#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 0.50 0.27 1.61 0.01 -1.26 -5.15 113.70 109.68 1vdy s SER 2 Ca 0.00 -0.07 -0.21 0.00 1.31 0.00 0.00 55.95 56.97 1vdy s SER 2 Cb 0.00 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.17 1vdy s SER 2 CO 0.00 0.04 0.72 -0.44 0.41 0.00 0.00 173.24 173.97 1vdy s SER 3 N 0.02 -0.27 -0.28 2.44 0.01 -1.26 -5.17 113.70 109.19 1vdy s SER 3 Ca 0.00 -0.59 -0.29 0.00 1.31 0.00 0.00 55.95 56.39 1vdy s SER 3 Cb -0.03 0.72 0.19 0.00 0.21 0.00 0.00 66.02 67.11 1vdy s SER 3 CO -0.00 -1.33 1.35 -0.83 0.41 0.00 0.00 173.24 172.84 1vdy s GLY 4 N -2.92 0.11 0.77 3.44 0.00 -1.26 -5.17 107.32 102.30 1vdy s GLY 4 Ca 0.11 2.90 -0.13 0.00 0.00 0.00 0.00 44.72 47.60 1vdy s GLY 4 CO 0.06 1.24 1.15 -1.35 0.00 0.00 0.00 173.10 174.20 1vdy s SER 5 N -0.85 4.10 0.68 1.64 1.04 -1.26 -4.98 113.70 114.07 1vdy s SER 5 Ca 0.08 2.12 -0.15 0.00 0.48 0.00 0.00 55.95 58.48 1vdy s SER 5 Cb -0.02 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.55 1vdy s SER 5 CO -0.09 -2.31 1.12 -0.55 0.98 0.00 0.00 173.24 172.40 1vdy s SER 6 N -2.62 4.91 0.00 7.02 0.15 -1.26 -3.86 113.70 118.04 1vdy s SER 6 Ca 0.68 2.05 0.00 0.00 0.70 0.00 0.00 55.95 59.38 1vdy s SER 6 Cb -0.23 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1vdy s SER 6 CO 0.50 -1.76 0.00 0.61 1.20 0.00 0.00 173.24 173.79 1vdy n GLY 7 N -0.41 1.09 0.00 9.45 0.00 -1.26 -4.96 105.19 109.11 1vdy n GLY 7 Ca 0.11 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1vdy n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vdy n GLU 8 N -1.91 0.69 0.07 1.61 4.07 -1.25 -3.83 120.64 120.08 1vdy n GLU 8 Ca 0.00 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.29 1vdy n GLU 8 Cb 0.01 -1.35 0.73 0.00 -0.06 0.00 0.00 31.44 30.77 1vdy n GLU 8 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1vdy h SER 9 N 0.00 0.00 0.12 4.31 0.02 -1.93 -1.78 113.55 114.29 1vdy h SER 9 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1vdy h SER 9 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1vdy h SER 9 CO 0.00 0.00 -0.87 0.22 -1.14 0.00 0.00 176.83 175.04 1vdy h TYR 10 N 0.00 0.81 0.21 3.45 5.03 -1.99 -2.79 116.97 121.69 1vdy h TYR 10 Ca 0.20 -0.40 -0.01 0.00 2.58 0.00 0.00 58.73 61.11 1vdy h TYR 10 Cb 0.89 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.05 1vdy h TYR 10 CO 0.00 1.21 -0.24 2.35 -1.32 0.00 0.00 178.16 180.16 1vdy h TRP 11 N 0.36 -0.68 -0.78 -3.82 -0.00 -1.63 0.31 115.95 109.71 1vdy h TRP 11 Ca -0.07 0.01 0.05 0.00 -0.00 0.00 0.00 58.89 58.88 1vdy h TRP 11 Cb 1.49 0.27 -0.05 0.00 -0.00 0.00 0.00 29.16 30.87 1vdy h TRP 11 CO 0.07 -0.32 0.48 0.00 -0.00 0.00 0.00 178.44 178.67 1vdy h ARG 12 N -0.46 0.86 -0.52 2.65 3.08 -1.70 -2.50 114.38 115.79 1vdy h ARG 12 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1vdy h ARG 12 Cb 0.41 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1vdy h ARG 12 CO -0.05 0.57 0.33 1.03 -1.07 0.00 0.00 179.97 180.79 1vdy h SER 13 N 0.89 0.60 -0.96 7.04 0.87 -1.19 -2.92 113.55 117.88 1vdy h SER 13 Ca 0.33 -0.03 0.18 0.00 -1.23 0.00 0.00 61.79 61.04 1vdy h SER 13 Cb 0.12 -0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 61.84 1vdy h SER 13 CO -0.15 0.45 0.61 0.03 -0.53 0.00 0.00 176.83 177.24 1vdy h ARG 14 N 0.70 0.65 -0.28 2.24 2.47 0.09 0.33 114.38 120.58 1vdy h ARG 14 Ca 0.19 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1vdy h ARG 14 Cb -0.06 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.11 1vdy h ARG 14 CO -0.04 0.43 0.05 0.52 0.56 0.00 0.00 179.97 181.50 1vdy h MET 15 N 0.67 0.47 -0.05 0.04 2.86 -1.53 -1.77 114.93 115.62 1vdy h MET 15 Ca 0.52 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 58.02 1vdy h MET 15 Cb 0.91 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 1vdy h MET 15 CO -0.28 0.57 -0.04 0.82 1.06 0.00 0.00 176.91 179.04 1vdy h ILE 16 N 0.29 1.36 -0.55 -1.22 1.08 -1.29 -3.29 117.51 113.89 1vdy h ILE 16 Ca 0.09 -1.15 0.11 0.00 -0.39 0.00 0.00 64.86 63.52 1vdy h ILE 16 Cb 0.32 2.01 -0.10 0.00 -3.07 0.00 0.00 36.82 35.98 1vdy h ILE 16 CO 0.00 0.31 -0.12 -0.78 -0.69 0.00 0.00 178.15 176.88 1vdy h ASP 17 N -0.30 -0.48 0.53 1.72 1.82 -0.37 -0.91 116.42 118.43 1vdy h ASP 17 Ca 0.01 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1vdy h ASP 17 Cb 0.53 0.33 0.00 0.00 0.68 0.00 0.00 39.33 40.86 1vdy h ASP 17 CO 0.01 -0.17 0.00 0.00 -1.61 0.00 0.00 179.24 177.47 1vdy h ALA 18 N 1.54 1.00 -0.01 -0.78 0.00 -1.38 0.32 119.26 119.94 1vdy h ALA 18 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1vdy h ALA 18 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1vdy h ALA 18 CO -0.55 0.00 -0.08 1.33 0.00 0.00 0.00 179.25 179.95 1vdy n VAL 19 N -2.48 0.00 -0.37 0.00 0.24 -0.46 -4.49 118.33 110.76 1vdy n VAL 19 Ca 0.00 