#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy s SER 2 N 0.00 4.53 0.03 1.61 0.01 -1.26 -5.12 113.70 113.50 1vdy s SER 2 Ca 0.00 -0.14 -0.18 0.00 1.31 0.00 0.00 55.95 56.94 1vdy s SER 2 Cb 0.00 -1.49 0.03 0.00 0.21 0.00 0.00 66.02 64.77 1vdy s SER 2 CO 0.00 0.24 0.40 -0.55 0.41 0.00 0.00 173.24 173.74 1vdy s SER 3 N -0.09 -0.27 0.00 2.44 0.15 -1.26 -5.07 113.70 109.60 1vdy s SER 3 Ca 0.01 0.04 0.17 0.00 0.70 0.00 0.00 55.95 56.87 1vdy s SER 3 Cb -0.13 0.40 -0.06 0.00 -1.71 0.00 0.00 66.02 64.52 1vdy s SER 3 CO 0.03 -0.61 0.84 0.61 1.20 0.00 0.00 173.24 175.31 1vdy n GLY 4 N 0.68 -0.19 3.15 9.45 0.00 -1.26 -4.92 105.19 112.10 1vdy n GLY 4 Ca -0.19 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.40 1vdy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vdy s SER 5 N -2.18 -0.10 0.00 1.61 0.01 -1.26 -5.08 113.70 106.70 1vdy s SER 5 Ca 0.12 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1vdy s SER 5 Cb 0.14 1.07 0.00 0.00 0.21 0.00 0.00 66.02 67.44 1vdy s SER 5 CO 0.51 -0.02 0.15 -0.24 0.41 0.00 0.00 173.24 174.06 1vdy n SER 6 N 5.20 0.00 0.00 2.44 2.88 -1.26 -5.10 113.62 117.79 1vdy n SER 6 Ca 0.03 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1vdy n SER 6 Cb 0.57 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1vdy n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vdy n GLY 7 N 1.62 0.44 2.96 0.46 0.00 -1.26 -5.05 105.19 104.36 1vdy n GLY 7 Ca 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.97 -0.17 1.61 4.71 -1.26 -4.86 120.64 118.69 1vdy n GLU 8 Ca 0.00 0.52 0.18 0.00 -0.01 0.00 0.00 57.16 57.85 1vdy n GLU 8 Cb 0.00 -4.97 0.55 0.00 -1.01 0.00 0.00 31.44 26.01 1vdy n GLU 8 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1vdy h SER 9 N 0.00 0.32 -0.57 1.62 4.64 -2.01 -2.81 113.55 114.73 1vdy h SER 9 Ca -0.02 0.02 0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1vdy h SER 9 Cb 0.99 -0.04 -0.11 0.00 -0.31 0.00 0.00 62.40 62.93 1vdy h SER 9 CO 0.03 0.15 -0.23 0.22 -0.87 0.00 0.00 176.83 176.12 1vdy h TYR 10 N 0.33 -0.59 -0.00 4.77 3.20 -1.98 0.05 116.97 122.74 1vdy h TYR 10 Ca 0.39 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.33 1vdy h TYR 10 Cb 1.05 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1vdy h TYR 10 CO -0.00 -0.32 -0.07 2.35 -1.64 0.00 0.00 178.16 178.48 1vdy h TRP 11 N -0.09 -0.20 0.00 -3.82 -0.00 -1.92 0.68 115.95 110.60 1vdy h TRP 11 Ca 0.26 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.16 1vdy h TRP 11 Cb 0.50 0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 29.74 1vdy h TRP 11 CO -0.55 -0.07 -0.03 0.00 -0.00 0.00 0.00 178.44 177.80 1vdy h ARG 12 N -0.08 -0.05 -0.21 2.65 3.08 -1.70 -3.03 114.38 115.03 1vdy h ARG 12 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1vdy h ARG 12 Cb 0.09 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 1vdy h ARG 12 CO -0.05 -0.03 -0.22 1.03 -1.07 0.00 0.00 179.97 179.63 1vdy h SER 13 N -0.05 -0.71 -0.99 7.04 0.87 -0.93 -2.41 113.55 116.37 1vdy h SER 13 Ca 0.01 0.13 0.25 0.00 -1.23 0.00 0.00 61.79 60.94 1vdy h SER 13 Cb 0.06 0.33 -0.08 0.00 -0.44 0.00 0.00 62.40 62.27 1vdy h SER 13 CO -0.03 -0.26 0.65 0.03 -0.53 0.00 0.00 176.83 176.69 1vdy h ARG 14 N -0.24 0.36 0.37 2.24 2.47 -0.73 0.17 114.38 119.01 1vdy h ARG 14 Ca 0.13 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 1vdy h ARG 14 Cb 0.43 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1vdy h ARG 14 CO -0.35 0.24 -0.18 0.52 0.56 0.00 0.00 179.97 180.76 1vdy h MET 15 N 0.37 -0.48 -0.04 0.04 2.86 -1.44 -1.40 114.93 114.84 1vdy h MET 15 Ca 0.54 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 58.21 1vdy h MET 15 Cb 1.42 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.19 1vdy h MET 15 CO -0.22 -0.26 0.02 0.82 1.06 0.00 0.00 176.91 178.32 1vdy h ILE 16 N -0.59 1.13 -0.59 -1.22 1.08 -1.32 -2.71 117.51 113.29 1vdy h ILE 16 Ca -0.05 -0.37 0.17 0.00 -0.39 0.00 0.00 64.86 64.22 1vdy h ILE 16 Cb 0.44 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 1vdy h ILE 16 CO 0.08 0.10 0.54 -0.78 -0.69 0.00 0.00 178.15 177.41 1vdy h ASP 17 N -0.08 0.00 0.00 1.72 1.82 -0.63 0.96 116.42 120.21 1vdy h ASP 17 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1vdy h ASP 17 Cb 0.15 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.16 1vdy h ASP 17 CO -0.00 0.00 -0.11 0.00 -1.61 0.00 0.00 179.24 177.51 1vdy h ALA 18 N 1.46 0.02 0.00 -0.78 0.00 -0.95 -3.00 119.26 116.01 1vdy h ALA 18 Ca 0.28 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1vdy h ALA 18 Cb 1.36 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1vdy h ALA 18 CO -0.00 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.65 1vdy n VAL 19 N -4.67 0.79 -1.12 0.00 0.24 -0.68 -2.27 118.33 110.63 1vdy