#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy s SER 2 N 0.00 4.05 0.00 1.61 0.15 -1.26 -4.66 113.70 113.59 1vdy s SER 2 Ca 0.00 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1vdy s SER 2 Cb 0.00 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1vdy s SER 2 CO 0.00 0.22 0.00 -0.24 1.20 0.00 0.00 173.24 174.42 1vdy n SER 3 N 3.18 0.00 -3.57 5.45 2.88 -1.26 -5.19 113.62 115.12 1vdy n SER 3 Ca -0.18 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.24 1vdy n SER 3 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1vdy n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1vdy s GLY 4 N 0.00 -0.33 -0.04 0.46 0.00 -1.26 -5.00 107.32 101.15 1vdy s GLY 4 Ca 0.00 1.88 -0.17 0.00 0.00 0.00 0.00 44.72 46.42 1vdy s GLY 4 CO 0.00 1.00 0.72 0.23 0.00 0.00 0.00 173.10 175.05 1vdy h SER 5 N 2.62 -0.34 -3.12 1.64 0.87 -2.06 -3.38 113.55 109.79 1vdy h SER 5 Ca -0.20 -0.13 -0.74 0.00 -1.23 0.00 0.00 61.79 59.49 1vdy h SER 5 Cb 1.16 0.09 -0.23 0.00 -0.44 0.00 0.00 62.40 62.98 1vdy h SER 5 CO 0.32 0.14 0.00 -0.44 -0.53 0.00 0.00 176.83 176.33 1vdy s SER 6 N -5.16 6.31 -0.06 6.23 0.01 -1.26 -4.87 113.70 114.89 1vdy s SER 6 Ca -0.10 -1.85 0.25 0.00 1.31 0.00 0.00 55.95 55.56 1vdy s SER 6 Cb 0.01 -2.25 0.45 0.00 0.21 0.00 0.00 66.02 64.43 1vdy s SER 6 CO 0.33 -0.90 1.16 0.61 0.41 0.00 0.00 173.24 174.85 1vdy n GLY 7 N 5.04 1.33 3.77 3.44 0.00 -1.26 -5.08 105.19 112.42 1vdy n GLY 7 Ca -0.06 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 1vdy n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vdy s GLU 8 N -0.94 3.72 0.22 1.61 2.02 -1.26 -4.90 118.70 119.16 1vdy s GLU 8 Ca 0.33 2.41 -0.08 0.00 0.02 0.00 0.00 54.97 57.64 1vdy s GLU 8 Cb 0.37 -2.67 0.28 0.00 0.10 0.00 0.00 34.13 32.21 1vdy s GLU 8 CO -0.14 -0.79 1.79 0.66 0.02 0.00 0.00 175.26 176.81 1vdy h SER 9 N 2.37 0.51 -0.76 -0.19 4.64 -2.01 -0.32 113.55 117.79 1vdy h SER 9 Ca -0.51 0.04 0.08 0.00 -0.47 0.00 0.00 61.79 60.93 1vdy h SER 9 Cb 1.26 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 1vdy h SER 9 CO 0.61 0.31 0.50 0.10 -0.87 0.00 0.00 176.83 177.48 1vdy h TYR 10 N 0.64 0.79 0.33 4.77 -0.00 -1.98 -1.07 116.97 120.46 1vdy h TYR 10 Ca 0.32 0.02 0.00 0.00 0.00 0.00 0.00 58.73 59.07 1vdy h TYR 10 Cb 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 36.73 36.72 1vdy h TYR 10 CO -0.09 0.40 -0.40 2.35 -0.00 0.00 0.00 178.16 180.42 1vdy h TRP 11 N 0.76 -1.09 -0.41 0.10 -0.00 -1.41 0.30 115.95 114.20 1vdy h TRP 11 Ca 0.34 0.01 0.04 0.00 -0.00 0.00 0.00 58.89 59.28 1vdy h TRP 11 Cb 0.33 0.43 -0.04 0.00 -0.00 0.00 0.00 29.16 29.89 1vdy h TRP 11 CO -0.00 -0.54 0.19 0.00 -0.00 0.00 0.00 178.44 178.09 1vdy h ARG 12 N -0.77 0.37 -0.49 2.65 2.47 -1.41 -2.58 114.38 114.62 1vdy h ARG 12 Ca -0.02 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.73 1vdy h ARG 12 Cb 0.71 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.90 1vdy h ARG 12 CO -0.10 0.24 0.22 1.03 0.56 0.00 0.00 179.97 181.92 1vdy h SER 13 N 0.38 0.29 -0.90 7.04 0.87 -0.70 -2.91 113.55 117.62 1vdy h SER 13 Ca 0.18 0.04 0.17 0.00 -1.23 0.00 0.00 61.79 60.95 1vdy h SER 13 Cb 0.11 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 61.96 1vdy h SER 13 CO -0.15 0.20 0.47 0.03 -0.53 0.00 0.00 176.83 176.86 1vdy h ARG 14 N 0.43 0.59 -0.34 2.24 2.47 0.00 0.21 114.38 119.99 1vdy h ARG 14 Ca 0.22 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 1vdy h ARG 14 Cb 0.17 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 1vdy h ARG 14 CO -0.18 0.39 0.17 0.52 0.56 0.00 0.00 179.97 181.43 1vdy h MET 15 N 0.61 0.47 -0.16 0.04 2.86 -1.52 0.10 114.93 117.33 1vdy h MET 15 Ca 0.52 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 58.05 1vdy h MET 15 Cb 0.81 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 1vdy h MET 15 CO -0.41 0.41 -0.08 0.82 1.06 0.00 0.00 176.91 178.72 1vdy h ILE 16 N 0.41 1.31 -0.71 -1.22 1.08 -1.37 -3.10 117.51 113.91 1vdy h ILE 16 Ca 0.12 -1.13 0.07 0.00 -0.39 0.00 0.00 64.86 63.52 1vdy h ILE 16 Cb 0.09 1.72 -0.04 0.00 -3.07 0.00 0.00 36.82 35.52 1vdy h ILE 16 CO -0.02 0.33 0.47 -0.78 -0.69 0.00 0.00 178.15 177.46 1vdy h ASP 17 N 0.01 0.62 0.08 1.72 3.58 -0.39 0.71 116.42 122.75 1vdy h ASP 17 Ca 0.03 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 1vdy h ASP 17 Cb 0.56 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1vdy h ASP 17 CO 0.02 0.40 -0.21 0.00 -2.88 0.00 0.00 179.24 176.58 1vdy h ALA 18 N 1.62 1.39 -0.00 -0.78 0.00 -0.73 0.39 119.26 121.15 1vdy h ALA 18 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vdy h ALA 18 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1vdy h ALA 18 CO -0.10 0.42 -0.80 1.33 0.00 0.00 0.00 179.25 180.10 1vdy n VAL 19 N -4.20 0.00 -0.23 0.00 0.24 -0.65 -4.36 118.33 109.13 1vdy n VAL 19 Ca -0.01 -0.05 0.02 0.00 -2.04 0.00 0.00 64.34 62.27 1vdy n VAL 