#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 0.78 0.09 1.61 7.64 -1.26 -4.96 113.62 117.52 1vdy n SER 2 Ca 0.00 -2.85 0.10 0.00 1.01 0.00 0.00 58.87 57.13 1vdy n SER 2 Cb 0.00 -0.64 0.42 0.00 -1.01 0.00 0.00 64.21 62.98 1vdy n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vdy n SER 3 N 1.15 0.43 0.00 6.43 2.88 -1.26 -4.82 113.62 118.43 1vdy n SER 3 Ca 0.23 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1vdy n SER 3 Cb 0.53 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1vdy n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vdy n GLY 4 N -0.14 3.07 2.26 0.46 0.00 -1.26 -5.03 105.19 104.56 1vdy n GLY 4 Ca 0.02 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1vdy n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vdy n SER 5 N 0.00 5.53 -4.77 1.61 7.64 -1.26 -4.92 113.62 117.46 1vdy n SER 5 Ca 0.00 -2.37 -0.41 0.00 1.01 0.00 0.00 58.87 57.10 1vdy n SER 5 Cb 0.00 -1.24 -0.01 0.00 -1.01 0.00 0.00 64.21 61.96 1vdy n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1vdy s SER 6 N 2.45 6.34 0.00 6.43 1.04 -1.26 -4.56 113.70 124.14 1vdy s SER 6 Ca 0.55 3.01 0.00 0.00 0.48 0.00 0.00 55.95 59.99 1vdy s SER 6 Cb 0.20 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1vdy s SER 6 CO -0.02 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1vdy n GLY 7 N 1.28 -2.24 0.00 7.32 0.00 -1.26 -5.06 105.19 105.24 1vdy n GLY 7 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.39 1.78 0.26 1.61 2.13 -1.26 -4.70 120.64 120.85 1vdy n GLU 8 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 1vdy n GLU 8 Cb 0.00 -0.89 0.92 0.00 0.27 0.00 0.00 31.44 31.74 1vdy n GLU 8 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1vdy h SER 9 N 0.00 0.00 -0.96 4.31 4.64 -1.98 -1.15 113.55 118.40 1vdy h SER 9 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1vdy h SER 9 Cb 0.78 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.80 1vdy h SER 9 CO 0.00 0.00 0.61 0.10 -0.87 0.00 0.00 176.83 176.67 1vdy h TYR 10 N 0.00 1.08 0.06 4.77 -0.00 -1.98 -0.92 116.97 119.97 1vdy h TYR 10 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 58.73 58.80 1vdy h TYR 10 Cb 0.37 -0.35 -0.00 0.00 0.00 0.00 0.00 36.73 36.76 1vdy h TYR 10 CO 0.00 0.47 -0.06 2.35 -0.00 0.00 0.00 178.16 180.92 1vdy h TRP 11 N 0.98 -0.16 -0.48 0.10 -0.00 -1.55 0.16 115.95 115.00 1vdy h TRP 11 Ca 0.46 0.00 0.06 0.00 -0.00 0.00 0.00 58.89 59.41 1vdy h TRP 11 Cb 0.42 0.06 -0.05 0.00 -0.00 0.00 0.00 29.16 29.59 1vdy h TRP 11 CO -0.00 -0.08 0.19 0.00 -0.00 0.00 0.00 178.44 178.55 1vdy h ARG 12 N -0.12 0.36 -0.34 2.65 3.08 -1.69 -2.55 114.38 115.78 1vdy h ARG 12 Ca -0.01 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1vdy h ARG 12 Cb 0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1vdy h ARG 12 CO -0.00 0.24 0.20 1.03 -1.07 0.00 0.00 179.97 180.37 1vdy h SER 13 N 0.37 0.34 -0.91 7.04 0.87 -1.10 -2.89 113.55 117.27 1vdy h SER 13 Ca 0.23 -0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.95 1vdy h SER 13 Cb 0.21 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1vdy h SER 13 CO -0.21 0.25 0.59 0.03 -0.53 0.00 0.00 176.83 176.95 1vdy h ARG 14 N 0.42 0.59 0.74 2.24 2.47 -0.23 0.12 114.38 120.74 1vdy h ARG 14 Ca 0.13 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.78 1vdy h ARG 14 Cb -0.02 -0.13 0.01 0.00 -1.65 0.00 0.00 29.97 28.18 1vdy h ARG 14 CO -0.05 0.39 -0.37 0.52 0.56 0.00 0.00 179.97 181.02 1vdy h MET 15 N 0.61 -0.98 0.11 0.04 2.86 -1.48 -0.99 114.93 115.10 1vdy h MET 15 Ca 0.47 0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 58.17 1vdy h MET 15 Cb 0.89 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1vdy h MET 15 CO -0.22 -0.65 -0.05 0.82 1.06 0.00 0.00 176.91 177.86 1vdy h ILE 16 N -1.02 0.90 -0.72 -1.22 1.08 -1.44 -2.62 117.51 112.48 1vdy h ILE 16 Ca -0.10 -0.06 0.14 0.00 -0.39 0.00 0.00 64.86 64.46 1vdy h ILE 16 Cb 0.79 0.94 -0.10 0.00 -3.07 0.00 0.00 36.82 35.38 1vdy h ILE 16 CO 0.16 0.01 0.23 -0.78 -0.69 0.00 0.00 178.15 177.08 1vdy h ASP 17 N -0.18 0.14 -0.25 1.72 1.82 -0.75 -0.21 116.42 118.71 1vdy h ASP 17 Ca -0.02 0.12 -0.08 0.00 -0.39 0.00 0.00 57.03 56.66 1vdy h ASP 17 Cb 0.14 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1vdy h ASP 17 CO 0.03 0.04 -0.12 0.00 -1.61 0.00 0.00 179.24 177.58 1vdy h ALA 18 N 1.56 1.10 -0.01 -0.78 0.00 -0.92 -0.31 119.26 119.89 1vdy h ALA 18 Ca 0.40 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1vdy h ALA 18 Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1vdy h ALA 18 CO -0.44 0.56 -0.08 1.33 0.00 0.00 0.00 179.25 180.62 1vdy n VAL 19 N -4.18 0.00 -1.97 0.00 0.24 -0.57 -3.76 118.33 108.08 1vdy n VAL 19 Ca 0.01 -0.15 0.04 0.00 -2.04 0.00 0.00 64.34 62.21 1vdy n VAL 19 Cb 0.35 0.20 0.13 