n VAL 19 Ca -0.07 0.20 0.07 0.00 -2.04 0.00 0.00 64.34 62.50 1vdy n VAL 19 Cb 0.28 -0.91 0.21 0.00 -1.47 0.00 0.00 33.84 31.95 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 -1.46 2.18 -1.55 3.34 -2.24 0.25 -4.70 114.28 110.10 1vdy n THR 20 Ca 0.05 -2.21 -0.49 0.00 -2.27 0.00 0.00 64.05 59.12 1vdy n THR 20 Cb 0.19 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.96 0.87 0.25 3.42 3.41 -0.96 -4.76 113.62 114.89 1vdy n SER 21 Ca 0.21 1.15 0.09 0.00 -0.26 0.00 0.00 58.87 60.06 1vdy n SER 21 Cb 0.81 -1.16 0.64 0.00 -0.26 0.00 0.00 64.21 64.24 1vdy n SER 21 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1vdy h ASP 22 N 2.89 0.00 -4.09 4.04 3.58 -1.92 -3.43 116.42 117.49 1vdy h ASP 22 Ca -0.42 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.49 1vdy h ASP 22 Cb 1.36 0.00 0.13 0.00 1.72 0.00 0.00 39.33 42.54 1vdy h ASP 22 CO 0.67 0.13 0.51 -1.83 -2.88 0.00 0.00 179.24 175.84 1vdy s GLU 23 N -4.49 2.91 0.53 0.28 -1.05 -1.26 -4.73 118.70 110.89 1vdy s GLU 23 Ca -0.04 1.97 0.26 0.00 -0.15 0.00 0.00 54.97 57.02 1vdy s GLU 23 Cb 0.15 -1.98 1.48 0.00 -0.44 0.00 0.00 34.13 33.33 1vdy s GLU 23 CO 0.64 -1.30 2.11 0.38 0.95 0.00 0.00 175.26 178.04 1vdy h ASP 24 N 0.94 0.00 0.00 0.83 3.04 -1.99 -3.44 116.42 115.79 1vdy h ASP 24 Ca -0.51 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 52.88 1vdy h ASP 24 Cb 1.31 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.56 1vdy h ASP 24 CO 0.55 0.10 0.94 1.17 -2.04 0.00 0.00 179.24 179.96 1vdy n LYS 25 N -3.81 0.00 -1.71 4.15 0.00 -1.26 -4.80 118.16 110.74 1vdy n LYS 25 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.86 1vdy n LYS 25 Cb 0.20 -0.93 -0.01 0.00 0.00 0.00 0.00 35.03 34.28 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 4.31 1.46 -2.13 3.15 3.14 -1.26 -4.90 118.33 122.10 1vdy n VAL 26 Ca 0.37 -0.36 -0.42 0.00 -2.96 0.00 0.00 64.34 60.97 1vdy n VAL 26 Cb -0.01 -1.67 -0.03 0.00 -1.06 0.00 0.00 33.84 31.08 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 -0.54 3.62 0.65 1.55 0.00 -1.26 -5.02 121.76 120.76 1vdy s ALA 27 Ca 0.61 1.16 -0.10 0.00 0.00 0.00 0.00 51.96 53.63 1vdy s ALA 27 Cb -0.57 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.00 1vdy s ALA 27 CO 0.56 -0.63 1.03 -1.25 0.00 0.00 0.00 175.76 175.46 1vdy s PRO 28 N 1.00 3.17 0.17 0.00 0.04 -1.26 -4.96 135.00 133.15 1vdy s PRO 28 Ca 0.65 0.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.04 1vdy s PRO 28 Cb -0.38 -2.09 0.11 0.00 0.04 0.00 0.00 34.50 32.18 1vdy s PRO 28 CO 0.31 -0.78 1.78 0.28 0.04 0.00 0.00 177.00 178.63 1vdy h VAL 29 N -0.43 0.95 -0.31 -0.36 2.07 -2.00 -2.06 116.25 114.11 1vdy h VAL 29 Ca -0.45 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.01 1vdy h VAL 29 Cb 1.23 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1vdy h VAL 29 CO 0.63 0.08 0.25 0.10 0.02 0.00 0.00 177.57 178.65 1vdy h TYR 30 N 0.44 0.00 0.00 1.57 -0.00 -1.98 -0.15 116.97 116.84 1vdy h TYR 30 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.71 1vdy h TYR 30 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.82 1vdy h TYR 30 CO -0.11 0.00 -1.14 0.87 -0.00 0.00 0.00 178.16 177.78 1vdy h LYS 31 N 0.00 0.00 -0.04 0.10 1.57 -1.76 -2.60 116.57 113.84 1vdy h LYS 31 Ca 0.15 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1vdy h LYS 31 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1vdy h LYS 31 CO -0.00 0.81 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.40 1vdy h LEU 32 N 0.00 0.25 -0.98 2.94 3.38 -1.01 -3.31 115.31 116.58 1vdy h LEU 32 Ca -0.08 -0.67 -0.07 0.00 0.09 0.00 0.00 57.88 57.15 1vdy h LEU 32 Cb 1.79 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 1vdy h LEU 32 CO 0.11 0.88 0.03 -0.33 0.09 0.00 0.00 178.44 179.22 1vdy h GLU 33 N -0.36 0.77 -0.42 1.13 4.39 -1.19 -2.93 114.58 115.96 1vdy h GLU 33 Ca -0.02 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 1vdy h GLU 33 Cb 0.88 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1vdy h GLU 33 CO 0.04 0.76 0.18 1.05 -1.16 0.00 0.00 179.01 179.88 1vdy h GLU 34 N 0.73 0.59 0.11 2.33 4.11 -1.57 -0.22 114.58 120.66 1vdy h GLU 34 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 1vdy h GLU 34 Cb 0.40 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1vdy h GLU 34 CO 0.01 0.48 -0.06 0.82 0.07 0.00 0.00 179.01 180.34 1vdy h ILE 35 N 0.59 0.99 -0.43 -1.06 2.04 -1.61 -1.28 117.51 116.75 1vdy h ILE 35 Ca 0.15 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1vdy h ILE 35 Cb 0.10 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1vdy h ILE 35 CO -0.02 0.09 0.05 0.00 0.00 0.00 0.00 178.15 178.28 1vdy h ASP 37 N 0.65 1.11 0.43 0.00 3.58 -0.89 -2.19 116.42 119.10 1vdy h ASP 37 Ca 0.14 -0.09 -0.31 0.00 0.42 0.00 0.00 57.03 57.19 