#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 6.55 0.45 1.61 0.15 -1.26 -4.99 113.70 116.21 1vdy s SER 2 Ca 0.00 1.54 0.26 0.00 0.70 0.00 0.00 55.95 58.44 1vdy s SER 2 Cb 0.00 -2.50 0.65 0.00 -1.71 0.00 0.00 66.02 62.46 1vdy s SER 2 CO 0.00 -0.63 1.72 0.77 1.20 0.00 0.00 173.24 176.30 1vdy h SER 3 N 0.71 0.00 0.00 5.45 4.64 -2.06 -3.42 113.55 118.87 1vdy h SER 3 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1vdy h SER 3 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1vdy h SER 3 CO 0.62 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 1vdy n GLY 4 N 0.82 0.00 0.33 -0.77 0.00 -1.26 -0.65 105.19 103.65 1vdy n GLY 4 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.25 1vdy n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vdy h SER 5 N 0.00 0.32 0.40 1.61 4.64 -1.97 0.74 113.55 119.29 1vdy h SER 5 Ca 0.00 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1vdy h SER 5 Cb 0.00 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1vdy h SER 5 CO 0.00 -0.13 0.00 0.28 -0.87 0.00 0.00 176.83 176.11 1vdy h SER 6 N 0.29 0.00 0.00 4.97 0.02 -1.25 -2.63 113.55 114.94 1vdy h SER 6 Ca 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.61 1vdy h SER 6 Cb 1.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1vdy h SER 6 CO -0.62 0.00 -0.06 0.61 -1.14 0.00 0.00 176.83 175.61 1vdy n GLY 7 N -0.63 1.60 3.57 -3.77 0.00 0.13 -5.01 105.19 101.09 1vdy n GLY 7 Ca -0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 1vdy n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vdy s GLU 8 N -1.03 2.40 0.17 1.61 2.56 -0.49 -4.82 118.70 119.12 1vdy s GLU 8 Ca 0.07 -0.77 -0.15 0.00 0.00 0.00 0.00 54.97 54.12 1vdy s GLU 8 Cb 0.06 -5.15 0.14 0.00 2.00 0.00 0.00 34.13 31.18 1vdy s GLU 8 CO 0.01 -3.90 1.71 0.66 -0.56 0.00 0.00 175.26 173.18 1vdy h SER 9 N 10.46 -0.08 -0.67 -1.70 4.64 -1.90 -2.24 113.55 122.06 1vdy h SER 9 Ca 0.16 0.09 0.05 0.00 -0.47 0.00 0.00 61.79 61.62 1vdy h SER 9 Cb 0.97 0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 1vdy h SER 9 CO 1.20 -0.01 0.44 0.10 -0.87 0.00 0.00 176.83 177.69 1vdy h TYR 10 N 0.17 0.71 0.71 4.77 -0.00 -1.98 -1.61 116.97 119.73 1vdy h TYR 10 Ca 0.22 0.02 -0.03 0.00 0.00 0.00 0.00 58.73 58.93 1vdy h TYR 10 Cb 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 36.73 36.79 1vdy h TYR 10 CO -0.25 0.39 -0.43 2.35 -0.00 0.00 0.00 178.16 180.23 1vdy h TRP 11 N 0.71 -1.13 -0.49 0.10 -0.00 -1.81 0.14 115.95 113.47 1vdy h TRP 11 Ca 0.28 -0.01 0.05 0.00 -0.00 0.00 0.00 58.89 59.21 1vdy h TRP 11 Cb 0.21 0.40 -0.05 0.00 -0.00 0.00 0.00 29.16 29.72 1vdy h TRP 11 CO -0.00 -0.64 0.23 0.00 -0.00 0.00 0.00 178.44 178.03 1vdy h ARG 12 N -1.06 0.44 -0.35 2.65 3.08 -1.53 -2.15 114.38 115.46 1vdy h ARG 12 Ca -0.10 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.00 1vdy h ARG 12 Cb 0.84 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.73 1vdy h ARG 12 CO 0.10 0.29 -0.09 1.03 -1.07 0.00 0.00 179.97 180.24 1vdy h SER 13 N 0.45 -0.33 -0.55 7.04 0.87 -1.13 -2.81 113.55 117.10 1vdy h SER 13 Ca 0.22 0.10 0.11 0.00 -1.23 0.00 0.00 61.79 61.00 1vdy h SER 13 Cb 0.15 0.22 -0.10 0.00 -0.44 0.00 0.00 62.40 62.23 1vdy h SER 13 CO -0.17 -0.12 -0.07 0.03 -0.53 0.00 0.00 176.83 175.98 1vdy h ARG 14 N -0.00 0.06 -0.61 2.24 2.47 -0.03 0.20 114.38 118.71 1vdy h ARG 14 Ca 0.17 -0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.90 1vdy h ARG 14 Cb 0.26 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.53 1vdy h ARG 14 CO -0.36 0.04 0.39 0.52 0.56 0.00 0.00 179.97 181.11 1vdy h MET 15 N 0.06 0.75 -0.03 0.04 2.86 -1.44 0.86 114.93 118.03 1vdy h MET 15 Ca 0.28 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1vdy h MET 15 Cb 0.43 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1vdy h MET 15 CO -0.52 0.50 -0.08 0.82 1.06 0.00 0.00 176.91 178.69 1vdy h ILE 16 N 0.78 1.46 -0.86 -1.22 1.08 -1.36 -3.22 117.51 114.17 1vdy h ILE 16 Ca 0.23 -1.47 0.11 0.00 -0.39 0.00 0.00 64.86 63.34 1vdy h ILE 16 Cb -0.03 2.36 -0.06 0.00 -3.07 0.00 0.00 36.82 36.02 1vdy h ILE 16 CO -0.08 0.40 0.55 -0.78 -0.69 0.00 0.00 178.15 177.55 1vdy h ASP 17 N -0.45 0.71 0.68 1.72 3.58 -0.47 -0.61 116.42 121.58 1vdy h ASP 17 Ca -0.00 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1vdy h ASP 17 Cb 0.69 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 1vdy h ASP 17 CO 0.02 0.41 -0.10 0.00 -2.88 0.00 0.00 179.24 176.69 1vdy h ALA 18 N 1.58 1.09 -0.01 -0.78 0.00 -0.83 0.14 119.26 120.46 1vdy h ALA 18 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1vdy h ALA 18 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1vdy h ALA 18 CO -0.17 0.12 -0.46 1.33 0.00 0.00 0.00 179.25 180.07 1vdy n VAL 19 N -3.33 0.00 -1.16 0.00 0.24 -0.57 -4.41 118.33 109.10 1vdy n VAL 19 Ca -0.01 -0.27 0.09 0.00 -2.04 0.00 0.00 64.34 62.12 1vdy n VAL 19 Cb 0.29 1.09 0.13 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.69 1.77 -1.72 3.34 -2.24 -0.34 -4.74 114.28 109.66 1vdy n THR 20 Ca 0.04 -2.16 -0.38 0.00 -2.27 0.00 0.00 64.05 59.29 1vdy n THR 20 Cb 0.26 -0.19 0.06 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.33 2.08 0.32 3.42 7.64 0.46 -4.68 113.62 121.54 1vdy n SER 21 Ca 0.15 0.87 0.20 0.00 1.01 0.00 0.00 58.87 61.10 1vdy n SER 21 Cb 0.65 -1.54 1.06 0.00 -1.01 0.00 0.00 64.21 63.37 1vdy n SER 21 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1vdy h ASP 22 N 0.79 0.00 -3.99 6.43 3.04 -1.97 -3.43 116.42 117.28 1vdy h ASP 22 Ca -0.51 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 52.74 1vdy h ASP 22 Cb 1.33 0.00 0.12 0.00 -1.04 0.00 0.00 39.33 39.74 1vdy h ASP 22 CO 0.54 0.00 0.70 -1.83 -2.04 0.00 0.00 179.24 176.61 1vdy s GLU 23 N -4.20 3.66 0.00 4.15 -1.05 -1.26 -4.80 118.70 115.20 1vdy s GLU 23 Ca -0.04 2.42 0.24 0.00 -0.15 0.00 0.00 54.97 57.43 1vdy s GLU 23 Cb 0.12 -2.64 1.04 0.00 -0.44 0.00 0.00 34.13 32.20 1vdy s GLU 23 CO 0.39 -0.84 1.76 -3.47 0.95 0.00 0.00 175.26 174.05 1vdy n ASP 24 N -0.22 0.00 -4.49 0.83 2.03 -1.26 -4.81 116.55 108.62 1vdy n ASP 24 Ca 0.05 0.42 -0.54 0.00 0.52 0.00 0.00 54.79 55.24 1vdy n ASP 24 Cb 0.42 -0.47 -0.08 0.00 -0.72 0.00 0.00 41.12 40.27 1vdy n ASP 24 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1vdy n LYS 25 N -1.47 0.98 -1.61 -0.67 0.00 -1.26 -4.83 118.16 109.30 1vdy n LYS 25 Ca 0.07 0.30 -0.45 0.00 0.00 0.00 0.00 58.31 58.22 1vdy n LYS 25 Cb 0.26 -2.23 -0.02 0.00 0.00 0.00 0.00 35.03 33.04 1vdy n LYS 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1vdy n VAL 26 N 6.35 1.67 -1.65 3.15 3.14 -1.26 -4.87 118.33 124.86 1vdy n VAL 26 Ca 0.39 -0.42 -0.43 0.00 -2.96 0.00 0.00 64.34 60.92 1vdy n VAL 26 Cb 0.17 -1.08 -0.03 0.00 -1.06 0.00 0.00 33.84 31.84 1vdy n VAL 26 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vdy s ALA 27 N -0.79 2.89 0.68 1.55 0.00 -1.26 -4.97 121.76 119.85 1vdy s ALA 27 Ca 0.62 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 53.28 1vdy s ALA 27 Cb -0.71 -4.03 0.01 0.00 0.00 0.00 0.00 23.12 18.39 1vdy s ALA 27 CO 0.58 -2.56 1.08 -1.25 0.00 0.00 0.00 175.76 173.61 1vdy s PRO 28 N 5.96 2.82 0.11 0.00 0.04 -1.26 -4.98 135.00 137.69 1vdy s PRO 28 Ca 0.97 1.23 -0.25 0.00 0.04 0.00 0.00 61.00 62.98 1vdy s PRO 28 Cb -0.34 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 1vdy s PRO 28 CO 0.36 -1.21 1.67 0.28 0.04 0.00 0.00 177.00 178.14 1vdy h VAL 29 N -0.26 0.62 -0.99 -0.36 2.07 -2.00 -2.98 116.25 112.35 1vdy h VAL 29 Ca -0.46 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.21 1vdy h VAL 29 Cb 1.23 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 1vdy h VAL 29 CO 0.55 0.00 0.62 0.10 0.02 0.00 0.00 177.57 178.86 1vdy h TYR 30 N -0.30 1.09 0.00 1.57 -0.00 -1.99 -0.50 116.97 116.84 1vdy h TYR 30 Ca 0.03 0.03 -0.08 0.00 0.00 0.00 0.00 58.73 58.71 1vdy h TYR 30 Cb 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 36.73 36.71 1vdy h TYR 30 CO -0.18 0.38 -0.40 0.87 -0.00 0.00 0.00 178.16 178.83 1vdy h LYS 31 N 0.90 0.00 -0.06 0.10 1.57 -1.92 -1.49 116.57 115.68 1vdy h LYS 31 Ca 0.51 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.12 1vdy h LYS 31 Cb 0.63 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1vdy h LYS 31 CO -0.29 0.40 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.27 1vdy h LEU 32 N 0.00 0.67 -1.19 2.94 3.38 -1.13 -3.20 115.31 116.78 1vdy h LEU 32 Ca -0.00 -0.70 -0.06 0.00 0.09 0.00 0.00 57.88 57.21 1vdy h LEU 32 Cb 0.80 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1vdy h LEU 32 CO 0.05 1.27 -0.05 -0.33 0.09 0.00 0.00 178.44 179.47 1vdy h GLU 33 N 0.13 0.51 -0.76 1.13 5.08 -1.00 -2.37 114.58 117.29 1vdy h GLU 33 Ca -0.06 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1vdy h GLU 33 Cb 1.32 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 1vdy h GLU 33 CO 0.13 0.57 0.40 0.93 -1.00 0.00 0.00 179.01 180.04 1vdy h GLU 34 N 0.48 1.07 0.55 2.33 5.08 -1.32 0.14 114.58 122.91 1vdy h GLU 34 Ca 0.10 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1vdy h GLU 34 Cb 0.38 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1vdy h GLU 34 CO 0.02 0.81 -0.26 0.82 -1.00 0.00 0.00 179.01 179.39 1vdy h ILE 35 N 1.06 0.43 -0.46 3.13 2.04 -1.44 0.52 117.51 122.79 1vdy h ILE 35 Ca 0.27 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1vdy h ILE 35 Cb 0.06 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1vdy h ILE 35 CO -0.04 0.03 0.26 0.00 0.00 0.00 0.00 178.15 178.40 1vdy h ASP 37 N 0.63 0.88 -0.19 0.00 3.32 -0.61 -1.57 116.42 118.88 1vdy h ASP 37 Ca 0.16 -0.53 -0.10 0.00 0.02 0.00 0.00 57.03 56.59 1vdy h ASP 37 Cb -0.00 