#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy n SER 2 N 0.00 -1.70 0.15 1.61 7.64 -1.26 -5.05 113.62 115.01 1vdy n SER 2 Ca 0.00 -2.06 0.06 0.00 1.01 0.00 0.00 58.87 57.89 1vdy n SER 2 Cb 0.00 2.81 0.06 0.00 -1.01 0.00 0.00 64.21 66.07 1vdy n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1vdy h SER 3 N 1.66 0.00 0.00 6.43 4.64 -2.11 -3.47 113.55 120.69 1vdy h SER 3 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1vdy h SER 3 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1vdy h SER 3 CO 0.33 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 1vdy n GLY 4 N 1.19 -1.46 3.58 -0.77 0.00 -1.26 -5.15 105.19 101.33 1vdy n GLY 4 Ca 0.01 0.54 -0.11 0.00 0.00 0.00 0.00 46.02 46.46 1vdy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vdy s SER 5 N 0.00 0.25 0.00 1.61 1.04 -1.26 -5.12 113.70 110.22 1vdy s SER 5 Ca 0.00 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1vdy s SER 5 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1vdy s SER 5 CO 0.00 -1.26 0.00 -1.20 0.98 0.00 0.00 173.24 171.76 1vdy n SER 6 N -0.84 0.00 0.00 7.02 7.64 -1.26 -5.10 113.62 121.08 1vdy n SER 6 Ca -0.02 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1vdy n SER 6 Cb 0.62 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1vdy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vdy n GLY 7 N 2.00 0.65 0.00 0.23 0.00 -1.26 -4.98 105.19 101.83 1vdy n GLY 7 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.42 1vdy n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vdy n GLU 8 N 0.00 0.68 -0.31 1.61 -0.58 -1.26 -3.93 120.64 116.84 1vdy n GLU 8 Ca 0.00 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.90 1vdy n GLU 8 Cb 0.00 -1.21 0.35 0.00 -0.57 0.00 0.00 31.44 30.01 1vdy n GLU 8 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1vdy h SER 9 N 0.00 0.32 -0.24 1.62 0.87 -2.00 -1.89 113.55 112.23 1vdy h SER 9 Ca 0.00 0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 1vdy h SER 9 Cb 0.00 0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.04 1vdy h SER 9 CO 0.00 -0.06 -0.38 0.22 -0.53 0.00 0.00 176.83 176.08 1vdy h TYR 10 N 0.36 -1.09 0.36 2.24 3.20 -1.98 0.18 116.97 120.23 1vdy h TYR 10 Ca 0.60 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.52 1vdy h TYR 10 Cb 1.22 0.51 -0.02 0.00 1.54 0.00 0.00 36.73 39.98 1vdy h TYR 10 CO -0.13 -0.43 -0.37 2.35 -1.64 0.00 0.00 178.16 177.93 1vdy h TRP 11 N -0.39 -1.02 0.71 -3.82 -0.00 -1.67 0.77 115.95 110.53 1vdy h TRP 11 Ca 0.11 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.98 1vdy h TRP 11 Cb 0.58 0.40 0.00 0.00 -0.00 0.00 0.00 29.16 30.14 1vdy h TRP 11 CO -0.51 -0.52 -0.37 0.00 -0.00 0.00 0.00 178.44 177.04 1vdy h ARG 12 N -0.76 -0.96 -0.85 2.65 3.08 -1.47 -2.18 114.38 113.90 1vdy h ARG 12 Ca -0.03 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.18 1vdy h ARG 12 Cb 0.69 0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.89 1vdy h ARG 12 CO -0.07 -0.64 0.50 1.03 -1.07 0.00 0.00 179.97 179.72 1vdy h SER 13 N -0.99 0.73 -0.64 7.04 0.87 -0.65 -1.51 113.55 118.39 1vdy h SER 13 Ca -0.09 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1vdy h SER 13 Cb 0.77 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1vdy h SER 13 CO 0.14 0.42 0.42 0.03 -0.53 0.00 0.00 176.83 177.31 1vdy h ARG 14 N 0.84 0.85 -0.12 2.24 -0.00 -0.62 0.22 114.38 117.78 1vdy h ARG 14 Ca 0.40 -0.05 0.02 0.00 -0.50 0.00 0.00 59.98 59.85 1vdy h ARG 14 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 29.97 30.10 1vdy h ARG 14 CO -0.24 0.56 -0.03 0.52 0.00 0.00 0.00 179.97 180.79 1vdy h MET 15 N 0.87 0.00 -0.03 0.04 2.86 -0.65 -1.01 114.93 117.02 1vdy h MET 15 Ca 0.23 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1vdy h MET 15 Cb -0.10 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 1vdy h MET 15 CO -0.05 0.00 0.02 0.82 1.06 0.00 0.00 176.91 178.76 1vdy h ILE 16 N 0.00 1.05 -0.68 -1.22 1.08 -1.01 -2.79 117.51 113.94 1vdy h ILE 16 Ca 0.06 -0.14 0.11 0.00 -0.39 0.00 0.00 64.86 64.50 1vdy h ILE 16 Cb 0.09 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 1vdy h ILE 16 CO -0.13 0.04 0.45 -0.78 -0.69 0.00 0.00 178.15 177.04 1vdy h ASP 17 N -0.02 0.43 0.35 1.72 3.58 -0.26 0.14 116.42 122.36 1vdy h ASP 17 Ca 0.01 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1vdy h ASP 17 Cb 0.05 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 1vdy h ASP 17 CO -0.00 0.25 -0.09 0.00 -2.88 0.00 0.00 179.24 176.52 1vdy h ALA 18 N 1.67 1.25 -0.00 -0.78 0.00 -0.90 0.21 119.26 120.70 1vdy h ALA 18 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1vdy h ALA 18 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1vdy h ALA 18 CO -0.10 0.11 -0.43 1.33 0.00 0.00 0.00 179.25 180.15 1vdy n VAL 19 N -3.55 0.00 -0.93 0.00 0.24 -0.44 -4.46 