1vdy h ASP 37 Cb 0.33 -0.28 0.02 0.00 1.72 0.00 0.00 39.33 41.12 1vdy h ASP 37 CO 0.01 0.88 -1.42 -0.07 -2.88 0.00 0.00 179.24 175.75 1vdy h LEU 38 N 1.26 0.60 0.06 2.28 3.38 -0.86 -3.22 115.31 118.81 1vdy h LEU 38 Ca 0.32 -0.68 0.02 0.00 0.09 0.00 0.00 57.88 57.63 1vdy h LEU 38 Cb -0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1vdy h LEU 38 CO -0.05 1.54 -0.23 -0.07 0.09 0.00 0.00 178.44 179.72 1vdy h LEU 39 N 0.10 -0.66 -1.06 1.67 3.38 -0.59 -1.52 115.31 116.64 1vdy h LEU 39 Ca -0.22 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1vdy h LEU 39 Cb 2.07 0.26 0.00 0.00 0.09 0.00 0.00 40.66 43.08 1vdy h LEU 39 CO 0.22 -0.31 0.00 0.08 0.09 0.00 0.00 178.44 178.53 1vdy h ARG 40 N -0.39 0.00 -0.51 1.13 0.11 -1.53 -2.06 114.38 111.13 1vdy h ARG 40 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 1vdy h ARG 40 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1vdy h ARG 40 CO -0.17 0.00 0.00 0.45 0.10 0.00 0.00 179.97 180.35 1vdy n SER 41 N -2.34 5.06 -4.05 0.08 2.88 -0.61 -4.98 113.62 109.65 1vdy n SER 41 Ca 0.01 -2.85 -0.07 0.00 -1.33 0.00 0.00 58.87 54.63 1vdy n SER 41 Cb 0.17 -0.62 -0.10 0.00 -0.75 0.00 0.00 64.21 62.91 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 -1.10 0.42 0.78 -3.46 0.01 -0.77 -5.00 113.70 104.58 1vdy s SER 42 Ca 0.50 -0.92 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1vdy s SER 42 Cb 0.38 0.22 0.07 0.00 0.21 0.00 0.00 66.02 66.89 1vdy s SER 42 CO 0.16 -0.60 1.17 -2.28 0.41 0.00 0.00 173.24 172.09 1vdy s HIS 43 N -3.79 2.03 0.52 2.43 2.46 -1.26 -4.83 115.29 112.85 1vdy s HIS 43 Ca 0.06 1.65 0.23 0.00 0.47 0.00 0.00 55.06 57.46 1vdy s HIS 43 Cb 0.07 -3.37 1.34 0.00 -0.13 0.00 0.00 32.58 30.49 1vdy s HIS 43 CO -0.10 -2.50 2.01 -0.24 -2.47 0.00 0.00 174.74 171.44 1vdy h VAL 44 N -0.80 0.79 -0.68 0.89 3.04 -2.00 -0.62 116.25 116.86 1vdy h VAL 44 Ca -0.46 -0.01 -0.05 0.00 -1.01 0.00 0.00 66.70 65.17 1vdy h VAL 44 Cb 1.28 0.74 -0.03 0.00 -2.01 0.00 0.00 31.29 31.26 1vdy h VAL 44 CO 0.48 0.01 0.24 -1.28 -1.01 0.00 0.00 177.57 176.00 1vdy h SER 45 N 0.04 0.95 -0.45 3.17 0.87 -1.99 -0.97 113.55 115.17 1vdy h SER 45 Ca 0.22 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1vdy h SER 45 Cb 0.83 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1vdy h SER 45 CO -0.01 0.87 0.17 0.40 -0.53 0.00 0.00 176.83 177.73 1vdy h ILE 46 N 1.00 1.21 -0.48 2.23 1.08 -1.46 0.62 117.51 121.71 1vdy h ILE 46 Ca 0.23 -0.67 0.05 0.00 -0.39 0.00 0.00 64.86 64.08 1vdy h ILE 46 Cb 0.25 0.81 -0.05 0.00 -3.07 0.00 0.00 36.82 34.75 1vdy h ILE 46 CO -0.01 0.24 0.20 0.58 -0.69 0.00 0.00 178.15 178.47 1vdy h VAL 47 N 0.59 0.89 -0.20 1.67 2.07 -1.26 0.15 116.25 120.14 1vdy h VAL 47 Ca 0.15 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1vdy h VAL 47 Cb 0.22 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1vdy h VAL 47 CO -0.01 0.07 0.09 0.11 0.02 0.00 0.00 177.57 177.85 1vdy h LYS 48 N 0.39 0.30 -0.69 1.57 1.57 -0.76 -1.20 116.57 117.75 1vdy h LYS 48 Ca 0.22 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1vdy h LYS 48 Cb 0.19 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1vdy h LYS 48 CO -0.20 0.36 0.43 0.93 -0.57 0.00 0.00 179.45 180.40 1vdy h GLU 49 N 0.18 0.82 -0.06 3.15 4.39 -0.27 -0.33 114.58 122.47 1vdy h GLU 49 Ca 0.07 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1vdy h GLU 49 Cb 0.16 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1vdy h GLU 49 CO -0.01 0.54 -0.10 0.74 -1.16 0.00 0.00 179.01 179.02 1vdy h PHE 50 N 0.84 -0.25 -0.20 4.33 0.04 -0.49 -0.55 116.94 120.65 1vdy h PHE 50 Ca 0.28 0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.12 1vdy h PHE 50 Cb 0.03 0.12 -0.07 0.00 2.20 0.00 0.00 35.95 38.23 1vdy h PHE 50 CO -0.04 -0.15 -0.25 0.77 -0.60 0.00 0.00 178.31 178.04 1vdy h SER 51 N -0.14 -0.78 -0.41 2.17 0.02 -0.61 -1.27 113.55 112.53 1vdy h SER 51 Ca 0.06 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1vdy h SER 51 Cb 0.22 0.36 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 1vdy h SER 51 CO -0.14 -0.29 0.17 -0.33 -1.14 0.00 0.00 176.83 175.10 1vdy h GLU 52 N -0.27 0.33 -0.87 3.45 4.39 -0.55 -1.47 114.58 119.60 1vdy h GLU 52 Ca 0.12 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1vdy h GLU 52 Cb 0.46 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1vdy h GLU 52 CO -0.36 0.22 0.42 0.74 -1.16 0.00 0.00 179.01 178.87 1vdy h PHE 53 N 0.34 1.24 0.08 4.33 0.04 -0.64 -0.28 116.94 122.06 1vdy h PHE 53 Ca 0.19 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 1vdy h PHE 53 Cb 0.15 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 37.91 1vdy h PHE 53 CO -0.13 0.89 -0.04 0.82 -0.60 0.00 0.00 178.31 179.25 1vdy h ILE 54 N 1.23 1.00 -0.92 -0.55 2.04 -0.77 -2.98 