19 Cb 0.33 0.88 0.04 0.00 -1.47 0.00 0.00 33.84 33.61 1vdy n VAL 19 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1vdy n THR 20 N -1.24 1.19 -1.75 3.34 -2.24 0.15 -4.77 114.28 108.96 1vdy n THR 20 Ca 0.05 -1.25 -0.40 0.00 -2.27 0.00 0.00 64.05 60.18 1vdy n THR 20 Cb 0.35 0.35 0.02 0.00 -2.10 0.00 0.00 70.33 68.95 1vdy n THR 20 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1vdy n SER 21 N -0.59 3.21 -1.23 3.42 7.64 0.10 -4.53 113.62 121.62 1vdy n SER 21 Ca 0.04 1.11 -0.02 0.00 1.01 0.00 0.00 58.87 61.02 1vdy n SER 21 Cb 0.35 -1.59 0.01 0.00 -1.01 0.00 0.00 64.21 61.97 1vdy n SER 21 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1vdy n ASP 22 N -0.16 3.79 0.00 6.43 5.75 -1.26 -4.33 116.55 126.77 1vdy n ASP 22 Ca 0.06 -2.24 0.03 0.00 -0.01 0.00 0.00 54.79 52.62 1vdy n ASP 22 Cb 0.41 -0.70 0.15 0.00 -1.03 0.00 0.00 41.12 39.95 1vdy n ASP 22 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1vdy n GLU 23 N 0.65 0.12 0.00 0.11 0.28 -1.26 -4.83 120.64 115.72 1vdy n GLU 23 Ca 0.05 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1vdy n GLU 23 Cb 0.57 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.94 1vdy n GLU 23 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1vdy n ASP 24 N -1.14 0.00 -4.80 -1.84 5.68 -1.26 -4.92 116.55 108.27 1vdy n ASP 24 Ca 0.03 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 54.01 1vdy n ASP 24 Cb 0.03 -0.81 0.06 0.00 -1.14 0.00 0.00 41.12 39.25 1vdy n ASP 24 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1vdy s LYS 25 N 0.00 2.78 0.56 0.11 2.36 -1.26 -5.02 119.74 119.27 1vdy s LYS 25 Ca 0.00 1.09 -0.19 0.00 -2.55 0.00 0.00 55.97 54.32 1vdy s LYS 25 Cb 0.00 -1.97 -0.05 0.00 -1.05 0.00 0.00 37.83 34.76 1vdy s LYS 25 CO 0.00 -1.23 1.12 0.54 1.55 0.00 0.00 175.35 177.33 1vdy s VAL 26 N -2.86 3.25 -0.36 4.02 0.11 -1.26 -4.97 120.40 118.32 1vdy s VAL 26 Ca 0.60 0.74 -0.29 0.00 -2.93 0.00 0.00 61.98 60.11 1vdy s VAL 26 Cb -0.16 -3.28 0.01 0.00 -1.53 0.00 0.00 36.38 31.42 1vdy s VAL 26 CO 0.52 -0.20 1.26 0.00 -3.33 0.00 0.00 175.10 173.34 1vdy s ALA 27 N -1.89 3.27 0.66 1.54 0.00 -1.26 -5.02 121.76 119.06 1vdy s ALA 27 Ca 0.71 -0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.44 1vdy s ALA 27 Cb -0.23 -3.82 -0.01 0.00 0.00 0.00 0.00 23.12 19.07 1vdy s ALA 27 CO 0.29 -1.96 1.07 -1.25 0.00 0.00 0.00 175.76 173.90 1vdy s PRO 28 N 4.31 3.02 0.18 0.00 0.04 -1.26 -4.98 135.00 136.31 1vdy s PRO 28 Ca 0.54 1.13 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 1vdy s PRO 28 Cb -0.13 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.55 1vdy s PRO 28 CO 0.26 -1.05 1.78 0.28 0.04 0.00 0.00 177.00 178.31 1vdy h VAL 29 N -0.19 0.93 -0.86 -0.36 2.07 -2.01 -2.99 116.25 112.84 1vdy h VAL 29 Ca -0.45 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1vdy h VAL 29 Cb 1.22 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1vdy h VAL 29 CO 0.56 0.08 0.56 0.10 0.02 0.00 0.00 177.57 178.89 1vdy h TYR 30 N 0.46 1.04 0.00 1.57 -0.00 -2.01 -1.69 116.97 116.35 1vdy h TYR 30 Ca 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 58.73 58.96 1vdy h TYR 30 Cb 0.16 -0.35 -0.00 0.00 0.00 0.00 0.00 36.73 36.54 1vdy h TYR 30 CO -0.11 0.60 -0.08 0.87 -0.00 0.00 0.00 178.16 179.44 1vdy h LYS 31 N 1.08 0.00 0.00 0.10 1.57 -1.92 -3.00 116.57 114.39 1vdy h LYS 31 Ca 0.34 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1vdy h LYS 31 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1vdy h LYS 31 CO -0.12 0.08 -0.00 -0.07 -0.57 0.00 0.00 179.45 178.77 1vdy h LEU 32 N 0.00 -0.00 -1.14 2.94 3.38 -1.38 -3.36 115.31 115.75 1vdy h LEU 32 Ca -0.00 -0.94 0.12 0.00 0.09 0.00 0.00 57.88 57.15 1vdy h LEU 32 Cb 0.27 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1vdy h LEU 32 CO 0.01 0.96 0.60 -0.33 0.09 0.00 0.00 178.44 179.77 1vdy h GLU 33 N -0.98 0.86 -0.88 1.13 4.39 -1.35 -1.60 114.58 116.15 1vdy h GLU 33 Ca -0.00 -0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.79 1vdy h GLU 33 Cb 0.94 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 29.33 1vdy h GLU 33 CO 0.00 0.57 0.57 1.49 -1.16 0.00 0.00 179.01 180.48 1vdy h GLU 34 N 0.89 0.68 -0.01 2.33 4.57 -1.68 0.09 114.58 121.45 1vdy h GLU 34 Ca 0.46 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1vdy h GLU 34 Cb 0.52 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1vdy h GLU 34 CO -0.22 0.45 -0.01 0.82 -1.18 0.00 0.00 179.01 178.86 1vdy h ILE 35 N 0.70 1.46 -1.00 2.32 2.04 -1.44 -2.44 117.51 119.14 1vdy h ILE 35 Ca 0.44 -1.37 0.09 0.00 1.00 0.00 0.00 64.86 65.01 1vdy h ILE 35 Cb 0.69 2.37 -0.07 0.00 -0.74 0.00 0.00 36.82 39.06 1vdy h ILE 35 CO -0.20 0.36 0.64 0.00 0.00 0.00 0.00 178.15 178.95 1vdy h ASP 37 N 1.10 -0.10 -0.97 0.00 3.58 -1.05 -2.96 116.42 116.01 1vdy h ASP 37 Ca 0.46 -0.17 0.09 0.00 0.42 0.00 0.00 57.03 57.83 1vdy h ASP 37 Cb 