0.00 -1.47 0.00 0.00 33.84 33.05 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 -0.42 1.37 -1.96 3.34 -2.24 -0.20 -4.61 114.28 109.56 1vdy n THR 20 Ca 0.17 -2.42 -0.40 0.00 -2.27 0.00 0.00 64.05 59.13 1vdy n THR 20 Cb 0.30 0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1vdy n THR 20 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1vdy s SER 21 N -2.79 6.30 0.00 3.42 0.01 -0.20 -4.73 113.70 115.70 1vdy s SER 21 Ca 0.37 2.80 0.07 0.00 1.31 0.00 0.00 55.95 60.50 1vdy s SER 21 Cb 0.38 -2.65 0.34 0.00 0.21 0.00 0.00 66.02 64.29 1vdy s SER 21 CO -0.10 -0.87 1.20 -0.90 0.41 0.00 0.00 173.24 172.97 1vdy n ASP 22 N 0.24 0.00 -4.78 2.44 5.75 -1.26 -4.63 116.55 114.31 1vdy n ASP 22 Ca 0.03 0.40 -0.36 0.00 -0.01 0.00 0.00 54.79 54.85 1vdy n ASP 22 Cb 0.42 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1vdy n ASP 22 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1vdy s GLU 23 N -2.87 3.87 0.25 0.11 2.12 -1.26 -4.85 118.70 116.07 1vdy s GLU 23 Ca 0.05 1.57 0.19 0.00 0.36 0.00 0.00 54.97 57.14 1vdy s GLU 23 Cb 0.05 -2.34 0.96 0.00 0.26 0.00 0.00 34.13 33.05 1vdy s GLU 23 CO 0.13 -0.41 1.58 -0.25 -0.54 0.00 0.00 175.26 175.77 1vdy n ASP 24 N -0.53 0.49 -4.59 -1.70 9.92 -1.26 -4.65 116.55 114.23 1vdy n ASP 24 Ca 0.07 0.70 -0.42 0.00 -0.53 0.00 0.00 54.79 54.61 1vdy n ASP 24 Cb 0.50 -0.77 -0.03 0.00 -0.64 0.00 0.00 41.12 40.18 1vdy n ASP 24 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1vdy s LYS 25 N -3.41 3.04 0.53 -1.24 2.20 -1.26 -4.96 119.74 114.65 1vdy s LYS 25 Ca -0.00 1.74 -0.20 0.00 -0.36 0.00 0.00 55.97 57.14 1vdy s LYS 25 Cb 0.06 -4.35 -0.07 0.00 -1.51 0.00 0.00 37.83 31.96 1vdy s LYS 25 CO 0.22 -2.21 0.91 1.55 -0.36 0.00 0.00 175.35 175.47 1vdy n VAL 26 N 7.68 3.02 -2.00 4.02 3.14 -1.26 -4.88 118.33 128.05 1vdy n VAL 26 Ca 0.28 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.74 1vdy n VAL 26 Cb 0.47 -1.08 -0.03 0.00 -1.06 0.00 0.00 33.84 32.14 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 -1.46 3.59 0.69 1.55 0.00 -1.26 -4.98 121.76 119.89 1vdy s ALA 27 Ca 0.70 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 53.43 1vdy s ALA 27 Cb -0.47 -3.76 0.02 0.00 0.00 0.00 0.00 23.12 18.91 1vdy s ALA 27 CO 0.52 -1.45 1.12 -1.25 0.00 0.00 0.00 175.76 174.70 1vdy s PRO 28 N 4.11 2.57 0.22 0.00 0.04 -1.26 -4.95 135.00 135.73 1vdy s PRO 28 Ca 0.74 1.43 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 1vdy s PRO 28 Cb -0.33 -1.92 0.24 0.00 0.04 0.00 0.00 34.50 32.53 1vdy s PRO 28 CO 0.30 -1.43 1.85 0.28 0.04 0.00 0.00 177.00 178.04 1vdy h VAL 29 N -0.22 1.09 -0.99 -0.36 2.07 -2.00 -2.77 116.25 113.06 1vdy h VAL 29 Ca -0.46 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 66.84 1vdy h VAL 29 Cb 1.25 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 1vdy h VAL 29 CO 0.53 0.17 0.63 0.10 0.02 0.00 0.00 177.57 179.02 1vdy h TYR 30 N 0.93 1.14 0.00 1.57 -0.00 -2.00 0.46 116.97 119.08 1vdy h TYR 30 Ca 0.32 0.03 -0.05 0.00 0.00 0.00 0.00 58.73 59.03 1vdy h TYR 30 Cb 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 36.73 36.41 1vdy h TYR 30 CO -0.04 0.51 -0.26 0.87 -0.00 0.00 0.00 178.16 179.25 1vdy h LYS 31 N 1.04 0.00 0.00 0.10 1.57 -1.87 -2.35 116.57 115.07 1vdy h LYS 31 Ca 0.47 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.17 1vdy h LYS 31 Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.69 1vdy h LYS 31 CO -0.22 0.26 -0.30 -0.07 -0.57 0.00 0.00 179.45 178.54 1vdy h LEU 32 N 0.00 0.26 -0.90 2.94 3.38 -0.98 -3.30 115.31 116.71 1vdy h LEU 32 Ca -0.00 -0.79 0.10 0.00 0.09 0.00 0.00 57.88 57.28 1vdy h LEU 32 Cb 0.50 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 1vdy h LEU 32 CO 0.03 1.01 0.54 -0.33 0.09 0.00 0.00 178.44 179.79 1vdy h GLU 33 N -0.47 0.87 -0.42 1.13 5.08 -1.03 -2.04 114.58 117.71 1vdy h GLU 33 Ca -0.04 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1vdy h GLU 33 Cb 1.06 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 1vdy h GLU 33 CO 0.06 0.58 0.04 0.93 -1.00 0.00 0.00 179.01 179.62 1vdy h GLU 34 N 0.90 0.15 0.20 2.33 4.39 -1.53 -1.79 114.58 119.24 1vdy h GLU 34 Ca 0.44 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 1vdy h GLU 34 Cb 0.39 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1vdy h GLU 34 CO -0.25 0.10 -0.10 0.82 -1.16 0.00 0.00 179.01 178.43 1vdy h ILE 35 N 0.16 0.87 -0.74 3.13 2.04 -1.46 -2.35 117.51 119.15 1vdy h ILE 35 Ca 0.20 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1vdy h ILE 35 Cb 0.28 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1vdy h ILE 35 CO -0.31 0.09 0.49 0.00 0.00 0.00 0.00 178.15 178.42 1vdy h ASP 37 N 0.91 0.43 -0.40 0.00 3.58 -1.29 -3.07 116.42 116.58 1vdy h ASP 37 Ca 0.29 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1vdy