117.51 116.56 1vdy h ILE 54 Ca 0.30 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1vdy h ILE 54 Cb 0.11 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1vdy h ILE 54 CO -0.04 0.07 0.61 -0.07 0.00 0.00 0.00 178.15 178.72 1vdy h LEU 55 N -0.22 1.05 -1.58 1.44 3.38 -1.07 -1.78 115.31 116.53 1vdy h LEU 55 Ca -0.01 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1vdy h LEU 55 Cb 0.19 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1vdy h LEU 55 CO 0.02 0.75 0.43 0.11 0.09 0.00 0.00 178.44 179.84 1vdy h LYS 56 N 1.23 0.46 0.00 1.13 1.79 -0.92 -0.57 116.57 119.69 1vdy h LYS 56 Ca 0.35 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1vdy h LYS 56 Cb -0.11 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.44 1vdy h LYS 56 CO -0.08 0.30 0.00 0.00 -1.08 0.00 0.00 179.45 178.59 1vdy h ARG 57 N 0.47 0.00 0.00 3.15 2.47 -1.18 -2.59 114.38 116.70 1vdy h ARG 57 Ca 0.30 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.00 1vdy h ARG 57 Cb 0.55 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1vdy h ARG 57 CO -0.09 0.00 -0.12 -0.07 0.56 0.00 0.00 179.97 180.25 1vdy h LEU 58 N 0.00 0.00 -0.10 3.04 4.07 -1.18 -3.17 115.31 117.96 1vdy h LEU 58 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1vdy h LEU 58 Cb 0.33 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.07 1vdy h LEU 58 CO 0.00 0.12 -0.07 -0.78 -1.08 0.00 0.00 178.44 176.63 1vdy h ASP 59 N 0.00 0.24 -0.36 -0.43 1.82 -1.60 -3.46 116.42 112.63 1vdy h ASP 59 Ca -0.00 -0.44 -0.30 0.00 -0.39 0.00 0.00 57.03 55.89 1vdy h ASP 59 Cb 0.72 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.68 1vdy h ASP 59 CO 0.02 0.63 0.17 -3.20 -1.61 0.00 0.00 179.24 175.24 1vdy n ASN 60 N -4.69 0.28 -0.29 2.28 2.85 -1.20 -4.83 115.26 109.65 1vdy n ASN 60 Ca -0.07 0.42 0.24 0.00 -0.11 0.00 0.00 54.58 55.07 1vdy n ASN 60 Cb 0.30 -0.32 0.56 0.00 1.24 0.00 0.00 39.78 41.55 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 1.53 0.31 -6.52 1.20 3.11 -1.91 -3.42 116.57 110.87 1vdy h LYS 61 Ca -0.17 -0.02 -0.53 0.00 -2.81 0.00 0.00 60.65 57.12 1vdy h LYS 61 Cb 0.50 -0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1vdy h LYS 61 CO 0.31 0.20 0.66 0.45 -2.81 0.00 0.00 179.45 178.26 1vdy s SER 62 N -5.36 6.93 0.24 4.20 0.15 -1.26 -4.94 113.70 113.66 1vdy s SER 62 Ca -0.08 2.19 -0.03 0.00 0.70 0.00 0.00 55.95 58.74 1vdy s SER 62 Cb 0.24 -2.58 0.27 0.00 -1.71 0.00 0.00 66.02 62.24 1vdy s SER 62 CO 0.79 -0.58 1.70 1.55 1.20 0.00 0.00 173.24 177.91 1vdy h PRO 63 N 6.82 0.78 0.20 5.44 0.13 -1.92 -3.04 132.00 140.41 1vdy h PRO 63 Ca -0.42 -0.26 0.01 0.00 -0.87 0.00 0.00 66.00 64.47 1vdy h PRO 63 Cb 1.21 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1vdy h PRO 63 CO 0.84 0.85 -0.33 0.82 -0.23 0.00 0.00 178.00 179.96 1vdy h ILE 64 N 0.71 0.31 -0.63 -3.56 2.04 -1.90 -2.62 117.51 111.86 1vdy h ILE 64 Ca 0.12 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.11 1vdy h ILE 64 Cb 0.58 0.31 -0.11 0.00 -0.74 0.00 0.00 36.82 36.86 1vdy h ILE 64 CO 0.04 0.00 -0.00 0.58 0.00 0.00 0.00 178.15 178.76 1vdy h VAL 65 N -0.60 0.48 0.27 1.67 2.07 -1.81 -2.37 116.25 115.96 1vdy h VAL 65 Ca 0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1vdy h VAL 65 Cb 0.60 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1vdy h VAL 65 CO -0.14 0.02 -0.51 0.11 0.02 0.00 0.00 177.57 177.07 1vdy h LYS 66 N 0.11 -0.82 -0.88 1.57 1.57 -1.37 -2.78 116.57 113.98 1vdy h LYS 66 Ca 0.33 0.06 0.21 0.00 -1.87 0.00 0.00 60.65 59.37 1vdy h LYS 66 Cb 0.53 0.19 -0.12 0.00 0.08 0.00 0.00 32.23 32.91 1vdy h LYS 66 CO -0.54 -0.54 0.39 0.37 -0.57 0.00 0.00 179.45 178.55 1vdy h GLN 67 N -0.85 0.41 -0.46 3.15 -0.00 -1.30 -2.00 115.11 114.08 1vdy h GLN 67 Ca -0.03 -0.02 0.09 0.00 -0.00 0.00 0.00 58.65 58.69 1vdy h GLN 67 Cb 0.80 -0.09 -0.08 0.00 0.00 0.00 0.00 27.48 28.11 1vdy h GLN 67 CO -0.20 0.27 -0.06 0.87 0.00 0.00 0.00 178.83 179.72 1vdy h LYS 68 N 0.43 0.05 -0.55 1.69 1.57 -1.23 -1.69 116.57 116.83 1vdy h LYS 68 Ca 0.54 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.33 1vdy h LYS 68 Cb 0.99 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 1vdy h LYS 68 CO -0.50 0.03 0.36 0.00 -0.57 0.00 0.00 179.45 178.77 1vdy h ALA 69 N 1.43 0.71 -0.54 3.86 0.00 -1.36 -2.68 119.26 120.67 1vdy h ALA 69 Ca 0.22 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.22 1vdy h ALA 69 Cb 0.34 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 1vdy h ALA 69 CO -0.42 0.11 -0.05 -0.07 0.00 0.00 0.00 179.25 178.81 1vdy h LEU 70 N 0.72 -0.34 -0.29 0.00 -0.00 -1.28 0.14 115.31 114.25 1vdy h LEU 70 Ca 0.21 0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 58.23 1vdy h LEU 70 Cb -0.05 0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1vdy