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1vdy n VAL 19 Cb 0.18 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 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 0.50 0.55 -1.70 3.34 -2.24 -0.50 -4.58 114.28 109.65 1vdy n THR 20 Ca 0.07 -0.59 -0.38 0.00 -2.27 0.00 0.00 64.05 60.88 1vdy n THR 20 Cb 0.32 0.78 0.05 0.00 -2.10 0.00 0.00 70.33 69.38 1vdy n THR 20 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1vdy n SER 21 N -0.27 1.94 0.00 3.42 3.41 0.10 -4.57 113.62 117.65 1vdy n SER 21 Ca 0.00 0.91 0.01 0.00 -0.26 0.00 0.00 58.87 59.53 1vdy n SER 21 Cb 0.31 -1.51 0.05 0.00 -0.26 0.00 0.00 64.21 62.80 1vdy n SER 21 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vdy n ASP 22 N -1.00 0.00 -4.74 4.04 9.92 -1.26 -4.70 116.55 118.80 1vdy n ASP 22 Ca 0.12 0.47 -0.40 0.00 -0.53 0.00 0.00 54.79 54.45 1vdy n ASP 22 Cb 0.46 -0.47 0.02 0.00 -0.64 0.00 0.00 41.12 40.48 1vdy n ASP 22 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1vdy n GLU 23 N -1.47 2.07 0.17 -1.24 0.28 -1.26 -4.89 120.64 114.30 1vdy n GLU 23 Ca 0.01 0.74 0.13 0.00 -0.16 0.00 0.00 57.16 57.88 1vdy n GLU 23 Cb 0.02 -2.55 0.60 0.00 1.43 0.00 0.00 31.44 30.95 1vdy n GLU 23 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 1vdy h ASP 24 N 2.09 0.00 -2.62 -1.84 2.03 -2.03 -3.43 116.42 110.62 1vdy h ASP 24 Ca -0.50 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.26 1vdy h ASP 24 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1vdy h ASP 24 CO 0.60 0.00 1.06 -0.75 -1.03 0.00 0.00 179.24 179.12 1vdy s LYS 25 N -3.50 4.19 0.58 4.15 2.20 -1.26 -4.99 119.74 121.11 1vdy s LYS 25 Ca 0.01 2.24 -0.19 0.00 -0.36 0.00 0.00 55.97 57.67 1vdy s LYS 25 Cb 0.09 -3.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 1vdy s LYS 25 CO 0.35 -0.81 1.20 0.54 -0.36 0.00 0.00 175.35 176.26 1vdy s VAL 26 N 3.68 2.73 0.07 4.02 0.11 -1.26 -4.92 120.40 124.81 1vdy s VAL 26 Ca 0.74 0.46 -0.30 0.00 -2.93 0.00 0.00 61.98 59.94 1vdy s VAL 26 Cb -0.35 -3.19 -0.09 0.00 -1.53 0.00 0.00 36.38 31.22 1vdy s VAL 26 CO 0.31 -0.09 1.85 0.00 -3.33 0.00 0.00 175.10 173.83 1vdy s ALA 27 N -1.61 3.67 0.49 1.54 0.00 -1.26 -4.97 121.76 119.61 1vdy s ALA 27 Ca 0.76 1.32 -0.21 0.00 0.00 0.00 0.00 51.96 53.83 1vdy s ALA 27 Cb -0.29 -3.79 -0.08 0.00 0.00 0.00 0.00 23.12 18.96 1vdy s ALA 27 CO 0.32 -1.37 1.08 -1.25 0.00 0.00 0.00 175.76 174.54 1vdy s PRO 28 N 3.54 3.72 0.13 0.00 0.04 -1.26 -4.98 135.00 136.19 1vdy s PRO 28 Ca 0.82 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 63.16 1vdy s PRO 28 Cb -0.43 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 1vdy s PRO 28 CO 0.37 -0.52 1.75 0.28 0.04 0.00 0.00 177.00 178.92 1vdy h VAL 29 N 1.57 0.94 -0.16 -0.36 2.07 -2.00 -2.40 116.25 115.91 1vdy h VAL 29 Ca -0.49 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.01 1vdy h VAL 29 Cb 1.23 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1vdy h VAL 29 CO 0.59 0.03 0.13 0.10 0.02 0.00 0.00 177.57 178.44 1vdy h TYR 30 N 0.17 0.00 -0.23 1.57 -0.00 -2.00 -0.41 116.97 116.08 1vdy h TYR 30 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.62 1vdy h TYR 30 Cb 0.07 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.81 1vdy h TYR 30 CO -0.13 0.00 -0.66 0.87 -0.00 0.00 0.00 178.16 178.24 1vdy h LYS 31 N 0.00 0.85 -0.37 0.10 1.57 -1.82 -3.14 116.57 113.75 1vdy h LYS 31 Ca 0.08 -0.61 -0.05 0.00 -1.87 0.00 0.00 60.65 58.20 1vdy h LYS 31 Cb 0.33 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1vdy h LYS 31 CO -0.00 1.23 0.02 -0.07 -0.57 0.00 0.00 179.45 180.06 1vdy h LEU 32 N 0.62 0.53 -0.31 2.94 3.38 -1.01 -2.87 115.31 118.58 1vdy h LEU 32 Ca -0.02 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1vdy h LEU 32 Cb 1.28 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1vdy h LEU 32 CO 0.14 0.59 0.01 -0.33 0.09 0.00 0.00 178.44 178.94 1vdy h GLU 33 N 0.55 0.10 -0.60 1.13 4.39 -1.23 -3.01 114.58 115.91 1vdy h GLU 33 Ca 0.12 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1vdy h GLU 33 Cb 0.32 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1vdy h GLU 33 CO 0.01 0.07 0.26 0.93 -1.16 0.00 0.00 179.01 179.12 1vdy h GLU 34 N 0.11 0.88 0.45 2.33 5.08 -1.48 -2.27 114.58 119.66 1vdy h GLU 34 Ca 0.15 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1vdy h GLU 34 Cb 0.20 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1vdy h GLU 34 CO -0.24 0.73 -0.36 0.82 -1.00 0.00 0.00 179.01 178.96 1vdy h ILE 35 N 0.82 0.26 -0.72 3.13 2.04 -1.47 -0.78 117.51 120.80 1vdy h ILE 35 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 1vdy h ILE 35 Cb 0.17 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1vdy h ILE 35 CO -0.02 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.53 1vdy h ASP 37 N 1.00 0.27 -0.35 0.00 3.32 -1.10 -0.89 116.42 118.67 1vdy h ASP 37 