118.33 109.19 1vdy n VAL 19 Ca -0.02 -0.28 0.09 0.00 -2.04 0.00 0.00 64.34 62.09 1vdy n VAL 19 Cb 0.21 1.01 0.19 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.18 1.97 -1.68 3.34 -2.24 0.36 -4.63 114.28 110.22 1vdy n THR 20 Ca 0.02 -1.96 -0.40 0.00 -2.27 0.00 0.00 64.05 59.43 1vdy n THR 20 Cb 0.15 -0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.23 1vdy n THR 20 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1vdy n SER 21 N -0.88 2.09 0.01 3.42 2.88 0.70 -4.75 113.62 117.10 1vdy n SER 21 Ca 0.17 1.04 0.03 0.00 -1.33 0.00 0.00 58.87 58.79 1vdy n SER 21 Cb 0.72 -1.47 0.15 0.00 -0.75 0.00 0.00 64.21 62.86 1vdy n SER 21 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1vdy n ASP 22 N 0.01 0.04 -4.67 -3.46 5.75 -1.26 -4.68 116.55 108.27 1vdy n ASP 22 Ca 0.08 0.52 -0.38 0.00 -0.01 0.00 0.00 54.79 55.00 1vdy n ASP 22 Cb 0.41 -0.52 0.05 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.55 1.26 0.23 0.11 0.28 -1.26 -4.82 120.64 114.88 1vdy n GLU 23 Ca 0.01 0.47 0.11 0.00 -0.16 0.00 0.00 57.16 57.60 1vdy n GLU 23 Cb 0.07 -2.34 0.41 0.00 1.43 0.00 0.00 31.44 31.01 1vdy n GLU 23 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1vdy h ASP 24 N 0.95 0.00 -2.62 -1.84 3.58 -2.00 -3.45 116.42 111.03 1vdy h ASP 24 Ca -0.49 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.43 1vdy h ASP 24 Cb 1.34 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.43 1vdy h ASP 24 CO 0.54 0.16 1.04 -0.75 -2.88 0.00 0.00 179.24 177.35 1vdy s LYS 25 N -3.49 4.15 0.61 0.28 2.47 -1.26 -4.97 119.74 117.53 1vdy s LYS 25 Ca 0.02 2.52 -0.19 0.00 -1.56 0.00 0.00 55.97 56.77 1vdy s LYS 25 Cb 0.09 -3.43 -0.03 0.00 -1.46 0.00 0.00 37.83 33.00 1vdy s LYS 25 CO 0.63 -0.78 1.24 0.54 0.16 0.00 0.00 175.35 177.15 1vdy s VAL 26 N 2.20 2.40 -0.01 4.02 0.11 -1.26 -4.94 120.40 122.91 1vdy s VAL 26 Ca 0.77 0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 59.77 1vdy s VAL 26 Cb -0.45 -3.10 -0.07 0.00 -1.53 0.00 0.00 36.38 31.23 1vdy s VAL 26 CO 0.34 -0.05 1.68 0.00 -3.33 0.00 0.00 175.10 173.74 1vdy s ALA 27 N -1.51 3.63 0.56 1.54 0.00 -1.26 -4.99 121.76 119.73 1vdy s ALA 27 Ca 0.79 1.04 -0.17 0.00 0.00 0.00 0.00 51.96 53.62 1vdy s ALA 27 Cb -0.33 -3.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.00 1vdy s ALA 27 CO 0.36 -1.32 1.06 -1.25 0.00 0.00 0.00 175.76 174.61 1vdy s PRO 28 N 3.67 3.42 0.22 0.00 0.04 -1.26 -4.94 135.00 136.15 1vdy s PRO 28 Ca 0.75 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 1vdy s PRO 28 Cb -0.36 -2.04 0.32 0.00 0.04 0.00 0.00 34.50 32.46 1vdy s PRO 28 CO 0.31 -0.74 1.74 0.28 0.04 0.00 0.00 177.00 178.64 1vdy h VAL 29 N 0.83 0.74 -0.07 -0.36 2.07 -2.00 -2.10 116.25 115.37 1vdy h VAL 29 Ca -0.48 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1vdy h VAL 29 Cb 1.23 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1vdy h VAL 29 CO 0.58 0.08 0.18 0.10 0.02 0.00 0.00 177.57 178.52 1vdy h TYR 30 N 0.42 0.00 0.11 1.57 -0.00 -2.00 -0.32 116.97 116.76 1vdy h TYR 30 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 58.73 58.76 1vdy h TYR 30 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.15 1vdy h TYR 30 CO -0.17 0.00 -1.61 0.87 -0.00 0.00 0.00 178.16 177.25 1vdy h LYS 31 N 0.00 0.23 -0.58 0.10 1.57 -1.76 -3.33 116.57 112.79 1vdy h LYS 31 Ca 0.03 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1vdy h LYS 31 Cb 0.39 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1vdy h LYS 31 CO -0.00 1.19 0.32 -0.07 -0.57 0.00 0.00 179.45 180.32 1vdy h LEU 32 N -0.24 0.72 -1.74 2.94 3.38 -1.17 -2.67 115.31 116.54 1vdy h LEU 32 Ca -0.35 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1vdy h LEU 32 Cb 1.82 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 1vdy h LEU 32 CO 0.04 0.61 -0.15 1.05 0.09 0.00 0.00 178.44 180.08 1vdy h GLU 33 N 0.79 0.00 0.15 1.13 4.11 -1.28 -2.83 114.58 116.64 1vdy h GLU 33 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.63 1vdy h GLU 33 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1vdy h GLU 33 CO -0.03 0.15 -0.07 0.93 0.07 0.00 0.00 179.01 180.05 1vdy h GLU 34 N 0.00 -0.19 -0.44 1.06 5.08 -1.58 -1.66 114.58 116.85 1vdy h GLU 34 Ca -0.00 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1vdy h GLU 34 Cb 0.27 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 1vdy h GLU 34 CO 0.02 0.10 0.03 0.82 -1.00 0.00 0.00 179.01 178.98 1vdy h ILE 35 N -0.49 0.70 -0.04 3.13 2.04 -1.48 -1.01 117.51 120.35 1vdy h ILE 35 Ca -0.02 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1vdy h ILE 35 Cb 0.38 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1vdy h ILE 35 CO 0.03 0.03 -0.12 0.00 0.00 0.00 0.00 178.15 178.09 1vdy h ASP 37 N -0.18 0.77 -0.27 0.00 5.19 -0.71 -3.02 116.42 118.19 1vdy h ASP 37 Ca 0.06 -0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.24 1vdy h ASP 37 Cb 0.26 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 1vdy h ASP 37 CO -0.15 0.71 -0.27 -0.07 -3.12 0.00 0.00 179.24 176.34 1vdy h LEU 38 N 0.82 0.71 -1.00 1.55 3.38 -0.92 -3.27 115.31 116.59 1vdy h LEU 38 Ca 0.19 -0.47 0.30 0.00 0.09 0.00 0.00 57.88 57.99 1vdy h LEU 38 Cb 0.21 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 40.62 1vdy h LEU 38 CO -0.01 1.04 0.56 -0.07 0.09 0.00 0.00 178.44 180.04 1vdy h LEU 39 N 0.40 0.53 0.00 1.67 3.38 -0.78 0.36 115.31 120.87 1vdy h LEU 39 Ca 0.04 0.18 -0.22 0.00 0.09 0.00 0.00 57.88 57.97 1vdy h LEU 39 Cb 0.84 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1vdy h LEU 39 CO 0.07 -0.08 -1.36 0.08 0.09 0.00 0.00 178.44 177.24 1vdy h ARG 40 N 0.38 0.00 -0.03 1.13 -0.00 -1.67 -3.32 114.38 110.86 1vdy h ARG 40 Ca 0.70 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 60.62 1vdy h ARG 40 Cb 1.54 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.50 1vdy h ARG 40 CO -0.58 0.55 -0.29 1.03 -0.00 0.00 0.00 179.97 180.68 1vdy h SER 41 N 0.00 0.05 -3.27 0.08 0.87 -1.02 -3.44 113.55 106.82 1vdy h SER 41 Ca -0.17 -0.02 -0.45 0.00 -1.23 0.00 0.00 61.79 59.93 1vdy h SER 41 Cb 1.79 -0.01 0.07 0.00 -0.44 0.00 0.00 62.40 63.80 1vdy h SER 41 CO 0.08 0.34 0.15 -0.44 -0.53 0.00 0.00 176.83 176.43 1vdy s SER 42 N -6.94 4.85 0.54 6.23 0.01 -0.55 -5.08 113.70 112.76 1vdy s SER 42 Ca -0.04 0.24 -0.17 0.00 1.31 0.00 0.00 55.95 57.30 1vdy s SER 42 Cb 0.15 -0.92 -0.06 0.00 0.21 0.00 0.00 66.02 65.40 1vdy s SER 42 CO 0.72 -1.53 1.03 -2.28 0.41 0.00 0.00 173.24 171.59 1vdy s HIS 43 N -3.12 3.15 0.51 2.43 2.46 -1.26 -4.95 115.29 114.50 1vdy s HIS 43 Ca 0.60 1.52 0.23 0.00 0.47 0.00 0.00 55.06 57.88 1vdy s HIS 43 Cb -0.10 -2.95 1.32 0.00 -0.13 0.00 0.00 32.58 30.72 1vdy s HIS 43 CO 0.43 -0.78 1.97 -0.24 -2.47 0.00 0.00 174.74 173.65 1vdy h VAL 44 N 0.89 0.74 -0.10 0.89 3.04 -1.96 0.05 116.25 119.79 1vdy h VAL 44 Ca -0.47 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.16 1vdy h VAL 44 Cb 1.21 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 1vdy h VAL 44 CO 0.59 0.02 -0.03 -1.28 -1.01 0.00 0.00 177.57 175.85 1vdy h SER 45 N 0.10 0.13 -0.30 3.17 0.87 -1.98 0.43 113.55 115.97 1vdy h SER 45 Ca 0.29 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.70 1vdy h SER 45 Cb 1.01 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1vdy h SER 45 CO -0.03 0.20 -0.34 0.40 -0.53 0.00 0.00 176.83 176.52 1vdy h ILE 46 N 0.15 1.29 -0.47 2.23 1.08 -1.36 0.02 117.51 120.45 1vdy h ILE 46 Ca 0.04 -1.52 -0.03 0.00 -0.39 0.00 0.00 64.86 62.95 1vdy h ILE 46 Cb 0.16 1.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 1vdy h ILE 46 CO 0.01 0.49 0.17 0.58 -0.69 0.00 0.00 178.15 178.71 1vdy h VAL 47 N 0.53 1.22 0.28 1.67 2.07 -1.30 0.18 116.25 120.89 1vdy h VAL 47 Ca 0.04 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1vdy h VAL 47 Cb 0.92 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1vdy h VAL 47 CO 0.08 0.26 -0.13 0.11 0.02 0.00 0.00 177.57 177.91 1vdy h LYS 48 N 0.62 -0.36 -0.72 1.57 1.57 -0.87 -2.33 116.57 116.05 1vdy h LYS 48 Ca 0.15 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1vdy h LYS 48 Cb 0.23 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1vdy h LYS 48 CO -0.01 -0.23 0.29 0.93 -0.57 0.00 0.00 179.45 179.86 1vdy h GLU 49 N -0.39 1.05 -0.52 3.15 5.08 -0.78 -2.78 114.58 119.39 1vdy h GLU 49 Ca -0.04 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1vdy h GLU 49 Cb 0.30 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1vdy h GLU 49 CO 0.06 0.85 0.26 0.74 -1.00 0.00 0.00 179.01 179.92 1vdy h PHE 50 N 1.03 0.47 -0.49 4.33 0.04 -0.42 -2.33 116.94 119.57 1vdy h PHE 50 Ca 0.24 0.02 0.10 0.00 2.80 0.00 0.00 57.97 61.13 1vdy h PHE 50 Cb 0.19 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.12 1vdy h PHE 50 CO 0.02 0.22 -0.08 0.77 -0.60 0.00 0.00 178.31 178.64 1vdy h SER 51 N 0.50 -0.38 0.09 2.17 0.02 -1.14 -1.56 113.55 113.26 1vdy h SER 51 Ca 0.23 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1vdy h SER 51 Cb 0.15 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1vdy h SER 51 CO -0.17 -0.14 -0.10 -0.33 -1.14 0.00 0.00 176.83 174.96 1vdy h GLU 52 N 0.03 -0.21 -0.52 3.45 4.39 -1.39 -2.24 114.58 118.09 1vdy h GLU 52 Ca 0.24 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.99 1vdy h GLU 52 Cb 0.37 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1vdy h GLU 52 CO -0.48 -0.14 0.35 0.74 -1.16 0.00 0.00 179.01 178.32 1vdy h PHE 53 N -0.22 0.57 0.35 4.33 0.04 -0.96 -1.43 116.94 119.62 1vdy h PHE 53 Ca 0.01 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1vdy h PHE 53 Cb 0.22 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1vdy h PHE 53 CO -0.12 0.33 -0.17 0.82 -0.60 0.00 0.00 178.31 178.57 1vdy h ILE 54 N 0.59 0.63 -0.82 -0.55 2.04 -0.91 -3.19 117.51 115.29 1vdy h ILE 54 Ca 0.21 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 65.70 1vdy h ILE 54 Cb 0.11 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1vdy h ILE 54 CO -0.06 0.09 0.54 -0.07 0.00 0.00 0.00 178.15 178.65 1vdy h LEU 55 N -0.75 0.69 -1.98 1.44 3.38 -0.96 -0.46 115.31 116.67 1vdy h LEU 55 Ca -0.05 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1vdy h LEU 55 Cb 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1vdy h LEU 55 CO 0.08 0.41 0.25 0.11 0.09 0.00 0.00 178.44 179.38 1vdy h LYS 56 N 0.77 0.02 -0.05 1.13 1.79 -1.26 0.47 116.57 119.44 1vdy h LYS 56 Ca 0.38 -0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.66 1vdy h LYS 56 Cb 0.45 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1vdy h LYS 56 CO -0.15 0.02 -0.77 0.00 -1.08 0.00 0.00 179.45 177.47 1vdy h ARG 57 N 0.02 0.33 0.00 3.15 2.47 -1.13 -3.14 114.38 116.09 1vdy h ARG 57 Ca 0.17 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1vdy h ARG 57 Cb 0.63 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1vdy h ARG 57 CO -0.01 0.95 0.00 -0.07 0.56 0.00 0.00 179.97 181.41 1vdy h LEU 58 N 0.22 0.00 -0.71 3.04 4.07 -0.88 -2.67 115.31 118.38 1vdy h LEU 58 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1vdy h LEU 58 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1vdy h LEU 58 CO 0.13 0.00 -0.46 -0.67 -1.08 0.00 0.00 178.44 176.35 1vdy n ASP 59 N -2.66 1.56 -4.69 -0.43 2.03 -1.10 -4.89 116.55 106.37 1vdy n ASP 59 Ca 0.01 -1.22 -0.34 0.00 0.52 0.00 0.00 54.79 53.76 1vdy n ASP 59 Cb 0.22 0.41 0.13 0.00 -0.72 0.00 0.00 41.12 41.16 1vdy n ASP 59 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1vdy n ASN 60 N -0.41 1.08 0.12 1.67 2.85 -1.00 -4.94 115.26 114.62 1vdy n ASN 60 Ca 0.09 0.60 -0.02 0.00 -0.11 0.00 0.00 54.58 55.14 1vdy n ASN 60 Cb 0.41 -1.51 0.07 0.00 1.24 0.00 0.00 39.78 39.99 1vdy n ASN 60 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1vdy h LYS 61 N -0.85 0.00 -6.33 1.20 1.63 -1.94 -3.45 116.57 106.84 1vdy h LYS 61 Ca -0.46 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 58.79 1vdy h LYS 61 Cb 1.30 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1vdy h LYS 61 CO 0.46 0.71 0.95 -1.54 -3.45 0.00 0.00 179.45 176.59 1vdy s SER 62 N -6.69 6.76 0.16 4.20 1.04 -1.26 -4.94 113.70 112.96 1vdy s SER 62 Ca 0.00 2.18 -0.15 0.00 0.48 0.00 0.00 55.95 58.46 1vdy s SER 62 Cb 0.11 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.72 1vdy s SER 62 CO 0.77 -0.82 1.77 1.55 0.98 0.00 0.00 173.24 177.49 1vdy h PRO 63 N 8.53 0.68 0.13 4.02 0.13 -1.90 -3.20 132.00 140.39 1vdy h PRO 63 Ca -0.38 -0.08 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1vdy h PRO 63 Cb 1.17 -0.13 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 1vdy h PRO 63 CO 0.93 0.53 -0.43 0.82 -0.23 0.00 0.00 178.00 179.62 1vdy h ILE 64 N 0.65 0.13 -0.94 -3.56 2.04 -1.92 -2.44 117.51 111.46 1vdy h ILE 64 Ca 0.17 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.28 1vdy h ILE 64 Cb 0.05 0.13 -0.13 0.00 -0.74 0.00 0.00 36.82 36.13 1vdy h ILE 64 CO -0.03 0.00 0.45 0.58 0.00 0.00 0.00 178.15 179.16 1vdy h VAL 65 N -0.67 0.43 0.67 1.67 2.07 -1.82 -2.00 116.25 116.59 1vdy h VAL 65 Ca 0.02 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1vdy h VAL 65 Cb 0.70 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1vdy h VAL 65 CO -0.24 0.07 -0.35 0.11 0.02 0.00 0.00 177.57 177.18 1vdy h LYS 66 N 0.40 -0.90 -0.87 1.57 1.57 -1.47 -3.13 116.57 113.74 1vdy h LYS 66 Ca 0.61 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.65 1vdy h LYS 66 Cb 1.23 0.20 -0.16 0.00 0.08 0.00 0.00 32.23 33.59 1vdy h LYS 66 CO -0.55 -0.60 -0.12 0.37 -0.57 0.00 0.00 179.45 177.98 1vdy h GLN 67 N -0.93 0.02 -0.36 3.15 -0.00 -1.24 -0.85 115.11 114.90 1vdy h GLN 67 Ca -0.09 -0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.61 1vdy h GLN 67 Cb 0.73 -0.01 -0.05 0.00 0.00 0.00 0.00 27.48 28.15 1vdy h GLN 67 CO 0.13 0.02 0.07 0.87 0.00 0.00 0.00 178.83 179.92 1vdy h LYS 68 N 0.02 0.19 -0.70 1.69 1.57 -1.50 -1.60 116.57 116.24 1vdy h LYS 68 Ca 0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1vdy h LYS 68 Cb 0.77 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 1vdy h LYS 68 CO -0.85 0.12 0.46 0.00 -0.57 0.00 0.00 179.45 178.61 1vdy h ALA 69 N 1.27 0.89 -0.33 3.86 0.00 -1.13 -2.16 119.26 121.66 1vdy h ALA 69 Ca 0.17 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1vdy h ALA 69 Cb 0.20 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 1vdy h ALA 69 CO -0.23 0.33 -0.20 -0.07 0.00 0.00 0.00 179.25 179.09 1vdy h LEU 70 N 0.95 -0.65 -0.22 0.00 -0.00 -0.66 0.11 115.31 114.85 1vdy h LEU 70 Ca 0.26 