h LEU 70 CO -0.06 -0.13 0.18 -0.09 -0.00 0.00 0.00 178.44 178.34 1vdy h ARG 71 N 0.07 0.39 0.17 1.13 1.12 -1.32 -2.48 114.38 113.47 1vdy h ARG 71 Ca 0.27 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.10 1vdy h ARG 71 Cb 0.43 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1vdy h ARG 71 CO -0.50 0.29 -0.08 1.25 -3.11 0.00 0.00 179.97 177.82 1vdy h LEU 72 N 0.38 -0.19 -0.85 3.80 7.12 -0.93 -1.80 115.31 122.84 1vdy h LEU 72 Ca 0.10 -0.17 0.13 0.00 0.13 0.00 0.00 57.88 58.08 1vdy h LEU 72 Cb -0.00 0.05 -0.14 0.00 -0.53 0.00 0.00 40.66 40.04 1vdy h LEU 72 CO -0.02 0.06 -0.40 0.40 -0.13 0.00 0.00 178.44 178.34 1vdy h ILE 73 N -0.44 0.05 -0.14 4.05 2.04 -0.65 0.28 117.51 122.70 1vdy h ILE 73 Ca -0.02 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 1vdy h ILE 73 Cb 0.34 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1vdy h ILE 73 CO 0.04 0.00 -0.56 0.07 0.00 0.00 0.00 178.15 177.70 1vdy h LYS 74 N -0.07 0.43 -0.19 2.37 2.10 -1.45 -0.86 116.57 118.89 1vdy h LYS 74 Ca 0.28 -0.27 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 1vdy h LYS 74 Cb 0.57 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.92 1vdy h LYS 74 CO -0.87 0.87 -0.48 -0.92 -2.00 0.00 0.00 179.45 176.05 1vdy h TYR 75 N 0.33 0.63 0.17 0.07 5.03 -0.10 -3.31 116.97 119.79 1vdy h TYR 75 Ca 0.00 -0.20 -0.31 0.00 2.58 0.00 0.00 58.73 60.80 1vdy h TYR 75 Cb 1.08 -0.13 0.01 0.00 1.55 0.00 0.00 36.73 39.24 1vdy h TYR 75 CO 0.04 0.90 -1.49 0.00 -1.32 0.00 0.00 178.16 176.28 1vdy h ALA 76 N 1.07 0.08 -2.91 1.82 0.00 -0.54 -3.45 119.26 115.33 1vdy h ALA 76 Ca 0.02 -1.03 -0.53 0.00 0.00 0.00 0.00 54.91 53.37 1vdy h ALA 76 Cb 1.00 0.38 0.09 0.00 0.00 0.00 0.00 17.79 19.26 1vdy h ALA 76 CO 0.09 0.83 0.73 0.54 0.00 0.00 0.00 179.25 181.44 1vdy s VAL 77 N -2.53 2.30 0.00 0.00 0.11 -0.33 -2.57 120.40 117.38 1vdy s VAL 77 Ca -0.16 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1vdy s VAL 77 Cb 0.04 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 1vdy s VAL 77 CO 0.84 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 173.29 1vdy n GLY 78 N 0.69 2.93 0.70 6.54 0.00 -1.26 -4.83 105.19 109.96 1vdy n GLY 78 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 0.20 -0.31 1.61 2.85 -1.06 -4.75 118.16 114.70 1vdy n LYS 79 Ca 0.00 0.08 0.10 0.00 -1.05 0.00 0.00 58.31 57.45 1vdy n LYS 79 Cb 0.00 -0.84 0.23 0.00 -0.65 0.00 0.00 35.03 33.77 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 -0.35 -0.42 -1.24 -5.58 0.02 -1.82 -3.47 113.55 100.69 1vdy h SER 80 Ca -0.15 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1vdy h SER 80 Cb 0.87 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1vdy h SER 80 CO -0.09 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 175.94 1vdy n GLY 81 N -1.47 0.81 0.22 -3.77 0.00 -1.26 -4.59 105.19 95.13 1vdy n GLY 81 Ca 0.19 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.90 1vdy n GLY 81 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vdy h SER 82 N 0.00 0.00 0.69 1.61 0.02 -1.94 -3.15 113.55 110.77 1vdy h SER 82 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1vdy h SER 82 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1vdy h SER 82 CO 0.00 0.08 -0.47 -0.33 -1.14 0.00 0.00 176.83 174.97 1vdy h GLU 83 N 0.00 -1.06 -0.57 3.45 3.07 -2.01 -0.97 114.58 116.49 1vdy h GLU 83 Ca -0.00 0.07 0.05 0.00 -0.50 0.00 0.00 59.36 58.98 1vdy h GLU 83 Cb 0.93 0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 1vdy h GLU 83 CO 0.01 -0.71 0.38 0.35 -1.40 0.00 0.00 179.01 177.64 1vdy h PHE 84 N -1.10 0.59 0.19 4.33 3.57 -1.92 -2.14 116.94 120.46 1vdy h PHE 84 Ca -0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1vdy h PHE 84 Cb 0.90 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1vdy h PHE 84 CO -0.13 0.33 -0.18 -0.09 -2.23 0.00 0.00 178.31 176.00 1vdy h ARG 85 N 0.60 -0.38 -0.33 1.11 2.43 -1.29 -1.07 114.38 115.45 1vdy h ARG 85 Ca 0.24 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.48 1vdy h ARG 85 Cb 0.19 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1vdy h ARG 85 CO -0.07 -0.26 0.07 0.00 -1.51 0.00 0.00 179.97 178.21 1vdy h ARG 86 N -0.40 0.18 -0.57 0.20 2.47 -0.54 -1.35 114.38 114.37 1vdy h ARG 86 Ca 0.00 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.76 1vdy h ARG 86 Cb 0.37 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.61 1vdy h ARG 86 CO -0.04 0.12 0.31 0.93 0.56 0.00 0.00 179.97 181.84 1vdy h GLU 87 N 0.19 0.57 -0.54 0.04 3.07 -1.39 -1.42 114.58 115.09 1vdy h GLU 87 Ca 0.16 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1vdy h GLU 87 Cb 0.17 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 1vdy h GLU 87 CO -0.20 0.38 0.21 0.52 -1.40 0.00 0.00 179.01 178.51 1vdy h MET 