h ASP 37 Cb 0.04 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1vdy h ASP 37 CO -0.08 0.81 0.26 -0.07 -2.88 0.00 0.00 179.24 177.28 1vdy h LEU 38 N 0.04 0.46 -2.28 2.28 3.38 -1.03 -1.31 115.31 116.85 1vdy h LEU 38 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1vdy h LEU 38 Cb 0.69 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1vdy h LEU 38 CO 0.04 0.34 -0.02 -0.07 0.09 0.00 0.00 178.44 178.81 1vdy h LEU 39 N 0.54 0.00 0.13 1.67 3.38 -0.93 0.73 115.31 120.84 1vdy h LEU 39 Ca 0.15 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.78 1vdy h LEU 39 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1vdy h LEU 39 CO -0.03 0.02 -1.80 0.03 0.09 0.00 0.00 178.44 176.75 1vdy h ARG 40 N 0.00 0.28 0.00 1.13 3.08 -1.28 -3.36 114.38 114.23 1vdy h ARG 40 Ca -0.00 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1vdy h ARG 40 Cb 0.06 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1vdy h ARG 40 CO 0.00 1.23 0.00 0.77 -1.07 0.00 0.00 179.97 180.90 1vdy h SER 41 N -0.05 0.00 -3.03 7.04 0.02 -1.08 -3.45 113.55 113.00 1vdy h SER 41 Ca -0.38 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.08 1vdy h SER 41 Cb 1.96 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.51 1vdy h SER 41 CO 0.09 0.00 -0.13 -0.44 -1.14 0.00 0.00 176.83 175.20 1vdy s SER 42 N -5.44 6.33 0.65 3.07 0.01 0.22 -5.08 113.70 113.47 1vdy s SER 42 Ca 0.05 0.60 -0.15 0.00 1.31 0.00 0.00 55.95 57.75 1vdy s SER 42 Cb 0.08 -2.10 -0.00 0.00 0.21 0.00 0.00 66.02 64.21 1vdy s SER 42 CO 0.57 -0.30 1.10 -2.28 0.41 0.00 0.00 173.24 172.74 1vdy s HIS 43 N -2.30 2.66 0.52 2.43 2.46 -1.26 -4.87 115.29 114.93 1vdy s HIS 43 Ca 0.42 1.55 0.24 0.00 0.47 0.00 0.00 55.06 57.73 1vdy s HIS 43 Cb -0.10 -3.15 1.36 0.00 -0.13 0.00 0.00 32.58 30.56 1vdy s HIS 43 CO 0.35 -1.63 2.00 -0.24 -2.47 0.00 0.00 174.74 172.76 1vdy h VAL 44 N 0.06 0.76 -0.38 0.89 3.04 -1.96 0.32 116.25 118.98 1vdy h VAL 44 Ca -0.47 -0.01 0.02 0.00 -1.01 0.00 0.00 66.70 65.23 1vdy h VAL 44 Cb 1.24 0.73 -0.02 0.00 -2.01 0.00 0.00 31.29 31.23 1vdy h VAL 44 CO 0.54 0.01 0.26 -1.28 -1.01 0.00 0.00 177.57 176.09 1vdy h SER 45 N 0.03 0.38 -0.19 3.17 0.87 -1.99 0.03 113.55 115.85 1vdy h SER 45 Ca 0.24 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.60 1vdy h SER 45 Cb 0.91 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1vdy h SER 45 CO -0.01 0.27 -0.63 0.40 -0.53 0.00 0.00 176.83 176.33 1vdy h ILE 46 N 0.45 1.29 -0.88 2.23 1.08 -1.29 -1.83 117.51 118.56 1vdy h ILE 46 Ca 0.15 -1.83 0.03 0.00 -0.39 0.00 0.00 64.86 62.81 1vdy h ILE 46 Cb 0.06 1.89 -0.05 0.00 -3.07 0.00 0.00 36.82 35.65 1vdy h ILE 46 CO -0.03 0.58 0.57 0.58 -0.69 0.00 0.00 178.15 179.16 1vdy h VAL 47 N 0.50 1.17 -0.00 1.67 2.07 -1.04 0.42 116.25 121.03 1vdy h VAL 47 Ca -0.02 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1vdy h VAL 47 Cb 1.25 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1vdy h VAL 47 CO 0.13 0.21 0.00 0.11 0.02 0.00 0.00 177.57 178.04 1vdy h LYS 48 N 1.13 0.01 -0.63 1.57 1.57 -0.98 -1.34 116.57 117.89 1vdy h LYS 48 Ca 0.34 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.19 1vdy h LYS 48 Cb -0.03 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 1vdy h LYS 48 CO -0.11 0.27 0.32 0.93 -0.57 0.00 0.00 179.45 180.30 1vdy h GLU 49 N -0.26 0.56 -0.81 3.15 4.39 -0.91 -0.95 114.58 119.74 1vdy h GLU 49 Ca 0.00 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1vdy h GLU 49 Cb 0.27 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 1vdy h GLU 49 CO 0.00 0.37 0.53 0.74 -1.16 0.00 0.00 179.01 179.49 1vdy h PHE 50 N 0.58 1.03 -0.86 4.33 0.04 -0.78 -1.19 116.94 120.08 1vdy h PHE 50 Ca 0.29 0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.11 1vdy h PHE 50 Cb 0.24 -0.35 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 1vdy h PHE 50 CO -0.10 0.66 0.56 0.77 -0.60 0.00 0.00 178.31 179.59 1vdy h SER 51 N 1.11 0.94 -0.09 2.17 0.02 -0.04 -1.15 113.55 116.50 1vdy h SER 51 Ca 0.30 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1vdy h SER 51 Cb -0.11 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.21 1vdy h SER 51 CO -0.06 0.66 0.03 -0.33 -1.14 0.00 0.00 176.83 175.99 1vdy h GLU 52 N 1.10 0.15 -0.40 3.45 4.39 -0.51 -2.89 114.58 119.87 1vdy h GLU 52 Ca 0.34 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.02 1vdy h GLU 52 Cb -0.03 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1vdy h GLU 52 CO -0.10 0.29 0.27 0.74 -1.16 0.00 0.00 179.01 179.05 1vdy h PHE 53 N -0.03 0.49 0.43 4.33 0.04 -0.78 -1.73 116.94 119.68 1vdy h PHE 53 Ca 0.03 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 1vdy h PHE 53 Cb 0.21 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1vdy h PHE 53 CO -0.01 0.30 -0.20 