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1vdy h ASP 37 CO -0.03 1.24 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.47 1vdy h LEU 38 N 0.55 0.63 0.09 1.55 -0.00 -0.46 0.64 115.31 118.29 1vdy h LEU 38 Ca 0.02 -0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1vdy h LEU 38 Cb 1.07 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1vdy h LEU 38 CO 0.11 0.82 -0.06 -0.07 -0.00 0.00 0.00 178.44 179.24 1vdy h LEU 39 N 0.56 -0.15 -0.79 1.67 3.38 -0.70 -0.71 115.31 118.57 1vdy h LEU 39 Ca 0.09 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1vdy h LEU 39 Cb 0.64 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1vdy h LEU 39 CO 0.05 -0.10 0.34 0.03 0.09 0.00 0.00 178.44 178.85 1vdy h ARG 40 N -0.15 1.16 0.00 1.13 3.08 -1.06 -2.06 114.38 116.49 1vdy h ARG 40 Ca -0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1vdy h ARG 40 Cb 0.13 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1vdy h ARG 40 CO 0.00 0.93 0.00 0.45 -1.07 0.00 0.00 179.97 180.28 1vdy n SER 41 N -4.32 0.00 -4.37 7.04 2.88 0.20 -4.86 113.62 110.19 1vdy n SER 41 Ca 0.07 -1.32 -0.19 0.00 -1.33 0.00 0.00 58.87 56.10 1vdy n SER 41 Cb 0.17 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.52 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 -1.56 2.53 0.71 -3.46 0.01 -0.31 -5.00 113.70 106.62 1vdy s SER 42 Ca 0.21 -1.11 -0.13 0.00 1.31 0.00 0.00 55.95 56.22 1vdy s SER 42 Cb 0.09 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.22 1vdy s SER 42 CO 0.16 -0.29 1.10 -2.28 0.41 0.00 0.00 173.24 172.34 1vdy s HIS 43 N -3.06 2.63 0.31 2.43 2.46 -1.26 -4.84 115.29 113.96 1vdy s HIS 43 Ca 0.26 1.55 0.07 0.00 0.47 0.00 0.00 55.06 57.40 1vdy s HIS 43 Cb 0.02 -3.10 0.77 0.00 -0.13 0.00 0.00 32.58 30.14 1vdy s HIS 43 CO 0.09 -1.70 1.77 -0.24 -2.47 0.00 0.00 174.74 172.19 1vdy h VAL 44 N -0.47 0.69 -0.62 0.89 3.04 -1.99 -0.27 116.25 117.52 1vdy h VAL 44 Ca -0.45 -0.25 0.06 0.00 -1.01 0.00 0.00 66.70 65.04 1vdy h VAL 44 Cb 1.24 -0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.37 1vdy h VAL 44 CO 0.53 0.13 0.41 0.28 -1.01 0.00 0.00 177.57 177.91 1vdy h SER 45 N 0.73 0.54 -0.34 3.17 0.02 -1.99 0.13 113.55 115.82 1vdy h SER 45 Ca 0.58 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.40 1vdy h SER 45 Cb 0.95 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1vdy h SER 45 CO -0.38 0.35 -0.31 0.40 -1.14 0.00 0.00 176.83 175.75 1vdy h ILE 46 N 0.62 1.29 -0.39 3.27 1.08 -1.40 -0.85 117.51 121.12 1vdy h ILE 46 Ca 0.26 -1.48 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 1vdy h ILE 46 Cb 0.26 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 1vdy h ILE 46 CO -0.08 0.48 0.25 0.58 -0.69 0.00 0.00 178.15 178.69 1vdy h VAL 47 N 0.59 1.08 -0.00 1.67 2.07 -1.02 0.52 116.25 121.15 1vdy h VAL 47 Ca 0.06 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1vdy h VAL 47 Cb 0.89 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1vdy h VAL 47 CO 0.08 0.09 0.00 0.11 0.02 0.00 0.00 177.57 177.87 1vdy h LYS 48 N 0.51 0.00 -0.80 1.57 1.57 -0.95 -2.78 116.57 115.70 1vdy h LYS 48 Ca 0.15 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1vdy h LYS 48 Cb -0.04 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1vdy h LYS 48 CO -0.05 0.07 0.52 0.93 -0.57 0.00 0.00 179.45 180.35 1vdy h GLU 49 N -0.06 0.99 -0.89 3.15 4.39 -0.82 -2.28 114.58 119.06 1vdy h GLU 49 Ca 0.00 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.69 1vdy h GLU 49 Cb 0.07 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.44 1vdy h GLU 49 CO -0.00 0.65 0.58 0.74 -1.16 0.00 0.00 179.01 179.82 1vdy h PHE 50 N 1.02 1.05 -0.92 4.33 0.04 -0.70 -1.86 116.94 119.91 1vdy h PHE 50 Ca 0.31 0.03 0.01 0.00 2.80 0.00 0.00 57.97 61.11 1vdy h PHE 50 Cb -0.03 -0.35 -0.05 0.00 2.20 0.00 0.00 35.95 37.73 1vdy h PHE 50 CO -0.03 0.59 0.59 0.66 -0.60 0.00 0.00 178.31 179.53 1vdy h SER 51 N 1.07 1.06 0.36 2.17 4.64 -1.14 -2.58 113.55 119.13 1vdy h SER 51 Ca 0.36 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1vdy h SER 51 Cb 0.09 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1vdy h SER 51 CO -0.12 0.78 -0.31 -0.33 -0.87 0.00 0.00 176.83 175.99 1vdy h GLU 52 N 1.25 -0.66 -0.95 4.77 4.39 -1.21 -2.45 114.58 119.72 1vdy h GLU 52 Ca 0.33 0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.16 1vdy h GLU 52 Cb -0.12 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.61 1vdy h GLU 52 CO -0.07 -0.44 0.62 0.74 -1.16 0.00 0.00 179.01 178.70 1vdy h PHE 53 N -0.68 1.10 -0.30 4.33 0.04 -1.32 -1.58 116.94 118.53 1vdy h PHE 53 Ca -0.03 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1vdy h PHE 53 Cb 0.60 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1vdy h PHE 53 CO -0.16 0.54 0.19 0.82 -0.60 0.00 0.00 178.31 179.10 1vdy h