0.30 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.31 1vdy h ASP 37 CO -0.21 0.11 0.62 -0.07 -2.88 0.00 0.00 179.24 176.81 1vdy h LEU 38 N -0.31 0.94 0.58 2.28 -0.00 -0.87 -0.58 115.31 117.35 1vdy h LEU 38 Ca -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1vdy h LEU 38 Cb 0.26 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1vdy h LEU 38 CO 0.02 0.57 -0.43 -0.07 -0.00 0.00 0.00 178.44 178.53 1vdy h LEU 39 N 1.05 -1.12 -1.32 1.67 3.38 -0.84 -2.15 115.31 115.98 1vdy h LEU 39 Ca 0.44 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.43 1vdy h LEU 39 Cb 0.31 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1vdy h LEU 39 CO -0.19 -0.61 -0.25 0.08 0.09 0.00 0.00 178.44 177.55 1vdy h ARG 40 N -0.96 0.00 0.00 1.13 -0.00 -1.36 -2.35 114.38 110.83 1vdy h ARG 40 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.90 1vdy h ARG 40 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.76 1vdy h ARG 40 CO 0.03 0.25 0.00 0.45 -0.00 0.00 0.00 179.97 180.70 1vdy n SER 41 N -3.59 0.00 -4.37 0.08 2.88 -0.24 -4.85 113.62 103.53 1vdy n SER 41 Ca -0.01 -1.36 -0.19 0.00 -1.33 0.00 0.00 58.87 55.98 1vdy n SER 41 Cb 0.39 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.75 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1vdy s SER 42 N -1.59 1.97 0.56 -3.46 0.01 -0.83 -5.01 113.70 105.36 1vdy s SER 42 Ca 0.26 -1.29 -0.18 0.00 1.31 0.00 0.00 55.95 56.06 1vdy s SER 42 Cb 0.12 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.29 1vdy s SER 42 CO 0.20 -0.56 1.09 -2.28 0.41 0.00 0.00 173.24 172.10 1vdy s HIS 43 N -3.40 2.81 0.62 2.43 2.46 -1.26 -4.92 115.29 114.04 1vdy s HIS 43 Ca 0.32 1.55 0.31 0.00 0.47 0.00 0.00 55.06 57.70 1vdy s HIS 43 Cb 0.07 -3.15 1.68 0.00 -0.13 0.00 0.00 32.58 31.05 1vdy s HIS 43 CO 0.12 -1.31 2.02 -0.24 -2.47 0.00 0.00 174.74 172.86 1vdy h VAL 44 N 0.88 0.25 -0.92 0.89 3.04 -1.96 -0.63 116.25 117.79 1vdy h VAL 44 Ca -0.48 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 1vdy h VAL 44 Cb 1.24 0.75 -0.04 0.00 -2.01 0.00 0.00 31.29 31.22 1vdy h VAL 44 CO 0.57 0.00 0.53 -1.28 -1.01 0.00 0.00 177.57 176.38 1vdy h SER 45 N 0.00 1.13 -0.56 3.17 0.87 -1.91 -2.01 113.55 114.23 1vdy h SER 45 Ca 0.08 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1vdy h SER 45 Cb 0.66 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1vdy h SER 45 CO -0.00 0.88 0.03 0.40 -0.53 0.00 0.00 176.83 177.61 1vdy h ILE 46 N 1.28 1.26 -0.34 2.23 1.08 -1.47 -1.15 117.51 120.39 1vdy h ILE 46 Ca 0.33 -1.08 0.03 0.00 -0.39 0.00 0.00 64.86 63.74 1vdy h ILE 46 Cb -0.02 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 1vdy h ILE 46 CO -0.06 0.39 0.14 0.58 -0.69 0.00 0.00 178.15 178.52 1vdy h VAL 47 N 0.93 0.95 -0.49 1.67 2.07 -1.39 0.13 116.25 120.11 1vdy h VAL 47 Ca 0.17 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 1vdy h VAL 47 Cb 0.50 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1vdy h VAL 47 CO 0.02 0.06 -0.01 0.11 0.02 0.00 0.00 177.57 177.77 1vdy h LYS 48 N 0.31 0.87 -0.82 1.57 1.57 -1.09 -2.61 116.57 116.37 1vdy h LYS 48 Ca 0.15 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1vdy h LYS 48 Cb 0.09 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1vdy h LYS 48 CO -0.13 0.91 0.52 0.93 -0.57 0.00 0.00 179.45 181.11 1vdy h GLU 49 N 0.73 1.10 -0.67 3.15 4.39 -0.82 -2.38 114.58 120.08 1vdy h GLU 49 Ca 0.14 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.80 1vdy h GLU 49 Cb 0.53 -0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 1vdy h GLU 49 CO 0.03 0.75 0.39 0.74 -1.16 0.00 0.00 179.01 179.76 1vdy h PHE 50 N 1.12 0.73 -0.75 4.33 0.04 -0.71 -1.99 116.94 119.70 1vdy h PHE 50 Ca 0.30 0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.17 1vdy h PHE 50 Cb -0.08 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 37.77 1vdy h PHE 50 CO -0.01 0.39 0.41 0.77 -0.60 0.00 0.00 178.31 179.27 1vdy h SER 51 N 0.75 0.58 -0.38 2.17 0.02 -1.07 -0.62 113.55 115.00 1vdy h SER 51 Ca 0.28 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1vdy h SER 51 Cb 0.10 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1vdy h SER 51 CO -0.14 0.34 0.23 -0.33 -1.14 0.00 0.00 176.83 175.79 1vdy h GLU 52 N 0.71 0.51 -0.57 3.45 4.39 -1.13 -0.65 114.58 121.28 1vdy h GLU 52 Ca 0.36 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 1vdy h GLU 52 Cb 0.31 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1vdy h GLU 52 CO -0.24 0.39 0.26 0.74 -1.16 0.00 0.00 179.01 179.01 1vdy h PHE 53 N 0.49 0.80 0.00 4.33 0.04 -0.88 -1.17 116.94 120.56 1vdy h PHE 53 Ca 0.14 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 1vdy h PHE 53 Cb 0.01 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 37.91 1vdy h PHE 53 CO -0.04 0.60 -0.00 0.82 -0.60 0.00 0.00 178.31 179.09 1vdy h ILE 54 N 0.81 1.18 -0.71 -0.55 2.04 -0.58 -3.03 117.51 116.66 