 -0.02 -1.25 -4.43 135.00 139.45 1smy n PRO 904 Ca 0.02 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1smy n PRO 904 Cb 0.42 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1smy n PRO 904 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1smy n ILE 905 N -2.89 0.00 0.77 4.25 2.08 -1.26 -2.51 119.36 119.80 1smy n ILE 905 Ca 0.13 0.30 0.09 0.00 0.56 0.00 0.00 62.75 63.84 1smy n ILE 905 Cb 0.50 -0.50 -0.12 0.00 -0.75 0.00 0.00 39.64 38.77 1smy n ILE 905 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1smy n PHE 906 N -0.37 0.00 -3.25 1.39 3.01 -1.26 -4.57 117.46 112.41 1smy n PHE 906 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 1smy n PHE 906 Cb 0.00 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.35 1smy n PHE 906 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1smy n ASP 907 N -1.56 4.64 0.00 4.37 2.03 -1.19 -5.03 116.55 119.81 1smy n ASP 907 Ca 0.03 -3.47 0.00 0.00 0.52 0.00 0.00 54.79 51.87 1smy n ASP 907 Cb 0.33 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1smy n ASP 907 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1smy n GLY 908 N 0.84 5.87 3.36 0.27 0.00 -1.04 -3.74 105.19 110.74 1smy n GLY 908 Ca 0.30 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 1smy n GLY 908 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy n ALA 909 N -3.00 -2.68 -2.81 4.61 0.00 -1.26 -3.87 120.51 111.50 1smy n ALA 909 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 1smy n ALA 909 Cb 0.00 -1.70 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 1smy n ALA 909 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1smy s LYS 910 N -2.92 0.38 0.19 0.00 2.47 -1.26 -4.99 119.74 113.62 1smy s LYS 910 Ca 0.57 -0.31 -0.09 0.00 -1.56 0.00 0.00 55.97 54.58 1smy s LYS 910 Cb -0.27 -0.30 0.26 0.00 -1.46 0.00 0.00 37.83 36.06 1smy s LYS 910 CO 0.66 0.07 1.13 -1.91 0.16 0.00 0.00 175.35 175.46 1smy n GLU 911 N 2.56 -0.11 -0.26 4.03 2.13 -1.26 0.19 120.64 127.92 1smy n GLU 911 Ca -0.16 1.12 -0.05 0.00 0.66 0.00 0.00 57.16 58.74 1smy n GLU 911 Cb 0.57 -1.67 0.06 0.00 0.27 0.00 0.00 31.44 30.67 1smy n GLU 911 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1smy h PRO 912 N 0.00 0.94 -0.73 5.31 0.11 -1.98 0.18 132.00 135.83 1smy h PRO 912 Ca 0.30 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1smy h PRO 912 Cb 0.49 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.35 1smy h PRO 912 CO -0.73 0.62 0.46 0.93 -0.21 0.00 0.00 178.00 179.07 1smy h GLU 913 N 0.97 0.98 0.18 1.05 5.08 -0.68 0.82 114.58 122.99 1smy h GLU 913 Ca 0.27 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1smy h GLU 913 Cb -0.10 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 28.94 1smy h GLU 913 CO -0.06 0.68 -0.09 0.82 -1.00 0.00 0.00 179.01 179.36 1smy h ILE 914 N 1.00 0.88 -0.97 3.13 5.03 -0.54 -1.56 117.51 124.48 1smy h ILE 914 Ca 0.26 -0.28 0.25 0.00 -0.12 0.00 0.00 64.86 64.97 1smy h ILE 914 Cb -0.07 1.05 -0.07 0.00 -3.03 0.00 0.00 36.82 34.71 1smy h ILE 914 CO -0.05 0.07 0.65 0.11 -0.68 0.00 0.00 178.15 178.25 1smy h LYS 915 N -0.38 0.28 0.43 2.37 1.79 -0.28 -0.53 116.57 120.26 1smy h LYS 915 Ca -0.02 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1smy h LYS 915 Cb 0.29 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1smy h LYS 915 CO 0.04 0.18 -0.21 1.49 -1.08 0.00 0.00 179.45 179.87 1smy h GLU 916 N 0.28 -0.56 -0.89 3.15 4.81 -0.13 -2.07 114.58 119.17 1smy h GLU 916 Ca 0.51 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.89 1smy h GLU 916 Cb 1.48 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.92 1smy h GLU 916 CO -0.16 -0.26 0.58 -0.07 -0.73 0.00 0.00 179.01 178.37 1smy h LEU 917 N -0.96 0.77 -0.81 1.64 3.38 -0.42 0.15 115.31 119.05 1smy h LEU 917 Ca -0.06 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1smy h LEU 917 Cb 0.57 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1smy h LEU 917 CO 0.10 0.43 0.54 0.25 0.09 0.00 0.00 178.44 179.85 1smy h LEU 918 N 0.84 0.92 -1.32 1.67 5.85 -1.10 0.12 115.31 122.28 1smy h LEU 918 Ca 0.43 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.18 1smy h LEU 918 Cb 0.49 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1smy h LEU 918 CO -0.19 0.66 0.49 0.00 -0.34 0.00 0.00 178.44 179.07 1smy h ALA 919 N 1.31 1.63 -0.34 1.25 0.00 0.01 0.67 119.26 123.79 1smy h ALA 919 Ca 0.30 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 1smy h ALA 919 Cb -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1smy h ALA 919 CO -0.07 0.26 -0.22 0.37 0.00 0.00 0.00 179.25 179.59 1smy h GLN 920 N 0.84 0.75 -0.62 0.00 5.75 -0.17 -3.16 115.11 118.51 1smy h GLN 920 Ca 0.32 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1smy h GLN 920 Cb 0.18 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 1smy h GLN 920 CO -0.10 0.97 0.35 0.00 -2.65 0.00 0.00 178.83 177.39 1smy h ALA 921 N 0.77 0.79 -0.40 3.38 0.00 0.38 -2.30 119.26 121.87 1smy h ALA 921 Ca 0.07 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1smy h ALA 921 Cb 0.77 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1smy h ALA 921 CO 0.06 0.30 0.32 0.35 0.00 0.00 0.00 179.25 180.28 1smy h PHE 922 N 0.84 0.00 -0.23 0.00 3.57 -0.88 0.89 116.94 121.12 1smy h PHE 922 Ca 0.22 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.59 1smy h PHE 922 Cb 0.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1smy h PHE 922 CO -0.01 0.00 -0.37 1.49 -2.23 0.00 0.00 178.31 177.19 1smy h GLU 923 N 0.00 0.66 0.69 1.11 4.57 -1.47 0.18 114.58 120.32 1smy h GLU 923 Ca 0.19 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 57.94 1smy h GLU 923 Cb 0.83 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1smy h GLU 923 CO -0.00 1.01 -0.33 0.28 -1.18 0.00 0.00 179.01 178.79 1smy h VAL 924 N 0.37 0.26 0.24 0.32 2.07 -0.84 0.61 116.25 119.27 1smy h VAL 924 Ca 0.02 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1smy h VAL 924 Cb 0.96 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1smy h VAL 924 CO 0.08 0.02 -0.25 0.22 0.02 0.00 0.00 177.57 177.66 1smy h TYR 925 N -1.04 -0.67 0.00 1.57 3.20 -1.18 -3.09 116.97 115.75 1smy h TYR 925 Ca -0.09 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.55 1smy h TYR 925 Cb 0.74 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 1smy h TYR 925 CO -0.01 -0.37 -1.45 0.35 -1.64 0.00 0.00 178.16 175.04 1smy h PHE 926 N -0.53 0.00 0.43 -3.82 3.57 -0.71 -3.33 116.94 112.55 1smy h PHE 926 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1smy h PHE 926 Cb 0.49 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1smy h PHE 926 CO -0.17 0.85 -0.38 0.78 -2.23 0.00 0.00 178.31 177.16 1smy h GLY 927 N 3.50 -0.91 1.04 2.40 0.00 0.20 -0.92 103.07 108.37 1smy h GLY 927 Ca -0.20 0.43 0.12 0.00 0.00 0.00 0.00 47.33 47.68 1smy h GLY 927 CO 0.08 -0.32 0.37 1.70 0.00 0.00 0.00 176.54 178.36 1smy h LYS 928 N -0.81 0.18 -0.30 4.80 1.63 -1.64 0.38 116.57 120.81 1smy h LYS 928 Ca -0.04 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 1smy h LYS 928 Cb 0.71 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1smy h LYS 928 CO -0.03 0.12 -0.01 0.00 -3.45 0.00 0.00 179.45 176.07 1smy h ARG 929 N 0.18 0.45 0.03 1.90 2.47 -1.32 0.53 114.38 118.62 1smy h ARG 929 Ca 0.25 -0.09 -0.27 0.00 -1.26 0.00 0.00 59.98 58.61 1smy h ARG 929 Cb 0.75 -0.07 0.02 0.00 -1.65 0.00 0.00 29.97 29.02 1smy h ARG 929 CO -0.04 0.49 -1.07 0.87 0.56 0.00 0.00 179.97 180.78 1smy h LYS 930 N 0.44 0.62 0.05 0.04 1.57 0.93 -2.84 116.57 117.38 1smy h LYS 930 Ca 0.10 -0.70 -0.27 0.00 -1.87 0.00 0.00 60.65 57.90 1smy h LYS 930 Cb 0.31 0.21 0.02 0.00 0.08 0.00 0.00 32.23 32.84 1smy h LYS 930 CO 0.01 1.29 -1.12 0.78 -0.57 0.00 0.00 179.45 179.84 1smy h GLY 931 N 0.60 0.68 1.96 3.86 0.00 -0.79 -3.21 103.07 106.17 1smy h GLY 931 Ca -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 47.33 45.90 1smy h GLY 931 CO 0.20 1.15 0.02 0.83 0.00 0.00 0.00 176.54 178.74 1smy h GLU 932 N 0.31 0.00 0.00 4.80 5.08 -0.08 -3.45 114.58 121.24 1smy h GLU 932 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1smy h GLU 932 Cb 1.