0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 58.27 1vdy h LEU 70 Cb -0.09 0.34 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1vdy h LEU 70 CO -0.05 -0.23 0.13 -0.09 -0.00 0.00 0.00 178.44 178.20 1vdy h ARG 71 N -0.15 0.29 -0.63 1.13 2.43 -1.23 -2.82 114.38 113.41 1vdy h ARG 71 Ca 0.17 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1vdy h ARG 71 Cb 0.41 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1vdy h ARG 71 CO -0.42 0.24 0.32 1.25 -1.51 0.00 0.00 179.97 179.85 1vdy h LEU 72 N 0.26 0.46 0.19 3.80 5.85 -0.71 -1.51 115.31 123.64 1vdy h LEU 72 Ca 0.08 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1vdy h LEU 72 Cb 0.02 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1vdy h LEU 72 CO -0.01 0.29 -0.32 0.40 -0.34 0.00 0.00 178.44 178.46 1vdy h ILE 73 N 0.60 0.32 0.06 4.05 2.04 -0.79 0.11 117.51 123.91 1vdy h ILE 73 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 1vdy h ILE 73 Cb 0.22 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1vdy h ILE 73 CO -0.20 0.00 -0.05 0.07 0.00 0.00 0.00 178.15 177.97 1vdy h LYS 74 N -0.59 -0.12 -0.13 2.37 2.10 -1.24 0.21 116.57 119.17 1vdy h LYS 74 Ca 0.01 0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.72 1vdy h LYS 74 Cb 0.59 0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.89 1vdy h LYS 74 CO -0.14 -0.08 -0.22 -0.92 -2.00 0.00 0.00 179.45 176.09 1vdy h TYR 75 N -0.12 -0.57 0.60 0.07 3.20 -1.13 -1.46 116.97 117.57 1vdy h TYR 75 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1vdy h TYR 75 Cb 0.11 0.27 0.01 0.00 1.54 0.00 0.00 36.73 38.66 1vdy h TYR 75 CO -0.09 -0.30 -0.29 0.00 -1.64 0.00 0.00 178.16 175.84 1vdy h ALA 76 N 0.70 -0.81 -0.00 1.82 0.00 -0.63 -3.09 119.26 117.24 1vdy h ALA 76 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vdy h ALA 76 Cb 0.42 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1vdy h ALA 76 CO -0.29 -0.90 0.02 -0.24 0.00 0.00 0.00 179.25 177.85 1vdy h VAL 77 N -0.92 0.08 0.00 0.00 3.04 -0.48 0.36 116.25 118.33 1vdy h VAL 77 Ca -0.08 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1vdy h VAL 77 Cb 0.66 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1vdy h VAL 77 CO 0.14 0.00 -0.18 1.23 -1.01 0.00 0.00 177.57 177.75 1vdy h GLY 78 N 0.00 0.00 0.00 3.17 0.00 -1.18 -3.41 103.07 101.65 1vdy h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vdy h GLY 78 CO -0.00 0.00 -0.01 0.58 0.00 0.00 0.00 176.54 177.11 1vdy n LYS 79 N -2.67 0.93 0.37 4.80 2.85 -0.75 -4.91 118.16 118.78 1vdy n LYS 79 Ca 0.04 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.12 1vdy n LYS 79 Cb 0.49 -0.08 -0.09 0.00 -0.65 0.00 0.00 35.03 34.70 1vdy n LYS 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vdy h SER 80 N 0.00 -0.78 0.00 -5.58 4.64 -1.19 -3.50 113.55 107.14 1vdy h SER 80 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1vdy h SER 80 Cb 0.00 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1vdy h SER 80 CO 0.00 -0.51 0.00 0.61 -0.87 0.00 0.00 176.83 176.06 1vdy n GLY 81 N -1.28 -0.45 0.00 -0.77 0.00 -1.26 -4.72 105.19 96.70 1vdy n GLY 81 Ca -0.13 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1vdy n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vdy n SER 82 N 0.00 0.51 -0.06 1.61 2.88 -1.26 -4.71 113.62 112.58 1vdy n SER 82 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1vdy n SER 82 Cb 0.00 0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.52 1vdy n SER 82 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1vdy h GLU 83 N 0.00 0.33 -0.52 -1.46 4.39 -2.00 -1.74 114.58 113.57 1vdy h GLU 83 Ca 0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1vdy h GLU 83 Cb 0.01 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1vdy h GLU 83 CO 0.00 0.35 0.29 0.35 -1.16 0.00 0.00 179.01 178.83 1vdy h PHE 84 N 0.23 0.70 0.69 4.33 3.57 -1.90 -2.64 116.94 121.92 1vdy h PHE 84 Ca 0.08 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1vdy h PHE 84 Cb 0.13 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1vdy h PHE 84 CO -0.02 0.49 -0.46 -0.09 -2.23 0.00 0.00 178.31 176.00 1vdy h ARG 85 N 0.72 -1.05 -0.12 1.11 2.43 -1.63 -0.23 114.38 115.61 1vdy h ARG 85 Ca 0.19 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1vdy h ARG 85 Cb 0.02 0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1vdy h ARG 85 CO -0.03 -0.70 -0.12 0.00 -1.51 0.00 0.00 179.97 177.61 1vdy h ARG 86 N -1.09 -0.14 -0.86 0.20 2.47 -1.13 -0.72 114.38 113.11 1vdy h ARG 86 Ca -0.09 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.68 1vdy h ARG 86 Cb 0.89 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 29.19 1vdy h ARG 86 CO 0.07 -0.09 0.55 0.93 0.56 0.00 0.00 179.97 181.99 1vdy h GLU 87 N -0.15 1.04 -0.30 0.04 3.07 -1.46 -0.66 114.58 116.16 1vdy h GLU 87 Ca 0.08 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1vdy