Ca 0.26 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 1vdy h ASP 37 Cb 0.02 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1vdy h ASP 37 CO -0.04 0.19 0.07 -0.07 -1.72 0.00 0.00 179.24 177.67 1vdy h LEU 38 N 0.33 0.55 -1.30 1.55 3.38 -0.76 -2.92 115.31 116.14 1vdy h LEU 38 Ca 0.10 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1vdy h LEU 38 Cb -0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1vdy h LEU 38 CO -0.04 0.66 0.52 -0.07 0.09 0.00 0.00 178.44 179.60 1vdy h LEU 39 N 0.42 0.74 0.00 1.67 3.38 -0.48 0.61 115.31 121.66 1vdy h LEU 39 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1vdy h LEU 39 Cb 0.34 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1vdy h LEU 39 CO 0.00 0.47 -0.16 -2.11 0.09 0.00 0.00 178.44 176.74 1vdy n ARG 40 N -4.48 0.00 0.00 1.13 1.85 -0.37 -3.37 116.66 111.42 1vdy n ARG 40 Ca 0.12 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.08 1vdy n ARG 40 Cb 0.23 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.01 1vdy n ARG 40 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1vdy n SER 41 N -1.51 0.46 -1.95 2.89 2.88 -0.39 -5.01 113.62 111.00 1vdy n SER 41 Ca 0.06 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1vdy n SER 41 Cb 0.34 1.44 0.00 0.00 -0.75 0.00 0.00 64.21 65.24 1vdy n SER 41 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1vdy n SER 42 N -1.95 0.00 -4.88 -3.46 7.64 0.07 -5.08 113.62 105.96 1vdy n SER 42 Ca -0.00 -0.94 -0.21 0.00 1.01 0.00 0.00 58.87 58.73 1vdy n SER 42 Cb 0.46 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 1vdy n SER 42 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1vdy s HIS 43 N 0.22 3.16 0.29 1.43 2.46 -1.26 -5.03 115.29 116.56 1vdy s HIS 43 Ca 0.00 -0.13 0.03 0.00 0.47 0.00 0.00 55.06 55.43 1vdy s HIS 43 Cb 0.00 -1.55 0.62 0.00 -0.13 0.00 0.00 32.58 31.52 1vdy s HIS 43 CO 0.00 0.40 1.82 -0.24 -2.47 0.00 0.00 174.74 174.26 1vdy h VAL 44 N 1.32 0.85 -0.66 0.89 3.04 -2.00 -0.54 116.25 119.17 1vdy h VAL 44 Ca -0.49 -0.31 0.07 0.00 -1.01 0.00 0.00 66.70 64.96 1vdy h VAL 44 Cb 1.24 -0.14 -0.04 0.00 -2.01 0.00 0.00 31.29 30.34 1vdy h VAL 44 CO 0.60 0.17 0.43 -1.28 -1.01 0.00 0.00 177.57 176.48 1vdy h SER 45 N 0.92 0.54 -0.48 3.17 0.87 -1.99 -0.54 113.55 116.04 1vdy h SER 45 Ca 0.52 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 61.00 1vdy h SER 45 Cb 0.62 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1vdy h SER 45 CO -0.30 0.34 -0.02 0.40 -0.53 0.00 0.00 176.83 176.73 1vdy h ILE 46 N 0.61 1.26 -0.69 2.23 1.08 -1.50 0.84 117.51 121.34 1vdy h ILE 46 Ca 0.29 -1.10 0.01 0.00 -0.39 0.00 0.00 64.86 63.67 1vdy h ILE 46 Cb 0.34 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 1vdy h ILE 46 CO -0.09 0.38 0.46 0.58 -0.69 0.00 0.00 178.15 178.79 1vdy h VAL 47 N 0.71 1.16 0.24 1.67 2.07 -1.05 0.34 116.25 121.39 1vdy h VAL 47 Ca 0.13 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1vdy h VAL 47 Cb 0.54 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1vdy h VAL 47 CO 0.03 0.17 -0.11 0.11 0.02 0.00 0.00 177.57 177.78 1vdy h LYS 48 N 0.92 -0.31 -0.53 1.57 1.57 -0.91 -1.21 116.57 117.68 1vdy h LYS 48 Ca 0.26 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.13 1vdy h LYS 48 Cb -0.08 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 1vdy h LYS 48 CO -0.07 -0.09 0.22 0.93 -0.57 0.00 0.00 179.45 179.87 1vdy h GLU 49 N -0.48 0.41 -0.60 3.15 4.39 -0.53 -1.35 114.58 119.58 1vdy h GLU 49 Ca -0.03 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1vdy h GLU 49 Cb 0.36 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1vdy h GLU 49 CO 0.05 0.27 0.36 0.74 -1.16 0.00 0.00 179.01 179.27 1vdy h PHE 50 N 0.42 0.66 -0.48 4.33 0.04 -0.82 -1.82 116.94 119.27 1vdy h PHE 50 Ca 0.25 0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.09 1vdy h PHE 50 Cb 0.24 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.13 1vdy h PHE 50 CO -0.14 0.36 0.22 0.66 -0.60 0.00 0.00 178.31 178.81 1vdy h SER 51 N 0.69 0.29 -0.28 2.17 4.64 -0.14 -0.69 113.55 120.24 1vdy h SER 51 Ca 0.25 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.64 1vdy h SER 51 Cb 0.06 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 1vdy h SER 51 CO -0.12 0.20 0.08 -0.33 -0.87 0.00 0.00 176.83 175.79 1vdy h GLU 52 N 0.43 0.19 -0.59 4.77 4.39 -0.88 -1.96 114.58 120.93 1vdy h GLU 52 Ca 0.22 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 1vdy h GLU 52 Cb 0.16 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1vdy h GLU 52 CO -0.17 0.12 0.16 0.74 -1.16 0.00 0.00 179.01 178.70 1vdy h PHE 53 N 0.19 0.94 -0.18 4.33 0.04 -0.85 -1.98 116.94 119.43 1vdy h PHE 53 Ca 0.13 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1vdy h PHE 53 Cb 0.12 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1vdy h PHE 53 