ILE 54 N 1.05 1.09 -0.14 -0.55 2.04 -1.15 -2.27 117.51 117.58 1vdy h ILE 54 Ca 0.43 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 66.04 1vdy h ILE 54 Cb 0.27 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1vdy h ILE 54 CO -0.18 0.09 -0.18 -0.07 0.00 0.00 0.00 178.15 177.81 1vdy h LEU 55 N 0.40 0.23 -2.36 1.44 3.38 -0.87 -1.66 115.31 115.87 1vdy h LEU 55 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1vdy h LEU 55 Cb -0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1vdy h LEU 55 CO -0.02 0.43 -0.03 0.11 0.09 0.00 0.00 178.44 179.02 1vdy h LYS 56 N 0.22 0.00 -0.06 1.13 1.79 -0.72 -0.58 116.57 118.35 1vdy h LYS 56 Ca 0.04 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.34 1vdy h LYS 56 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1vdy h LYS 56 CO 0.03 0.03 -0.71 0.00 -1.08 0.00 0.00 179.45 177.72 1vdy h ARG 57 N 0.00 0.31 0.00 3.15 2.47 -1.15 -2.96 114.38 116.19 1vdy h ARG 57 Ca -0.00 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1vdy h ARG 57 Cb 0.10 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1vdy h ARG 57 CO 0.00 0.89 0.00 -0.07 0.56 0.00 0.00 179.97 181.36 1vdy h LEU 58 N 0.21 0.00 -0.09 3.04 4.07 -1.13 -1.04 115.31 120.37 1vdy h LEU 58 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1vdy h LEU 58 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1vdy h LEU 58 CO 0.11 0.00 0.00 -0.67 -1.08 0.00 0.00 178.44 176.80 1vdy n ASP 59 N -2.95 0.78 -4.73 -0.43 2.03 -1.12 -4.89 116.55 105.24 1vdy n ASP 59 Ca -0.01 0.59 -0.33 0.00 0.52 0.00 0.00 54.79 55.56 1vdy n ASP 59 Cb 0.19 -0.79 0.10 0.00 -0.72 0.00 0.00 41.12 39.90 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 -4.47 4.16 -0.01 1.67 3.84 -0.40 -4.98 114.94 114.76 1vdy s ASN 60 Ca 0.10 2.16 -0.15 0.00 0.21 0.00 0.00 52.86 55.19 1vdy s ASN 60 Cb 0.12 -2.57 -0.34 0.00 -0.55 0.00 0.00 41.25 37.92 1vdy s ASN 60 CO 0.57 -2.28 0.86 0.50 -2.79 0.00 0.00 177.10 173.96 1vdy h LYS 61 N -0.70 0.47 -6.84 0.43 3.64 -1.90 -3.46 116.57 108.22 1vdy h LYS 61 Ca -0.46 -0.80 -0.53 0.00 -1.27 0.00 0.00 60.65 57.58 1vdy h LYS 61 Cb 1.27 0.30 0.09 0.00 -0.41 0.00 0.00 32.23 33.48 1vdy h LYS 61 CO 0.49 1.38 0.86 0.45 -2.27 0.00 0.00 179.45 180.36 1vdy n SER 62 N -3.71 3.87 0.17 4.20 2.88 -1.26 -4.92 113.62 114.84 1vdy n SER 62 Ca -0.20 1.17 0.02 0.00 -1.33 0.00 0.00 58.87 58.53 1vdy n SER 62 Cb 1.07 -1.61 0.29 0.00 -0.75 0.00 0.00 64.21 63.21 1vdy n SER 62 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1vdy h PRO 63 N 4.27 0.00 0.22 -1.46 0.13 -1.92 -2.91 132.00 130.34 1vdy h PRO 63 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1vdy h PRO 63 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1vdy h PRO 63 CO 0.75 0.47 -0.11 0.82 -0.23 0.00 0.00 178.00 179.69 1vdy h ILE 64 N 0.00 0.00 -0.86 -3.56 2.04 -1.91 -2.21 117.51 111.01 1vdy h ILE 64 Ca -0.00 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.08 1vdy h ILE 64 Cb 0.90 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.85 1vdy h ILE 64 CO 0.06 0.00 0.23 0.58 0.00 0.00 0.00 178.15 179.02 1vdy h VAL 65 N -0.30 0.34 0.20 1.67 2.07 -1.83 -1.05 116.25 117.34 1vdy h VAL 65 Ca -0.03 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1vdy h VAL 65 Cb 0.24 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1vdy h VAL 65 CO 0.04 0.04 -0.34 0.11 0.02 0.00 0.00 177.57 177.45 1vdy h LYS 66 N 0.22 -0.55 -0.51 1.57 1.79 -1.44 -3.13 116.57 114.53 1vdy h LYS 66 Ca 0.53 0.04 0.05 0.00 -2.18 0.00 0.00 60.65 59.09 1vdy h LYS 66 Cb 1.05 0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 31.78 1vdy h LYS 66 CO -0.64 -0.36 0.24 0.37 -1.08 0.00 0.00 179.45 177.98 1vdy h GLN 67 N -0.57 0.45 -0.94 3.15 5.75 -0.57 -2.97 115.11 119.41 1vdy h GLN 67 Ca -0.02 -0.03 0.24 0.00 -0.15 0.00 0.00 58.65 58.69 1vdy h GLN 67 Cb 0.53 -0.10 -0.13 0.00 1.07 0.00 0.00 27.48 28.85 1vdy h GLN 67 CO -0.12 0.30 0.47 0.87 -2.65 0.00 0.00 178.83 177.71 1vdy h LYS 68 N 0.47 0.43 -0.37 1.69 1.57 -1.29 0.11 116.57 119.18 1vdy h LYS 68 Ca 0.23 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1vdy h LYS 68 Cb 0.16 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1vdy h LYS 68 CO -0.18 0.29 -0.17 0.00 -0.57 0.00 0.00 179.45 178.81 1vdy h ALA 69 N 1.73 1.00 0.12 3.86 0.00 -1.54 -3.01 119.26 121.42 1vdy h ALA 69 Ca 0.61 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1vdy h ALA 69 Cb 1.18 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1vdy h ALA 69 CO -0.52 0.59 -0.26 -0.07 0.00 0.00 0.00 179.25 178.99 1vdy h LEU 70 N 0.62 -0.72 -1.05 0.00 -0.00 -0.85 0.14 115.31 113.44 1vdy h LEU 70 Ca 0.10 0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 58.04 1vdy h LEU 70 Cb 0.64 0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 41.54 1vdy h LEU 70 CO 