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1smy h GLU 932 CO 0.21 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 1smy n GLY 933 N -1.20 0.70 3.25 -3.84 0.00 -1.21 -5.09 105.19 97.80 1smy n GLY 933 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1smy n GLY 933 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1smy s PHE 934 N -1.57 1.26 0.00 1.61 0.40 -1.07 -5.06 117.98 113.55 1smy s PHE 934 Ca 0.00 -1.10 0.00 0.00 -0.60 0.00 0.00 56.93 55.23 1smy s PHE 934 Cb 0.00 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.81 1smy s PHE 934 CO 0.00 -0.30 0.00 0.41 0.70 0.00 0.00 175.22 176.03 1smy n GLY 935 N -0.29 1.03 3.67 4.36 0.00 -1.26 -3.94 105.19 108.77 1smy n GLY 935 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1smy n GLY 935 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smy s VAL 936 N 3.24 4.10 0.90 1.61 -7.23 -1.26 -5.00 120.40 116.77 1smy s VAL 936 Ca 0.00 -0.64 -0.13 0.00 -1.81 0.00 0.00 61.98 59.40 1smy s VAL 936 Cb 0.00 -2.83 0.14 0.00 0.56 0.00 0.00 36.38 34.24 1smy s VAL 936 CO 0.00 0.36 1.17 -1.81 -0.31 0.00 0.00 175.10 174.52 1smy s ASP 937 N -1.59 3.63 0.25 4.85 1.11 -1.26 -4.93 116.67 118.72 1smy s ASP 937 Ca 0.20 0.80 0.10 0.00 0.18 0.00 0.00 52.55 53.83 1smy s ASP 937 Cb -0.11 -1.25 0.24 0.00 1.07 0.00 0.00 42.92 42.86 1smy s ASP 937 CO 0.10 -2.46 1.54 0.50 1.18 0.00 0.00 175.17 176.04 1smy h LYS 938 N -1.44 0.00 -0.01 8.23 3.64 -1.99 -2.55 116.57 122.45 1smy h LYS 938 Ca -0.48 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.75 1smy h LYS 938 Cb 1.32 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1smy h LYS 938 CO 0.59 0.69 -0.59 0.00 -2.27 0.00 0.00 179.45 177.86 1smy h ARG 939 N 0.00 0.42 -0.98 1.90 2.47 -1.98 -1.44 114.38 114.77 1smy h ARG 939 Ca -0.01 -0.44 0.08 0.00 -1.26 0.00 0.00 59.98 58.35 1smy h ARG 939 Cb 1.24 0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 29.62 1smy h ARG 939 CO 0.09 1.10 0.63 0.93 0.56 0.00 0.00 179.97 183.28 1smy h GLU 940 N -0.08 1.07 0.02 0.04 5.08 -1.91 0.25 114.58 119.04 1smy h GLU 940 Ca -0.07 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.01 1smy h GLU 940 Cb 1.30 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1smy h GLU 940 CO 0.12 0.71 -0.95 0.28 -1.00 0.00 0.00 179.01 178.16 1smy h VAL 941 N 1.10 1.47 0.30 3.13 2.07 -1.49 -2.93 116.25 119.90 1smy h VAL 941 Ca 0.44 -2.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.32 1smy h VAL 941 Cb 0.26 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1smy h VAL 941 CO -0.19 0.77 -0.23 -0.08 0.02 0.00 0.00 177.57 177.87 1smy h GLU 942 N 0.15 -0.51 -0.26 1.57 4.81 0.18 -1.68 114.58 118.84 1smy h GLU 942 Ca -0.07 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1smy h GLU 942 Cb 1.60 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.08 1smy h GLU 942 CO 0.15 -0.34 0.09 0.28 -0.73 0.00 0.00 179.01 178.46 1smy h VAL 943 N -0.53 1.12 -1.00 0.32 2.07 -0.71 -2.50 116.25 115.02 1smy h VAL 943 Ca -0.02 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1smy h VAL 943 Cb 0.46 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 1smy h VAL 943 CO -0.00 0.14 0.64 -0.07 0.02 0.00 0.00 177.57 178.30 1smy h LEU 944 N 0.37 1.04 0.87 2.57 3.38 -1.12 0.69 115.31 123.10 1smy h LEU 944 Ca 0.09 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1smy h LEU 944 Cb 0.10 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1smy h LEU 944 CO -0.01 0.67 -0.42 0.03 0.09 0.00 0.00 178.44 178.80 1smy h ARG 945 N 1.18 -1.13 0.00 1.13 3.08 -0.98 0.14 114.38 117.80 1smy h ARG 945 Ca 0.43 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1smy h ARG 945 Cb 0.15 0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1smy h ARG 945 CO -0.17 -0.75 0.09 -0.09 -1.07 0.00 0.00 179.97 177.99 1smy h ARG 946 N -1.28 0.00 0.00 0.04 2.43 -1.50 -0.62 114.38 113.44 1smy h ARG 946 Ca -0.12 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1smy h ARG 946 Cb 0.90 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1smy h ARG 946 CO 0.20 0.00 -0.09 0.00 -1.51 0.00 0.00 179.97 178.56 1smy h ALA 947 N 1.75 0.02 -0.68 2.80 0.00 0.30 -2.86 119.26 120.58 1smy h ALA 947 Ca 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1smy h ALA 947 Cb 0.19 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1smy h ALA 947 CO 0.00 0.05 0.17 1.05 0.00 0.00 0.00 179.25 180.52 1smy h GLU 948 N -1.00 1.09 -0.03 0.00 -0.00 0.53 -0.94 114.58 114.23 1smy h GLU 948 Ca -0.03 -0.26 0.01 0.00 -0.00 0.00 0.00 59.36 59.08 1smy h GLU 948 Cb 0.93 -0.14 -0.00 0.00 -0.00 0.00 0.00 28.75 29.54 1smy h GLU 948 CO -0.02 0.97 0.05 0.87 -0.00 0.00 0.00 179.01 180.88 1smy h LYS 949 N 1.02 0.00 0.09 1.06 1.57 -1.29 -1.17 116.57 117.84 1smy h LYS 949 Ca 0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1smy h LYS 949 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1smy h LYS 949 CO 0.00 0.00 -0.04 1.25 -0.57 0.00 0.00 179.45 180.09 1smy h LEU 950 N 0.00 -0.10 0.00 2.94 7.12 -0.98 -3.49 115.31 120.80 1smy h LEU 950 Ca 0.01 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 57.66 1smy h LEU 950 Cb 0.12 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 1smy h LEU 950 CO -0.00 0.54 0.00 0.61 -0.13 0.00 0.00 178.44 179.46 1smy n GLY 951 N 1.23 0.54 0.14 3.75 0.00 -0.44 -5.04 105.19 105.37 1smy n GLY 951 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1smy n GLY 951 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1smy h LEU 952 N 0.00 0.58 -8.69 0.99 -0.00 -1.74 -3.46 115.31 103.00 1smy h LEU 952 Ca 0.00 -0.93 -0.65 0.00 -0.00 0.00 0.00 57.88 56.30 1smy h LEU 952 Cb 0.00 -0.19 -0.24 0.00 -0.00 0.00 0.00 40.66 40.23 1smy h LEU 952 CO 0.00 1.78 -0.70 0.68 -0.00 0.00 0.00 178.44 180.20 1smy s VAL 953 N -2.56 3.62 -0.37 1.22 -7.23 -1.26 -4.80 120.40 109.02 1smy s VAL 953 Ca -0.17 -0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.27 1smy s VAL 953 Cb 0.05 -2.60 -0.08 0.00 0.56 0.00 0.00 36.38 34.32 1smy s VAL 953 CO 0.84 0.48 2.30 0.35 -0.31 0.00 0.00 175.10 178.76 1smy n THR 954 N 3.88 0.16 -1.24 5.32 -2.24 -1.26 -4.48 114.28 114.43 1smy n THR 954 Ca -0.18 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.74 1smy n THR 954 Cb 0.52 -2.32 0.06 0.00 -2.10 0.00 0.00 70.33 66.49 1smy n THR 954 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1smy n PRO 955 N 8.70 0.24 0.00 -0.78 -0.02 -1.26 -3.37 135.00 138.51 1smy n PRO 955 Ca 0.37 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1smy n PRO 955 Cb 0.41 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1smy n PRO 955 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 956 N 1.86 2.57 3.31 -1.23 0.00 -1.26 -5.03 105.19 105.41 1smy n GLY 956 Ca 0.09 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1smy n GLY 956 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1smy n LYS 957 N 0.00 -0.27 -2.39 1.61 5.02 -1.22 -4.95 118.16 115.97 1smy n LYS 957 Ca 0.00 -0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.87 1smy n LYS 957 Cb 0.00 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 1smy n LYS 957 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1smy