CO -0.15 0.77 0.12 0.82 -0.60 0.00 0.00 178.31 179.27 1vdy h ILE 54 N 0.88 1.06 -0.22 -0.55 2.04 -0.55 -2.20 117.51 117.97 1vdy h ILE 54 Ca 0.19 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 1vdy h ILE 54 Cb 0.29 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1vdy h ILE 54 CO -0.00 0.05 -0.01 -0.07 0.00 0.00 0.00 178.15 178.12 1vdy h LEU 55 N 0.23 0.29 -2.85 1.44 3.38 -1.11 -1.21 115.31 115.48 1vdy h LEU 55 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1vdy h LEU 55 Cb -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1vdy h LEU 55 CO -0.01 0.36 0.01 0.11 0.09 0.00 0.00 178.44 179.00 1vdy h LYS 56 N 0.31 0.00 0.06 1.13 1.79 -0.70 -1.26 116.57 117.90 1vdy h LYS 56 Ca 0.07 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.27 1vdy h LYS 56 Cb 0.23 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1vdy h LYS 56 CO 0.01 0.00 -1.43 0.00 -1.08 0.00 0.00 179.45 176.94 1vdy h ARG 57 N 0.00 0.12 0.00 3.15 2.47 -1.18 -3.29 114.38 115.65 1vdy h ARG 57 Ca 0.00 -0.20 -0.09 0.00 -1.26 0.00 0.00 59.98 58.42 1vdy h ARG 57 Cb 0.02 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1vdy h ARG 57 CO -0.00 0.93 -0.45 -0.07 0.56 0.00 0.00 179.97 180.94 1vdy h LEU 58 N 0.03 0.00 -0.14 3.04 4.07 -1.24 -2.27 115.31 118.80 1vdy h LEU 58 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1vdy h LEU 58 Cb 1.95 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.69 1vdy h LEU 58 CO 0.13 0.45 0.00 -0.67 -1.08 0.00 0.00 178.44 177.27 1vdy n ASP 59 N -3.99 0.13 -4.78 -0.43 -0.08 -0.84 -4.79 116.55 101.77 1vdy n ASP 59 Ca -0.02 0.53 -0.30 0.00 -1.51 0.00 0.00 54.79 53.49 1vdy n ASP 59 Cb 0.47 -0.56 0.10 0.00 2.34 0.00 0.00 41.12 43.47 1vdy n ASP 59 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1vdy s ASN 60 N -3.24 4.40 -0.12 1.67 3.84 -0.85 -5.00 114.94 115.64 1vdy s ASN 60 Ca 0.06 1.49 -0.02 0.00 0.21 0.00 0.00 52.86 54.60 1vdy s ASN 60 Cb 0.09 -2.23 -0.25 0.00 -0.55 0.00 0.00 41.25 38.31 1vdy s ASN 60 CO 0.28 -2.05 0.37 0.29 -2.79 0.00 0.00 177.10 173.20 1vdy n LYS 61 N -3.50 0.73 -1.78 0.43 4.01 -1.26 -4.93 118.16 111.86 1vdy n LYS 61 Ca 0.07 0.25 -0.42 0.00 -0.51 0.00 0.00 58.31 57.71 1vdy n LYS 61 Cb 0.55 -1.71 -0.03 0.00 -0.51 0.00 0.00 35.03 33.33 1vdy n LYS 61 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1vdy s SER 62 N -6.79 6.44 0.15 4.39 0.01 -1.26 -4.94 113.70 111.71 1vdy s SER 62 Ca -0.20 2.77 -0.14 0.00 1.31 0.00 0.00 55.95 59.69 1vdy s SER 62 Cb 0.07 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.75 1vdy s SER 62 CO 0.77 -0.95 1.73 1.55 0.41 0.00 0.00 173.24 176.75 1vdy h PRO 63 N 7.36 0.71 -0.16 12.44 0.13 -1.92 -3.16 132.00 147.39 1vdy h PRO 63 Ca -0.44 -0.11 0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1vdy h PRO 63 Cb 1.21 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 1vdy h PRO 63 CO 0.95 0.61 -0.47 0.82 -0.23 0.00 0.00 178.00 179.67 1vdy h ILE 64 N 0.65 0.00 -0.70 -3.56 2.04 -1.92 -2.35 117.51 111.67 1vdy h ILE 64 Ca 0.17 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.16 1vdy h ILE 64 Cb 0.14 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.08 1vdy h ILE 64 CO -0.02 0.00 -0.27 0.58 0.00 0.00 0.00 178.15 178.44 1vdy h VAL 65 N -0.47 0.20 0.48 1.67 2.07 -1.80 -2.34 116.25 116.06 1vdy h VAL 65 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1vdy h VAL 65 Cb 0.57 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1vdy h VAL 65 CO -0.40 0.00 -0.45 0.11 0.02 0.00 0.00 177.57 176.85 1vdy h LYS 66 N -0.07 -0.90 -0.76 1.57 1.57 -1.40 -2.90 116.57 113.68 1vdy h LYS 66 Ca 0.30 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.30 1vdy h LYS 66 Cb 0.55 0.20 -0.10 0.00 0.08 0.00 0.00 32.23 32.97 1vdy h LYS 66 CO -0.75 -0.60 0.27 0.37 -0.57 0.00 0.00 179.45 178.17 1vdy h GLN 67 N -0.94 0.37 -1.00 3.15 5.75 -1.08 -0.85 115.11 120.52 1vdy h GLN 67 Ca -0.05 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.56 1vdy h GLN 67 Cb 0.81 -0.08 -0.09 0.00 1.07 0.00 0.00 27.48 29.19 1vdy h GLN 67 CO -0.05 0.25 0.63 0.87 -2.65 0.00 0.00 178.83 177.88 1vdy h LYS 68 N 0.38 0.92 -0.19 1.69 1.57 -1.26 -0.53 116.57 119.16 1vdy h LYS 68 Ca 0.43 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.99 1vdy h LYS 68 Cb 0.69 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1vdy h LYS 68 CO -0.45 0.61 -0.54 0.00 -0.57 0.00 0.00 179.45 178.50 1vdy h ALA 69 N 1.56 0.71 -0.07 3.86 0.00 -1.12 -2.97 119.26 121.23 1vdy h ALA 69 Ca 0.51 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1vdy h ALA 69 Cb 0.57 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1vdy h ALA 69 CO -0.28 0.69 -0.26 -0.07 0.00 0.00 0.00 179.25 179.32 1vdy h LEU 70 N 0.42 -0.80 0.27 0.00 -0.00 -0.53 -1.00 115.31 113.67 1vdy h LEU 70 Ca 0.01 0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 