88 N 0.59 0.78 -0.12 2.33 2.86 -0.25 -1.57 114.93 119.56 1vdy h MET 88 Ca 0.25 -0.12 -0.22 0.00 -2.06 0.00 0.00 59.70 57.56 1vdy h MET 88 Cb 0.14 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.67 1vdy h MET 88 CO -0.16 0.65 -0.77 1.96 1.06 0.00 0.00 176.91 179.65 1vdy h GLN 89 N 0.77 0.73 -0.52 1.72 4.20 -0.66 -1.80 115.11 119.56 1vdy h GLN 89 Ca 0.18 -0.63 -0.04 0.00 0.06 0.00 0.00 58.65 58.22 1vdy h GLN 89 Cb 0.16 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1vdy h GLN 89 CO -0.02 1.23 0.15 -0.09 -0.67 0.00 0.00 178.83 179.44 1vdy h ARG 90 N 0.43 0.81 -0.37 1.46 2.43 -1.00 -2.90 114.38 115.24 1vdy h ARG 90 Ca -0.06 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1vdy h ARG 90 Cb 1.41 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1vdy h ARG 90 CO 0.16 0.76 0.00 0.09 -1.51 0.00 0.00 179.97 179.47 1vdy n ASN 91 N -4.47 2.80 0.05 -3.80 3.02 -0.62 -4.42 115.26 107.83 1vdy n ASN 91 Ca 0.02 -1.91 0.03 0.00 -0.03 0.00 0.00 54.58 52.68 1vdy n ASN 91 Cb 0.21 -0.24 0.17 0.00 -0.61 0.00 0.00 39.78 39.30 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 1.05 0.16 0.19 6.41 2.88 -0.68 -1.80 113.62 121.83 1vdy n SER 92 Ca 0.18 0.54 0.12 0.00 -1.33 0.00 0.00 58.87 58.38 1vdy n SER 92 Cb 0.49 -0.56 0.66 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.91 -0.77 2.46 3.04 -1.81 -0.27 116.25 119.81 1vdy h VAL 93 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1vdy h VAL 93 Cb 0.09 0.92 -0.04 0.00 -2.01 0.00 0.00 31.29 30.25 1vdy h VAL 93 CO 0.00 0.00 0.47 0.00 -1.01 0.00 0.00 177.57 177.03 1vdy h ALA 94 N 1.92 0.98 0.03 3.17 0.00 -1.74 -0.40 119.26 123.22 1vdy h ALA 94 Ca 0.07 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1vdy h ALA 94 Cb 0.30 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1vdy h ALA 94 CO -0.00 0.44 -1.01 0.28 0.00 0.00 0.00 179.25 178.96 1vdy h VAL 95 N 1.05 1.30 -0.89 0.00 2.07 -1.34 -3.10 116.25 115.35 1vdy h VAL 95 Ca 0.28 -2.26 0.04 0.00 0.82 0.00 0.00 66.70 65.57 1vdy h VAL 95 Cb -0.05 2.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 1vdy h VAL 95 CO -0.05 0.69 0.57 0.03 0.02 0.00 0.00 177.57 178.83 1vdy h ARG 96 N 0.29 1.07 0.00 1.57 3.08 -0.81 -0.95 114.38 118.62 1vdy h ARG 96 Ca -0.13 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1vdy h ARG 96 Cb 1.68 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1vdy h ARG 96 CO 0.20 0.71 0.00 -2.95 -1.07 0.00 0.00 179.97 176.86 1vdy h ASN 97 N 1.10 0.00 1.10 7.04 7.08 -1.14 -2.69 115.58 128.07 1vdy h ASN 97 Ca 0.36 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.58 1vdy h ASN 97 Cb 0.02 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.26 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 -1.73 6.14 3.38 -1.09 -3.19 115.31 118.82 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 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1vdy h LEU 98 CO 0.00 0.00 0.18 -0.26 0.09 0.00 0.00 178.44 178.45 1vdy h PHE 99 N 0.00 0.00 0.00 1.13 0.04 -1.46 -0.76 116.94 115.89 1vdy h PHE 99 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1vdy h PHE 99 Cb 0.55 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.50 1vdy h PHE 99 CO 0.00 0.00 -0.74 -2.39 -0.60 0.00 0.00 178.31 174.58 1vdy n HIS 100 N -2.54 0.00 -2.15 -0.55 1.44 -1.20 -5.03 115.22 105.20 1vdy n HIS 100 Ca -0.02 -0.67 -0.30 0.00 -2.01 0.00 0.00 57.72 54.73 1vdy n HIS 100 Cb 0.22 -0.15 -0.05 0.00 0.12 0.00 0.00 29.99 30.13 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 -0.94 1.96 0.00 -1.40 5.04 -0.29 -4.69 117.35 117.03 1vdy s TYR 101 Ca 0.29 0.32 0.11 0.00 -2.44 0.00 0.00 57.07 55.35 1vdy s TYR 101 Cb 0.31 -4.16 -0.21 0.00 0.35 0.00 0.00 41.96 38.24 1vdy s TYR 101 CO -0.10 -1.72 0.88 1.57 -1.34 0.00 0.00 175.55 174.83 1vdy h LYS 102 N 10.80 0.00 0.00 4.97 5.09 -1.94 -3.46 116.57 132.03 1vdy h LYS 102 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.87 1vdy h LYS 102 Cb 1.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.33 1vdy h LYS 102 CO 1.25 0.64 0.00 0.41 -2.09 0.00 0.00 179.45 179.66 1vdy n GLY 103 N 1.48 3.28 2.75 0.07 0.00 -1.26 -4.43 105.19 107.07 1vdy n GLY 103 Ca -0.11 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 0.41 0.60 1.61 -3.43 -1.26 -5.15 115.29 108.06 1vdy s HIS 104 Ca 0.00 0.00 -0.18 0.00 -0.80 0.00 0.00 55.06 54.08 1vdy s HIS 104 Cb 0.00 -0.63 -0.03 0.00 -1.43 0.00 0.00 32.58 30.49 1vdy s HIS 104 CO 0.00 -0.25 1.18 -1.25 -2.00 0.00 0.00 174.74 172.42 1vdy s PRO 105 N 1.86 2.98 0.16 -0.38 0.04 -1.26 -5.01 135.00 133.39 1vdy s PRO 105 Ca 0.02 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1vdy s PRO 105 Cb -0.12 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1vdy s PRO 105 CO -0.04 -1.17 0.87 -0.51 0.04 0.00 0.00 