0.05 -0.34 0.33 -0.09 -0.00 0.00 0.00 178.44 178.38 1vdy h ARG 71 N -0.46 1.00 -0.12 1.13 1.12 -1.60 -2.50 114.38 112.94 1vdy h ARG 71 Ca 0.03 -0.14 -0.01 0.00 -1.11 0.00 0.00 59.98 58.75 1vdy h ARG 71 Cb 0.49 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 30.26 1vdy h ARG 71 CO -0.15 0.78 0.04 1.25 -3.11 0.00 0.00 179.97 178.78 1vdy h LEU 72 N 0.99 0.17 -0.20 3.80 5.85 -1.26 0.22 115.31 124.88 1vdy h LEU 72 Ca 0.24 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1vdy h LEU 72 Cb 0.11 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 1vdy h LEU 72 CO -0.03 0.32 -0.29 0.40 -0.34 0.00 0.00 178.44 178.50 1vdy h ILE 73 N 0.01 0.33 -0.20 4.05 2.04 -0.42 0.24 117.51 123.56 1vdy h ILE 73 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1vdy h ILE 73 Cb 0.21 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1vdy h ILE 73 CO -0.00 0.00 0.07 0.07 0.00 0.00 0.00 178.15 178.29 1vdy h LYS 74 N -0.32 0.31 -0.42 2.37 2.10 -1.38 -0.31 116.57 118.91 1vdy h LYS 74 Ca 0.12 -0.06 0.08 0.00 -2.00 0.00 0.00 60.65 58.79 1vdy h LYS 74 Cb 0.51 -0.05 -0.07 0.00 -0.90 0.00 0.00 32.23 31.72 1vdy h LYS 74 CO -0.38 0.39 -0.03 -0.92 -2.00 0.00 0.00 179.45 176.51 1vdy h TYR 75 N 0.16 -0.08 0.68 0.07 5.03 -0.22 -2.13 116.97 120.48 1vdy h TYR 75 Ca 0.07 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.37 1vdy h TYR 75 Cb 0.21 0.10 0.01 0.00 1.55 0.00 0.00 36.73 38.59 1vdy h TYR 75 CO -0.00 -0.11 -0.33 0.00 -1.32 0.00 0.00 178.16 176.40 1vdy h ALA 76 N 1.38 -0.91 -0.92 1.82 0.00 -0.48 -3.21 119.26 116.95 1vdy h ALA 76 Ca 0.20 -0.21 0.26 0.00 0.00 0.00 0.00 54.91 55.16 1vdy h ALA 76 Cb 0.30 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1vdy h ALA 76 CO -0.37 -0.87 0.65 -0.24 0.00 0.00 0.00 179.25 178.42 1vdy h VAL 77 N -1.20 0.56 0.00 0.00 3.04 -0.97 0.16 116.25 117.85 1vdy h VAL 77 Ca -0.09 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1vdy h VAL 77 Cb 0.72 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1vdy h VAL 77 CO 0.15 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 177.34 1vdy n GLY 78 N -1.67 -0.77 0.00 3.17 0.00 -0.81 -4.16 105.19 100.95 1vdy n GLY 78 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.91 1.96 -0.09 1.61 2.85 0.32 -4.99 118.16 118.92 1vdy n LYS 79 Ca 0.15 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.33 1vdy n LYS 79 Cb 0.07 -0.16 -0.01 0.00 -0.65 0.00 0.00 35.03 34.28 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 0.26 0.00 -5.58 0.02 -1.03 -3.50 113.55 103.72 1vdy h SER 80 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1vdy h SER 80 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1vdy h SER 80 CO 0.00 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.49 1vdy n GLY 81 N -1.19 0.13 0.00 -3.77 0.00 -1.26 -4.64 105.19 94.45 1vdy n GLY 81 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1vdy n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vdy n SER 82 N 0.00 3.07 -0.06 1.61 7.64 -1.26 -4.62 113.62 120.00 1vdy n SER 82 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1vdy n SER 82 Cb 0.00 0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 1vdy n SER 82 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1vdy h GLU 83 N 0.00 0.30 0.00 1.43 4.39 -2.00 -0.15 114.58 118.56 1vdy h GLU 83 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1vdy h GLU 83 Cb 0.63 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1vdy h GLU 83 CO 0.00 0.25 0.00 0.35 -1.16 0.00 0.00 179.01 178.45 1vdy h PHE 84 N 0.27 0.00 0.03 4.33 3.57 -1.91 -0.56 116.94 122.67 1vdy h PHE 84 Ca 0.08 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1vdy h PHE 84 Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1vdy h PHE 84 CO -0.05 0.00 -0.01 -0.09 -2.23 0.00 0.00 178.31 175.93 1vdy h ARG 85 N 0.00 -0.04 0.22 1.11 1.12 -1.32 -3.06 114.38 112.42 1vdy h ARG 85 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1vdy h ARG 85 Cb 0.20 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.17 1vdy h ARG 85 CO 0.00 0.67 -0.11 0.00 -3.11 0.00 0.00 179.97 177.43 1vdy h ARG 86 N -0.87 -0.29 -0.99 0.20 2.47 -0.69 -2.77 114.38 111.43 1vdy h ARG 86 Ca -0.00 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1vdy h ARG 86 Cb 0.73 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 29.06 1vdy h ARG 86 CO 0.01 -0.10 0.65 0.93 0.56 0.00 0.00 179.97 182.02 1vdy h GLU 87 N -0.43 1.26 -0.52 0.04 3.07 -1.30 -1.75 114.58 114.96 1vdy h GLU 87 Ca -0.03 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 58.70 1vdy h GLU 87 Cb 0.33 -0.29 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1vdy h GLU 87 CO 0.05 0.84 0.12 1.98 -1.40 0.00 0.00 179.01 180.60 1vdy h MET 88 N 1.30 0.79 -0.20 2.33 4.05 -1.44 -2.49 114.93 119.26 1vdy h MET 88 Ca 0.38 