1vdy h LEU 70 Cb 1.08 0.34 0.00 0.00 -0.00 0.00 0.00 40.66 42.09 1vdy h LEU 70 CO 0.10 -0.32 -0.14 -0.09 -0.00 0.00 0.00 178.44 177.99 1vdy h ARG 71 N -0.37 -0.37 -0.84 1.13 2.43 -1.54 -2.95 114.38 111.87 1vdy h ARG 71 Ca 0.08 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.46 1vdy h ARG 71 Cb 0.49 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.01 1vdy h ARG 71 CO -0.28 -0.24 0.37 1.25 -1.51 0.00 0.00 179.97 179.55 1vdy h LEU 72 N -0.38 0.35 0.07 3.80 6.46 -1.28 0.28 115.31 124.61 1vdy h LEU 72 Ca -0.03 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1vdy h LEU 72 Cb 0.30 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 1vdy h LEU 72 CO 0.05 0.08 -0.32 0.40 -0.62 0.00 0.00 178.44 178.03 1vdy h ILE 73 N 0.46 0.32 -0.12 4.05 2.04 -1.02 0.79 117.51 124.02 1vdy h ILE 73 Ca 0.49 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 66.22 1vdy h ILE 73 Cb 0.83 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1vdy h ILE 73 CO -0.46 0.00 -0.49 0.07 0.00 0.00 0.00 178.15 177.27 1vdy h LYS 74 N -0.51 0.31 -0.56 2.37 2.10 -1.25 -0.03 116.57 119.00 1vdy h LYS 74 Ca 0.04 -0.17 -0.04 0.00 -2.00 0.00 0.00 60.65 58.48 1vdy h LYS 74 Cb 0.57 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.88 1vdy h LYS 74 CO -0.22 0.73 0.21 -0.92 -2.00 0.00 0.00 179.45 177.25 1vdy h TYR 75 N 0.25 0.87 0.19 0.07 5.03 -0.08 -3.22 116.97 120.07 1vdy h TYR 75 Ca 0.01 -0.07 -0.31 0.00 2.58 0.00 0.00 58.73 60.94 1vdy h TYR 75 Cb 0.95 -0.26 0.03 0.00 1.55 0.00 0.00 36.73 39.00 1vdy h TYR 75 CO 0.02 0.71 -1.36 0.00 -1.32 0.00 0.00 178.16 176.21 1vdy h ALA 76 N 1.06 -0.06 -2.92 1.82 0.00 -0.78 -3.44 119.26 114.95 1vdy h ALA 76 Ca 0.18 -0.84 -0.53 0.00 0.00 0.00 0.00 54.91 53.72 1vdy h ALA 76 Cb 0.23 0.12 0.10 0.00 0.00 0.00 0.00 17.79 18.24 1vdy h ALA 76 CO -0.01 0.75 0.62 0.54 0.00 0.00 0.00 179.25 181.15 1vdy s VAL 77 N -2.73 2.40 0.00 0.00 0.11 -0.03 -1.43 120.40 118.72 1vdy s VAL 77 Ca -0.08 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1vdy s VAL 77 Cb 0.05 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 1vdy s VAL 77 CO 0.93 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 173.34 1vdy n GLY 78 N 0.63 2.25 0.00 6.54 0.00 -1.26 -4.75 105.19 108.60 1vdy n GLY 78 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 3.07 0.08 1.61 2.85 -0.98 -4.80 118.16 117.98 1vdy n LYS 79 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1vdy n LYS 79 Cb 0.00 -0.74 -0.08 0.00 -0.65 0.00 0.00 35.03 33.56 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 0.07 -3.41 -5.58 0.02 -1.52 -3.45 113.55 99.68 1vdy h SER 80 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1vdy h SER 80 Cb 0.03 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1vdy h SER 80 CO 0.00 1.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.30 1vdy n GLY 81 N 1.20 4.43 0.39 -3.77 0.00 -1.26 -3.24 105.19 102.93 1vdy n GLY 81 Ca -0.01 -1.22 0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 0.48 -0.64 1.61 0.02 -1.95 -1.45 113.55 111.62 1vdy h SER 82 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1vdy h SER 82 Cb 0.00 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1vdy h SER 82 CO 0.00 0.22 0.40 -0.33 -1.14 0.00 0.00 176.83 175.98 1vdy h GLU 83 N 0.49 0.85 0.00 3.45 4.39 -2.00 -1.33 114.58 120.44 1vdy h GLU 83 Ca 0.45 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 1vdy h GLU 83 Cb 0.98 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1vdy h GLU 83 CO -0.18 0.59 -0.06 0.35 -1.16 0.00 0.00 179.01 178.55 1vdy h PHE 84 N 0.86 0.00 0.28 4.33 3.57 -1.60 -0.56 116.94 123.81 1vdy h PHE 84 Ca 0.23 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1vdy h PHE 84 Cb -0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1vdy h PHE 84 CO -0.02 0.06 -0.13 -0.09 -2.23 0.00 0.00 178.31 175.89 1vdy h ARG 85 N 0.00 -0.36 -0.12 1.11 2.43 -1.27 -2.24 114.38 113.94 1vdy h ARG 85 Ca -0.00 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1vdy h ARG 85 Cb 0.11 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 1vdy h ARG 85 CO 0.01 -0.24 -0.29 0.07 -1.51 0.00 0.00 179.97 178.00 1vdy h ARG 86 N -0.51 -0.36 -0.82 0.20 -0.00 -1.33 -0.85 114.38 110.72 1vdy h ARG 86 Ca -0.04 0.02 0.06 0.00 -0.00 0.00 0.00 59.98 60.03 1vdy h ARG 86 Cb 0.29 0.08 -0.05 0.00 -0.00 0.00 0.00 29.97 30.29 1vdy h ARG 86 CO 0.06 -0.24 0.53 0.93 -0.00 0.00 0.00 179.97 181.26 1vdy h GLU 87 N -0.37 0.87 -0.20 0.08 4.39 -1.23 -1.61 114.58 116.51 1vdy h GLU 87 Ca 0.10 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1vdy h GLU 87 Cb 0.52 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1vdy h GLU 87 CO -0.33 0.57 -0.19 1.98 -1.16 0.00 0.00 179.01 179.88 1vdy h MET 88 N 0.89 0.48 -0.31 2.33 4.05 -0.70 -2.97 114.93 118.70 