h GLU 87 Cb 0.27 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1vdy h GLU 87 CO -0.21 0.69 0.09 1.98 -1.40 0.00 0.00 179.01 180.16 1vdy h MET 88 N 1.07 0.46 -0.46 2.33 4.05 -0.24 -2.84 114.93 119.30 1vdy h MET 88 Ca 0.35 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.64 1vdy h MET 88 Cb 0.03 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1vdy h MET 88 CO -0.12 0.51 0.16 -0.56 0.23 0.00 0.00 176.91 177.12 1vdy h GLN 89 N 0.32 0.70 0.00 0.39 3.07 -0.60 -1.26 115.11 117.73 1vdy h GLN 89 Ca 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1vdy h GLN 89 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.69 1vdy h GLN 89 CO -0.00 0.65 0.00 0.00 0.09 0.00 0.00 178.83 179.57 1vdy h ARG 90 N 0.60 0.00 -0.03 0.06 3.08 -1.01 -2.17 114.38 114.91 1vdy h ARG 90 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1vdy h ARG 90 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 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 -2.91 2.10 0.00 7.04 3.02 -1.08 -4.77 115.26 118.65 1vdy n ASN 91 Ca -0.02 -2.07 0.03 0.00 -0.03 0.00 0.00 54.58 52.50 1vdy n ASN 91 Cb 0.11 -0.04 0.19 0.00 -0.61 0.00 0.00 39.78 39.42 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 -0.48 0.00 -0.00 6.41 2.88 -0.49 -3.14 113.62 118.79 1vdy n SER 92 Ca 0.02 -0.26 0.15 0.00 -1.33 0.00 0.00 58.87 57.45 1vdy n SER 92 Cb 0.29 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.36 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 0.83 -0.81 2.46 3.04 -1.86 0.28 116.25 120.19 1vdy h VAL 93 Ca 0.00 -0.06 0.01 0.00 -1.01 0.00 0.00 66.70 65.64 1vdy h VAL 93 Cb 0.00 0.65 -0.04 0.00 -2.01 0.00 0.00 31.29 29.89 1vdy h VAL 93 CO 0.00 0.03 0.53 0.00 -1.01 0.00 0.00 177.57 177.12 1vdy h ALA 94 N 1.75 1.03 0.12 3.17 0.00 -1.95 -0.57 119.26 122.80 1vdy h ALA 94 Ca 0.23 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1vdy h ALA 94 Cb 0.70 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1vdy h ALA 94 CO -0.03 0.45 -0.71 0.28 0.00 0.00 0.00 179.25 179.23 1vdy h VAL 95 N 1.10 1.54 -0.74 0.00 2.07 -1.37 -3.32 116.25 115.53 1vdy h VAL 95 Ca 0.30 -2.49 0.11 0.00 0.82 0.00 0.00 66.70 65.44 1vdy h VAL 95 Cb -0.12 3.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 1vdy h VAL 95 CO -0.06 0.70 0.49 0.03 0.02 0.00 0.00 177.57 178.75 1vdy h ARG 96 N -0.43 0.56 0.00 1.57 3.08 -0.85 -0.23 114.38 118.09 1vdy h ARG 96 Ca -0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1vdy h ARG 96 Cb 1.55 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.47 1vdy h ARG 96 CO 0.13 0.37 0.00 -2.95 -1.07 0.00 0.00 179.97 176.46 1vdy h ASN 97 N 0.58 0.00 1.33 7.04 7.08 -1.22 -3.19 115.58 127.20 1vdy h ASN 97 Ca 0.35 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.57 1vdy h ASN 97 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.81 1vdy h ASN 97 CO -0.12 0.00 0.00 -0.07 -2.08 0.00 0.00 177.43 175.16 1vdy h LEU 98 N 0.00 0.00 -1.72 6.14 3.38 -1.12 -3.13 115.31 118.86 1vdy h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vdy h LEU 98 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1vdy h LEU 98 CO 0.00 0.00 0.12 -0.26 0.09 0.00 0.00 178.44 178.39 1vdy h PHE 99 N 0.00 0.00 0.00 1.13 0.04 -1.66 0.01 116.94 116.46 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 0.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1vdy h PHE 99 CO 0.00 0.00 0.00 -2.39 -0.60 0.00 0.00 178.31 175.32 1vdy n HIS 100 N -2.48 0.00 -1.57 -0.55 1.44 -1.18 -5.03 115.22 105.85 1vdy n HIS 100 Ca -0.02 -0.36 -0.44 0.00 -2.01 0.00 0.00 57.72 54.89 1vdy n HIS 100 Cb 0.16 -0.04 -0.04 0.00 0.12 0.00 0.00 29.99 30.20 1vdy n HIS 100 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1vdy n TYR 101 N -0.36 1.87 -0.18 -1.40 9.36 -0.01 -4.77 117.16 121.67 1vdy n TYR 101 Ca 0.00 -0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1vdy n TYR 101 Cb 0.27 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.29 1vdy n TYR 101 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1vdy n LYS 102 N 8.66 0.71 0.00 2.98 2.85 -1.26 -4.92 118.16 127.18 1vdy n LYS 102 Ca 0.33 -0.83 0.00 0.00 -1.05 0.00 0.00 58.31 56.75 1vdy n LYS 102 Cb 0.41 -0.91 0.00 0.00 -0.65 0.00 0.00 35.03 33.88 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 -0.19 0.00 3.14 2.58 0.00 -1.26 -4.57 105.19 104.88 1vdy n GLY 103 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.54 0.07 1.61 -3.43 -1.26 -5.13 115.29 106.60 1vdy s HIS 104 Ca 0.00 1.15 -0.31 0.00 -0.80 0.00 0.00 55.06 55.10 1vdy s HIS 104 Cb 0.00 0.13 -0.08 0.00 -1.43 0.00 0.00 32.58 31.21 1vdy s HIS 104 CO 0.00 -0.36 1.52 -1.25 -2.00 0.00 0.00 174.74 172.65 1vdy s PRO 105 N 2.04 4.24 0.29 -0.38 0.04 -1.26 -4.71 135.00 135.26 1vdy s PRO 105 Ca -0.04 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 