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 1vdy h MET 88 Cb -0.08 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.59 1vdy h MET 88 CO -0.10 0.71 0.10 1.96 0.23 0.00 0.00 176.91 179.81 1vdy h GLN 89 N 0.76 0.29 -0.14 0.39 4.20 -1.04 -0.37 115.11 119.20 1vdy h GLN 89 Ca 0.17 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.88 1vdy h GLN 89 Cb 0.29 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1vdy h GLN 89 CO -0.00 0.31 0.27 0.00 -0.67 0.00 0.00 178.83 178.75 1vdy h ARG 90 N 0.20 0.00 0.00 1.46 3.08 -1.10 -1.95 114.38 116.08 1vdy h ARG 90 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1vdy h ARG 90 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1vdy h ARG 90 CO -0.01 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.98 1vdy n ASN 91 N -3.38 1.56 0.00 7.04 3.02 -1.11 -4.79 115.26 117.60 1vdy n ASN 91 Ca 0.01 -1.76 0.03 0.00 -0.03 0.00 0.00 54.58 52.83 1vdy n ASN 91 Cb 0.37 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.72 1vdy n ASN 91 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1vdy n SER 92 N -0.38 0.00 -0.06 6.41 2.88 -0.17 -3.01 113.62 119.29 1vdy n SER 92 Ca 0.00 0.12 0.10 0.00 -1.33 0.00 0.00 58.87 57.76 1vdy n SER 92 Cb 0.29 -0.24 0.47 0.00 -0.75 0.00 0.00 64.21 63.99 1vdy n SER 92 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1vdy h VAL 93 N 0.00 0.96 -0.98 2.46 3.04 -1.87 -1.38 116.25 118.49 1vdy h VAL 93 Ca 0.00 -0.16 0.05 0.00 -1.01 0.00 0.00 66.70 65.58 1vdy h VAL 93 Cb 0.05 0.45 -0.06 0.00 -2.01 0.00 0.00 31.29 29.72 1vdy h VAL 93 CO 0.00 0.08 0.64 0.00 -1.01 0.00 0.00 177.57 177.28 1vdy h ALA 94 N 1.71 1.40 -0.18 3.17 0.00 -1.95 0.44 119.26 123.84 1vdy h ALA 94 Ca 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1vdy h ALA 94 Cb 0.37 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1vdy h ALA 94 CO -0.07 0.49 -0.07 0.28 0.00 0.00 0.00 179.25 179.88 1vdy h VAL 95 N 1.19 1.30 -0.27 0.00 2.07 -1.52 -3.13 116.25 115.90 1vdy h VAL 95 Ca 0.40 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1vdy h VAL 95 Cb 0.08 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1vdy h VAL 95 CO -0.14 0.33 -0.08 0.03 0.02 0.00 0.00 177.57 177.73 1vdy h ARG 96 N 0.05 0.42 0.00 1.57 3.08 -1.12 -2.11 114.38 116.28 1vdy h ARG 96 Ca 0.04 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1vdy h ARG 96 Cb 0.54 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1vdy h ARG 96 CO 0.02 0.51 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.52 1vdy h ASN 97 N 0.40 0.00 1.19 7.04 2.35 -0.89 -2.01 115.58 123.66 1vdy h ASN 97 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1vdy h ASN 97 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1vdy h ASN 97 CO 0.02 0.01 -0.26 0.18 -1.65 0.00 0.00 177.43 175.72 1vdy n LEU 98 N -3.12 0.73 -0.18 1.61 4.77 -0.79 -3.83 117.00 116.19 1vdy n LEU 98 Ca -0.02 0.42 0.19 0.00 -0.03 0.00 0.00 56.01 56.58 1vdy n LEU 98 Cb 0.16 -0.27 0.56 0.00 -2.33 0.00 0.00 43.42 41.54 1vdy n LEU 98 CO 0.23 -0.12 1.22 -0.26 -1.33 0.00 0.00 177.39 177.13 1vdy h PHE 99 N 0.00 0.39 -0.23 -1.77 0.04 -1.46 -0.78 116.94 113.14 1vdy h PHE 99 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1vdy h PHE 99 Cb 0.73 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1vdy h PHE 99 CO 0.00 0.12 0.00 -2.39 -0.60 0.00 0.00 178.31 175.44 1vdy n HIS 100 N -4.45 0.46 -1.85 -0.55 1.44 -1.25 -5.03 115.22 103.98 1vdy n HIS 100 Ca 0.17 -0.64 -0.42 0.00 -2.01 0.00 0.00 57.72 54.81 1vdy n HIS 100 Cb 0.67 -0.12 -0.03 0.00 0.12 0.00 0.00 29.99 30.63 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 -1.64 2.93 -0.03 -1.40 5.04 -0.30 -4.89 117.35 117.07 1vdy s TYR 101 Ca 0.24 0.48 0.11 0.00 -2.44 0.00 0.00 57.07 55.47 1vdy s TYR 101 Cb 0.17 -4.01 -0.17 0.00 0.35 0.00 0.00 41.96 38.30 1vdy s TYR 101 CO 0.10 -3.82 0.22 0.36 -1.34 0.00 0.00 175.55 171.07 1vdy n LYS 102 N 4.14 0.60 0.00 4.97 2.85 -1.26 -4.96 118.16 124.50 1vdy n LYS 102 Ca 0.15 -0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1vdy n LYS 102 Cb 0.37 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.49 1vdy n LYS 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vdy n GLY 103 N 1.94 3.06 3.20 2.58 0.00 -1.26 -4.74 105.19 109.97 1vdy n GLY 103 Ca -0.04 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.30 0.95 1.61 0.09 -1.26 -5.18 115.29 111.80 1vdy s HIS 104 Ca 0.00 -0.73 -0.14 0.00 -0.00 0.00 0.00 55.06 54.18 1vdy s HIS 104 Cb 0.00 -0.14 0.17 0.00 -0.00 0.00 0.00 32.58 32.61 1vdy s HIS 104 CO 0.00 -0.54 1.19 -1.25 -0.00 0.00 0.00 174.74 174.14 1vdy s PRO 105 N -3.90 0.77 0.09 8.40 0.04 -1.26 -4.78 135.00 134.36 1vdy s PRO 105 Ca 0.08 0.01 0.08 0.00 0.04 0.00 0.00 61.00 61.22 1vdy s PRO 105 Cb 0.05 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1vdy