1vdy h MET 88 Ca 0.35 -0.25 0.05 0.00 -0.28 0.00 0.00 59.70 59.57 1vdy h MET 88 Cb 0.22 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1vdy h MET 88 CO -0.12 0.82 0.21 -0.56 0.23 0.00 0.00 176.91 177.49 1vdy h GLN 89 N 0.14 0.22 0.00 0.39 3.07 -0.38 -0.51 115.11 118.05 1vdy h GLN 89 Ca 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.73 1vdy h GLN 89 Cb 0.73 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.24 1vdy h GLN 89 CO 0.05 0.15 -0.13 0.00 0.09 0.00 0.00 178.83 178.99 1vdy h ARG 90 N 0.23 0.00 -0.09 0.06 3.08 -1.16 -2.93 114.38 113.58 1vdy h ARG 90 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1vdy h ARG 90 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1vdy h ARG 90 CO -0.03 0.13 0.00 0.09 -1.07 0.00 0.00 179.97 179.09 1vdy n ASN 91 N -4.25 2.46 0.00 7.04 3.02 -0.58 -4.76 115.26 118.19 1vdy n ASN 91 Ca -0.03 -2.42 0.01 0.00 -0.03 0.00 0.00 54.58 52.12 1vdy n ASN 91 Cb 0.20 -0.22 0.08 0.00 -0.61 0.00 0.00 39.78 39.24 1vdy n ASN 91 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1vdy n SER 92 N -0.60 0.00 -0.26 6.41 3.41 -0.30 -3.02 113.62 119.26 1vdy n SER 92 Ca 0.09 0.02 0.15 0.00 -0.26 0.00 0.00 58.87 58.87 1vdy n SER 92 Cb 0.46 -0.10 0.43 0.00 -0.26 0.00 0.00 64.21 64.74 1vdy n SER 92 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1vdy h VAL 93 N 0.00 0.76 -0.70 -3.33 3.04 -1.85 -0.69 116.25 113.48 1vdy h VAL 93 Ca 0.00 -0.20 0.03 0.00 -1.01 0.00 0.00 66.70 65.52 1vdy h VAL 93 Cb 0.01 0.13 -0.04 0.00 -2.01 0.00 0.00 31.29 29.39 1vdy h VAL 93 CO 0.00 0.11 0.46 0.00 -1.01 0.00 0.00 177.57 177.13 1vdy h ALA 94 N 1.61 1.58 -0.00 3.17 0.00 -1.95 -0.22 119.26 123.44 1vdy h ALA 94 Ca 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1vdy h ALA 94 Cb 0.91 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1vdy h ALA 94 CO -0.21 0.36 -0.08 0.28 0.00 0.00 0.00 179.25 179.60 1vdy h VAL 95 N 0.87 1.60 -0.85 0.00 2.07 -1.41 -3.31 116.25 115.21 1vdy h VAL 95 Ca 0.28 -1.86 0.10 0.00 0.82 0.00 0.00 66.70 66.03 1vdy h VAL 95 Cb 0.03 2.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 1vdy h VAL 95 CO -0.07 0.49 0.55 0.03 0.02 0.00 0.00 177.57 178.59 1vdy h ARG 96 N -0.69 0.79 0.00 1.57 3.08 -0.95 0.03 114.38 118.21 1vdy h ARG 96 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1vdy h ARG 96 Cb 0.85 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1vdy h ARG 96 CO 0.02 0.52 0.00 0.09 -1.07 0.00 0.00 179.97 179.53 1vdy n ASN 97 N -4.52 0.42 -0.34 7.04 3.02 -0.14 -1.67 115.26 119.07 1vdy n ASN 97 Ca 0.14 0.66 0.12 0.00 -0.03 0.00 0.00 54.58 55.48 1vdy n ASN 97 Cb 0.32 -0.73 0.17 0.00 -0.61 0.00 0.00 39.78 38.93 1vdy n ASN 97 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1vdy n LEU 98 N -2.03 1.47 0.23 3.41 4.77 -0.00 -4.33 117.00 120.51 1vdy n LEU 98 Ca 0.00 -0.50 0.14 0.00 -0.03 0.00 0.00 56.01 55.63 1vdy n LEU 98 Cb 0.09 -0.06 0.76 0.00 -2.33 0.00 0.00 43.42 41.87 1vdy n LEU 98 CO 0.10 0.28 0.95 -0.26 -1.33 0.00 0.00 177.39 177.13 1vdy h PHE 99 N 1.66 0.00 0.00 -1.77 0.04 -1.42 -1.42 116.94 114.02 1vdy h PHE 99 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1vdy h PHE 99 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 1vdy h PHE 99 CO 0.00 0.00 -0.22 -2.39 -0.60 0.00 0.00 178.31 175.10 1vdy n HIS 100 N -2.51 0.00 -2.04 -0.55 1.44 -1.26 -5.05 115.22 105.25 1vdy n HIS 100 Ca -0.02 -0.34 -0.40 0.00 -2.01 0.00 0.00 57.72 54.95 1vdy n HIS 100 Cb 0.10 -0.07 -0.03 0.00 0.12 0.00 0.00 29.99 30.12 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 -0.93 1.74 -0.39 -1.40 5.04 -0.54 -4.78 117.35 116.09 1vdy s TYR 101 Ca 0.09 0.75 0.23 0.00 -2.44 0.00 0.00 57.07 55.70 1vdy s TYR 101 Cb 0.08 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1vdy s TYR 101 CO 0.01 -2.47 0.98 0.36 -1.34 0.00 0.00 175.55 173.09 1vdy n LYS 102 N 8.89 0.46 0.00 4.97 2.85 -1.26 -4.67 118.16 129.40 1vdy n LYS 102 Ca 0.21 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 1vdy n LYS 102 Cb 0.50 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 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 1.28 2.75 3.00 2.58 0.00 -1.26 -4.62 105.19 108.91 1vdy n GLY 103 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 1vdy n GLY 103 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vdy s HIS 104 N 0.00 1.41 0.41 1.61 -3.43 -1.26 -5.13 115.29 108.89 1vdy s HIS 104 Ca 0.00 -0.54 -0.24 0.00 -0.80 0.00 0.00 55.06 53.48 1vdy s HIS 104 Cb 0.00 -1.06 -0.09 0.00 -1.43 0.00 0.00 32.58 30.00 1vdy s HIS 104 CO 0.00 -0.30 1.07 -1.25 -2.00 0.00 0.00 174.74 172.26 1vdy s PRO 105 N 0.83 4.11 0.42 -0.38 0.04 -1.26 -4.73 135.00 134.02 1vdy s PRO 105 Ca -0.12 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.33 1vdy s PRO 105 Cb -0.15 -2.54 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 