0.82 -0.60 0.00 0.00 178.31 178.62 1vdy h ILE 54 N 0.52 0.58 -0.44 -0.55 2.04 -1.03 -2.80 117.51 115.84 1vdy h ILE 54 Ca 0.15 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 66.01 1vdy h ILE 54 Cb -0.03 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1vdy h ILE 54 CO -0.03 0.01 0.30 -0.07 0.00 0.00 0.00 178.15 178.35 1vdy h LEU 55 N -0.59 0.38 -1.49 1.44 3.38 -1.24 -1.63 115.31 115.55 1vdy h LEU 55 Ca -0.06 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.00 1vdy h LEU 55 Cb 0.45 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1vdy h LEU 55 CO 0.10 0.25 0.46 0.11 0.09 0.00 0.00 178.44 179.45 1vdy h LYS 56 N 0.43 0.56 0.00 1.13 1.79 -1.05 -0.33 116.57 119.11 1vdy h LYS 56 Ca 0.19 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1vdy h LYS 56 Cb 0.19 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1vdy h LYS 56 CO -0.05 0.37 -0.07 0.00 -1.08 0.00 0.00 179.45 178.63 1vdy h ARG 57 N 0.58 0.00 0.00 3.15 2.47 -1.29 -2.83 114.38 116.46 1vdy h ARG 57 Ca 0.32 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.01 1vdy h ARG 57 Cb 0.48 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1vdy h ARG 57 CO -0.11 0.07 -0.13 -0.07 0.56 0.00 0.00 179.97 180.29 1vdy h LEU 58 N 0.00 0.00 -1.09 3.04 4.07 -1.12 -2.94 115.31 117.27 1vdy h LEU 58 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1vdy h LEU 58 Cb 0.64 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.37 1vdy h LEU 58 CO 0.01 0.13 -0.11 -0.78 -1.08 0.00 0.00 178.44 176.61 1vdy h ASP 59 N 0.00 0.00 -3.04 -0.43 3.58 -1.52 -3.46 116.42 111.56 1vdy h ASP 59 Ca -0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 1vdy h ASP 59 Cb 0.83 0.00 0.13 0.00 1.72 0.00 0.00 39.33 42.01 1vdy h ASP 59 CO 0.02 0.11 0.18 -3.20 -2.88 0.00 0.00 179.24 173.46 1vdy n ASN 60 N -3.22 1.33 0.11 2.28 2.85 -1.11 -4.94 115.26 112.57 1vdy n ASN 60 Ca 0.01 1.05 0.09 0.00 -0.11 0.00 0.00 54.58 55.62 1vdy n ASN 60 Cb 0.40 -1.36 0.01 0.00 1.24 0.00 0.00 39.78 40.07 1vdy n ASN 60 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1vdy h LYS 61 N 1.61 0.00 -6.80 1.20 1.79 -1.89 -3.47 116.57 109.01 1vdy h LYS 61 Ca -0.44 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.51 1vdy h LYS 61 Cb 1.34 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 32.04 1vdy h LYS 61 CO 0.57 0.07 0.65 -1.12 -1.08 0.00 0.00 179.45 178.54 1vdy s SER 62 N -5.59 6.83 0.27 0.86 0.01 -1.26 -4.82 113.70 109.99 1vdy s SER 62 Ca 0.00 2.57 0.08 0.00 1.31 0.00 0.00 55.95 59.92 1vdy s SER 62 Cb 0.09 -2.63 0.34 0.00 0.21 0.00 0.00 66.02 64.03 1vdy s SER 62 CO 0.78 -0.53 1.61 1.55 0.41 0.00 0.00 173.24 177.06 1vdy h PRO 63 N 4.23 0.10 0.51 12.44 0.13 -1.90 -3.33 132.00 144.18 1vdy h PRO 63 Ca -0.47 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1vdy h PRO 63 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1vdy h PRO 63 CO 0.71 0.66 -0.24 0.82 -0.23 0.00 0.00 178.00 179.71 1vdy h ILE 64 N 0.08 0.00 -0.90 -3.56 2.04 -1.92 -3.27 117.51 109.97 1vdy h ILE 64 Ca -0.01 -0.08 0.17 0.00 1.00 0.00 0.00 64.86 65.94 1vdy h ILE 64 Cb 1.06 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.97 1vdy h ILE 64 CO 0.08 0.00 -0.26 0.52 0.00 0.00 0.00 178.15 178.50 1vdy n VAL 65 N -4.05 -0.40 0.23 1.67 0.31 -1.25 -1.75 118.33 113.08 1vdy n VAL 65 Ca -0.08 2.07 -0.17 0.00 -0.01 0.00 0.00 64.34 66.15 1vdy n VAL 65 Cb 0.27 -2.83 -0.09 0.00 -0.91 0.00 0.00 33.84 30.28 1vdy n VAL 65 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1vdy h LYS 66 N 0.00 -0.83 -0.77 5.55 1.57 -1.68 -2.77 116.57 117.65 1vdy h LYS 66 Ca 0.40 0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.42 1vdy h LYS 66 Cb 0.63 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 1vdy h LYS 66 CO -0.92 -0.55 0.52 0.37 -0.57 0.00 0.00 179.45 178.30 1vdy h GLN 67 N -0.86 0.27 -0.34 3.15 5.75 -1.39 -1.41 115.11 120.28 1vdy h GLN 67 Ca -0.03 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1vdy h GLN 67 Cb 0.78 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.26 1vdy h GLN 67 CO -0.12 0.18 0.16 0.87 -2.65 0.00 0.00 178.83 177.27 1vdy h LYS 68 N 0.28 0.49 -0.37 1.69 1.57 -1.35 -2.48 116.57 116.40 1vdy h LYS 68 Ca 0.38 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1vdy h LYS 68 Cb 1.07 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1vdy h LYS 68 CO -0.10 0.46 -0.01 0.00 -0.57 0.00 0.00 179.45 179.23 1vdy h ALA 69 N 1.01 1.29 -0.08 3.86 0.00 -1.23 -2.43 119.26 121.68 1vdy h ALA 69 Ca 0.11 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1vdy h ALA 69 Cb 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1vdy h ALA 69 CO -0.01 0.48 -0.18 -0.07 0.00 0.00 0.00 179.25 179.47 1vdy h LEU 70 N 0.56 -0.54 -0.35 0.00 -0.00 -1.04 -1.48 115.31 112.46 1vdy h LEU 70 