s PRO 105 CO -0.08 -2.40 -0.21 -0.51 0.04 0.00 0.00 177.00 173.84 1vdy s ASP 106 N -4.33 2.60 0.19 6.66 1.01 -0.53 -4.95 116.67 117.32 1vdy s ASP 106 Ca 0.67 -0.66 -0.08 0.00 0.71 0.00 0.00 52.55 53.20 1vdy s ASP 106 Cb -0.10 -0.16 0.10 0.00 1.01 0.00 0.00 42.92 43.77 1vdy s ASP 106 CO 0.53 0.09 1.63 1.55 0.21 0.00 0.00 175.17 179.18 1vdy h PRO 107 N 4.24 0.98 0.00 8.23 0.13 -1.99 -0.09 132.00 143.50 1vdy h PRO 107 Ca -0.46 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1vdy h PRO 107 Cb 1.17 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1vdy h PRO 107 CO 0.40 1.02 0.00 1.47 -0.23 0.00 0.00 178.00 180.66 1vdy n LEU 108 N -4.15 0.77 0.02 1.56 -0.00 -1.26 -4.50 117.00 109.44 1vdy n LEU 108 Ca 0.02 0.49 0.12 0.00 -0.00 0.00 0.00 56.01 56.63 1vdy n LEU 108 Cb 0.39 -0.20 0.16 0.00 -0.00 0.00 0.00 43.42 43.77 1vdy n LEU 108 CO 0.45 -0.20 0.31 0.29 -0.00 0.00 0.00 177.39 178.23 1vdy n LYS 109 N -1.10 0.15 0.00 1.47 4.76 -1.26 -5.01 118.16 117.17 1vdy n LYS 109 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1vdy n LYS 109 Cb 0.00 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 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 1.42 1.58 1.32 0.72 0.00 -0.05 -3.62 105.19 106.56 1vdy n GLY 110 Ca 0.04 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.32 1vdy n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vdy n ASP 111 N 4.76 4.23 -0.10 1.61 5.75 -1.26 -1.45 116.55 130.09 1vdy n ASP 111 Ca 0.00 -3.14 -0.15 0.00 -0.01 0.00 0.00 54.79 51.49 1vdy n ASP 111 Cb 0.00 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 39.42 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vdy n ALA 112 N -0.33 0.94 -0.15 2.12 0.00 -1.24 -4.03 120.51 117.83 1vdy n ALA 112 Ca 0.28 -0.87 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 1vdy n ALA 112 Cb 1.07 0.04 0.05 0.00 0.00 0.00 0.00 19.45 20.61 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 -1.00 0.28 -2.36 0.00 -0.00 -1.90 0.07 115.31 110.40 1vdy h LEU 113 Ca -0.23 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.69 1vdy h LEU 113 Cb 1.16 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1vdy h LEU 113 CO -0.14 0.20 -0.04 -0.55 -0.00 0.00 0.00 178.44 177.91 1vdy h ASN 114 N 0.42 0.00 0.19 -0.43 7.08 -1.86 -2.84 115.58 118.13 1vdy h ASN 114 Ca 0.22 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.43 1vdy h ASN 114 Cb 0.16 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.41 1vdy h ASN 114 CO -0.18 0.04 -0.09 0.50 -2.08 0.00 0.00 177.43 175.62 1vdy h LYS 115 N 0.00 -0.24 -0.82 4.14 1.63 -1.17 -3.36 116.57 116.75 1vdy h LYS 115 Ca -0.00 0.02 0.23 0.00 -0.85 0.00 0.00 60.65 60.04 1vdy h LYS 115 Cb 0.17 0.05 -0.15 0.00 -0.60 0.00 0.00 32.23 31.70 1vdy h LYS 115 CO 0.00 -0.16 0.02 0.00 -3.45 0.00 0.00 179.45 175.87 1vdy n ALA 116 N -2.67 0.43 -0.18 5.00 0.00 -0.52 -0.64 120.51 121.94 1vdy n ALA 116 Ca -0.03 0.88 -0.09 0.00 0.00 0.00 0.00 53.44 54.20 1vdy n ALA 116 Cb 0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 1vdy n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vdy h VAL 117 N 0.00 0.09 0.00 0.00 2.07 -1.65 -1.80 116.25 114.96 1vdy h VAL 117 Ca 0.50 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.97 1vdy h VAL 117 Cb 1.04 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1vdy h VAL 117 CO -0.77 0.00 -0.98 0.08 0.02 0.00 0.00 177.57 175.92 1vdy h ARG 118 N -0.26 0.00 0.40 1.57 -0.00 -1.04 -2.85 114.38 112.20 1vdy h ARG 118 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.12 1vdy h ARG 118 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.54 1vdy h ARG 118 CO -0.65 0.11 -0.19 0.93 -0.00 0.00 0.00 179.97 180.16 1vdy h GLU 119 N 0.00 -0.52 -0.51 0.08 5.08 -0.92 -2.82 114.58 114.97 1vdy h GLU 119 Ca -0.04 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1vdy h GLU 119 Cb 1.18 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1vdy h GLU 119 CO 0.02 -0.30 -0.01 1.15 -1.00 0.00 0.00 179.01 178.86 1vdy h THR 120 N -0.62 1.25 -1.06 1.13 2.02 -1.49 -2.94 112.91 111.21 1vdy h THR 120 Ca -0.06 -1.07 0.28 0.00 0.77 0.00 0.00 66.41 66.33 1vdy h THR 120 Cb 0.46 0.88 -0.09 0.00 -1.74 0.00 0.00 68.15 67.66 1vdy h THR 120 CO 0.09 0.38 0.68 0.00 0.37 0.00 0.00 175.52 177.04 1vdy h ALA 121 N 1.18 2.29 0.57 6.16 0.00 -1.25 0.27 119.26 128.48 1vdy h ALA 121 Ca 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1vdy h ALA 121 Cb 0.50 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1vdy h ALA 121 CO 0.02 -0.70 -0.27 0.45 0.00 0.00 0.00 179.25 178.75 1vdy h HIS 122 N 0.36 -0.71 -0.70 0.00 3.86 -1.40 -2.31 115.15 114.25 1vdy h HIS 122 Ca 0.60 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.85 1vdy h HIS 122 Cb 1.58 0.23 -0.06 0.00 1.06 0.00 0.00 27.41 30.23 1vdy h