1vdy s PRO 105 CO 0.02 -0.20 0.87 -0.51 0.04 0.00 0.00 177.00 177.22 1vdy s ASP 106 N -1.50 6.75 0.15 6.66 1.11 0.19 -4.84 116.67 125.19 1vdy s ASP 106 Ca 0.58 1.47 0.19 0.00 0.18 0.00 0.00 52.55 54.96 1vdy s ASP 106 Cb -0.24 -2.45 0.80 0.00 1.07 0.00 0.00 42.92 42.10 1vdy s ASP 106 CO 0.29 -0.38 1.57 -0.81 1.18 0.00 0.00 175.17 177.02 1vdy n PRO 107 N -0.90 0.11 0.00 8.23 -0.04 -1.26 -1.30 135.00 139.83 1vdy n PRO 107 Ca 0.05 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1vdy n PRO 107 Cb 0.54 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1vdy n PRO 107 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1vdy n LEU 108 N -1.92 0.00 -0.19 1.53 4.32 -1.26 -4.83 117.00 114.64 1vdy n LEU 108 Ca 0.02 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.04 1vdy n LEU 108 Cb 0.18 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.99 1vdy n LEU 108 CO 0.15 0.00 0.28 0.29 -1.22 0.00 0.00 177.39 176.90 1vdy n LYS 109 N -1.25 0.68 0.00 3.23 5.02 -1.21 -5.12 118.16 119.51 1vdy n LYS 109 Ca 0.00 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.59 1vdy n LYS 109 Cb 0.08 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1vdy n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vdy n GLY 110 N 0.45 0.44 0.43 0.72 0.00 -0.42 -2.95 105.19 103.86 1vdy n GLY 110 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.76 0.86 -0.00 1.61 5.75 -1.26 -0.64 116.55 120.11 1vdy n ASP 111 Ca 0.00 -2.00 0.02 0.00 -0.01 0.00 0.00 54.79 52.81 1vdy n ASP 111 Cb 0.00 -0.43 0.37 0.00 -1.03 0.00 0.00 41.12 40.03 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vdy h ALA 112 N 2.13 1.56 -0.23 2.12 0.00 -1.90 -0.00 119.26 122.95 1vdy h ALA 112 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1vdy h ALA 112 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1vdy h ALA 112 CO 0.00 0.35 -0.11 -0.07 0.00 0.00 0.00 179.25 179.41 1vdy h LEU 113 N 0.54 0.50 -0.75 0.00 -0.00 -1.81 -3.21 115.31 110.57 1vdy h LEU 113 Ca 0.13 -0.41 -0.02 0.00 -0.00 0.00 0.00 57.88 57.58 1vdy h LEU 113 Cb 0.10 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 1vdy h LEU 113 CO -0.01 0.80 0.38 0.78 -0.00 0.00 0.00 178.44 180.39 1vdy h ASN 114 N 0.19 0.97 -0.79 -0.43 2.35 -1.73 -2.74 115.58 113.40 1vdy h ASN 114 Ca 0.05 -0.12 0.16 0.00 -0.55 0.00 0.00 56.30 55.84 1vdy h ASN 114 Cb 0.61 -0.25 -0.10 0.00 0.05 0.00 0.00 38.32 38.64 1vdy h ASN 114 CO 0.03 0.81 0.32 0.50 -1.65 0.00 0.00 177.43 177.45 1vdy h LYS 115 N 1.05 0.43 -0.83 0.81 3.11 -1.02 -1.49 116.57 118.63 1vdy h LYS 115 Ca 0.26 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 58.04 1vdy h LYS 115 Cb 0.09 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.18 1vdy h LYS 115 CO -0.04 0.28 0.39 0.00 -2.81 0.00 0.00 179.45 177.28 1vdy h ALA 116 N 1.58 1.12 0.58 5.00 0.00 -1.51 -1.38 119.26 124.65 1vdy h ALA 116 Ca 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1vdy h ALA 116 Cb 0.71 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1vdy h ALA 116 CO -0.43 0.66 -0.36 0.28 0.00 0.00 0.00 179.25 179.40 1vdy h VAL 117 N 1.19 0.26 0.00 0.00 2.07 -1.33 -1.89 116.25 116.55 1vdy h VAL 117 Ca 0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.80 1vdy h VAL 117 Cb 0.13 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1vdy h VAL 117 CO -0.03 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 175.45 1vdy n ARG 118 N -5.50 0.14 -0.04 1.57 -4.01 -1.03 -1.46 116.66 106.34 1vdy n ARG 118 Ca -0.12 0.40 -0.01 0.00 -1.04 0.00 0.00 57.85 57.08 1vdy n ARG 118 Cb 0.39 -1.78 -0.00 0.00 -3.04 0.00 0.00 32.46 28.02 1vdy n ARG 118 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1vdy h GLU 119 N 0.00 0.00 -0.38 2.89 4.39 -0.93 -3.37 114.58 117.18 1vdy h GLU 119 Ca 0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 1vdy h GLU 119 Cb 0.31 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1vdy h GLU 119 CO 0.00 0.00 0.26 1.15 -1.16 0.00 0.00 179.01 179.26 1vdy h THR 120 N -0.68 0.91 -0.38 1.13 2.02 -1.35 -1.43 112.91 113.12 1vdy h THR 120 Ca 0.00 -0.07 0.11 0.00 0.77 0.00 0.00 66.41 67.22 1vdy h THR 120 Cb 0.09 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1vdy h THR 120 CO 0.00 0.04 0.45 0.00 0.37 0.00 0.00 175.52 176.37 1vdy h ALA 121 N 1.80 2.06 0.01 6.16 0.00 -1.41 0.79 119.26 128.67 1vdy h ALA 121 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1vdy h ALA 121 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1vdy h ALA 121 CO -0.03 -0.65 -0.15 0.45 0.00 0.00 0.00 179.25 178.88 1vdy h HIS 122 N 0.00 0.13 -0.55 0.00 -0.00 -1.44 -2.95 115.15 110.33 1vdy h HIS 122 Ca 0.18 -0.08 0.08 0.00 -0.00 0.00 0.00 60.37 60.56 1vdy h HIS 122 Cb 1.08 -0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 28.41 1vdy h HIS 122 CO 0.00 0.94 0.19 