1vdy s PRO 105 Cb -0.11 -3.47 -0.11 0.00 0.04 0.00 0.00 34.50 30.85 1vdy s PRO 105 CO -0.11 -0.62 1.53 -0.51 0.04 0.00 0.00 177.00 177.34 1vdy s ASP 106 N 1.86 6.47 0.40 6.66 1.01 -1.26 -4.62 116.67 127.18 1vdy s ASP 106 Ca 0.69 2.86 0.15 0.00 0.71 0.00 0.00 52.55 56.96 1vdy s ASP 106 Cb -0.37 -2.63 0.84 0.00 1.01 0.00 0.00 42.92 41.76 1vdy s ASP 106 CO 0.30 -0.84 1.88 1.55 0.21 0.00 0.00 175.17 178.27 1vdy h PRO 107 N 4.73 0.00 0.15 8.23 0.13 -1.99 0.51 132.00 143.76 1vdy h PRO 107 Ca -0.47 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 1vdy h PRO 107 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1vdy h PRO 107 CO 0.77 0.31 -1.77 -0.07 -0.23 0.00 0.00 178.00 177.02 1vdy h LEU 108 N 0.00 0.50 0.00 1.56 4.07 -2.04 -3.42 115.31 115.99 1vdy h LEU 108 Ca -0.00 -0.82 0.00 0.00 0.08 0.00 0.00 57.88 57.13 1vdy h LEU 108 Cb 0.58 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1vdy h LEU 108 CO 0.04 1.71 -0.42 0.29 -1.08 0.00 0.00 178.44 178.97 1vdy n LYS 109 N -3.52 0.33 0.00 1.13 4.76 -1.22 -5.08 118.16 114.56 1vdy n LYS 109 Ca -0.24 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1vdy n LYS 109 Cb 1.06 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 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 1.62 0.76 3.23 0.72 0.00 0.17 -4.68 105.19 107.00 1vdy n GLY 110 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -3.11 -0.26 1.61 5.68 -1.25 -4.81 116.55 114.41 1vdy n ASP 111 Ca 0.00 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.34 1vdy n ASP 111 Cb 0.00 -2.74 0.18 0.00 -1.14 0.00 0.00 41.12 37.43 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vdy h ALA 112 N 0.00 1.05 -0.42 2.12 0.00 -1.91 0.14 119.26 120.25 1vdy h ALA 112 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1vdy h ALA 112 Cb 0.52 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1vdy h ALA 112 CO 0.00 -0.21 -0.19 -0.07 0.00 0.00 0.00 179.25 178.78 1vdy h LEU 113 N 0.44 0.81 -0.41 0.00 4.07 -1.97 -3.13 115.31 115.12 1vdy h LEU 113 Ca 0.41 -0.28 -0.16 0.00 0.08 0.00 0.00 57.88 57.93 1vdy h LEU 113 Cb 0.62 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1vdy h LEU 113 CO -0.40 0.99 -0.39 0.78 -1.08 0.00 0.00 178.44 178.33 1vdy h ASN 114 N 0.71 0.98 -0.32 -0.43 2.35 -1.32 -3.30 115.58 114.24 1vdy h ASN 114 Ca 0.10 -0.45 0.07 0.00 -0.55 0.00 0.00 56.30 55.47 1vdy h ASN 114 Cb 0.70 -0.28 -0.08 0.00 0.05 0.00 0.00 38.32 38.72 1vdy h ASN 114 CO 0.05 1.25 -0.22 0.50 -1.65 0.00 0.00 177.43 177.36 1vdy h LYS 115 N 0.74 -0.18 -0.91 0.81 3.11 -0.76 -2.35 116.57 117.03 1vdy h LYS 115 Ca 0.06 0.01 0.18 0.00 -2.81 0.00 0.00 60.65 58.09 1vdy h LYS 115 Cb 0.99 0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 32.19 1vdy h LYS 115 CO 0.10 -0.12 0.59 0.00 -2.81 0.00 0.00 179.45 177.20 1vdy h ALA 116 N 0.95 2.02 0.28 5.00 0.00 -1.64 -2.76 119.26 123.11 1vdy h ALA 116 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1vdy h ALA 116 Cb 0.44 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1vdy h ALA 116 CO -0.43 -0.30 -0.52 0.28 0.00 0.00 0.00 179.25 178.28 1vdy h VAL 117 N 0.54 0.00 0.00 0.00 2.07 -1.56 -1.20 116.25 116.10 1vdy h VAL 117 Ca 0.47 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.89 1vdy h VAL 117 Cb 0.99 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1vdy h VAL 117 CO -0.21 0.00 -0.49 0.08 0.02 0.00 0.00 177.57 176.97 1vdy h ARG 118 N -0.86 0.00 -0.52 1.57 -0.00 -1.62 -0.69 114.38 112.26 1vdy h ARG 118 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.93 1vdy h ARG 118 Cb 0.81 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.76 1vdy h ARG 118 CO -0.19 0.49 0.25 0.93 -0.00 0.00 0.00 179.97 181.44 1vdy h GLU 119 N 0.00 0.74 -0.16 0.08 5.08 -1.23 -0.99 114.58 118.10 1vdy h GLU 119 Ca -0.00 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1vdy h GLU 119 Cb 0.90 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1vdy h GLU 119 CO 0.06 0.61 -0.30 1.15 -1.00 0.00 0.00 179.01 179.54 1vdy h THR 120 N 0.69 1.26 -0.52 1.13 2.02 -1.01 -3.00 112.91 113.48 1vdy h THR 120 Ca 0.18 -1.26 0.04 0.00 0.77 0.00 0.00 66.41 66.13 1vdy h THR 120 Cb 0.11 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1vdy h THR 120 CO -0.02 0.39 0.35 0.00 0.37 0.00 0.00 175.52 176.60 1vdy h ALA 121 N 1.43 1.77 0.71 6.16 0.00 0.26 -1.66 119.26 127.92 1vdy h ALA 121 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1vdy h ALA 121 Cb 0.66 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1vdy h ALA 121 CO 0.05 0.17 -0.34 0.45 0.00 0.00 0.00 179.25 179.58 1vdy h HIS 122 N 0.57 -0.88 -0.30 0.00 -0.00 -1.34 -1.76 115.15 111.45 1vdy h HIS 122 Ca 0.21 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1vdy h HIS 122 Cb 0.13 0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 