177.00 176.19 1vdy s ASP 106 N -1.78 7.47 0.29 6.66 1.11 -0.92 -4.86 116.67 124.64 1vdy s ASP 106 Ca 0.75 1.74 0.02 0.00 0.18 0.00 0.00 52.55 55.24 1vdy s ASP 106 Cb -0.28 -2.55 0.46 0.00 1.07 0.00 0.00 42.92 41.62 1vdy s ASP 106 CO 0.33 0.10 1.77 1.55 1.18 0.00 0.00 175.17 180.10 1vdy h PRO 107 N 4.79 0.54 0.00 8.23 0.13 -1.95 0.30 132.00 144.04 1vdy h PRO 107 Ca -0.45 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.50 1vdy h PRO 107 Cb 1.21 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1vdy h PRO 107 CO 0.69 0.67 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.98 1vdy h LEU 108 N 0.50 0.00 0.00 1.56 4.07 -2.05 -3.41 115.31 115.98 1vdy h LEU 108 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1vdy h LEU 108 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1vdy h LEU 108 CO 0.03 0.08 -0.36 0.29 -1.08 0.00 0.00 178.44 177.40 1vdy n LYS 109 N -3.14 0.00 0.00 1.13 4.76 -1.12 -5.15 118.16 114.64 1vdy n LYS 109 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1vdy n LYS 109 Cb 0.50 -0.26 0.00 0.00 -1.84 0.00 0.00 35.03 33.43 1vdy n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vdy n GLY 110 N 2.37 0.62 2.01 0.72 0.00 0.10 -4.62 105.19 106.39 1vdy n GLY 110 Ca 0.00 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1vdy n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vdy n ASP 111 N 0.00 5.34 -0.05 1.61 2.03 -1.26 -2.16 116.55 122.06 1vdy n ASP 111 Ca 0.00 -2.53 -0.07 0.00 0.52 0.00 0.00 54.79 52.71 1vdy n ASP 111 Cb 0.00 -1.39 -0.02 0.00 -0.72 0.00 0.00 41.12 38.99 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vdy n ALA 112 N 2.32 1.55 -0.18 -1.67 0.00 -1.26 -4.07 120.51 117.20 1vdy n ALA 112 Ca 0.41 -0.58 -0.07 0.00 0.00 0.00 0.00 53.44 53.20 1vdy n ALA 112 Cb 0.87 0.11 0.02 0.00 0.00 0.00 0.00 19.45 20.45 1vdy n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vdy h LEU 113 N -0.69 0.64 -1.15 0.00 -0.00 -1.96 -2.69 115.31 109.46 1vdy h LEU 113 Ca -0.03 -0.07 -0.09 0.00 -0.00 0.00 0.00 57.88 57.70 1vdy h LEU 113 Cb 0.73 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 1vdy h LEU 113 CO -0.02 0.52 -0.42 -0.55 -0.00 0.00 0.00 178.44 177.98 1vdy h ASN 114 N 0.71 0.00 -0.78 -0.43 -1.07 -1.85 -3.17 115.58 108.99 1vdy h ASN 114 Ca 0.19 0.00 0.09 0.00 0.07 0.00 0.00 56.30 56.65 1vdy h ASN 114 Cb -0.00 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.18 1vdy h ASN 114 CO -0.03 0.42 0.43 0.50 0.07 0.00 0.00 177.43 178.81 1vdy h LYS 115 N 0.00 0.69 -0.08 4.14 3.11 -1.62 -1.44 116.57 121.38 1vdy h LYS 115 Ca -0.00 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1vdy h LYS 115 Cb 0.76 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1vdy h LYS 115 CO 0.05 0.46 0.07 0.00 -2.81 0.00 0.00 179.45 177.22 1vdy h ALA 116 N 1.45 1.86 0.10 5.00 0.00 -1.59 -2.60 119.26 123.47 1vdy h ALA 116 Ca 0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1vdy h ALA 116 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1vdy h ALA 116 CO -0.26 -0.11 -0.05 0.28 0.00 0.00 0.00 179.25 179.12 1vdy h VAL 117 N 0.00 1.05 -0.42 0.00 2.07 -1.41 -2.55 116.25 114.99 1vdy h VAL 117 Ca 0.04 -0.55 -0.15 0.00 0.82 0.00 0.00 66.70 66.86 1vdy h VAL 117 Cb 0.17 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1vdy h VAL 117 CO -0.00 0.13 -0.32 0.03 0.02 0.00 0.00 177.57 177.44 1vdy h ARG 118 N -0.38 0.96 0.19 1.57 -0.00 -1.58 0.05 114.38 115.18 1vdy h ARG 118 Ca -0.01 -0.46 0.01 0.00 -0.50 0.00 0.00 59.98 59.02 1vdy h ARG 118 Cb 0.32 -0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.25 1vdy h ARG 118 CO 0.02 1.13 -0.38 0.93 0.00 0.00 0.00 179.97 181.67 1vdy h GLU 119 N 0.80 -0.64 0.00 0.04 4.39 -1.49 -0.59 114.58 117.10 1vdy h GLU 119 Ca 0.08 0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 1vdy h GLU 119 Cb 0.90 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1vdy h GLU 119 CO 0.08 -0.42 -0.36 1.15 -1.16 0.00 0.00 179.01 178.30 1vdy h THR 120 N -0.66 1.17 -0.94 1.13 2.02 -1.44 -2.92 112.91 111.27 1vdy h THR 120 Ca 0.01 -1.27 0.12 0.00 0.77 0.00 0.00 66.41 66.03 1vdy h THR 120 Cb 0.66 1.70 -0.07 0.00 -1.74 0.00 0.00 68.15 68.70 1vdy h THR 120 CO -0.18 0.35 0.60 0.00 0.37 0.00 0.00 175.52 176.67 1vdy h ALA 121 N 1.64 1.63 -0.19 6.16 0.00 0.62 -0.35 119.26 128.77 1vdy h ALA 121 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1vdy h ALA 121 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1vdy h ALA 121 CO 0.05 0.14 0.04 0.45 0.00 0.00 0.00 179.25 179.93 1vdy h HIS 122 N 0.89 0.33 -0.39 0.00 -0.00 -1.23 -2.92 115.15 111.82 1vdy h HIS 122 Ca 0.46 -0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.71 1vdy h HIS 122 Cb 0.52 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.82 1vdy h HIS 122 CO -0.00 