s THR 958 N -2.29 3.37 0.27 -0.18 -1.32 -1.26 -4.74 115.64 109.49 1smy s THR 958 Ca 0.53 1.10 -0.03 0.00 -1.21 0.00 0.00 61.69 62.08 1smy s THR 958 Cb -0.20 -3.59 0.33 0.00 -1.51 0.00 0.00 72.50 67.53 1smy s THR 958 CO 0.71 0.05 1.62 -0.65 -2.21 0.00 0.00 174.62 174.14 1smy h PRO 959 N 2.53 0.09 0.11 7.08 0.11 -1.98 1.15 132.00 141.10 1smy h PRO 959 Ca -0.49 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1smy h PRO 959 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1smy h PRO 959 CO 0.62 0.06 -0.14 1.49 -0.21 0.00 0.00 178.00 179.82 1smy h GLU 960 N 0.10 -0.29 -0.72 1.05 4.57 -2.00 0.13 114.58 117.42 1smy h GLU 960 Ca 0.50 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.69 1smy h GLU 960 Cb 0.95 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.57 1smy h GLU 960 CO -0.75 -0.19 0.44 0.93 -1.18 0.00 0.00 179.01 178.26 1smy h GLU 961 N -0.30 0.97 -0.09 1.92 4.39 -0.56 -2.67 114.58 118.25 1smy h GLU 961 Ca 0.01 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1smy h GLU 961 Cb 0.30 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1smy h GLU 961 CO -0.06 0.67 0.01 1.96 -1.16 0.00 0.00 179.01 180.44 1smy h GLN 962 N 0.99 0.15 -0.80 2.33 4.20 0.16 -2.77 115.11 119.37 1smy h GLN 962 Ca 0.26 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.97 1smy h GLN 962 Cb -0.05 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 1smy h GLN 962 CO -0.05 0.36 0.50 -0.07 -0.67 0.00 0.00 178.83 178.91 1smy h LEU 963 N -0.09 0.83 -0.01 1.46 -0.00 -0.83 0.19 115.31 116.86 1smy h LEU 963 Ca 0.03 -0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.94 1smy h LEU 963 Cb 0.29 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.73 1smy h LEU 963 CO 0.00 0.56 -0.20 0.50 -0.00 0.00 0.00 178.44 179.30 1smy h LYS 964 N 0.97 -0.31 -0.13 1.13 3.64 -1.39 1.07 116.57 121.54 1smy h LYS 964 Ca 0.32 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.77 1smy h LYS 964 Cb 0.04 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1smy h LYS 964 CO -0.12 -0.21 -0.22 0.93 -2.27 0.00 0.00 179.45 177.56 1smy h GLU 965 N -0.32 -0.27 -0.07 1.90 5.08 -1.17 0.16 114.58 119.88 1smy h GLU 965 Ca 0.06 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1smy h GLU 965 Cb 0.40 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1smy h GLU 965 CO -0.19 -0.18 0.05 1.25 -1.00 0.00 0.00 179.01 178.94 1smy h LEU 966 N -0.28 0.00 0.13 1.33 5.85 -0.16 -1.86 115.31 120.32 1smy h LEU 966 Ca 0.10 -0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.59 1smy h LEU 966 Cb 0.43 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.48 1smy h LEU 966 CO -0.30 0.00 -0.99 0.15 -0.34 0.00 0.00 178.44 176.97 1smy h PHE 967 N 0.00 0.75 -0.28 1.25 3.57 0.21 -3.15 116.94 119.29 1smy h PHE 967 Ca 0.03 -0.50 0.08 0.00 3.53 0.00 0.00 57.97 61.12 1smy h PHE 967 Cb 0.14 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1smy h PHE 967 CO -0.00 1.36 0.30 -0.07 -2.23 0.00 0.00 178.31 177.68 1smy h LEU 968 N -0.07 0.00 0.00 0.59 3.38 0.06 0.33 115.31 119.60 1smy h LEU 968 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1smy h LEU 968 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1smy h LEU 968 CO 0.19 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1smy n GLN 969 N -3.78 0.36 -0.06 1.13 6.02 -0.87 -4.77 117.38 115.41 1smy n GLN 969 Ca 0.04 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1smy n GLN 969 Cb 0.45 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1smy n GLN 969 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1smy n GLY 970 N 0.93 0.86 3.69 1.08 0.00 0.12 -5.01 105.19 106.85 1smy n GLY 970 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1smy n GLY 970 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smy s LYS 971 N -0.70 2.43 0.24 1.61 1.02 -1.21 -3.31 119.74 119.82 1smy s LYS 971 Ca 0.00 -1.36 -0.09 0.00 0.02 0.00 0.00 55.97 54.54 1smy s LYS 971 Cb 0.00 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 35.05 1smy s LYS 971 CO 0.00 0.34 0.38 0.14 -0.92 0.00 0.00 175.35 175.28 1smy s VAL 972 N -2.30 0.00 -0.13 3.17 -7.23 -0.38 -3.40 120.40 110.13 1smy s VAL 972 Ca 0.33 -1.59 -0.25 0.00 -1.81 0.00 0.00 61.98 58.66 1smy s VAL 972 Cb -0.06 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1smy s VAL 972 CO 0.21 0.00 0.79 -0.69 -0.31 0.00 0.00 175.10 175.10 1smy s VAL 973 N -4.01 4.94 0.09 1.32 1.01 -1.26 -0.78 120.40 121.69 1smy s VAL 973 Ca 0.28 1.58 0.07 0.00 0.00 0.00 0.00 61.98 63.91 1smy s VAL 973 Cb 0.02 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1smy s VAL 973 CO 0.10 0.11 -0.14 -0.76 0.00 0.00 0.00 175.10 174.41 1smy s LEU 974 N 1.67 2.84 -0.19 3.92 1.02 -1.26 -4.19 118.68 122.49 1smy s LEU 974 Ca 0.38 -0.43 -0.06 0.00 0.02 0.00 0.00 54.13 54.04 1smy s LEU 974 Cb -0.17 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 1smy s LEU 974 CO 0.15 0.20 0.03 -0.31 0.02 0.00 0.00 176.35 176.44 1smy s TYR 975 N -1.11 3.13 -0.40 0.29 1.51 -0.05 -1.51 117.35 119.21 1smy s TYR 975 Ca 0.18 -0.18 -0.27 0.00 -1.01 0.00 0.00 57.07 55.79 1smy s TYR 975 Cb -0.11 -2.07 -0.05 0.00 -0.11 0.00 0.00 41.96 39.62 1smy s TYR 975 CO 0.10 -0.03 2.22 0.34 -1.11 0.00 0.00 175.55 177.07 1smy s ASP 976 N 0.65 5.02 0.00 2.29 -1.08 -0.25 -2.15 116.67 121.16 1smy s ASP 976 Ca 0.01 1.29 0.00 0.00 -0.52 0.00 0.00 52.55 53.33 1smy s ASP 976 Cb -0.14 -2.51 0.01 0.00 -1.46 0.00 0.00 42.92 38.82 1smy s ASP 976 CO 0.02 -2.39 0.80 0.61 0.52 0.00 0.00 175.17 174.72 1smy n GLY 977 N 5.83 -0.29 0.13 2.66 0.00 -1.16 -0.37 105.19 111.99 1smy n GLY 977 Ca 0.31 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 1smy n GLY 977 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1smy h ARG 978 N 0.00 0.26 0.00 1.61 3.08 -1.75 -3.37 114.38 114.22 1smy h ARG 978 Ca 0.00 -0.45 -0.14 0.00 0.07 0.00 0.00 59.98 59.46 1smy h ARG 978 Cb 0.42 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1smy h ARG 978 CO 0.00 1.15 -1.52 -2.37 -1.07 0.00 0.00 179.97 176.16 1smy n THR 979 N -3.46 0.52 0.00 2.04 5.66 -0.06 -5.01 114.28 113.97 1smy n THR 979 Ca -0.28 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 1smy n THR 979 Cb 1.05 -0.81 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 1smy n THR 979 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1smy n GLY 980 N 2.64 0.81 3.83 1.09 0.00 0.51 -5.04 105.19 109.03 1smy n GLY 980 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1smy n GLY 980 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1smy s GLU 981 N -0.94 2.90 0.62 1.61 8.01 -1.26 -4.73 118.70 124.91 1smy s GLU 981 Ca 0.00 0.88 -0.04 0.00 0.01 0.00 0.00 54.97 55.82 1smy s GLU 981 Cb 0.00 -1.99 0.04 0.00 -4.31 0.00 0.00 34.13 27.87 1smy s GLU 981 CO 0.00 -1.10 0.90 -1.25 0.01 0.00 0.00 175.26 173.82 1smy s PRO 982 N -5.08 2.46 -0.60 0.39 0.04 -1.26 -1.09 135.00 129.86 1smy s PRO 982 Ca 0.58 -0.40 -0.17 0.00 0.04 0.00 0.00 61.00 61.05 1smy s PRO 982 Cb -0.14 -2.31 0.13 0.00 0.04 0.00 0.00 34.50 32.22 1smy s PRO 982 CO 0.55 -0.94 0.63 0.42 0.04 0.00 0.00 177.00 177.70 1smy s ILE 983 N -3.01 5.07 -0.57 0.56 1.01 -0.57 -4.76 121.20 118.92 1smy s ILE 983 Ca 0.58 -1.38 -0.42 0.00 0.00 0.00 0.00 60.65 59.43 1smy s ILE 983 Cb -0.11 -4.43 -0.19 0.00 0.01 0.00 0.00 42.46 37.74 1smy s ILE 983 CO 0.42 -1.01 2.22 -1.84 0.00 0.00 0.00 174.94 174.73 1smy n GLU 984 N 5.63 0.00 0.00 2.79 0.00 -1.26 -4.46 120.64 123.35 1smy n GLU 984 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1smy n GLU 984 Cb 0.42 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.36 1smy n GLU 984 