Ca 0.12 0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 58.07 1vdy h LEU 70 Cb 0.37 0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 1vdy h LEU 70 CO 0.01 -0.23 0.16 -0.09 -0.00 0.00 0.00 178.44 178.29 1vdy h ARG 71 N -0.25 0.51 -0.69 1.13 2.43 -1.36 -2.94 114.38 113.21 1vdy h ARG 71 Ca 0.08 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1vdy h ARG 71 Cb 0.37 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1vdy h ARG 71 CO -0.23 0.48 0.42 1.25 -1.51 0.00 0.00 179.97 180.38 1vdy h LEU 72 N 0.43 0.66 0.08 3.80 5.85 -1.02 0.47 115.31 125.58 1vdy h LEU 72 Ca 0.12 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1vdy h LEU 72 Cb 0.15 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1vdy h LEU 72 CO -0.01 0.45 -0.17 0.40 -0.34 0.00 0.00 178.44 178.77 1vdy h ILE 73 N 0.80 0.62 -0.47 4.05 2.04 -1.13 0.19 117.51 123.61 1vdy h ILE 73 Ca 0.29 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.06 1vdy h ILE 73 Cb 0.09 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1vdy h ILE 73 CO -0.14 0.00 -0.06 0.07 0.00 0.00 0.00 178.15 178.02 1vdy h LYS 74 N -0.32 0.82 -0.38 2.37 2.10 -1.31 0.13 116.57 119.98 1vdy h LYS 74 Ca 0.03 -0.26 -0.03 0.00 -2.00 0.00 0.00 60.65 58.39 1vdy h LYS 74 Cb 0.34 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 1vdy h LYS 74 CO -0.10 0.87 0.12 -0.92 -2.00 0.00 0.00 179.45 177.42 1vdy h TYR 75 N 0.75 0.61 0.00 0.07 5.03 -0.50 -3.28 116.97 119.65 1vdy h TYR 75 Ca 0.13 -0.06 -0.11 0.00 2.58 0.00 0.00 58.73 61.27 1vdy h TYR 75 Cb 0.55 -0.18 0.01 0.00 1.55 0.00 0.00 36.73 38.66 1vdy h TYR 75 CO 0.03 0.58 -0.44 0.00 -1.32 0.00 0.00 178.16 177.00 1vdy h ALA 76 N 0.97 0.05 -2.94 1.82 0.00 -0.53 -3.43 119.26 115.19 1vdy h ALA 76 Ca 0.12 -0.53 -0.54 0.00 0.00 0.00 0.00 54.91 53.97 1vdy h ALA 76 Cb 0.25 0.03 0.12 0.00 0.00 0.00 0.00 17.79 18.19 1vdy h ALA 76 CO -0.00 0.23 0.54 0.54 0.00 0.00 0.00 179.25 180.56 1vdy s VAL 77 N -3.12 2.37 0.00 0.00 0.11 0.44 -1.64 120.40 118.55 1vdy s VAL 77 Ca -0.14 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1vdy s VAL 77 Cb 0.02 -3.12 0.00 0.00 -1.53 0.00 0.00 36.38 31.75 1vdy s VAL 77 CO 0.78 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 173.14 1vdy n GLY 78 N 0.66 3.20 0.00 6.54 0.00 -1.26 -4.73 105.19 109.59 1vdy n GLY 78 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.53 3.89 0.11 1.61 2.85 -1.05 -4.82 118.16 119.23 1vdy n LYS 79 Ca 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.32 1vdy n LYS 79 Cb 0.00 -0.38 0.01 0.00 -0.65 0.00 0.00 35.03 34.01 1vdy n LYS 79 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1vdy h SER 80 N 0.00 0.00 -4.35 -5.58 0.02 -1.60 -3.49 113.55 98.55 1vdy h SER 80 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vdy h SER 80 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1vdy h SER 80 CO 0.00 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 1vdy n GLY 81 N 1.24 3.17 0.28 -3.77 0.00 -1.26 -4.44 105.19 100.42 1vdy n GLY 81 Ca -0.02 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 1vdy n GLY 81 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vdy h SER 82 N 0.00 0.67 0.58 1.61 4.64 -1.97 -3.28 113.55 115.81 1vdy h SER 82 Ca 0.00 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1vdy h SER 82 Cb 0.00 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1vdy h SER 82 CO 0.00 0.72 -0.39 -0.33 -0.87 0.00 0.00 176.83 175.96 1vdy h GLU 83 N 0.67 -0.90 -0.75 4.77 3.07 -1.99 -1.46 114.58 117.98 1vdy h GLU 83 Ca 0.14 0.06 0.17 0.00 -0.50 0.00 0.00 59.36 59.23 1vdy h GLU 83 Cb 0.38 0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 1vdy h GLU 83 CO 0.01 -0.60 0.51 0.35 -1.40 0.00 0.00 179.01 177.88 1vdy h PHE 84 N -0.94 0.38 0.63 4.33 3.57 -1.88 0.24 116.94 123.27 1vdy h PHE 84 Ca -0.07 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1vdy h PHE 84 Cb 0.77 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.40 1vdy h PHE 84 CO -0.13 0.13 -0.30 -0.09 -2.23 0.00 0.00 178.31 175.69 1vdy h ARG 85 N 0.32 -0.82 -0.48 1.11 2.43 -1.45 -1.94 114.38 113.55 1vdy h ARG 85 Ca 0.37 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.65 1vdy h ARG 85 Cb 0.99 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 1vdy h ARG 85 CO -0.10 -0.54 0.20 0.00 -1.51 0.00 0.00 179.97 178.02 1vdy h ARG 86 N -1.22 0.39 -0.87 0.20 2.47 -0.47 -0.90 114.38 113.98 1vdy h ARG 86 Ca -0.09 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 1vdy h ARG 86 Cb 0.66 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.85 1vdy h ARG 86 CO 0.14 0.26 0.47 0.93 0.56 0.00 0.00 179.97 182.33 1vdy h GLU 87 N 0.40 1.21 -0.32 0.04 4.39 -1.08 -2.66 114.58 116.57 1vdy h GLU 87 Ca 0.22 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1vdy h