1vdy h HIS 122 CO -0.00 -0.53 0.16 0.93 -0.00 0.00 0.00 177.93 178.49 1vdy h GLU 123 N -1.01 0.40 0.15 2.45 5.08 -1.61 -0.73 114.58 119.30 1vdy h GLU 123 Ca -0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1vdy h GLU 123 Cb 0.74 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1vdy h GLU 123 CO 0.16 0.30 -0.07 1.15 -1.00 0.00 0.00 179.01 179.55 1vdy h THR 124 N 0.41 0.94 -0.70 1.13 2.02 -1.10 -2.04 112.91 113.57 1vdy h THR 124 Ca 0.11 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1vdy h THR 124 Cb 0.02 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1vdy h THR 124 CO -0.02 0.09 0.46 0.40 0.37 0.00 0.00 175.52 176.82 1vdy h ILE 125 N -0.38 1.18 -0.90 3.11 1.08 -0.82 -1.72 117.51 119.06 1vdy h ILE 125 Ca -0.02 -0.33 0.18 0.00 -0.39 0.00 0.00 64.86 64.30 1vdy h ILE 125 Cb 0.30 0.16 -0.11 0.00 -3.07 0.00 0.00 36.82 34.10 1vdy h ILE 125 CO 0.03 0.17 0.47 -1.28 -0.69 0.00 0.00 178.15 176.85 1vdy h SER 126 N 0.94 0.53 0.29 1.72 0.87 -0.93 0.66 113.55 117.64 1vdy h SER 126 Ca 0.25 0.11 -0.29 0.00 -1.23 0.00 0.00 61.79 60.64 1vdy h SER 126 Cb -0.11 0.03 0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1vdy h SER 126 CO -0.05 0.16 -1.23 0.00 -0.53 0.00 0.00 176.83 175.18 1vdy h ALA 127 N 1.63 0.05 -0.40 6.23 0.00 -0.83 -2.77 119.26 123.17 1vdy h ALA 127 Ca 0.52 -0.80 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1vdy h ALA 127 Cb 0.84 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1vdy h ALA 127 CO -0.42 0.77 -0.36 0.82 0.00 0.00 0.00 179.25 180.06 1vdy h ILE 128 N 0.21 1.27 -0.98 0.00 2.04 -0.63 -3.24 117.51 116.18 1vdy h ILE 128 Ca -0.17 -1.54 -0.56 0.00 1.00 0.00 0.00 64.86 63.59 1vdy h ILE 128 Cb 1.91 1.34 -0.30 0.00 -0.74 0.00 0.00 36.82 39.04 1vdy h ILE 128 CO 0.23 0.52 0.69 0.49 0.00 0.00 0.00 178.15 180.07 1vdy n PHE 129 N -4.06 3.06 -1.12 1.37 3.72 0.16 -4.72 117.46 115.87 1vdy n PHE 129 Ca -0.02 -2.21 -0.19 0.00 -0.05 0.00 0.00 57.45 54.98 1vdy n PHE 129 Cb 0.54 -1.09 -0.13 0.00 -0.94 0.00 0.00 39.48 37.86 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vdy n SER 130 N -1.07 6.10 -4.55 4.37 2.88 -1.04 -4.86 113.62 115.44 1vdy n SER 130 Ca 0.60 -2.57 -0.41 0.00 -1.33 0.00 0.00 58.87 55.16 1vdy n SER 130 Cb 1.34 -1.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.34 1vdy n SER 130 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1vdy s GLU 131 N 0.97 3.25 0.32 -1.46 -1.05 -1.26 -4.87 118.70 114.59 1vdy s GLU 131 Ca 0.67 -0.39 0.26 0.00 -0.15 0.00 0.00 54.97 55.35 1vdy s GLU 131 Cb 0.29 -4.35 1.08 0.00 -0.44 0.00 0.00 34.13 30.72 1vdy s GLU 131 CO -0.03 -2.15 1.77 1.05 0.95 0.00 0.00 175.26 176.85 1vdy h GLU 132 N 9.98 0.00 -3.27 -4.83 4.11 -2.01 -3.44 114.58 115.11 1vdy h GLU 132 Ca -0.21 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.14 1vdy h GLU 132 Cb 1.04 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.14 1vdy h GLU 132 CO 1.30 0.00 -0.18 -0.80 0.07 0.00 0.00 179.01 179.40 1vdy s ASN 133 N -4.50 -0.18 -0.30 3.06 0.01 -1.26 -5.16 114.94 106.61 1vdy s ASN 133 Ca 0.03 -0.19 -0.18 0.00 -0.71 0.00 0.00 52.86 51.81 1vdy s ASN 133 Cb 0.09 0.40 0.18 0.00 0.41 0.00 0.00 41.25 42.33 1vdy s ASN 133 CO 0.41 -0.68 1.24 -0.83 -1.51 0.00 0.00 177.10 175.72 1vdy s GLY 134 N -2.24 0.02 0.00 0.66 0.00 -1.26 -5.11 107.32 99.39 1vdy s GLY 134 Ca -0.03 3.29 0.00 0.00 0.00 0.00 0.00 44.72 47.98 1vdy s GLY 134 CO -0.05 3.78 0.28 1.44 0.00 0.00 0.00 173.10 178.56 1vdy n SER 135 N 5.20 0.00 0.00 1.64 7.64 -1.26 -5.02 113.62 121.82 1vdy n SER 135 Ca -0.08 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1vdy n SER 135 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1vdy n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vdy n GLY 136 N 0.77 -1.41 0.14 0.23 0.00 -1.26 -5.03 105.19 98.63 1vdy n GLY 136 Ca 0.00 0.87 0.13 0.00 0.00 0.00 0.00 46.02 47.02 1vdy n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vdy h PRO 137 N 0.00 0.00 -0.30 1.61 0.13 -2.05 -3.47 132.00 127.93 1vdy h PRO 137 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1vdy h PRO 137 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1vdy h PRO 137 CO 0.00 0.00 -0.12 0.45 -0.23 0.00 0.00 178.00 178.10 1vdy n SER 138 N -2.33 -5.14 -4.74 1.44 2.88 -1.26 -4.99 113.62 99.48 1vdy n SER 138 Ca 0.03 0.16 -0.32 0.00 -1.33 0.00 0.00 58.87 57.41 1vdy n SER 138 Cb 0.29 -3.19 0.10 0.00 -0.75 0.00 0.00 64.21 60.66 1vdy n SER 138 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1vdy s SER 139 N -2.33 4.25 0.00 -3.46 1.04 -1.26 -5.35 113.70 106.59 1vdy s SER 139 Ca 0.00 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.44 1vdy s SER 139 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1vdy s SER 139 CO 0.00 -2.21 0.00 0.61 0.98 0.00 0.00 173.24 172.62