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1smy n GLY 985 N 7.35 2.46 3.59 -1.84 0.00 -1.26 -5.05 105.19 110.44 1smy n GLY 985 Ca 0.57 -1.05 -0.51 0.00 0.00 0.00 0.00 46.02 45.03 1smy n GLY 985 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1smy n PRO 986 N 0.93 1.22 -4.70 1.61 -0.02 -1.26 -4.88 135.00 127.90 1smy n PRO 986 Ca 0.00 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.61 1smy n PRO 986 Cb 0.00 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.25 1smy n PRO 986 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1smy s ILE 987 N 0.38 1.91 0.54 4.25 1.01 0.04 -4.77 121.20 124.57 1smy s ILE 987 Ca 0.82 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 1smy s ILE 987 Cb -0.91 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 1smy s ILE 987 CO 0.47 0.52 1.18 0.54 0.00 0.00 0.00 174.94 177.66 1smy s VAL 988 N 0.78 2.87 0.08 2.92 0.11 -1.26 -1.25 120.40 124.67 1smy s VAL 988 Ca -0.09 0.58 -0.16 0.00 -2.93 0.00 0.00 61.98 59.38 1smy s VAL 988 Cb -0.16 -3.25 0.03 0.00 -1.53 0.00 0.00 36.38 31.47 1smy s VAL 988 CO -0.00 -0.09 0.37 0.68 -3.33 0.00 0.00 175.10 172.74 1smy s VAL 989 N -1.62 0.07 -1.31 2.04 -7.23 -1.21 -3.18 120.40 107.96 1smy s VAL 989 Ca 0.72 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1smy s VAL 989 Cb -0.29 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1smy s VAL 989 CO 0.32 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1smy n GLY 990 N 0.13 -1.50 3.53 2.32 0.00 -0.44 -4.51 105.19 104.70 1smy n GLY 990 Ca -0.17 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 1smy n GLY 990 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1smy s GLN 991 N -1.64 3.34 -0.12 1.61 -0.21 -1.22 -0.74 119.66 120.68 1smy s GLN 991 Ca 0.00 -0.23 0.03 0.00 0.02 0.00 0.00 55.36 55.18 1smy s GLN 991 Cb 0.00 -4.05 0.00 0.00 1.00 0.00 0.00 33.01 29.96 1smy s GLN 991 CO 0.00 -1.50 -0.21 1.41 -2.12 0.00 0.00 175.29 172.86 1smy s MET 992 N 4.03 3.09 0.00 2.91 1.75 -1.13 -4.26 119.30 125.69 1smy s MET 992 Ca 0.31 -0.84 -0.30 0.00 -1.25 0.00 0.00 55.69 53.61 1smy s MET 992 Cb -0.12 -2.41 -0.05 0.00 2.84 0.00 0.00 34.83 35.09 1smy s MET 992 CO 0.20 0.10 1.32 0.12 -0.65 0.00 0.00 175.02 176.11 1smy s PHE 993 N 0.54 3.06 0.01 4.11 2.19 -1.26 -2.80 117.98 123.82 1smy s PHE 993 Ca -0.13 1.00 0.02 0.00 0.33 0.00 0.00 56.93 58.15 1smy s PHE 993 Cb -0.17 -3.57 -0.01 0.00 -1.31 0.00 0.00 43.02 37.96 1smy s PHE 993 CO 0.04 -1.98 -0.07 0.42 1.83 0.00 0.00 175.22 175.47 1smy s ILE 994 N 2.05 0.50 0.27 3.12 1.01 -1.17 -4.46 121.20 122.52 1smy s ILE 994 Ca 0.61 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.86 1smy s ILE 994 Cb -0.30 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1smy s ILE 994 CO 0.26 -0.02 -0.01 -0.04 0.00 0.00 0.00 174.94 175.14 1smy s MET 995 N -0.56 2.25 -0.15 2.79 -1.94 -1.18 -0.90 119.30 119.61 1smy s MET 995 Ca -0.01 -1.46 -0.06 0.00 -1.71 0.00 0.00 55.69 52.45 1smy s MET 995 Cb -0.05 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.63 1smy s MET 995 CO 0.00 0.34 0.07 0.21 -0.01 0.00 0.00 175.02 175.62 1smy s LYS 996 N -3.68 3.65 0.11 2.03 2.20 -1.26 -1.93 119.74 120.88 1smy s LYS 996 Ca 0.32 -0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.51 1smy s LYS 996 Cb -0.06 -3.12 -0.06 0.00 -1.51 0.00 0.00 37.83 33.08 1smy s LYS 996 CO 0.20 0.47 0.45 -0.51 -0.36 0.00 0.00 175.35 175.60 1smy s LEU 997 N -0.20 4.33 0.63 5.43 1.43 0.87 -2.63 118.68 128.55 1smy s LEU 997 Ca 0.08 0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 53.87 1smy s LEU 997 Cb -0.12 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 1smy s LEU 997 CO 0.01 0.13 1.30 -0.47 0.23 0.00 0.00 176.35 177.56 1smy s TYR 998 N -1.45 2.11 -0.38 0.29 5.04 -0.78 -4.67 117.35 117.50 1smy s TYR 998 Ca 0.35 1.46 -0.14 0.00 -2.44 0.00 0.00 57.07 56.31 1smy s TYR 998 Cb -0.14 -3.71 0.01 0.00 0.35 0.00 0.00 41.96 38.46 1smy s TYR 998 CO 0.19 -2.92 0.28 -1.01 -1.34 0.00 0.00 175.55 170.74 1smy s HIS 999 N -1.38 3.24 0.76 4.97 3.76 -1.26 -5.00 115.29 120.38 1smy s HIS 999 Ca 0.81 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 55.15 1smy s HIS 999 Cb -0.38 -2.55 0.05 0.00 1.11 0.00 0.00 32.58 30.81 1smy s HIS 999 CO 0.41 -0.51 1.08 1.41 -0.85 0.00 0.00 174.74 176.28 1smy s MET 1000N 1.69 2.41 0.30 1.40 1.75 -1.26 -4.90 119.30 120.70 1smy s MET 1000Ca 0.05 0.74 0.21 0.00 -1.25 0.00 0.00 55.69 55.44 1smy s MET 1000Cb -0.18 -1.95 1.11 0.00 2.84 0.00 0.00 34.83 36.65 1smy s MET 1000CO 0.10 -1.41 1.63 1.33 -0.65 0.00 0.00 175.02 176.02 1smy n VAL 1001N -3.31 1.07 0.15 10.11 0.24 -1.26 -1.31 118.33 124.03 1smy n VAL 1001Ca 0.07 0.70 0.01 0.00 -2.04 0.00 0.00 64.34 63.08 1smy n VAL 1001Cb 0.55 -1.70 0.23 0.00 -1.47 0.00 0.00 33.84 31.46 1smy n VAL 1001CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1smy h GLU 1002N 0.00 0.00 0.00 7.34 -0.00 -2.03 -2.81 114.58 117.08 1smy h GLU 1002Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1smy h GLU 1002Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.77 1smy h GLU 1002CO 0.00 0.53 -0.04 0.38 -0.00 0.00 0.00 179.01 179.88 1smy h ASP 1003N 0.00 0.00 -1.06 3.06 2.03 -1.55 -3.39 116.42 115.51 1smy h ASP 1003Ca -0.01 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.03 1smy h ASP 1003Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 1smy h ASP 1003CO 0.07 0.04 0.91 -0.75 -1.03 0.00 0.00 179.24 178.48 1smy s LYS 1004N -4.35 1.90 -0.96 4.15 2.20 -1.06 -4.77 119.74 116.85 1smy s LYS 1004Ca -0.04 0.94 -0.24 0.00 -0.36 0.00 0.00 55.97 56.27 1smy s LYS 1004Cb 0.14 -4.68 -0.24 0.00 -1.51 0.00 0.00 37.83 31.54 1smy s LYS 1004CO 0.54 -3.78 2.51 -0.12 -0.36 0.00 0.00 175.35 174.14 1smy n MET 1005N 8.93 0.10 -2.15 4.03 0.00 -1.26 -4.89 117.12 121.88 1smy n MET 1005Ca 0.41 -0.03 -0.34 0.00 -0.00 0.00 0.00 57.70 57.74 1smy n MET 1005Cb 0.50 -1.57 0.01 0.00 0.00 0.00 0.00 33.22 32.15 1smy n MET 1005CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1smy s HIS 1006N 6.83 2.82 -0.30 1.12 0.09 -1.26 -4.94 115.29 119.64 1smy s HIS 1006Ca 1.31 1.54 -0.11 0.00 -0.00 0.00 0.00 55.06 57.80 1smy s HIS 1006Cb -1.02 -3.13 0.18 0.00 -0.00 0.00 0.00 32.58 28.61 1smy s HIS 1006CO 0.48 -1.31 1.01 0.00 -0.00 0.00 0.00 174.74 174.92 1smy s ALA 1007N -2.14 -3.69 -0.10 -1.40 0.00 -1.26 -5.15 121.76 108.03 1smy s ALA 1007Ca 0.68 1.37 -0.03 0.00 0.00 0.00 0.00 51.96 53.98 1smy s ALA 1007Cb -0.19 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 1smy s ALA 1007CO 0.32 -1.83 0.02 0.50 0.00 0.00 0.00 175.76 174.77 1smy s ARG 1008N 2.95 3.12 -0.09 0.00 3.52 -1.26 -4.67 118.95 122.52 1smy s ARG 1008Ca 0.16 -0.37 -0.08 0.00 -0.13 0.00 0.00 55.73 55.32 1smy s ARG 1008Cb -0.06 -2.88 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 1smy s ARG 1008CO -0.19 0.68 -0.17 0.45 -0.81 0.00 0.00 175.30 175.26 1smy n SER 1009N 2.23 1.18 -3.64 -2.12 2.88 -1.26 -5.05 113.62 107.83 1smy n SER 1009Ca -0.19 0.19 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1smy n SER 1009Cb 0.54 -0.45 -0.08 0.00 -0.75 0.00 0.00 64.21 63.47 1smy n SER 1009CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1smy s THR 1010N -2.32 0.00 0.00 2.46 2.01 -1.26 -5.17 115.64 111.36 1smy s THR 1010Ca -0.17 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1smy s THR 1010Cb 0.05 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.65 1smy s THR 1010CO 0.22 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1smy n GLY 1011N 2.54 2.90 3.70 4.40 0.00 -1.26 -4.99 105.19 112.47 1smy n GLY 1011Ca -0.14 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1smy