HIS 122 CO -0.00 -0.40 0.40 0.93 0.86 0.00 0.00 177.93 179.72 1vdy h GLU 123 N -0.88 0.72 -0.54 2.45 5.08 -1.27 -1.75 114.58 118.40 1vdy h GLU 123 Ca -0.08 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1vdy h GLU 123 Cb 0.63 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1vdy h GLU 123 CO 0.13 0.48 0.26 1.15 -1.00 0.00 0.00 179.01 180.03 1vdy h THR 124 N 0.74 0.92 -0.01 1.13 2.02 -0.97 0.59 112.91 117.34 1vdy h THR 124 Ca 0.31 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1vdy h THR 124 Cb 0.17 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1vdy h THR 124 CO -0.18 0.09 0.00 0.40 0.37 0.00 0.00 175.52 176.21 1vdy h ILE 125 N 0.50 1.11 0.00 3.11 1.08 -0.75 -1.09 117.51 121.45 1vdy h ILE 125 Ca 0.25 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1vdy h ILE 125 Cb 0.18 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1vdy h ILE 125 CO -0.19 0.08 0.00 0.28 -0.69 0.00 0.00 178.15 177.63 1vdy h SER 126 N -0.12 0.00 0.05 1.72 0.02 -0.67 0.26 113.55 114.82 1vdy h SER 126 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1vdy h SER 126 Cb 0.13 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1vdy h SER 126 CO -0.00 0.00 -1.53 0.00 -1.14 0.00 0.00 176.83 174.16 1vdy h ALA 127 N 2.01 0.32 -0.48 3.77 0.00 -0.34 -3.08 119.26 121.46 1vdy h ALA 127 Ca 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 54.91 53.53 1vdy h ALA 127 Cb 0.02 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1vdy h ALA 127 CO 0.00 0.92 -0.16 0.82 0.00 0.00 0.00 179.25 180.84 1vdy h ILE 128 N -0.57 1.27 -0.52 0.00 2.04 -0.64 -3.12 117.51 115.97 1vdy h ILE 128 Ca -0.37 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1vdy h ILE 128 Cb 1.59 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1vdy h ILE 128 CO -0.09 0.45 0.00 0.49 0.00 0.00 0.00 178.15 179.01 1vdy n PHE 129 N -4.18 0.83 -1.96 1.37 3.72 0.03 -4.89 117.46 112.39 1vdy n PHE 129 Ca 0.00 -0.38 -0.42 0.00 -0.05 0.00 0.00 57.45 56.60 1vdy n PHE 129 Cb 0.42 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vdy s SER 130 N -0.94 6.62 -0.30 4.37 0.15 -1.16 -4.99 113.70 117.45 1vdy s SER 130 Ca 0.36 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.51 1vdy s SER 130 Cb 0.20 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 62.03 1vdy s SER 130 CO 0.23 -0.85 0.07 -1.61 1.20 0.00 0.00 173.24 172.28 1vdy s GLU 131 N 2.12 0.94 0.25 5.44 2.02 -1.26 -5.05 118.70 123.16 1vdy s GLU 131 Ca 0.72 -1.19 0.04 0.00 0.02 0.00 0.00 54.97 54.56 1vdy s GLU 131 Cb -0.40 -2.29 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 1vdy s GLU 131 CO 0.32 -0.92 -0.02 -2.00 0.02 0.00 0.00 175.26 172.65 1vdy s GLU 132 N 1.47 1.41 -0.34 1.61 2.12 -1.26 -3.74 118.70 119.97 1vdy s GLU 132 Ca 0.08 -1.72 0.00 0.00 0.36 0.00 0.00 54.97 53.69 1vdy s GLU 132 Cb -0.18 -0.79 0.00 0.00 0.26 0.00 0.00 34.13 33.43 1vdy s GLU 132 CO -0.19 -0.06 0.00 0.09 -0.54 0.00 0.00 175.26 174.56 1vdy n ASN 133 N -0.48 -1.86 0.00 -1.70 3.02 -1.26 -4.53 115.26 108.46 1vdy n ASN 133 Ca -0.05 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1vdy n ASN 133 Cb 0.64 -1.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 1vdy n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vdy n GLY 134 N -0.56 0.24 0.26 7.41 0.00 -1.26 -5.03 105.19 106.25 1vdy n GLY 134 Ca -0.05 0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1vdy n GLY 134 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vdy h SER 135 N 0.00 -0.53 -3.31 1.61 0.02 -1.87 -3.49 113.55 105.98 1vdy h SER 135 Ca 0.00 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.07 1vdy h SER 135 Cb 0.00 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1vdy h SER 135 CO 0.00 -0.27 -0.13 0.61 -1.14 0.00 0.00 176.83 175.90 1vdy n GLY 136 N -0.38 -1.91 3.76 -3.77 0.00 -1.25 -4.88 105.19 96.77 1vdy n GLY 136 Ca -0.08 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.90 3.00 -0.22 1.61 0.04 -1.26 -5.03 135.00 132.24 1vdy s PRO 137 Ca 0.00 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.67 1vdy s PRO 137 Cb 0.00 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1vdy s PRO 137 CO 0.00 -1.14 -0.10 -1.54 0.04 0.00 0.00 177.00 174.27 1vdy s SER 138 N -1.98 3.80 -1.25 6.66 1.04 -1.26 -4.86 113.70 115.84 1vdy s SER 138 Ca 0.72 -1.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1vdy s SER 138 Cb -0.25 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.55 1vdy s SER 138 CO 0.34 -0.17 0.02 -0.24 0.98 0.00 0.00 173.24 174.17 1vdy n SER 139 N 4.61 0.63 0.00 7.02 2.88 -1.26 -5.34 113.62 122.16 1vdy n SER 139 Ca -0.14 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1vdy n SER 139 Cb 0.45 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1vdy n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42