0.45 -0.06 0.93 -0.00 0.00 0.00 177.93 179.25 1vdy h GLU 123 N 0.11 0.66 -0.34 2.45 5.08 -1.44 -3.15 114.58 117.96 1vdy h GLU 123 Ca 0.06 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1vdy h GLU 123 Cb 0.30 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1vdy h GLU 123 CO 0.00 0.72 0.16 1.15 -1.00 0.00 0.00 179.01 180.04 1vdy h THR 124 N 0.61 1.16 -0.72 1.13 2.02 -1.00 -2.67 112.91 113.45 1vdy h THR 124 Ca 0.12 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 66.88 1vdy h THR 124 Cb 0.48 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 1vdy h THR 124 CO 0.02 0.17 0.42 0.40 0.37 0.00 0.00 175.52 176.91 1vdy h ILE 125 N 0.41 1.01 -0.93 3.11 1.08 -1.47 -1.89 117.51 118.82 1vdy h ILE 125 Ca 0.12 -0.27 0.11 0.00 -0.39 0.00 0.00 64.86 64.43 1vdy h ILE 125 Cb 0.13 0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 33.96 1vdy h ILE 125 CO -0.01 0.14 0.60 -1.28 -0.69 0.00 0.00 178.15 176.91 1vdy h SER 126 N 0.78 0.82 0.19 1.72 0.87 -1.48 -1.37 113.55 115.08 1vdy h SER 126 Ca 0.32 0.03 -0.27 0.00 -1.23 0.00 0.00 61.79 60.64 1vdy h SER 126 Cb 0.16 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1vdy h SER 126 CO -0.17 0.45 -1.11 0.00 -0.53 0.00 0.00 176.83 175.47 1vdy h ALA 127 N 1.56 0.14 -0.28 6.23 0.00 -1.16 -2.11 119.26 123.64 1vdy h ALA 127 Ca 0.45 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1vdy h ALA 127 Cb 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1vdy h ALA 127 CO -0.21 0.75 -0.06 0.82 0.00 0.00 0.00 179.25 180.55 1vdy h ILE 128 N 0.28 1.28 -0.24 0.00 2.04 -0.92 -3.18 117.51 116.77 1vdy h ILE 128 Ca -0.14 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1vdy h ILE 128 Cb 1.77 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1vdy h ILE 128 CO 0.21 0.34 0.00 0.49 0.00 0.00 0.00 178.15 179.18 1vdy n PHE 129 N -4.52 0.31 -1.47 1.37 3.01 -0.56 -4.88 117.46 110.72 1vdy n PHE 129 Ca -0.03 -0.16 -0.50 0.00 1.01 0.00 0.00 57.45 57.77 1vdy n PHE 129 Cb 0.30 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.71 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1vdy n SER 130 N 0.61 2.28 -3.91 4.37 2.88 -0.79 -4.94 113.62 114.12 1vdy n SER 130 Ca 0.16 0.44 -0.09 0.00 -1.33 0.00 0.00 58.87 58.05 1vdy n SER 130 Cb 0.39 -1.29 -0.08 0.00 -0.75 0.00 0.00 64.21 62.48 1vdy n SER 130 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1vdy s GLU 131 N 6.06 0.76 -0.10 -1.46 0.41 -1.26 -5.06 118.70 118.05 1vdy s GLU 131 Ca 1.08 -0.95 -0.24 0.00 -0.41 0.00 0.00 54.97 54.44 1vdy s GLU 131 Cb -0.81 0.30 -0.20 0.00 -1.78 0.00 0.00 34.13 31.63 1vdy s GLU 131 CO 0.48 -0.22 0.81 1.49 -0.49 0.00 0.00 175.26 177.33 1vdy h GLU 132 N 3.00 -0.04 -2.73 1.61 4.81 -2.04 -3.45 114.58 115.73 1vdy h GLU 132 Ca -0.34 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.58 1vdy h GLU 132 Cb 1.19 0.01 -0.36 0.00 0.63 0.00 0.00 28.75 30.22 1vdy h GLU 132 CO 0.57 0.66 -0.63 1.21 -0.73 0.00 0.00 179.01 180.09 1vdy s ASN 133 N -5.91 1.20 -0.44 1.04 2.47 -1.26 -5.04 114.94 107.00 1vdy s ASN 133 Ca -0.15 -0.04 0.07 0.00 0.42 0.00 0.00 52.86 53.16 1vdy s ASN 133 Cb -0.01 0.34 0.34 0.00 -1.45 0.00 0.00 41.25 40.46 1vdy s ASN 133 CO 0.58 -0.30 1.12 0.61 -3.72 0.00 0.00 177.10 175.39 1vdy n GLY 134 N 5.32 1.00 3.42 1.21 0.00 -1.26 -5.10 105.19 109.78 1vdy n GLY 134 Ca -0.05 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.40 5.44 -0.53 1.61 0.15 -1.26 -5.07 113.70 112.65 1vdy s SER 135 Ca 0.24 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.28 1vdy s SER 135 Cb 0.32 -1.97 0.14 0.00 -1.71 0.00 0.00 66.02 62.79 1vdy s SER 135 CO -0.06 -0.18 0.39 -0.83 1.20 0.00 0.00 173.24 173.76 1vdy s GLY 136 N 1.59 2.19 0.41 9.45 0.00 -1.26 -4.97 107.32 114.73 1vdy s GLY 136 Ca 0.04 -2.76 0.28 0.00 0.00 0.00 0.00 44.72 42.29 1vdy s GLY 136 CO 0.05 1.11 1.82 -0.56 0.00 0.00 0.00 173.10 175.53 1vdy h PRO 137 N 8.05 0.00 -6.84 2.90 0.13 -2.08 -3.44 132.00 130.72 1vdy h PRO 137 Ca -0.13 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.50 1vdy h PRO 137 Cb 1.04 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.20 1vdy h PRO 137 CO 0.80 0.00 0.49 -1.54 -0.23 0.00 0.00 178.00 177.52 1vdy s SER 138 N -5.24 7.11 0.39 1.44 1.04 -1.26 -5.01 113.70 112.16 1vdy s SER 138 Ca 0.04 2.30 -0.15 0.00 0.48 0.00 0.00 55.95 58.61 1vdy s SER 138 Cb 0.09 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.64 1vdy s SER 138 CO 0.53 -0.26 0.79 -0.55 0.98 0.00 0.00 173.24 174.73 1vdy s SER 139 N -0.93 0.02 0.00 7.02 0.15 -1.26 -5.25 113.70 113.45 1vdy s SER 139 Ca 0.47 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1vdy s SER 139 Cb -0.32 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1vdy s SER 139 CO 0.41 -1.69 0.00 0.61 1.20 0.00 0.00 173.24 173.77