n GLY 1011CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1smy s PRO 1012N 3.64 -0.36 -0.16 1.61 0.02 -1.24 -4.95 135.00 133.57 1smy s PRO 1012Ca 0.00 -0.02 -0.10 0.00 0.02 0.00 0.00 61.00 60.89 1smy s PRO 1012Cb 0.00 -1.69 0.05 0.00 0.02 0.00 0.00 34.50 32.88 1smy s PRO 1012CO 0.00 -3.15 0.39 0.71 -0.33 0.00 0.00 177.00 174.62 1smy s TYR 1013N -3.21 -0.52 0.87 6.54 2.02 -1.26 -2.78 117.35 118.99 1smy s TYR 1013Ca 0.70 1.17 -0.15 0.00 -0.37 0.00 0.00 57.07 58.42 1smy s TYR 1013Cb -0.10 0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.63 1smy s TYR 1013CO 0.55 -0.29 0.14 0.45 -1.57 0.00 0.00 175.55 174.83 1smy n SER 1014N 3.82 -2.81 0.20 2.29 2.88 -1.12 -4.92 113.62 113.96 1smy n SER 1014Ca -0.20 0.39 -0.09 0.00 -1.33 0.00 0.00 58.87 57.64 1smy n SER 1014Cb 0.56 -1.09 -0.04 0.00 -0.75 0.00 0.00 64.21 62.89 1smy n SER 1014CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1smy h LEU 1015N -0.99 -0.48 0.00 2.46 6.46 -2.00 -3.42 115.31 117.34 1smy h LEU 1015Ca -0.44 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 1smy h LEU 1015Cb 1.32 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.37 1smy h LEU 1015CO 0.35 -0.14 0.00 -0.38 -0.62 0.00 0.00 178.44 177.64 1smy n ILE 1016N -4.61 0.00 -1.81 4.05 2.08 -1.26 -4.74 119.36 113.07 1smy n ILE 1016Ca -0.07 0.29 -0.39 0.00 0.56 0.00 0.00 62.75 63.14 1smy n ILE 1016Cb 0.22 -0.82 0.03 0.00 -0.75 0.00 0.00 39.64 38.32 1smy n ILE 1016CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1smy s THR 1017N -0.05 2.12 -0.68 1.39 -4.23 -1.26 -4.89 115.64 108.05 1smy s THR 1017Ca 0.00 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1smy s THR 1017Cb 0.00 -3.05 0.38 0.00 1.34 0.00 0.00 72.50 71.17 1smy s THR 1017CO 0.00 0.00 2.07 0.00 -0.54 0.00 0.00 174.62 176.16 1smy n GLN 1018N -0.82 2.61 -3.76 3.99 1.13 -1.26 -4.14 117.38 115.13 1smy n GLN 1018Ca 0.09 -3.15 -0.35 0.00 -1.94 0.00 0.00 57.00 51.64 1smy n GLN 1018Cb 0.44 -2.22 -0.05 0.00 0.11 0.00 0.00 30.24 28.52 1smy n GLN 1018CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1smy s GLN 1019N -3.61 3.59 0.92 -1.09 -0.21 -1.25 -4.17 119.66 113.83 1smy s GLN 1019Ca 0.58 -0.04 -0.16 0.00 0.02 0.00 0.00 55.36 55.75 1smy s GLN 1019Cb 0.46 -3.12 -0.12 0.00 1.00 0.00 0.00 33.01 31.24 1smy s GLN 1019CO -0.14 0.68 -0.47 -2.30 -2.12 0.00 0.00 175.29 170.94 1smy n PRO 1020N 1.36 -0.03 -3.63 2.91 -0.02 -1.26 -2.80 135.00 131.53 1smy n PRO 1020Ca -0.13 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.23 1smy n PRO 1020Cb 0.53 -1.18 -0.07 0.00 -0.02 0.00 0.00 33.50 32.77 1smy n PRO 1020CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1smy s LEU 1021N 5.79 -0.80 0.00 2.45 2.96 -1.12 -4.62 118.68 123.35 1smy s LEU 1021Ca 0.46 1.46 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1smy s LEU 1021Cb -0.23 2.44 0.00 0.00 0.50 0.00 0.00 46.19 48.90 1smy s LEU 1021CO 0.77 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 176.17 1smy n GLY 1022N 3.10 1.64 0.00 7.98 0.00 -1.26 -3.64 105.19 113.01 1smy n GLY 1022Ca -0.16 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1smy n GLY 1022CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smy n GLY 1023N 5.00 -1.00 0.07 -0.02 0.00 -0.90 -4.86 105.19 103.47 1smy n GLY 1023Ca 0.00 0.64 -0.07 0.00 0.00 0.00 0.00 46.02 46.58 1smy n GLY 1023CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smy h LYS 1024N 0.00 0.00 0.00 1.61 1.57 -2.00 -3.46 116.57 114.29 1smy h LYS 1024Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1smy h LYS 1024Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1smy h LYS 1024CO 0.00 0.36 -0.46 0.00 -0.57 0.00 0.00 179.45 178.79 1smy n ALA 1025N -3.05 1.09 -1.98 3.86 0.00 -1.26 -4.85 120.51 114.33 1smy n ALA 1025Ca -0.09 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 1smy n ALA 1025Cb 0.27 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 1smy n ALA 1025CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1smy s GLN 1026N -2.01 4.22 0.61 0.00 -0.21 -1.26 -4.56 119.66 116.45 1smy s GLN 1026Ca -0.13 2.28 -0.19 0.00 0.02 0.00 0.00 55.36 57.34 1smy s GLN 1026Cb 0.02 -3.48 -0.02 0.00 1.00 0.00 0.00 33.01 30.52 1smy s GLN 1026CO 0.20 -0.67 1.32 -0.06 -2.12 0.00 0.00 175.29 173.96 1smy s PHE 1027N 2.21 2.15 0.60 0.91 0.08 -1.26 -2.12 117.98 120.54 1smy s PHE 1027Ca 0.71 1.44 -0.14 0.00 0.12 0.00 0.00 56.93 59.06 1smy s PHE 1027Cb -0.39 -3.74 -0.03 0.00 -0.57 0.00 0.00 43.02 38.28 1smy s PHE 1027CO 0.31 -2.94 1.04 0.20 -0.10 0.00 0.00 175.22 173.73 1smy s GLY 1028N -1.22 1.97 0.44 4.36 0.00 -1.26 -4.23 107.32 107.38 1smy s GLY 1028Ca 0.79 0.24 -0.22 0.00 0.00 0.00 0.00 44.72 45.53 1smy s GLY 1028CO 0.43 0.55 1.05 -0.32 0.00 0.00 0.00 173.10 174.81 1smy s GLY 1029N -3.18 2.64 0.50 0.20 0.00 -1.26 -4.61 107.32 101.61 1smy s GLY 1029Ca 0.61 0.68 -0.20 0.00 0.00 0.00 0.00 44.72 45.80 1smy s GLY 1029CO 0.41 1.06 1.10 1.62 0.00 0.00 0.00 173.10 177.29 1smy s GLN 1030N -2.84 3.62 -0.14 2.90 2.00 -1.26 -4.96 119.66 118.98 1smy s GLN 1030Ca 0.62 1.54 -0.26 0.00 -2.00 0.00 0.00 55.36 55.26 1smy s GLN 1030Cb -0.20 -2.12 -0.02 0.00 0.80 0.00 0.00 33.01 31.47 1smy s GLN 1030CO 0.25 -0.62 0.87 1.03 -0.50 0.00 0.00 175.29 176.32 1smy s ARG 1031N -3.14 4.35 -0.69 1.67 0.52 -1.26 -5.01 118.95 115.39 1smy s ARG 1031Ca 0.69 1.11 -0.07 0.00 -0.52 0.00 0.00 55.73 56.94 1smy s ARG 1031Cb -0.22 -3.55 0.18 0.00 0.52 0.00 0.00 34.95 31.88 1smy s ARG 1031CO 0.25 -0.28 0.55 0.12 0.02 0.00 0.00 175.30 175.97 1smy s PHE 1032N 1.95 3.52 0.63 -0.53 5.36 -1.26 -5.07 117.98 122.57 1smy s PHE 1032Ca 0.41 -2.48 -0.03 0.00 -0.96 0.00 0.00 56.93 53.88 1smy s PHE 1032Cb -0.17 -3.40 0.05 0.00 -0.34 0.00 0.00 43.02 39.15 1smy s PHE 1032CO 0.15 -0.89 0.90 0.20 -1.46 0.00 0.00 175.22 174.11 1smy s GLY 1033N 1.17 1.75 0.20 13.12 0.00 -1.26 -4.84 107.32 117.46 1smy s GLY 1033Ca 0.17 -1.10 -0.15 0.00 0.00 0.00 0.00 44.72 43.64 1smy s GLY 1033CO -0.05 -0.76 1.63 1.05 0.00 0.00 0.00 173.10 174.97 1smy h GLU 1034N -0.26 -0.01 -0.98 2.90 4.11 -1.97 0.17 114.58 118.54 1smy h GLU 1034Ca -0.43 0.00 0.21 0.00 0.07 0.00 0.00 59.36 59.21 1smy h GLU 1034Cb 1.30 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.47 1smy h GLU 1034CO 0.57 -0.01 0.62 0.52 0.07 0.00 0.00 179.01 180.78 1smy h MET 1035N -0.01 0.53 0.22 1.06 2.86 -1.99 0.42 114.93 118.03 1smy h MET 1035Ca 0.28 -0.03 -0.32 0.00 -2.06 0.00 0.00 59.70 57.56 1smy h MET 1035Cb 0.43 -0.12 0.03 0.00 0.06 0.00 0.00 31.60 32.00 1smy h MET 1035CO -0.60 0.35 -1.42 0.93 1.06 0.00 0.00 176.91 177.22 1smy h GLU 1036N 0.54 0.47 -0.40 1.72 3.07 -1.54 -2.16 114.58 116.28 1smy h GLU 1036Ca 0.54 -0.81 0.08 0.00 -0.50 0.00 0.00 59.36 58.67 1smy h GLU 1036Cb 1.15 0.30 -0.07 0.00 -0.84 0.00 0.00 28.75 29.29 1smy h GLU 1036CO -0.29 1.39 -0.05 0.28 -1.40 0.00 0.00 179.01 178.94 1smy h VAL 1037N 0.13 0.65 -0.04 3.13 2.07 0.24 -0.42 116.25 122.00 1smy h VAL 1037Ca -0.23 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1smy h VAL 1037Cb 2.12 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 1smy h VAL 1037CO 0.26 0.01 -0.17 -0.50 0.02 0.00 0.00 177.57 177.19 1smy h TRP 1038N 0.05 -0.43 -0.90 1.57 6.55 -0.39 0.33 115.95 122.72 1smy h TRP 1038Ca 0.19 0.02 0.23 0.00 0.95 0.00 0.00 58.89 60.28 1smy h TRP 1038Cb 0.29 0.20 -0.16 0.00 -0.86 0.00 0.00 29.16 28.63 1smy h TRP 1038CO -0.31 -0.24 0.02 0.00 -1.05 0.00 0.00 178.44 176.86 1smy h ALA 1039N 0.71 1.02 -0.07 1.49 0.00 -0.48 0.90 119.26 122.83 1smy h ALA 1039Ca 0.07 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1smy h ALA 1039Cb 0.35 