1vdy h ILE 54 Ca 0.20 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1vdy h ILE 54 Cb 0.10 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1vdy h ILE 54 CO -0.02 0.14 0.47 -0.07 0.00 0.00 0.00 178.15 178.67 1vdy h LEU 55 N -0.23 0.76 -2.26 1.44 3.38 -0.69 -1.03 115.31 116.68 1vdy h LEU 55 Ca -0.00 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1vdy h LEU 55 Cb 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1vdy h LEU 55 CO 0.00 0.53 0.17 0.11 0.09 0.00 0.00 178.44 179.34 1vdy h LYS 56 N 0.88 0.00 0.00 1.13 1.79 -1.10 -0.31 116.57 118.97 1vdy h LYS 56 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1vdy h LYS 56 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1vdy h LYS 56 CO -0.08 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.29 1vdy h ARG 57 N 0.00 0.00 -0.11 3.15 2.47 -1.21 -3.22 114.38 115.46 1vdy h ARG 57 Ca 0.07 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.66 1vdy h ARG 57 Cb 0.42 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1vdy h ARG 57 CO -0.00 0.00 -0.46 -0.07 0.56 0.00 0.00 179.97 180.00 1vdy h LEU 58 N 0.00 0.60 0.00 3.04 -0.00 -1.16 -3.05 115.31 114.74 1vdy h LEU 58 Ca 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 57.88 57.25 1vdy h LEU 58 Cb 0.66 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1vdy h LEU 58 CO 0.00 1.13 0.00 -0.67 -0.00 0.00 0.00 178.44 178.90 1vdy n ASP 59 N -4.26 0.00 -4.77 -0.43 2.03 -1.21 -4.85 116.55 103.05 1vdy n ASP 59 Ca -0.08 -0.49 -0.40 0.00 0.52 0.00 0.00 54.79 54.34 1vdy n ASP 59 Cb 0.58 -0.02 -0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1vdy n ASP 59 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1vdy s ASN 60 N -2.04 6.33 0.08 1.67 3.84 -1.15 -4.93 114.94 118.74 1vdy s ASN 60 Ca 0.25 2.90 0.26 0.00 0.21 0.00 0.00 52.86 56.48 1vdy s ASN 60 Cb 0.12 -2.66 1.01 0.00 -0.55 0.00 0.00 41.25 39.17 1vdy s ASN 60 CO 0.20 -0.86 1.80 1.17 -2.79 0.00 0.00 177.10 176.62 1vdy n LYS 61 N 0.35 0.09 -3.99 0.43 3.00 -1.26 -4.78 118.16 112.00 1vdy n LYS 61 Ca 0.02 0.13 -0.33 0.00 -0.00 0.00 0.00 58.31 58.13 1vdy n LYS 61 Cb 0.41 -1.61 -0.06 0.00 0.00 0.00 0.00 35.03 33.77 1vdy n LYS 61 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1vdy s SER 62 N -3.52 6.05 0.08 3.14 0.01 -1.26 -5.04 113.70 113.16 1vdy s SER 62 Ca 0.11 0.24 -0.15 0.00 1.31 0.00 0.00 55.95 57.46 1vdy s SER 62 Cb 0.15 -1.82 -0.17 0.00 0.21 0.00 0.00 66.02 64.39 1vdy s SER 62 CO 0.50 0.25 1.27 1.55 0.41 0.00 0.00 173.24 177.22 1vdy h PRO 63 N 3.79 0.70 -0.19 12.44 0.13 -1.93 -3.35 132.00 143.59 1vdy h PRO 63 Ca -0.48 -0.59 0.05 0.00 -0.87 0.00 0.00 66.00 64.11 1vdy h PRO 63 Cb 1.18 0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 1vdy h PRO 63 CO 0.67 1.20 -0.45 0.82 -0.23 0.00 0.00 178.00 180.01 1vdy h ILE 64 N 0.39 0.10 -0.94 -3.56 2.04 -1.97 -2.10 117.51 111.48 1vdy h ILE 64 Ca -0.05 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.09 1vdy h ILE 64 Cb 1.34 0.10 -0.15 0.00 -0.74 0.00 0.00 36.82 37.37 1vdy h ILE 64 CO 0.15 0.00 0.33 0.58 0.00 0.00 0.00 178.15 179.20 1vdy h VAL 65 N -0.48 0.24 0.85 1.67 2.07 -1.80 -1.82 116.25 116.99 1vdy h VAL 65 Ca 0.08 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1vdy h VAL 65 Cb 0.63 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1vdy h VAL 65 CO -0.44 0.04 -0.41 0.11 0.02 0.00 0.00 177.57 176.88 1vdy h LYS 66 N 0.20 -1.11 -0.88 1.57 1.57 -1.52 -2.84 116.57 113.57 1vdy h LYS 66 Ca 0.64 0.08 0.18 0.00 -1.87 0.00 0.00 60.65 59.67 1vdy h LYS 66 Cb 1.39 0.25 -0.11 0.00 0.08 0.00 0.00 32.23 33.84 1vdy h LYS 66 CO -0.69 -0.74 0.43 0.37 -0.57 0.00 0.00 179.45 178.26 1vdy h GLN 67 N -1.30 0.52 -0.45 3.15 5.75 -1.28 0.06 115.11 121.56 1vdy h GLN 67 Ca -0.12 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.39 1vdy h GLN 67 Cb 0.88 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.27 1vdy h GLN 67 CO 0.19 0.35 0.23 0.87 -2.65 0.00 0.00 178.83 177.82 1vdy h LYS 68 N 0.54 0.45 -0.60 1.69 1.57 -1.41 -2.20 116.57 116.62 1vdy h LYS 68 Ca 0.51 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.24 1vdy h LYS 68 Cb 0.84 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1vdy h LYS 68 CO -0.43 0.30 0.29 0.00 -0.57 0.00 0.00 179.45 179.04 1vdy h ALA 69 N 1.24 0.78 -0.18 3.86 0.00 -0.77 -2.40 119.26 121.78 1vdy h ALA 69 Ca 0.20 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1vdy h ALA 69 Cb 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1vdy h ALA 69 CO -0.13 0.33 -0.32 -0.07 0.00 0.00 0.00 179.25 179.06 1vdy h LEU 70 N 0.82 -1.01 -0.67 0.00 -0.00 -0.67 0.11 115.31 113.89 1vdy h LEU 70 Ca 0.21 0.15 -0.03 0.00 -0.00 0.00 0.00 57.88 58.21 1vdy h LEU 70 Cb 0.11 0.44 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 1vdy h LEU 70 CO -0.03 -0.35 0.30 -0.09 -0.00 0.00 0.00 178.44 178.27 1vdy h ARG 71 N -0.37 0.98 -0.42 1.13 1.12 -1.41 -2.86 114.38 112.56 1vdy h ARG 71 Ca 0.11 -0.16 -0.01 0.00 -1.11 0.00 0.00 59.98 58.81 1vdy h ARG 71 Cb 0.54 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 1vdy h ARG 71 CO -0.38 0.80 0.23 1.25 -3.11 0.00 0.00 179.97 178.75 1vdy h LEU 72 N 0.94 0.52 -0.05 3.80 5.85 -0.83 -1.38 115.31 124.15 1vdy h LEU 72 Ca 0.23 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1vdy h LEU 72 Cb 0.16 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1vdy h LEU 72 CO -0.02 0.45 -0.25 0.40 -0.34 0.00 0.00 178.44 178.68 1vdy h ILE 73 N 0.54 0.42 -0.68 4.05 2.04 -0.80 0.27 117.51 123.35 1vdy h ILE 73 Ca 0.15 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 1vdy h ILE 73 Cb 0.05 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1vdy h ILE 73 CO -0.02 0.00 0.18 0.07 0.00 0.00 0.00 178.15 178.37 1vdy h LYS 74 N -0.36 1.09 -0.48 2.37 2.10 -1.40 0.16 116.57 120.05 1vdy h LYS 74 Ca 0.08 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1vdy h LYS 74 Cb 0.47 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 1vdy h LYS 74 CO -0.25 0.96 0.30 -0.92 -2.00 0.00 0.00 179.45 177.54 1vdy h TYR 75 N 1.02 0.61 0.20 0.07 5.03 -0.73 -3.24 116.97 119.92 1vdy h TYR 75 Ca 0.22 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.52 1vdy h TYR 75 Cb 0.35 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1vdy h TYR 75 CO 0.03 0.40 -0.09 0.00 -1.32 0.00 0.00 178.16 177.18 1vdy h ALA 76 N 1.16 -0.26 0.00 1.82 0.00 -0.24 -3.32 119.26 118.41 1vdy h ALA 76 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vdy h ALA 76 Cb -0.05 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1vdy h ALA 76 CO -0.04 -0.39 0.24 -0.24 0.00 0.00 0.00 179.25 178.82 1vdy h VAL 77 N -0.79 0.00 0.00 0.00 3.04 -0.75 0.11 116.25 117.86 1vdy h VAL 77 Ca -0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1vdy h VAL 77 Cb 0.51 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 1vdy h VAL 77 CO 0.04 0.00 -0.64 0.61 -1.01 0.00 0.00 177.57 176.57 1vdy n GLY 78 N -1.21 -1.41 0.00 3.17 0.00 -1.22 -4.63 105.19 99.89 1vdy n GLY 78 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1vdy n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vdy n LYS 79 N -2.11 2.36 0.06 1.61 2.85 -0.54 -4.88 118.16 117.50 1vdy n LYS 79 Ca 0.03 0.00 0.17 0.00 -1.05 0.00 0.00 58.31 57.47 1vdy n LYS 79 Cb 0.44 -0.61 0.68 0.00 -0.65 0.00 0.00 35.03 34.89 1vdy n LYS 79 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1vdy h SER 80 N 0.00 0.00 -4.41 -5.58 0.02 -1.09 -3.48 113.55 99.02 1vdy h SER 80 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vdy h SER 80 Cb 0.13 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1vdy h SER 80 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1vdy n GLY 81 N -1.62 3.26 0.22 -3.77 0.00 -1.26 -4.45 105.19 97.58 1vdy n GLY 81 Ca 0.07 -1.84 0.09 0.00 0.00 0.00 0.00 46.02 44.34 1vdy n GLY 81 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vdy h SER 82 N 0.00 0.00 0.41 1.61 0.02 -1.92 -3.23 113.55 110.44 1vdy h SER 82 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1vdy h SER 82 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1vdy h SER 82 CO 0.00 0.24 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.41 1vdy h GLU 83 N 0.00 -0.52 -0.93 3.45 3.07 -1.99 -2.90 114.58 114.76 1vdy h GLU 83 Ca -0.00 0.04 0.25 0.00 -0.50 0.00 0.00 59.36 59.14 1vdy h GLU 83 Cb 0.61 0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.59 1vdy h GLU 83 CO 0.03 -0.24 0.65 0.35 -1.40 0.00 0.00 179.01 178.40 1vdy h PHE 84 N -0.78 0.20 0.57 4.33 3.57 -1.88 -0.54 116.94 122.41 1vdy h PHE 84 Ca -0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1vdy h PHE 84 Cb 0.53 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.21 1vdy h PHE 84 CO 0.00 0.04 -0.27 -0.09 -2.23 0.00 0.00 178.31 175.76 1vdy h ARG 85 N 0.14 -0.73 -0.56 1.11 2.43 -1.61 -2.94 114.38 112.23 1vdy h ARG 85 Ca 0.46 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.78 1vdy h ARG 85 Cb 1.58 0.17 -0.11 0.00 -0.42 0.00 0.00 29.97 31.19 1vdy h ARG 85 CO -0.08 -0.44 -0.32 0.00 -1.51 0.00 0.00 179.97 177.62 1vdy h ARG 86 N -0.90 -0.16 -0.80 0.20 2.47 -1.04 -0.40 114.38 113.76 1vdy h ARG 86 Ca -0.08 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.70 1vdy h ARG 86 Cb 0.63 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.94 1vdy h ARG 86 CO 0.13 -0.11 0.50 0.93 0.56 0.00 0.00 179.97 181.98 1vdy h GLU 87 N -0.17 0.91 -0.30 0.04 4.39 -1.60 -2.49 114.58 115.37 1vdy h GLU 87 Ca 0.23 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.71 1vdy h GLU 87 Cb 0.54 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1vdy h GLU 87 CO -0.65 0.61 -0.45 1.98 -1.16 0.00 0.00 179.01 179.34 1vdy h MET 88 N 0.94 0.77 -0.73 2.33 4.05 -0.94 -3.17 114.93 118.18 1vdy h MET 88 Ca 0.33 -0.43 0.08 0.00 -0.28 0.00 