0.93 -0.00 0.00 0.00 177.93 179.99 1vdy h GLU 123 N -0.71 0.35 0.06 2.45 5.08 -1.24 -1.98 114.58 118.59 1vdy h GLU 123 Ca -0.02 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1vdy h GLU 123 Cb 0.99 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1vdy h GLU 123 CO 0.03 0.23 -0.12 1.15 -1.00 0.00 0.00 179.01 179.30 1vdy h THR 124 N 0.36 0.71 -0.50 1.13 2.02 -1.00 -1.43 112.91 114.20 1vdy h THR 124 Ca 0.27 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.47 1vdy h THR 124 Cb 0.33 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1vdy h THR 124 CO -0.29 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.32 1vdy h ILE 125 N -0.24 1.10 -0.94 3.11 1.08 -1.30 -2.31 117.51 118.00 1vdy h ILE 125 Ca 0.02 -0.22 0.13 0.00 -0.39 0.00 0.00 64.86 64.41 1vdy h ILE 125 Cb 0.26 0.40 -0.09 0.00 -3.07 0.00 0.00 36.82 34.33 1vdy h ILE 125 CO -0.08 0.12 0.56 -1.28 -0.69 0.00 0.00 178.15 176.78 1vdy h SER 126 N 0.64 0.78 -0.04 1.72 0.87 -0.91 -0.77 113.55 115.83 1vdy h SER 126 Ca 0.19 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1vdy h SER 126 Cb -0.04 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1vdy h SER 126 CO -0.06 0.38 -0.04 0.00 -0.53 0.00 0.00 176.83 176.58 1vdy h ALA 127 N 1.55 0.06 -0.56 6.23 0.00 -0.74 -0.11 119.26 125.69 1vdy h ALA 127 Ca 0.49 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1vdy h ALA 127 Cb 0.57 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1vdy h ALA 127 CO -0.30 -0.16 0.08 0.82 0.00 0.00 0.00 179.25 179.69 1vdy h ILE 128 N -0.35 1.24 -0.47 0.00 2.04 -1.08 -2.69 117.51 116.20 1vdy h ILE 128 Ca 0.01 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1vdy h ILE 128 Cb 0.53 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1vdy h ILE 128 CO 0.01 0.35 0.00 0.49 0.00 0.00 0.00 178.15 179.00 1vdy n PHE 129 N -4.24 0.63 -1.58 1.37 3.01 -0.33 -4.87 117.46 111.45 1vdy n PHE 129 Ca 0.04 -0.31 -0.34 0.00 1.01 0.00 0.00 57.45 57.84 1vdy n PHE 129 Cb 0.27 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.81 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1vdy s SER 130 N -1.11 4.58 0.32 4.37 0.15 -0.06 -4.99 113.70 116.96 1vdy s SER 130 Ca 0.35 2.22 0.05 0.00 0.70 0.00 0.00 55.95 59.27 1vdy s SER 130 Cb 0.19 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.86 1vdy s SER 130 CO 0.25 -2.00 0.02 -1.61 1.20 0.00 0.00 173.24 171.10 1vdy s GLU 131 N -3.94 1.64 0.26 5.44 2.02 -1.26 -5.05 118.70 117.81 1vdy s GLU 131 Ca 0.72 -1.89 0.06 0.00 0.02 0.00 0.00 54.97 53.87 1vdy s GLU 131 Cb -0.26 -1.00 -0.06 0.00 0.10 0.00 0.00 34.13 32.91 1vdy s GLU 131 CO 0.43 -0.11 -0.04 -1.21 0.02 0.00 0.00 175.26 174.35 1vdy s GLU 132 N -3.83 1.48 0.00 1.61 0.41 -1.26 -5.04 118.70 112.07 1vdy s GLU 132 Ca 0.34 -1.75 0.00 0.00 -0.41 0.00 0.00 54.97 53.15 1vdy s GLU 132 Cb 0.07 -0.98 0.00 0.00 -1.78 0.00 0.00 34.13 31.45 1vdy s GLU 132 CO 0.14 -0.01 0.42 -1.71 -0.49 0.00 0.00 175.26 173.62 1vdy n ASN 133 N -0.53 0.53 -2.95 -0.19 5.15 -1.26 -3.97 115.26 112.03 1vdy n ASN 133 Ca -0.05 -1.37 -0.26 0.00 -0.60 0.00 0.00 54.58 52.29 1vdy n ASN 133 Cb 0.64 -0.26 -0.04 0.00 -0.53 0.00 0.00 39.78 39.58 1vdy n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vdy n GLY 134 N 0.16 5.49 3.25 8.20 0.00 -1.26 -5.03 105.19 116.00 1vdy n GLY 134 Ca 0.00 -2.72 -0.13 0.00 0.00 0.00 0.00 46.02 43.17 1vdy n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vdy s SER 135 N -3.41 -0.19 0.24 1.61 0.15 -1.25 -5.18 113.70 105.67 1vdy s SER 135 Ca 0.48 0.05 0.07 0.00 0.70 0.00 0.00 55.95 57.25 1vdy s SER 135 Cb 0.29 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 1vdy s SER 135 CO -0.14 -0.48 0.22 -0.83 1.20 0.00 0.00 173.24 173.22 1vdy s GLY 136 N -1.44 1.40 -0.74 9.45 0.00 -1.26 -5.04 107.32 109.68 1vdy s GLY 136 Ca -0.12 -1.37 -0.26 0.00 0.00 0.00 0.00 44.72 42.97 1vdy s GLY 136 CO 0.03 -1.40 2.03 2.56 0.00 0.00 0.00 173.10 176.32 1vdy s PRO 137 N -3.81 2.40 -0.08 2.90 0.04 -1.26 -4.73 135.00 130.46 1vdy s PRO 137 Ca 0.33 0.30 0.18 0.00 0.04 0.00 0.00 61.00 61.85 1vdy s PRO 137 Cb -0.08 -4.74 -0.23 0.00 0.04 0.00 0.00 34.50 29.48 1vdy s PRO 137 CO 0.26 -3.29 0.42 -1.13 0.04 0.00 0.00 177.00 173.29 1vdy n SER 138 N 14.39 0.33 -4.86 6.66 3.41 -1.26 -4.97 113.62 127.33 1vdy n SER 138 Ca 0.34 0.15 -0.23 0.00 -0.26 0.00 0.00 58.87 58.86 1vdy n SER 138 Cb 0.49 0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 65.23 1vdy n SER 138 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vdy s SER 139 N -5.46 5.79 0.00 4.04 0.01 -1.26 -5.35 113.70 111.46 1vdy s SER 139 Ca -0.07 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1vdy s SER 139 Cb 0.08 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.74 1vdy s SER 139 CO 0.84 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 175.10