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1smy h ALA 1039CO -0.19 -0.50 -0.05 -0.07 0.00 0.00 0.00 179.25 178.44 1smy h LEU 1040N 0.06 0.16 -0.88 0.00 4.07 -0.23 -3.07 115.31 115.42 1smy h LEU 1040Ca 0.53 -0.45 0.21 0.00 0.08 0.00 0.00 57.88 58.25 1smy h LEU 1040Cb 1.02 -0.04 -0.12 0.00 1.08 0.00 0.00 40.66 42.59 1smy h LEU 1040CO -0.82 0.58 0.37 -0.33 -1.08 0.00 0.00 178.44 177.16 1smy h GLU 1041N -0.26 0.38 -0.05 1.13 5.08 0.42 0.60 114.58 121.87 1smy h GLU 1041Ca 0.01 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1smy h GLU 1041Cb 0.53 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1smy h GLU 1041CO 0.01 0.25 -0.30 0.00 -1.00 0.00 0.00 179.01 177.97 1smy h ALA 1042N 1.70 -0.39 -2.14 3.43 0.00 0.57 -3.42 119.26 119.01 1smy h ALA 1042Ca 0.54 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 55.03 1smy h ALA 1042Cb 1.02 0.54 0.19 0.00 0.00 0.00 0.00 17.79 19.55 1smy h ALA 1042CO -0.53 -0.79 0.08 0.71 0.00 0.00 0.00 179.25 178.71 1smy s TYR 1043N -6.02 0.96 -0.33 0.00 1.51 0.20 -4.88 117.35 108.79 1smy s TYR 1043Ca -0.15 0.79 0.03 0.00 -1.01 0.00 0.00 57.07 56.73 1smy s TYR 1043Cb 0.10 -3.22 0.36 0.00 -0.11 0.00 0.00 41.96 39.09 1smy s TYR 1043CO 0.66 -3.82 1.38 0.41 -1.11 0.00 0.00 175.55 173.07 1smy n GLY 1044N -0.19 3.01 3.14 0.71 0.00 -1.26 -4.74 105.19 105.85 1smy n GLY 1044Ca 0.08 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 1smy n GLY 1044CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smy n ALA 1045N -0.16 3.81 -0.23 4.61 0.00 -1.25 -4.74 120.51 122.54 1smy n ALA 1045Ca 0.26 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 50.17 1smy n ALA 1045Cb 1.01 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.88 1smy n ALA 1045CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smy n ALA 1046N 8.30 -0.21 -0.27 0.00 0.00 -1.26 -2.88 120.51 124.20 1smy n ALA 1046Ca 0.50 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.97 1smy n ALA 1046Cb 0.42 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.04 1smy n ALA 1046CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1smy h HIS 1047N 0.00 0.71 -0.89 0.00 3.86 -2.00 0.75 115.15 117.58 1smy h HIS 1047Ca 0.00 0.03 0.15 0.00 -1.16 0.00 0.00 60.37 59.39 1smy h HIS 1047Cb 0.00 -0.20 -0.09 0.00 1.06 0.00 0.00 27.41 28.18 1smy h HIS 1047CO 0.09 0.23 0.49 1.15 0.86 0.00 0.00 177.93 180.76 1smy h THR 1048N 0.64 0.76 -0.32 2.45 2.02 -1.94 0.18 112.91 116.70 1smy h THR 1048Ca 0.39 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 67.22 1smy h THR 1048Cb 0.45 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1smy h THR 1048CO -0.30 0.13 -0.27 0.25 0.37 0.00 0.00 175.52 175.70 1smy h LEU 1049N 0.71 0.67 -0.16 2.58 5.85 -0.73 -2.90 115.31 121.32 1smy h LEU 1049Ca 0.48 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1smy h LEU 1049Cb 0.65 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1smy h LEU 1049CO -0.34 0.91 0.04 -0.61 -0.34 0.00 0.00 178.44 178.10 1smy h GLN 1050N 0.56 0.26 -0.80 1.25 4.15 -0.02 -2.84 115.11 117.67 1smy h GLN 1050Ca 0.07 -0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.56 1smy h GLN 1050Cb 0.76 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.32 1smy h GLN 1050CO 0.06 0.40 0.39 0.93 -1.93 0.00 0.00 178.83 178.68 1smy h GLU 1051N 0.07 0.56 0.00 1.69 5.08 -0.87 0.60 114.58 121.72 1smy h GLU 1051Ca 0.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1smy h GLU 1051Cb 0.25 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1smy h GLU 1051CO 0.00 0.37 -0.02 1.98 -1.00 0.00 0.00 179.01 180.34 1smy h MET 1052N 0.58 0.00 0.00 2.33 4.05 -1.31 0.65 114.93 121.24 1smy h MET 1052Ca 0.42 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.84 1smy h MET 1052Cb 0.57 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1smy h MET 1052CO -0.35 0.02 -0.92 1.28 0.23 0.00 0.00 176.91 177.17 1smy n LEU 1053N -3.26 0.66 0.00 3.39 7.99 0.15 -4.48 117.00 121.46 1smy n LEU 1053Ca -0.02 -0.43 0.00 0.00 -0.01 0.00 0.00 56.01 55.55 1smy n LEU 1053Cb 0.15 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1smy n LEU 1053CO 0.24 0.17 0.00 0.41 -1.51 0.00 0.00 177.39 176.69 1smy n THR 1054N -1.49 0.00 0.04 -5.08 -1.04 0.16 -4.22 114.28 102.65 1smy n THR 1054Ca 0.02 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.19 1smy n THR 1054Cb 0.28 -0.22 0.64 0.00 -1.82 0.00 0.00 70.33 69.21 1smy n THR 1054CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1smy h LEU 1055N 0.00 0.07 -1.92 -4.42 3.38 -1.70 -0.14 115.31 110.59 1smy h LEU 1055Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1smy h LEU 1055Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1smy h LEU 1055CO 0.00 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.86 1smy n LYS 1056N -4.43 2.29 0.00 1.13 5.02 0.17 -3.76 118.16 118.58 1smy n LYS 1056Ca 0.07 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.45 1smy n LYS 1056Cb 0.45 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1smy n LYS 1056CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1smy n SER 1057N 1.23 0.00 -0.00 4.39 2.88 -0.90 -4.85 113.62 116.37 1smy n SER 1057Ca 0.16 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1smy n SER 1057Cb 0.56 0.18 -0.01 0.00 -0.75 0.00 0.00 64.21 64.20 1smy n SER 1057CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1smy n ASP 1058N -1.97 4.79 -4.55 -3.46 4.64 -1.03 -3.91 116.55 111.06 1smy n ASP 1058Ca 0.00 0.00 -0.38 0.00 -1.38 0.00 0.00 54.79 53.03 1smy n ASP 1058Cb 0.00 0.69 -0.03 0.00 -1.04 0.00 0.00 41.12 40.74 1smy n ASP 1058CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1smy s ASP 1059N -2.78 5.03 0.02 1.67 2.15 -0.11 -3.81 116.67 118.83 1smy s ASP 1059Ca -0.00 0.62 -0.08 0.00 0.43 0.00 0.00 52.55 53.52 1smy s ASP 1059Cb 0.00 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 1smy s ASP 1059CO 0.04 -2.51 1.12 0.40 -0.17 0.00 0.00 175.17 174.05 1smy h ILE 1060N 7.14 0.00 -0.96 4.11 2.04 -1.86 -1.43 117.51 126.55 1smy h ILE 1060Ca -0.26 0.00 0.26 0.00 1.00 0.00 0.00 64.86 65.86 1smy h ILE 1060Cb 1.20 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1smy h ILE 1060CO 1.19 0.00 0.67 -0.08 0.00 0.00 0.00 178.15 179.93 1smy h GLU 1061N -0.24 0.16 0.00 2.37 4.81 -1.92 -3.11 114.58 116.65 1smy h GLU 1061Ca -0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1smy h GLU 1061Cb 0.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1smy h GLU 1061CO 0.00 0.10 0.00 0.41 -0.73 0.00 0.00 179.01 178.79 1smy n GLY 1062N -1.64 -2.90 0.33 1.92 0.00 -0.75 -1.60 105.19 100.56 1smy n GLY 1062Ca 0.21 0.06 0.26 0.00 0.00 0.00 0.00 46.02 46.54 1smy n GLY 1062CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1smy n ARG 1063N -0.89 -0.07 0.39 1.61 1.85 -0.61 0.10 116.66 119.04 1smy n ARG 1063Ca 0.00 1.42 -0.15 0.00 -1.00 0.00 0.00 57.85 58.12 1smy n ARG 1063Cb 0.00 -2.44 -0.07 0.00 -1.05 0.00 0.00 32.46 28.90 1smy n ARG 1063CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1smy h ASN 1064N 0.00 -0.84 -0.78 2.89 4.21 -1.58 0.94 115.58 120.42 1smy h ASN 1064Ca 0.76 0.03 0.14 0.00 1.21 0.00 0.00 56.30 58.44 1smy h ASN 1064Cb 1.88 0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 39.24 1smy h ASN 1064CO -0.83 -0.57 0.52 0.00 -1.29 0.00 0.00 177.43 175.25 1smy h ALA 1065N -1.47 2.01 0.97 -0.83 0.00 0.15 -2.25 119.26 117.85 1smy h ALA 1065Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1smy h ALA 1065Cb 0.76 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1smy h ALA 1065CO 0.17 -0.21 -0.48 0.00 0.00 0.00 0.00 179.25 178.72 1smy h ALA 1066N 1.63 -1.34 -0.08 0.00 0.00 0.98 -1.46 119.26 118.99 