0.00 59.70 59.40 1vdy h MET 88 Cb 0.08 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.85 1vdy h MET 88 CO -0.14 1.06 0.40 1.96 0.23 0.00 0.00 176.91 180.42 1vdy h GLN 89 N 0.62 0.68 0.00 0.39 4.20 -0.69 -0.70 115.11 119.62 1vdy h GLN 89 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1vdy h GLN 89 Cb 1.01 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 1vdy h GLN 89 CO 0.10 0.45 -0.07 0.00 -0.67 0.00 0.00 178.83 178.64 1vdy h ARG 90 N 0.71 0.00 -0.03 1.46 3.08 -1.49 -2.86 114.38 115.25 1vdy h ARG 90 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1vdy h ARG 90 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1vdy h ARG 90 CO -0.22 0.07 0.00 0.09 -1.07 0.00 0.00 179.97 178.84 1vdy n ASN 91 N -3.35 2.34 0.22 7.04 3.02 -0.82 -4.78 115.26 118.94 1vdy n ASN 91 Ca -0.01 -2.68 0.13 0.00 -0.03 0.00 0.00 54.58 51.99 1vdy n ASN 91 Cb 0.24 -0.28 0.71 0.00 -0.61 0.00 0.00 39.78 39.84 1vdy n ASN 91 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1vdy h SER 92 N 0.17 0.00 -0.65 6.41 4.64 -0.91 -2.48 113.55 120.74 1vdy h SER 92 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1vdy h SER 92 Cb 0.85 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 1vdy h SER 92 CO 0.01 0.00 0.44 1.62 -0.87 0.00 0.00 176.83 178.03 1vdy h VAL 93 N 0.00 0.79 -0.13 0.95 3.04 -1.86 -1.79 116.25 117.25 1vdy h VAL 93 Ca 0.00 -0.09 0.04 0.00 -1.01 0.00 0.00 66.70 65.64 1vdy h VAL 93 Cb 0.21 0.51 -0.04 0.00 -2.01 0.00 0.00 31.29 29.96 1vdy h VAL 93 CO 0.00 0.05 -0.10 0.00 -1.01 0.00 0.00 177.57 176.51 1vdy h ALA 94 N 1.69 -0.00 -0.21 3.17 0.00 -1.85 0.77 119.26 122.82 1vdy h ALA 94 Ca 0.31 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1vdy h ALA 94 Cb 0.86 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1vdy h ALA 94 CO -0.07 -0.55 -0.17 0.28 0.00 0.00 0.00 179.25 178.74 1vdy h VAL 95 N -0.12 1.32 -0.21 0.00 2.07 -1.59 -3.17 116.25 114.56 1vdy h VAL 95 Ca 0.08 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.36 1vdy h VAL 95 Cb 0.24 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1vdy h VAL 95 CO -0.20 0.40 0.15 0.03 0.02 0.00 0.00 177.57 177.97 1vdy h ARG 96 N 0.18 0.03 0.00 1.57 3.08 -0.95 -1.23 114.38 117.06 1vdy h ARG 96 Ca 0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1vdy h ARG 96 Cb 0.70 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1vdy h ARG 96 CO 0.04 0.02 -0.01 -2.95 -1.07 0.00 0.00 179.97 176.01 1vdy h ASN 97 N 0.03 0.00 0.27 7.04 7.08 -0.83 -3.18 115.58 125.98 1vdy h ASN 97 Ca 0.10 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.31 1vdy h ASN 97 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.59 1vdy h ASN 97 CO -0.00 0.00 -0.02 0.18 -2.08 0.00 0.00 177.43 175.50 1vdy n LEU 98 N -2.34 0.20 0.01 6.14 4.77 -0.46 -3.91 117.00 121.40 1vdy n LEU 98 Ca 0.05 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1vdy n LEU 98 Cb 0.44 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1vdy n LEU 98 CO 0.31 0.03 0.51 0.49 -1.33 0.00 0.00 177.39 177.41 1vdy n PHE 99 N -1.01 0.03 -2.41 -1.77 3.72 -1.20 -1.45 117.46 113.36 1vdy n PHE 99 Ca 0.18 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1vdy n PHE 99 Cb 0.21 -0.46 0.01 0.00 -0.94 0.00 0.00 39.48 38.30 1vdy n PHE 99 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1vdy n HIS 100 N -1.47 0.02 -2.08 1.38 1.44 -1.25 -5.04 115.22 108.22 1vdy n HIS 100 Ca -0.00 -0.78 -0.28 0.00 -2.01 0.00 0.00 57.72 54.65 1vdy n HIS 100 Cb 0.07 0.13 -0.05 0.00 0.12 0.00 0.00 29.99 30.26 1vdy n HIS 100 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1vdy s TYR 101 N -0.47 1.91 0.39 -1.40 5.04 -0.53 -4.75 117.35 117.54 1vdy s TYR 101 Ca 0.22 0.47 0.11 0.00 -2.44 0.00 0.00 57.07 55.44 1vdy s TYR 101 Cb 0.28 -4.06 0.78 0.00 0.35 0.00 0.00 41.96 39.31 1vdy s TYR 101 CO -0.10 -1.55 1.89 -0.22 -1.34 0.00 0.00 175.55 174.23 1vdy h LYS 102 N 10.57 0.12 0.00 4.97 1.63 -1.91 -3.42 116.57 128.54 1vdy h LYS 102 Ca 0.15 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1vdy h LYS 102 Cb 0.98 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1vdy h LYS 102 CO 1.23 0.36 0.00 0.41 -3.45 0.00 0.00 179.45 177.99 1vdy n GLY 103 N -0.73 2.65 3.06 5.01 0.00 -1.26 -4.76 105.19 109.15 1vdy n GLY 103 Ca -0.01 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1vdy n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vdy s HIS 104 N 0.00 0.52 0.92 1.61 0.09 -1.26 -5.15 115.29 112.01 1vdy s HIS 104 Ca 0.00 -0.77 -0.12 0.00 -0.00 0.00 0.00 55.06 54.17 1vdy s HIS 104 Cb 0.00 -0.35 0.14 0.00 -0.00 0.00 0.00 32.58 32.38 1vdy s HIS 104 CO 0.00 -0.23 1.12 -1.25 -0.00 0.00 0.00 174.74 174.38 1vdy s PRO 105 N -2.69 1.09 -0.01 8.40 0.04 -1.26 -4.39 135.00 136.18 1vdy s PRO 105 Ca -0.03 0.41 -0.12 0.00 0.04 0.00 0.00 61.00 61.31 1vdy s PRO 105 Cb -0.02 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1vdy