GLU 87 Cb 0.19 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1vdy h GLU 87 CO -0.20 0.89 0.15 1.98 -1.16 0.00 0.00 179.01 180.68 1vdy h MET 88 N 1.21 0.46 0.00 2.33 4.05 -0.48 -1.66 114.93 120.84 1vdy h MET 88 Ca 0.30 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 1vdy h MET 88 Cb 0.04 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1vdy h MET 88 CO -0.05 0.43 0.00 -0.56 0.23 0.00 0.00 176.91 176.96 1vdy h GLN 89 N 0.38 0.00 0.00 0.39 3.07 -0.87 0.19 115.11 118.27 1vdy h GLN 89 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.85 1vdy h GLN 89 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.68 1vdy h GLN 89 CO -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 178.83 178.75 1vdy h ARG 90 N 0.00 0.00 0.00 0.06 3.08 -1.04 -3.34 114.38 113.14 1vdy h ARG 90 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vdy h ARG 90 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1vdy h ARG 90 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1vdy n ASN 91 N -2.36 0.78 0.04 7.04 3.02 -0.22 -4.84 115.26 118.71 1vdy n ASN 91 Ca 0.05 -1.20 0.02 0.00 -0.03 0.00 0.00 54.58 53.42 1vdy n ASN 91 Cb 0.45 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.10 0.09 -0.08 6.41 3.41 0.49 -1.89 113.62 121.95 1vdy n SER 92 Ca 0.00 0.37 0.09 0.00 -0.26 0.00 0.00 58.87 59.08 1vdy n SER 92 Cb 0.19 -0.36 0.46 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.96 -0.01 -3.33 3.04 -1.88 0.91 116.25 115.93 1vdy h VAL 93 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1vdy h VAL 93 Cb 0.43 0.42 -0.00 0.00 -2.01 0.00 0.00 31.29 30.13 1vdy h VAL 93 CO 0.00 0.09 0.01 0.00 -1.01 0.00 0.00 177.57 176.66 1vdy h ALA 94 N 1.69 1.76 0.02 3.17 0.00 -1.78 -0.31 119.26 123.81 1vdy h ALA 94 Ca 0.26 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.85 1vdy h ALA 94 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1vdy h ALA 94 CO -0.07 -0.01 -1.78 0.28 0.00 0.00 0.00 179.25 177.66 1vdy n VAL 95 N -4.17 1.57 -0.35 0.00 0.31 0.11 -4.33 118.33 111.48 1vdy n VAL 95 Ca -0.03 -0.25 0.03 0.00 -0.01 0.00 0.00 64.34 64.08 1vdy n VAL 95 Cb 0.10 -1.91 0.20 0.00 -0.91 0.00 0.00 33.84 31.31 1vdy n VAL 95 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1vdy h ARG 96 N -0.77 1.10 0.00 5.55 3.08 -0.67 -1.08 114.38 121.60 1vdy h ARG 96 Ca -0.47 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.50 1vdy h ARG 96 Cb 1.54 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 1vdy h ARG 96 CO -0.21 0.73 -0.10 -2.95 -1.07 0.00 0.00 179.97 176.37 1vdy h ASN 97 N 1.14 0.00 0.68 7.04 7.08 -1.29 -2.34 115.58 127.89 1vdy h ASN 97 Ca 0.41 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.63 1vdy h ASN 97 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.39 1vdy h ASN 97 CO -0.16 0.10 0.00 0.18 -2.08 0.00 0.00 177.43 175.47 1vdy n LEU 98 N -3.41 0.00 0.26 6.14 4.77 -0.41 -3.35 117.00 121.00 1vdy n LEU 98 Ca -0.01 0.36 0.18 0.00 -0.03 0.00 0.00 56.01 56.51 1vdy n LEU 98 Cb 0.26 -0.36 0.92 0.00 -2.33 0.00 0.00 43.42 41.91 1vdy n LEU 98 CO 0.29 -0.03 1.03 -0.26 -1.33 0.00 0.00 177.39 177.09 1vdy h PHE 99 N 0.00 0.00 0.00 -1.77 -1.00 -1.48 -0.53 116.94 112.16 1vdy h PHE 99 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1vdy h PHE 99 Cb 0.34 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1vdy h PHE 99 CO 0.00 0.00 -0.02 0.72 -1.61 0.00 0.00 178.31 177.40 1vdy n HIS 100 N -2.75 0.00 -1.91 -0.55 8.25 -1.21 -4.92 115.22 112.12 1vdy n HIS 100 Ca -0.02 -0.70 -0.41 0.00 -0.26 0.00 0.00 57.72 56.33 1vdy n HIS 100 Cb 0.09 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 1vdy n HIS 100 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1vdy s TYR 101 N -1.85 2.75 0.00 4.41 5.04 -0.21 -4.89 117.35 122.60 1vdy s TYR 101 Ca 0.16 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 1vdy s TYR 101 Cb 0.14 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.55 1vdy s TYR 101 CO 0.01 -2.59 0.00 0.36 -1.34 0.00 0.00 175.55 172.00 1vdy n LYS 102 N 0.57 2.26 0.00 4.97 2.85 -1.26 -4.68 118.16 122.87 1vdy n LYS 102 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1vdy n LYS 102 Cb 0.40 -0.64 0.00 0.00 -0.65 0.00 0.00 35.03 34.14 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 1.04 0.70 3.90 2.58 0.00 -1.26 -4.72 105.19 107.42 1vdy n GLY 103 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 3.47 0.73 1.61 -3.43 -1.26 -5.11 115.29 111.30 1vdy s HIS 104 Ca 0.00 0.61 -0.10 0.00 -0.80 0.00 0.00 55.06 54.77 1vdy s HIS 104 Cb 0.00 -2.07 0.05 0.00 -1.43 0.00 0.00 32.58 29.13 1vdy s HIS 104 CO 0.00 0.25 1.08 -1.25 -2.00 0.00 0.00 174.74 172.82 1vdy s PRO 105 N -3.31 2.39 0.07 -0.38 0.04 -1.26 -4.75 135.00 127.80 1vdy s PRO 105 Ca 0.43 0.11 0.09 0.00 0.04 0.00 0.00 61.00 