1smy h ALA 1066Ca 0.38 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1smy h ALA 1066Cb 0.76 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1smy h ALA 1066CO -0.14 -1.25 -0.09 -0.92 0.00 0.00 0.00 179.25 176.85 1smy h TYR 1067N -1.33 -0.28 -0.64 0.00 3.20 -0.22 -0.88 116.97 116.81 1smy h TYR 1067Ca -0.13 0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.87 1smy h TYR 1067Cb 1.02 0.13 -0.12 0.00 1.54 0.00 0.00 36.73 39.31 1smy h TYR 1067CO -0.02 -0.08 -0.29 1.49 -1.64 0.00 0.00 178.16 177.63 1smy h GLU 1068N -0.05 -0.11 -0.86 1.82 4.81 -1.56 0.13 114.58 118.76 1smy h GLU 1068Ca 0.01 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.44 1smy h GLU 1068Cb 0.09 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.38 1smy h GLU 1068CO -0.11 -0.07 0.38 0.00 -0.73 0.00 0.00 179.01 178.49 1smy h ALA 1069N 1.22 1.32 0.04 2.92 0.00 -0.64 -1.26 119.26 122.86 1smy h ALA 1069Ca 0.27 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1smy h ALA 1069Cb 0.54 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1smy h ALA 1069CO -0.71 -0.26 -0.02 0.82 0.00 0.00 0.00 179.25 179.08 1smy h ILE 1070N 0.46 1.22 -0.67 0.00 2.04 0.58 -1.80 117.51 119.34 1smy h ILE 1070Ca 0.51 -0.88 0.19 0.00 1.00 0.00 0.00 64.86 65.68 1smy h ILE 1070Cb 0.88 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 1smy h ILE 1070CO -0.47 0.22 0.68 0.40 0.00 0.00 0.00 178.15 178.98 1smy h ILE 1071N -0.45 0.30 0.00 -0.67 1.08 -0.02 0.85 117.51 118.60 1smy h ILE 1071Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1smy h ILE 1071Cb 0.41 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1smy h ILE 1071CO 0.01 0.00 -1.75 0.29 -0.69 0.00 0.00 178.15 176.01 1smy n LYS 1072N -3.68 0.57 0.00 2.37 5.02 -0.83 -5.01 118.16 116.60 1smy n LYS 1072Ca 0.14 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1smy n LYS 1072Cb 0.92 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1smy n LYS 1072CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1smy n GLY 1073N 1.28 1.58 3.37 0.72 0.00 0.29 -5.12 105.19 107.32 1smy n GLY 1073Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1smy n GLY 1073CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1smy s GLU 1074N -0.51 1.41 0.59 1.61 2.12 -0.70 -5.05 118.70 118.17 1smy s GLU 1074Ca 0.00 -1.70 -0.19 0.00 0.36 0.00 0.00 54.97 53.45 1smy s GLU 1074Cb 0.00 -0.94 -0.04 0.00 0.26 0.00 0.00 34.13 33.41 1smy s GLU 1074CO 0.00 0.02 1.19 -0.51 -0.54 0.00 0.00 175.26 175.42 1smy s ASP 1075N -3.36 5.23 0.62 -1.70 -0.00 -1.26 -4.15 116.67 112.05 1smy s ASP 1075Ca 0.27 2.34 -0.18 0.00 -0.00 0.00 0.00 52.55 54.98 1smy s ASP 1075Cb 0.04 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.34 1smy s ASP 1075CO 0.09 -1.56 1.20 0.68 -0.00 0.00 0.00 175.17 175.58 1smy s VAL 1076N -1.66 2.66 1.07 -1.27 -7.23 -1.26 -4.88 120.40 107.83 1smy s VAL 1076Ca 0.76 0.39 -0.13 0.00 -1.81 0.00 0.00 61.98 61.19 1smy s VAL 1076Cb -0.29 -3.10 0.23 0.00 0.56 0.00 0.00 36.38 33.79 1smy s VAL 1076CO 0.33 -0.11 1.06 -2.84 -0.31 0.00 0.00 175.10 173.23 1smy s PRO 1077N -3.47 -0.17 0.06 4.82 0.02 -1.26 -4.96 135.00 130.03 1smy s PRO 1077Ca 0.76 0.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.13 1smy s PRO 1077Cb -0.29 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 1smy s PRO 1077CO 0.35 -3.17 0.99 -1.21 -0.33 0.00 0.00 177.00 173.62 1smy s GLU 1078N -4.75 4.61 0.53 5.54 0.41 -1.26 -4.98 118.70 118.80 1smy s GLU 1078Ca 0.67 1.46 -0.15 0.00 -0.41 0.00 0.00 54.97 56.54 1smy s GLU 1078Cb -0.21 -3.41 -0.13 0.00 -1.78 0.00 0.00 34.13 28.60 1smy s GLU 1078CO 0.61 0.06 -0.24 -2.30 -0.49 0.00 0.00 175.26 172.89 1smy n PRO 1079N 3.37 0.00 -2.26 0.39 -0.02 -1.26 -5.03 135.00 130.20 1smy n PRO 1079Ca 0.04 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.47 1smy n PRO 1079Cb 0.50 -0.85 -0.01 0.00 -0.02 0.00 0.00 33.50 33.13 1smy n PRO 1079CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1smy n SER 1080N 2.32 1.91 -4.73 2.55 7.64 -1.26 -5.08 113.62 116.97 1smy n SER 1080Ca 0.05 -1.35 -0.42 0.00 1.01 0.00 0.00 58.87 58.16 1smy n SER 1080Cb 0.42 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1smy n SER 1080CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1smy s VAL 1081N -1.01 3.33 0.44 0.44 1.01 -1.26 -4.93 120.40 118.41 1smy s VAL 1081Ca 0.02 1.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.80 1smy s VAL 1081Cb -0.00 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1smy s VAL 1081CO 0.01 0.13 1.12 -2.84 0.00 0.00 0.00 175.10 173.52 1smy s PRO 1082N 0.36 3.92 0.07 2.72 0.02 -1.26 -4.66 135.00 136.16 1smy s PRO 1082Ca 0.59 1.68 -0.23 0.00 0.02 0.00 0.00 61.00 63.06 1smy s PRO 1082Cb -0.36 -2.46 -0.15 0.00 0.02 0.00 0.00 34.50 31.55 1smy s PRO 1082CO 0.35 -0.39 1.64 0.93 -0.33 0.00 0.00 177.00 179.20 1smy h GLU 1083N 2.23 0.06 -0.99 5.54 4.39 -1.93 -2.38 114.58 121.50 1smy h GLU 1083Ca -0.49 -0.01 0.34 0.00 0.34 0.00 0.00 59.36 59.54 1smy h GLU 1083Cb 1.23 -0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 29.72 1smy h GLU 1083CO 0.61 0.15 0.51 1.03 -1.16 0.00 0.00 179.01 180.15 1smy h SER 1084N -0.05 0.38 0.54 1.42 0.87 -1.92 1.02 113.55 115.81 1smy h SER 1084Ca 0.01 0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1smy h SER 1084Cb 0.11 0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1smy h SER 1084CO -0.00 -0.22 -0.26 0.15 -0.53 0.00 0.00 176.83 175.97 1smy h PHE 1085N 0.22 -0.67 -0.22 2.24 3.04 -1.83 0.52 116.94 120.24 1smy h PHE 1085Ca 0.74 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.71 1smy h PHE 1085Cb 1.75 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 40.45 1smy h PHE 1085CO -0.05 -0.35 0.02 0.00 -2.02 0.00 0.00 178.31 175.91 1smy h ARG 1086N -0.96 0.09 -0.93 1.11 2.47 -0.27 0.81 114.38 116.70 1smy h ARG 1086Ca -0.07 -0.01 0.18 0.00 -1.26 0.00 0.00 59.98 58.82 1smy h ARG 1086Cb 0.63 -0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.85 1smy h ARG 1086CO 0.12 0.06 0.60 0.28 0.56 0.00 0.00 179.97 181.59 1smy h VAL 1087N 0.10 0.74 0.71 2.04 2.07 0.91 -1.67 116.25 121.15 1smy h VAL 1087Ca 0.10 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1smy h VAL 1087Cb 0.12 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1smy h VAL 1087CO -0.16 0.11 -0.34 0.25 0.02 0.00 0.00 177.57 177.45 1smy h LEU 1088N 0.60 -0.81 -0.72 2.57 5.85 0.13 -0.91 115.31 122.02 1smy h LEU 1088Ca 0.49 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.37 1smy h LEU 1088Cb 0.95 0.21 -0.13 0.00 0.37 0.00 0.00 40.66 42.06 1smy h LEU 1088CO -0.24 -0.44 -0.31 0.58 -0.34 0.00 0.00 178.44 177.69 1smy h VAL 1089N -1.23 0.15 -0.64 1.05 2.07 -0.48 0.35 116.25 117.52 1smy h VAL 1089Ca -0.10 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1smy h VAL 1089Cb 0.73 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1smy h VAL 1089CO 0.16 0.00 0.18 0.11 0.02 0.00 0.00 177.57 178.04 1smy h LYS 1090N -0.09 0.99 -0.97 1.57 1.79 -1.37 0.36 116.57 118.86 1smy h LYS 1090Ca 0.29 -0.21 0.13 0.00 -2.18 0.00 0.00 60.65 58.68 1smy h LYS 1090Cb 0.57 -0.15 -0.08 0.00 -1.58 0.00 0.00 32.23 30.99 1smy h LYS 1090CO -0.77 0.86 0.61 0.93 -1.08 0.00 0.00 179.45 180.00 1smy h GLU 1091N 0.95 0.88 -0.06 3.15 5.08 0.11 0.31 114.58 125.00 1smy h GLU 1091Ca 0.21 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.30 1smy h GLU 1091Cb 0.30 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1smy h GLU 1091CO -0.01 0.58 -0.83 -0.07 -1.00 0.00 0.00 179.01 177.69 1smy h LEU 1092N 0.91 0.63 -1.47 1.33 3.38 0.44 -2.91 115.31 117.61 1smy h LEU 1092Ca 0.48 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1smy