s PRO 105 CO -0.04 -2.26 0.24 -0.51 0.04 0.00 0.00 177.00 174.47 1vdy s ASP 106 N -3.84 -0.11 0.43 6.66 1.01 -1.26 -4.88 116.67 114.68 1vdy s ASP 106 Ca 0.64 -0.01 0.23 0.00 0.71 0.00 0.00 52.55 54.11 1vdy s ASP 106 Cb -0.16 0.28 0.92 0.00 1.01 0.00 0.00 42.92 44.97 1vdy s ASP 106 CO 0.55 -0.40 1.83 1.55 0.21 0.00 0.00 175.17 178.91 1vdy h PRO 107 N 4.10 0.00 0.10 8.23 0.13 -1.99 -2.60 132.00 139.97 1vdy h PRO 107 Ca -0.30 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1vdy h PRO 107 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1vdy h PRO 107 CO 0.40 0.26 -0.05 1.37 -0.23 0.00 0.00 178.00 179.75 1vdy h LEU 108 N 0.00 -0.12 0.00 1.56 -0.00 -2.04 -3.45 115.31 111.27 1vdy h LEU 108 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1vdy h LEU 108 Cb 0.73 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1vdy h LEU 108 CO 0.03 0.14 -0.56 0.29 -0.00 0.00 0.00 178.44 178.34 1vdy n LYS 109 N -3.58 0.29 -0.96 0.17 4.76 -1.25 -5.13 118.16 112.47 1vdy n LYS 109 Ca -0.02 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1vdy n LYS 109 Cb 0.05 -0.98 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 1vdy n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vdy n GLY 110 N 2.02 -2.03 3.64 0.72 0.00 -0.98 -4.74 105.19 103.82 1vdy n GLY 110 Ca -0.08 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 1vdy n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vdy n ASP 111 N 0.00 -4.22 -0.02 1.61 2.03 -1.26 -4.86 116.55 109.83 1vdy n ASP 111 Ca 0.00 -0.60 -0.05 0.00 0.52 0.00 0.00 54.79 54.67 1vdy n ASP 111 Cb 0.00 -3.43 -0.02 0.00 -0.72 0.00 0.00 41.12 36.95 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vdy n ALA 112 N -4.02 1.93 -0.26 -1.67 0.00 -1.26 -4.05 120.51 111.18 1vdy n ALA 112 Ca 0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.00 1vdy n ALA 112 Cb 0.53 0.14 0.07 0.00 0.00 0.00 0.00 19.45 20.20 1vdy n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vdy h LEU 113 N -0.50 0.77 -0.52 0.00 3.38 -1.97 -1.96 115.31 114.52 1vdy h LEU 113 Ca -0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1vdy h LEU 113 Cb 0.50 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1vdy h LEU 113 CO -0.00 0.54 -0.69 -0.55 0.09 0.00 0.00 178.44 177.83 1vdy h ASN 114 N 0.92 0.29 -0.54 -0.43 7.08 -1.87 -3.09 115.58 117.94 1vdy h ASN 114 Ca 0.28 -0.19 -0.00 0.00 -3.08 0.00 0.00 56.30 53.31 1vdy h ASN 114 Cb -0.03 -0.08 -0.03 0.00 -2.08 0.00 0.00 38.32 36.10 1vdy h ASN 114 CO -0.09 0.89 0.33 0.50 -2.08 0.00 0.00 177.43 176.98 1vdy h LYS 115 N 0.17 0.74 -0.00 4.14 3.11 -1.58 -1.50 116.57 121.64 1vdy h LYS 115 Ca -0.02 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1vdy h LYS 115 Cb 1.24 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1vdy h LYS 115 CO 0.11 0.53 0.02 0.00 -2.81 0.00 0.00 179.45 177.30 1vdy h ALA 116 N 1.17 1.10 0.45 5.00 0.00 -1.29 -2.32 119.26 123.37 1vdy h ALA 116 Ca 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1vdy h ALA 116 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1vdy h ALA 116 CO -0.04 -0.03 -0.21 0.28 0.00 0.00 0.00 179.25 179.25 1vdy h VAL 117 N 0.00 0.00 -0.83 0.00 2.07 -1.26 -3.28 116.25 112.95 1vdy h VAL 117 Ca 0.00 -0.40 0.17 0.00 0.82 0.00 0.00 66.70 67.29 1vdy h VAL 117 Cb 0.05 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.76 1vdy h VAL 117 CO -0.00 0.00 0.55 0.08 0.02 0.00 0.00 177.57 178.22 1vdy h ARG 118 N -1.00 0.45 -0.45 1.57 -0.00 -1.39 -1.93 114.38 111.65 1vdy h ARG 118 Ca -0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.89 1vdy h ARG 118 Cb 0.46 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 30.31 1vdy h ARG 118 CO 0.10 0.30 0.29 0.93 -0.00 0.00 0.00 179.97 181.59 1vdy h GLU 119 N 0.47 0.59 0.00 0.08 5.08 -1.55 -2.82 114.58 116.43 1vdy h GLU 119 Ca 0.42 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.54 1vdy h GLU 119 Cb 0.93 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1vdy h GLU 119 CO -0.15 0.41 -0.87 1.15 -1.00 0.00 0.00 179.01 178.54 1vdy h THR 120 N 0.60 1.49 -1.13 1.13 2.02 -1.43 -3.27 112.91 112.32 1vdy h THR 120 Ca 0.16 -2.59 0.32 0.00 0.77 0.00 0.00 66.41 65.07 1vdy h THR 120 Cb -0.05 2.45 -0.09 0.00 -1.74 0.00 0.00 68.15 68.71 1vdy h THR 120 CO -0.03 0.76 0.75 0.00 0.37 0.00 0.00 175.52 177.36 1vdy h ALA 121 N 0.98 2.53 -0.09 6.16 0.00 -1.11 0.22 119.26 127.95 1vdy h ALA 121 Ca -0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1vdy h ALA 121 Cb 1.49 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1vdy h ALA 121 CO 0.13 -0.97 0.03 0.45 0.00 0.00 0.00 179.25 178.89 1vdy h HIS 122 N 0.25 0.14 -0.40 0.00 3.86 -1.65 -1.43 115.15 115.92 1vdy h HIS 122 Ca 0.63 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.82 1vdy h HIS 122 Cb 1.89 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 30.30 1vdy h HIS 