61.67 1vdy s PRO 105 Cb -0.11 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1vdy s PRO 105 CO 0.28 -1.24 -0.24 -0.51 0.04 0.00 0.00 177.00 175.33 1vdy s ASP 106 N -4.47 3.43 0.17 6.66 1.01 -0.90 -4.98 116.67 117.59 1vdy s ASP 106 Ca 0.59 -0.58 -0.06 0.00 0.71 0.00 0.00 52.55 53.21 1vdy s ASP 106 Cb -0.11 -0.38 0.03 0.00 1.01 0.00 0.00 42.92 43.48 1vdy s ASP 106 CO 0.48 0.23 1.45 1.55 0.21 0.00 0.00 175.17 179.10 1vdy h PRO 107 N 4.41 0.64 0.00 8.23 0.13 -1.99 0.15 132.00 143.56 1vdy h PRO 107 Ca -0.48 -0.43 -0.08 0.00 -0.87 0.00 0.00 66.00 64.14 1vdy h PRO 107 Cb 1.15 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1vdy h PRO 107 CO 0.44 1.04 -0.40 1.37 -0.23 0.00 0.00 178.00 180.22 1vdy h LEU 108 N 0.48 0.00 -0.15 1.56 -0.00 -2.06 -3.37 115.31 111.78 1vdy h LEU 108 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1vdy h LEU 108 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1vdy h LEU 108 CO 0.12 0.40 0.00 0.29 -0.00 0.00 0.00 178.44 179.25 1vdy n LYS 109 N -3.84 0.40 0.00 0.17 4.76 -1.23 -5.14 118.16 113.28 1vdy n LYS 109 Ca -0.01 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1vdy n LYS 109 Cb 0.46 -0.44 0.00 0.00 -1.84 0.00 0.00 35.03 33.21 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 0.08 0.01 2.44 0.72 0.00 0.53 -3.88 105.19 105.09 1vdy n GLY 110 Ca 0.00 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.31 7.43 -0.03 1.61 5.75 -1.26 -2.12 116.55 127.62 1vdy n ASP 111 Ca 0.00 -2.70 -0.08 0.00 -0.01 0.00 0.00 54.79 52.00 1vdy n ASP 111 Cb 0.00 -1.56 -0.03 0.00 -1.03 0.00 0.00 41.12 38.50 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vdy n ALA 112 N 4.04 2.25 -0.26 2.12 0.00 -1.25 -4.31 120.51 123.10 1vdy n ALA 112 Ca 0.70 -0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.85 1vdy n ALA 112 Cb 0.27 0.27 0.34 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.38 0.72 0.11 0.00 -0.00 -1.88 -2.73 115.31 111.15 1vdy h LEU 113 Ca -0.15 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 1vdy h LEU 113 Cb 0.84 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1vdy h LEU 113 CO -0.09 0.41 -0.05 -0.55 -0.00 0.00 0.00 178.44 178.16 1vdy h ASN 114 N 0.79 -0.13 -1.08 -0.43 7.08 -1.85 -3.27 115.58 116.68 1vdy h ASN 114 Ca 0.41 -0.24 0.33 0.00 -3.08 0.00 0.00 56.30 53.71 1vdy h ASN 114 Cb 0.49 0.03 -0.13 0.00 -2.08 0.00 0.00 38.32 36.64 1vdy h ASN 114 CO -0.17 0.18 0.66 0.50 -2.08 0.00 0.00 177.43 176.52 1vdy h LYS 115 N -0.44 0.31 -0.58 4.14 3.11 -1.67 -0.79 116.57 120.64 1vdy h LYS 115 Ca -0.02 -0.02 0.15 0.00 -2.81 0.00 0.00 60.65 57.96 1vdy h LYS 115 Cb 0.36 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.50 1vdy h LYS 115 CO 0.03 0.20 0.41 0.00 -2.81 0.00 0.00 179.45 177.28 1vdy h ALA 116 N 1.72 2.42 0.27 5.00 0.00 -1.61 -2.36 119.26 124.71 1vdy h ALA 116 Ca 0.71 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.59 1vdy h ALA 116 Cb 1.79 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1vdy h ALA 116 CO -0.47 -0.59 -0.13 0.28 0.00 0.00 0.00 179.25 178.34 1vdy h VAL 117 N 0.09 0.74 -0.68 0.00 2.07 -1.34 -2.94 116.25 114.19 1vdy h VAL 117 Ca 0.28 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.20 1vdy h VAL 117 Cb 0.98 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1vdy h VAL 117 CO -0.03 0.13 0.45 0.08 0.02 0.00 0.00 177.57 178.22 1vdy h ARG 118 N -0.74 0.67 0.70 1.57 -0.00 -1.55 0.53 114.38 115.55 1vdy h ARG 118 Ca -0.04 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.98 59.87 1vdy h ARG 118 Cb 0.49 -0.15 0.01 0.00 -0.00 0.00 0.00 29.97 30.32 1vdy h ARG 118 CO 0.06 0.44 -0.34 0.93 -0.00 0.00 0.00 179.97 181.06 1vdy h GLU 119 N 0.69 -0.91 -0.77 0.08 4.39 -1.46 -3.11 114.58 113.49 1vdy h GLU 119 Ca 0.29 0.06 0.02 0.00 0.34 0.00 0.00 59.36 60.07 1vdy h GLU 119 Cb 0.27 0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 1vdy h GLU 119 CO -0.09 -0.61 0.51 1.15 -1.16 0.00 0.00 179.01 178.81 1vdy h THR 120 N -0.97 1.17 -1.05 1.13 2.02 -1.36 -2.43 112.91 111.42 1vdy h THR 120 Ca -0.10 -0.35 0.28 0.00 0.77 0.00 0.00 66.41 67.01 1vdy h THR 120 Cb 0.72 0.07 -0.11 0.00 -1.74 0.00 0.00 68.15 67.09 1vdy h THR 120 CO 0.16 0.19 0.66 0.00 0.37 0.00 0.00 175.52 176.89 1vdy h ALA 121 N 1.53 2.14 0.80 6.16 0.00 -0.82 -0.31 119.26 128.77 1vdy h ALA 121 Ca 0.29 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1vdy h ALA 121 Cb -0.07 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1vdy h ALA 121 CO -0.07 -0.60 -0.39 0.45 0.00 0.00 0.00 179.25 178.64 1vdy h HIS 122 N 0.41 -1.00 -0.93 0.00 3.86 -1.45 -2.83 115.15 113.20 1vdy h HIS 122 Ca 0.64 -0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.95 1vdy h HIS 122 Cb 1.54 0.33 -0.09 0.00 1.06 0.00 0.00 27.41 30.25 1vdy h HIS 122 CO -0.00 -0.61 0.55 0.93 0.86 0.00 0.00 177.93 179.66 1vdy h GLU 123 N -1.17 0.82 -0.00 2.45 4.39 -1.33 -2.05 114.58 117.68 1vdy h GLU 123 Ca -0.11 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.55 1vdy h GLU 123 Cb 0.84 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1vdy h GLU 123 CO 0.18 0.54 -0.05 1.15 -1.16 0.00 0.00 179.01 179.67 1vdy h THR 124 N 0.84 0.87 -0.87 1.13 2.02 -1.06 -2.49 112.91 113.35 1vdy h THR 124 Ca 0.48 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.64 1vdy h THR 124 Cb 0.55 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1vdy h THR 124 CO -0.30 0.00 0.46 0.40 0.37 0.00 0.00 175.52 176.45 1vdy h ILE 125 N -0.09 1.26 -0.69 3.11 1.08 -1.15 -1.83 117.51 119.20 1vdy h ILE 125 Ca 0.02 -0.66 0.15 0.00 -0.39 0.00 0.00 64.86 63.98 1vdy h ILE 125 Cb 0.12 0.10 -0.04 0.00 -3.07 0.00 0.00 36.82 33.93 1vdy h ILE 125 CO -0.06 0.29 0.47 0.28 -0.69 0.00 0.00 178.15 178.45 1vdy h SER 126 N 1.22 0.30 0.10 1.72 0.02 -0.97 -0.03 113.55 115.92 1vdy h SER 126 Ca 0.30 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 61.10 1vdy h SER 126 Cb 0.05 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.56 1vdy h SER 126 CO -0.05 0.16 -0.80 0.00 -1.14 0.00 0.00 176.83 175.00 1vdy h ALA 127 N 1.67 -0.01 -0.22 3.77 0.00 -0.99 -2.07 119.26 121.41 1vdy h ALA 127 Ca 0.34 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1vdy h ALA 127 Cb 0.86 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1vdy h ALA 127 CO -0.09 0.41 -0.02 0.82 0.00 0.00 0.00 179.25 180.37 1vdy h ILE 128 N -0.51 1.15 -0.35 0.00 2.04 -0.79 -2.60 117.51 116.46 1vdy h ILE 128 Ca -0.16 -0.58 -0.18 0.00 1.00 0.00 0.00 64.86 64.93 1vdy h ILE 128 Cb 1.53 1.01 -0.11 0.00 -0.74 0.00 0.00 36.82 38.51 1vdy h ILE 128 CO 0.09 0.19 -0.10 0.49 0.00 0.00 0.00 178.15 178.83 1vdy n PHE 129 N -4.34 1.09 -2.24 1.37 3.01 -0.08 -4.84 117.46 111.43 1vdy n PHE 129 Ca 0.00 -1.63 -0.42 0.00 1.01 0.00 0.00 57.45 56.42 1vdy n PHE 129 Cb 0.20 -0.50 -0.03 0.00 -0.01 0.00 0.00 39.48 39.15 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 -2.57 5.97 0.09 4.37 0.15 -0.78 -4.92 113.70 116.02 1vdy s SER 130 Ca 0.45 0.63 0.06 0.00 0.70 0.00 0.00 55.95 57.79 1vdy s SER 130 Cb 0.41 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 1vdy s SER 130 CO -0.01 -1.76 -0.16 -1.83 1.20 0.00 0.00 173.24 170.68 1vdy s GLU 131 N 5.68 0.94 0.32 5.44 4.04 -1.26 -5.05 118.70 128.81 1vdy s GLU 131 Ca 0.63 -1.06 -0.29 0.00 0.04 0.00 0.00 54.97 54.29 1vdy s GLU 131 Cb -0.14 -1.00 -0.12 0.00 0.02 0.00 0.00 34.13 32.89 1vdy s GLU 131 CO 0.28 0.22 1.37 -1.91 -1.84 0.00 0.00 175.26 173.38 1vdy n GLU 132 N 1.11 2.25 0.00 -4.83 4.07 -1.26 -4.89 120.64 117.08 1vdy n GLU 132 Ca -0.20 0.79 0.11 0.00 -0.06 0.00 0.00 57.16 57.80 1vdy n GLU 132 Cb 0.54 -2.43 0.57 0.00 -0.06 0.00 0.00 31.44 30.06 1vdy n GLU 132 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1vdy n ASN 133 N 1.10 0.00 -3.64 4.31 0.23 -1.26 -4.64 115.26 111.36 1vdy n ASN 133 Ca 0.06 -0.03 -0.17 0.00 -0.53 0.00 0.00 54.58 53.90 1vdy n ASN 133 Cb 0.36 -0.29 -0.15 0.00 -2.08 0.00 0.00 39.78 37.62 1vdy n ASN 133 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1vdy s GLY 134 N -2.57 0.04 0.04 4.83 0.00 -1.26 -4.85 107.32 103.55 1vdy s GLY 134 Ca 0.21 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1vdy s GLY 134 CO 0.34 1.78 0.00 -1.14 0.00 0.00 0.00 173.10 174.08 1vdy n SER 135 N 5.32 -0.14 -1.40 1.64 3.41 -1.26 -5.09 113.62 116.10 1vdy n SER 135 Ca -0.05 0.07 -0.03 0.00 -0.26 0.00 0.00 58.87 58.60 1vdy n SER 135 Cb 0.50 0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 1vdy n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vdy n GLY 136 N 0.85 3.88 0.07 5.00 0.00 -1.26 -4.99 105.19 108.74 1vdy n GLY 136 Ca 0.00 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.35 1vdy n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vdy n PRO 137 N -0.10 0.07 -2.53 1.61 -0.04 -1.26 -1.68 135.00 131.08 1vdy n PRO 137 Ca 0.01 0.51 -0.21 0.00 -0.04 0.00 0.00 63.50 63.77 1vdy n PRO 137 Cb 0.09 -1.71 0.01 0.00 -0.04 0.00 0.00 33.50 31.86 1vdy n PRO 137 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1vdy n SER 138 N -1.85 3.72 -0.34 3.54 7.64 -1.26 -4.95 113.62 120.11 1vdy n SER 138 Ca 0.00 -3.41 0.17 0.00 1.01 0.00 0.00 58.87 56.64 1vdy n SER 138 Cb 0.06 -0.48 0.38 0.00 -1.01 0.00 0.00 64.21 63.16 1vdy n SER 138 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1vdy h SER 139 N 2.70 0.69 0.00 6.43 0.02 -1.67 -3.49 113.55 118.22 1vdy h SER 139 Ca 0.18 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1vdy h SER 139 Cb 1.01 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1vdy h SER 139 CO 0.74 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 177.19