h LEU 1092Cb 0.55 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1smy h LEU 1092CO -0.25 1.22 -0.19 1.56 0.09 0.00 0.00 178.44 180.88 1smy h GLN 1093N 0.33 0.10 -0.94 1.13 1.08 0.12 -1.48 115.11 115.45 1smy h GLN 1093Ca -0.06 -0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.21 1smy h GLN 1093Cb 1.44 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.79 1smy h GLN 1093CO 0.15 0.30 0.60 0.00 -0.95 0.00 0.00 178.83 178.93 1smy h ALA 1094N 1.71 1.57 -2.30 3.87 0.00 -0.25 -3.39 119.26 120.47 1smy h ALA 1094Ca 0.02 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.44 1smy h ALA 1094Cb 0.40 -0.23 0.04 0.00 0.00 0.00 0.00 17.79 18.00 1smy h ALA 1094CO 0.03 0.24 0.17 -0.51 0.00 0.00 0.00 179.25 179.18 1smy s LEU 1095N -10.04 3.47 0.26 0.00 1.43 -0.56 -4.97 118.68 108.27 1smy s LEU 1095Ca -0.11 0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 53.90 1smy s LEU 1095Cb 0.21 -3.88 0.53 0.00 0.03 0.00 0.00 46.19 43.08 1smy s LEU 1095CO 0.80 -0.74 1.65 0.00 0.23 0.00 0.00 176.35 178.29 1smy h ALA 1096N 0.05 0.98 -1.19 4.21 0.00 -1.76 -3.44 119.26 118.11 1smy h ALA 1096Ca -0.46 0.22 -0.66 0.00 0.00 0.00 0.00 54.91 54.01 1smy h ALA 1096Cb 1.22 0.35 0.11 0.00 0.00 0.00 0.00 17.79 19.47 1smy h ALA 1096CO 0.61 -0.42 -0.46 1.28 0.00 0.00 0.00 179.25 180.26 1smy n LEU 1097N -5.27 -0.92 -4.20 0.00 7.99 -1.25 -4.91 117.00 108.44 1smy n LEU 1097Ca 0.16 1.11 -0.35 0.00 -0.01 0.00 0.00 56.01 56.92 1smy n LEU 1097Cb 0.54 -0.99 -0.14 0.00 -0.11 0.00 0.00 43.42 42.72 1smy n LEU 1097CO 0.06 -2.85 -0.35 -0.62 -1.51 0.00 0.00 177.39 172.13 1smy s ASP 1098N -0.94 4.87 -0.45 -1.43 2.15 -1.26 -3.78 116.67 115.83 1smy s ASP 1098Ca 0.63 -1.17 -0.12 0.00 0.43 0.00 0.00 52.55 52.31 1smy s ASP 1098Cb -0.88 -1.73 0.08 0.00 -0.30 0.00 0.00 42.92 40.09 1smy s ASP 1098CO 0.57 -0.25 0.33 -0.69 -0.17 0.00 0.00 175.17 174.97 1smy s VAL 1099N 1.29 4.72 -0.09 1.11 1.01 -1.26 -5.06 120.40 122.12 1smy s VAL 1099Ca -0.04 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 60.72 1smy s VAL 1099Cb -0.19 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 1smy s VAL 1099CO -0.01 -0.56 -0.23 -1.58 0.00 0.00 0.00 175.10 172.72 1smy s GLN 1100N 1.53 2.80 0.95 2.72 0.74 -1.26 -5.05 119.66 122.10 1smy s GLN 1100Ca 0.04 -0.83 -0.12 0.00 0.05 0.00 0.00 55.36 54.49 1smy s GLN 1100Cb -0.24 -2.17 0.16 0.00 1.10 0.00 0.00 33.01 31.86 1smy s GLN 1100CO 0.04 0.20 1.11 0.95 -0.55 0.00 0.00 175.29 177.04 1smy s THR 1101N 0.27 2.17 0.14 -0.34 -4.23 -1.26 -5.06 115.64 107.33 1smy s THR 1101Ca -0.15 0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.34 1smy s THR 1101Cb -0.17 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 1smy s THR 1101CO 0.07 -0.07 0.21 -0.76 -0.54 0.00 0.00 174.62 173.53 1smy s LEU 1102N -6.29 1.28 0.00 4.79 1.43 -1.26 -4.03 118.68 114.60 1smy s LEU 1102Ca 0.64 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1smy s LEU 1102Cb -0.17 0.94 0.00 0.00 0.03 0.00 0.00 46.19 46.98 1smy s LEU 1102CO 0.56 -0.82 0.00 -0.67 0.23 0.00 0.00 176.35 175.65 1smy n ASP 1103N -0.15 0.00 0.00 2.29 -0.08 0.42 -4.77 116.55 114.26 1smy n ASP 1103Ca -0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1smy n ASP 1103Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 1smy n ASP 1103CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1smy n GLU 1104N 0.00 0.00 -2.82 -0.67 4.07 -1.26 -4.55 120.64 115.41 1smy n GLU 1104Ca 0.00 0.40 -0.33 0.00 -0.06 0.00 0.00 57.16 57.18 1smy n GLU 1104Cb 0.00 -1.40 -0.07 0.00 -0.06 0.00 0.00 31.44 29.91 1smy n GLU 1104CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1smy s LYS 1105N -2.61 4.18 -0.85 5.31 1.02 -1.26 -4.87 119.74 120.66 1smy s LYS 1105Ca 0.00 1.06 -0.22 0.00 0.02 0.00 0.00 55.97 56.83 1smy s LYS 1105Cb 0.00 -2.20 -0.19 0.00 -0.52 0.00 0.00 37.83 34.92 1smy s LYS 1105CO 0.00 -0.03 2.14 -0.25 -0.92 0.00 0.00 175.35 176.29 1smy n ASP 1106N -0.69 0.92 -3.92 2.83 8.00 -1.26 -4.81 116.55 117.63 1smy n ASP 1106Ca 0.07 -1.77 -0.10 0.00 0.71 0.00 0.00 54.79 53.70 1smy n ASP 1106Cb 0.54 -1.48 -0.09 0.00 -0.02 0.00 0.00 41.12 40.07 1smy n ASP 1106CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1smy s ASN 1107N 7.87 0.16 1.03 -2.24 0.01 -1.26 -4.93 114.94 115.58 1smy s ASN 1107Ca 0.84 -0.50 -0.15 0.00 -0.71 0.00 0.00 52.86 52.34 1smy s ASN 1107Cb -0.16 0.22 0.08 0.00 0.41 0.00 0.00 41.25 41.80 1smy s ASN 1107CO 0.17 -0.49 0.31 -2.65 -1.51 0.00 0.00 177.10 172.92 1smy n PRO 1108N 0.85 -0.97 -3.67 -0.60 -0.02 -1.26 0.16 135.00 129.49 1smy n PRO 1108Ca -0.19 -0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 60.92 1smy n PRO 1108Cb 0.58 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 32.15 1smy n PRO 1108CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1smy s VAL 1109N -2.34 -0.00 -0.30 -1.45 1.01 -1.26 -4.00 120.40 112.06 1smy s VAL 1109Ca 0.58 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 1smy s VAL 1109Cb -0.18 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1smy s VAL 1109CO 0.66 0.01 0.14 -1.81 0.00 0.00 0.00 175.10 174.11 1smy s ASP 1110N 0.87 5.53 -0.06 3.32 1.11 -1.26 -4.62 116.67 121.56 1smy s ASP 1110Ca -0.04 -0.47 -0.00 0.00 0.18 0.00 0.00 52.55 52.22 1smy s ASP 1110Cb -0.05 -2.00 -0.00 0.00 1.07 0.00 0.00 42.92 41.94 1smy s ASP 1110CO -0.07 -0.17 -0.01 0.16 1.18 0.00 0.00 175.17 176.26 1smy h ILE 1111N 5.63 0.00 -0.70 0.77 3.07 -2.01 -3.39 117.51 120.88 1smy h ILE 1111Ca -0.33 -0.55 -0.39 0.00 1.55 0.00 0.00 64.86 65.14 1smy h ILE 1111Cb 1.15 0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 37.65 1smy h ILE 1111CO 0.61 0.00 1.10 -0.36 -1.05 0.00 0.00 178.15 178.45 1smy s PHE 1112N -1.32 2.05 -0.24 0.16 0.40 -1.26 -4.85 117.98 112.91 1smy s PHE 1112Ca -0.00 0.14 -0.29 0.00 -0.60 0.00 0.00 56.93 56.18 1smy s PHE 1112Cb 0.00 -4.19 -0.06 0.00 0.51 0.00 0.00 43.02 39.28 1smy s PHE 1112CO 0.01 -1.59 2.23 -0.85 0.70 0.00 0.00 175.22 175.71 1smy n GLU 1113N 8.62 1.82 0.00 0.44 0.28 -1.26 -3.17 120.64 127.36 1smy n GLU 1113Ca 0.42 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.90 1smy n GLU 1113Cb 0.47 -3.15 0.00 0.00 1.43 0.00 0.00 31.44 30.20 1smy n GLU 1113CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1smy n GLY 1114N 5.89 1.84 0.01 -1.84 0.00 -1.26 -4.78 105.19 105.05 1smy n GLY 1114Ca 0.32 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.46 1smy n GLY 1114CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1smy n LEU 1115N 0.00 0.51 0.05 0.99 4.32 -1.19 -4.12 117.00 117.56 1smy n LEU 1115Ca 0.00 0.03 -0.18 0.00 -0.02 0.00 0.00 56.01 55.84 1smy n LEU 1115Cb 0.00 -0.24 -0.14 0.00 -1.62 0.00 0.00 43.42 41.41 1smy n LEU 1115CO 0.00 0.10 -0.45 0.00 -1.22 0.00 0.00 177.39 175.83 1smy h ALA 1116N 2.94 0.32 -2.65 -1.18 0.00 -1.87 -3.47 119.26 113.36 1smy h ALA 1116Ca 0.00 -1.18 -0.56 0.00 0.00 0.00 0.00 54.91 53.17 1smy h ALA 1116Cb 0.53 0.38 0.18 0.00 0.00 0.00 0.00 17.79 18.88 1smy h ALA 1116CO 0.00 1.18 -0.01 0.43 0.00 0.00 0.00 179.25 180.85 1smy n SER 1117N -3.45 0.13 -4.84 0.00 7.64 -1.26 -4.95 113.62 106.90 1smy n SER 1117Ca -0.20 0.66 -0.37 0.00 1.01 0.00 0.00 58.87 59.97 1smy n SER 1117Cb 1.05 -1.36 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 1smy n SER 1117CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1smy s LYS 1118N -3.18 3.68 0.00 1.43 -2.85 -1.26 -5.08 119.74 112.48 1smy s LYS 1118Ca 0.72 -0.11 0.00 0.00 -1.00 0.00 0.00 55.97 55.58 1smy s LYS 1118Cb -0.35 -3.25 0.00 0.00 -2.06 0.00 0.00 37.83 32.17 1smy s LYS 1118CO 0.52 0.64 0.00 0.54 0.10 0.00 0.00 175.35 177.15