122 CO -0.00 0.27 0.20 0.93 0.86 0.00 0.00 177.93 180.19 1vdy h GLU 123 N -0.04 0.57 -0.31 2.45 5.08 -1.19 -2.81 114.58 118.33 1vdy h GLU 123 Ca 0.03 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1vdy h GLU 123 Cb 0.20 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1vdy h GLU 123 CO -0.00 0.49 0.09 1.15 -1.00 0.00 0.00 179.01 179.74 1vdy h THR 124 N 0.51 0.89 -0.58 1.13 2.02 -1.13 0.29 112.91 116.04 1vdy h THR 124 Ca 0.14 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1vdy h THR 124 Cb 0.10 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1vdy h THR 124 CO -0.02 0.04 0.31 0.40 0.37 0.00 0.00 175.52 176.62 1vdy h ILE 125 N 0.22 1.19 -0.91 3.11 1.08 -1.21 -0.62 117.51 120.37 1vdy h ILE 125 Ca 0.14 -0.50 0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1vdy h ILE 125 Cb 0.13 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 34.30 1vdy h ILE 125 CO -0.16 0.21 0.60 -1.28 -0.69 0.00 0.00 178.15 176.83 1vdy h SER 126 N 0.78 1.02 0.16 1.72 0.87 -1.18 -0.80 113.55 116.13 1vdy h SER 126 Ca 0.20 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 1vdy h SER 126 Cb 0.06 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1vdy h SER 126 CO -0.03 0.73 -0.39 0.00 -0.53 0.00 0.00 176.83 176.61 1vdy h ALA 127 N 1.35 1.08 0.16 6.23 0.00 -0.41 -1.46 119.26 126.20 1vdy h ALA 127 Ca 0.34 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1vdy h ALA 127 Cb -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1vdy h ALA 127 CO -0.09 0.59 -0.07 0.82 0.00 0.00 0.00 179.25 180.49 1vdy h ILE 128 N 0.26 0.98 -0.62 0.00 2.04 -0.36 -3.22 117.51 116.59 1vdy h ILE 128 Ca 0.03 -0.90 -0.38 0.00 1.00 0.00 0.00 64.86 64.61 1vdy h ILE 128 Cb 0.80 1.51 -0.15 0.00 -0.74 0.00 0.00 36.82 38.24 1vdy h ILE 128 CO 0.06 0.20 0.42 0.49 0.00 0.00 0.00 178.15 179.33 1vdy n PHE 129 N -4.98 1.61 0.25 1.37 3.01 -0.38 -4.62 117.46 113.71 1vdy n PHE 129 Ca -0.09 -2.00 0.14 0.00 1.01 0.00 0.00 57.45 56.51 1vdy n PHE 129 Cb 0.25 -1.08 0.43 0.00 -0.01 0.00 0.00 39.48 39.08 1vdy n PHE 129 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1vdy h SER 130 N 1.84 0.00 -3.40 4.37 0.87 -1.27 -3.43 113.55 112.53 1vdy h SER 130 Ca 0.32 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.39 1vdy h SER 130 Cb 0.87 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1vdy h SER 130 CO 0.82 0.02 -0.00 -1.61 -0.53 0.00 0.00 176.83 175.53 1vdy s GLU 131 N -3.45 3.63 -1.31 2.24 0.41 -1.26 -4.25 118.70 114.71 1vdy s GLU 131 Ca 0.04 0.16 -0.05 0.00 -0.41 0.00 0.00 54.97 54.70 1vdy s GLU 131 Cb 0.07 -2.50 0.03 0.00 -1.78 0.00 0.00 34.13 29.96 1vdy s GLU 131 CO 0.61 0.02 0.37 -1.91 -0.49 0.00 0.00 175.26 173.86 1vdy n GLU 132 N -1.50 -3.39 -2.44 1.61 2.13 -1.26 -4.91 120.64 110.88 1vdy n GLU 132 Ca -0.00 0.63 -0.40 0.00 0.66 0.00 0.00 57.16 58.05 1vdy n GLU 132 Cb 0.54 -5.35 -0.03 0.00 0.27 0.00 0.00 31.44 26.87 1vdy n GLU 132 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1vdy s ASN 133 N -2.51 6.02 -1.22 4.31 3.84 -1.26 -4.20 114.94 119.92 1vdy s ASN 133 Ca 0.26 -0.53 -0.08 0.00 0.21 0.00 0.00 52.86 52.72 1vdy s ASN 133 Cb -0.13 -2.56 -0.01 0.00 -0.55 0.00 0.00 41.25 38.00 1vdy s ASN 133 CO 0.32 -1.92 0.75 0.61 -2.79 0.00 0.00 177.10 174.06 1vdy n GLY 134 N 5.82 -0.65 3.42 1.21 0.00 -1.26 -4.98 105.19 108.75 1vdy n GLY 134 Ca 0.14 0.31 -0.38 0.00 0.00 0.00 0.00 46.02 46.09 1vdy n GLY 134 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vdy s SER 135 N -3.92 5.38 0.69 1.61 1.04 -1.26 -4.91 113.70 112.32 1vdy s SER 135 Ca 0.23 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1vdy s SER 135 Cb -0.06 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1vdy s SER 135 CO 0.82 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.49 1vdy n GLY 136 N 4.95 1.52 3.78 7.32 0.00 -1.26 -4.86 105.19 116.64 1vdy n GLY 136 Ca -0.14 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1vdy n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vdy s PRO 137 N 0.00 3.43 0.79 1.61 0.04 -1.26 -5.00 135.00 134.60 1vdy s PRO 137 Ca 0.00 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 1vdy s PRO 137 Cb 0.00 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1vdy s PRO 137 CO 0.00 -0.78 1.14 -1.12 0.04 0.00 0.00 177.00 176.28 1vdy s SER 138 N -1.83 4.03 -1.37 6.66 0.01 -1.26 -4.89 113.70 115.05 1vdy s SER 138 Ca 0.72 2.11 -0.12 0.00 1.31 0.00 0.00 55.95 59.96 1vdy s SER 138 Cb -0.22 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.55 1vdy s SER 138 CO 0.26 -2.36 2.03 -0.24 0.41 0.00 0.00 173.24 173.34 1vdy n SER 139 N -3.35 4.49 0.00 2.44 2.88 -1.26 -5.04 113.62 113.77 1vdy n SER 139 Ca 0.11 -2.97 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 1vdy n SER 139 Cb 0.52 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1vdy n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42