#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy s SER 2 N 0.00 0.36 -1.30 1.61 0.01 -1.26 -4.92 113.70 108.20 1vdy s SER 2 Ca 0.00 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 56.36 1vdy s SER 2 Cb 0.00 0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.49 1vdy s SER 2 CO 0.00 -0.65 0.83 -0.24 0.41 0.00 0.00 173.24 173.59 1vdy n SER 3 N 0.05 -2.00 0.00 2.44 2.88 -1.26 -4.67 113.62 111.06 1vdy n SER 3 Ca -0.14 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 1vdy n SER 3 Cb 0.62 -4.38 0.00 0.00 -0.75 0.00 0.00 64.21 59.70 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 -1.49 -0.82 3.14 0.46 0.00 -1.26 -4.87 105.19 100.35 1vdy n GLY 4 Ca -0.25 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 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 -4.00 -0.01 -1.45 1.61 1.04 -1.26 -4.98 113.70 104.65 1vdy s SER 5 Ca 0.00 0.79 -0.14 0.00 0.48 0.00 0.00 55.95 57.08 1vdy s SER 5 Cb 0.00 0.99 0.04 0.00 0.10 0.00 0.00 66.02 67.15 1vdy s SER 5 CO 0.00 -0.23 2.20 -1.20 0.98 0.00 0.00 173.24 174.99 1vdy n SER 6 N 5.25 3.95 -0.72 7.02 7.64 -1.26 -4.16 113.62 131.33 1vdy n SER 6 Ca -0.09 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1vdy n SER 6 Cb 0.50 -1.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 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 4.14 0.13 0.09 0.23 0.00 -1.26 -4.97 105.19 103.56 1vdy n GLY 7 Ca 0.52 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.33 0.14 -0.37 1.61 2.13 -1.26 -3.35 120.64 119.20 1vdy n GLU 8 Ca 0.00 0.38 0.35 0.00 0.66 0.00 0.00 57.16 58.55 1vdy n GLU 8 Cb 0.09 -1.76 0.70 0.00 0.27 0.00 0.00 31.44 30.74 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 0.11 -1.01 4.31 4.64 -1.95 -1.88 113.55 117.77 1vdy h SER 9 Ca 0.00 0.03 0.24 0.00 -0.47 0.00 0.00 61.79 61.59 1vdy h SER 9 Cb 0.32 0.01 -0.12 0.00 -0.31 0.00 0.00 62.40 62.31 1vdy h SER 9 CO 0.00 0.00 0.60 0.10 -0.87 0.00 0.00 176.83 176.67 1vdy h TYR 10 N 0.09 0.99 0.07 4.77 -0.00 -1.96 -2.13 116.97 118.80 1vdy h TYR 10 Ca 0.63 0.03 0.01 0.00 -0.00 0.00 0.00 58.73 59.41 1vdy h TYR 10 Cb 2.30 -0.29 -0.01 0.00 -0.00 0.00 0.00 36.73 38.73 1vdy h TYR 10 CO -0.00 0.09 -0.10 2.35 -0.00 0.00 0.00 178.16 180.50 1vdy h TRP 11 N 0.60 -0.26 0.47 0.10 -0.00 -1.65 -0.26 115.95 114.96 1vdy h TRP 11 Ca 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.50 1vdy h TRP 11 Cb 1.20 0.11 0.00 0.00 -0.00 0.00 0.00 29.16 30.47 1vdy h TRP 11 CO -0.01 -0.16 -0.23 0.00 -0.00 0.00 0.00 178.44 178.05 1vdy h ARG 12 N -0.21 -0.61 -0.44 2.65 -0.00 -1.61 -3.18 114.38 110.99 1vdy h ARG 12 Ca 0.02 0.04 0.09 0.00 -0.50 0.00 0.00 59.98 59.63 1vdy h ARG 12 Cb 0.22 0.14 -0.09 0.00 0.00 0.00 0.00 29.97 30.24 1vdy h ARG 12 CO -0.05 -0.37 -0.16 0.66 0.00 0.00 0.00 179.97 180.05 1vdy h SER 13 N -0.71 -0.56 -0.92 7.04 4.64 -1.31 -2.21 113.55 119.52 1vdy h SER 13 Ca -0.06 0.15 0.20 0.00 -0.47 0.00 0.00 61.79 61.61 1vdy h SER 13 Cb 0.53 0.33 -0.07 0.00 -0.31 0.00 0.00 62.40 62.87 1vdy h SER 13 CO 0.11 -0.19 0.60 0.03 -0.87 0.00 0.00 176.83 176.51 1vdy h ARG 14 N -0.06 0.44 0.11 4.77 2.47 -1.02 0.20 114.38 121.29 1vdy h ARG 14 Ca 0.21 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 1vdy h ARG 14 Cb 0.39 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1vdy h ARG 14 CO -0.48 0.29 -0.05 0.52 0.56 0.00 0.00 179.97 180.81 1vdy h MET 15 N 0.45 -0.14 -0.56 0.04 2.86 -1.41 -2.77 114.93 113.40 1vdy h MET 15 Ca 0.49 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.13 1vdy h MET 15 Cb 1.14 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 1vdy h MET 15 CO -0.20 0.25 0.31 0.82 1.06 0.00 0.00 176.91 179.15 1vdy h ILE 16 N -0.56 1.18 -0.46 -1.22 1.08 -1.27 -2.89 117.51 113.37 1vdy h ILE 16 Ca -0.01 -0.44 0.08 0.00 -0.39 0.00 0.00 64.86 64.09 1vdy h ILE 16 Cb 0.45 0.46 -0.07 0.00 -3.07 0.00 0.00 36.82 34.59 1vdy h ILE 16 CO 0.02 0.19 0.07 -0.78 -0.69 0.00 0.00 178.15 176.97 1vdy h ASP 17 N 0.75 -0.04 -0.96 1.72 3.58 -0.67 -2.39 116.42 118.41 1vdy h ASP 17 Ca 0.20 0.09 0.19 0.00 0.42 0.00 0.00 57.03 57.93 1vdy h ASP 17 Cb 0.03 0.13 -0.08 0.00 1.72 0.00 0.00 39.33 41.12 1vdy h ASP 17 CO -0.03 0.01 0.61 0.00 -2.88 0.00 0.00 179.24 176.95 1vdy h ALA 18 N 1.37 1.93 -0.25 -0.78 0.00 -1.26 0.30 119.26 120.57 1vdy h ALA 18 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1vdy h ALA 18 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1vdy h ALA 18 CO -0.32 -0.26 0.00 1.33 0.00 0.00 0.00 179.25 180.01 1vdy n VAL 19 N -4.62 0.32 -1.06 0.00 0.24 -0.94 -4.36 118.33 107.91 1vdy n VAL 19 Ca 0.21 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1vdy n VAL 19 Cb 0.62 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 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 0.86 0.01 0.08 3.34 -2.24 0.68 -4.72 114.28 112.29 1vdy n THR 20 Ca 0.17 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1vdy n THR 20 Cb 0.46 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1vdy n THR 20 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1vdy n SER 21 N -0.00 1.42 0.00 3.42 7.64 0.70 -4.70 113.62 122.10 1vdy n SER 21 Ca 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1vdy n SER 21 Cb 0.51 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1vdy n SER 21 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1vdy n ASP 22 N 1.34 -2.75 -4.70 6.43 5.75 -1.26 -4.91 116.55 116.45 1vdy n ASP 22 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 54.79 54.34 1vdy n ASP 22 Cb 0.17 -2.83 -0.03 0.00 -1.03 0.00 0.00 41.12 37.40 1vdy n ASP 22 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1vdy n GLU 23 N -0.48 2.51 0.18 0.11 2.13 -1.26 -4.82 120.64 119.00 1vdy n GLU 23 Ca 0.00 0.91 0.18 0.00 0.66 0.00 0.00 57.16 58.90 1vdy n GLU 23 Cb 0.23 -2.72 0.80 0.00 0.27 0.00 0.00 31.44 30.03 1vdy n GLU 23 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1vdy h ASP 24 N 6.36 0.00 -3.22 4.31 2.03 -2.01 -3.41 116.42 120.48 1vdy h ASP 24 Ca -0.44 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.29 1vdy h ASP 24 Cb 1.22 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.67 1vdy h ASP 24 CO 0.92 0.00 0.97 -0.75 -1.03 0.00 0.00 179.24 179.35 1vdy s LYS 25 N -4.66 3.87 0.20 4.15 2.47 -1.26 -4.99 119.74 119.52 1vdy s LYS 25 Ca -0.05 1.14 -0.32 0.00 -1.56 0.00 0.00 55.97 55.19 1vdy s LYS 25 Cb 0.16 -3.89 -0.11 0.00 -1.46 0.00 0.00 37.83 32.53 1vdy s LYS 25 CO 0.56 -1.17 1.67 0.54 0.16 0.00 0.00 175.35 177.11 1vdy s VAL 26 N 4.45 2.19 0.07 4.02 0.11 -1.26 -4.85 120.40 125.12 1vdy s VAL 26 Ca 0.55 0.14 -0.37 0.00 -2.93 0.00 0.00 61.98 59.37 1vdy s VAL 26 Cb -0.15 -3.09 -0.18 0.00 -1.53 0.00 0.00 36.38 31.43 1vdy s VAL 26 CO 0.24 0.01 1.07 0.00 -3.33 0.00 0.00 175.10 173.10 1vdy n ALA 27 N 3.84 -2.58 -1.79 1.54 0.00 -1.26 -4.96 120.51 115.29 1vdy n ALA 27 Ca 0.15 0.54 -0.33 0.00 0.00 0.00 0.00 53.44 53.80 1vdy n ALA 27 Cb 0.36 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 17.93 1vdy n ALA 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vdy s PRO 28 N -0.08 3.87 0.26 0.00 0.04 -1.26 -4.97 135.00 132.86 1vdy s PRO 28 Ca 0.84 1.13 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 1vdy s PRO 28 Cb -1.10 -2.12 0.39 0.00 0.04 0.00 0.00 34.50 31.71 1vdy s PRO 28 CO 0.54 -0.35 1.88 0.28 0.04 0.00 0.00 177.00 179.40 1vdy h VAL 29 N 1.22 1.10 -0.64 -0.36 2.07 -2.00 -2.31 116.25 115.32 1vdy h VAL 29 Ca -0.48 -0.40 0.09 0.00 0.82 0.00 0.00 66.70 66.73 1vdy h VAL 29 Cb 1.20 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1vdy h VAL 29 CO 0.60 0.21 0.43 0.10 0.02 0.00 0.00 177.57 178.93 1vdy h TYR 30 N 1.18 0.53 -0.23 1.57 -0.00 -1.99 -0.12 116.97 117.90 1vdy h TYR 30 Ca 0.43 0.01 -0.19 0.00 0.00 0.00 0.00 58.73 58.98 1vdy h TYR 30 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 36.71 1vdy h TYR 30 CO -0.00 0.25 -0.61 0.87 -0.00 0.00 0.00 178.16 178.67 1vdy h LYS 31 N 0.50 0.82 -0.44 0.10 1.79 -1.81 -2.78 116.57 114.76 1vdy h LYS 31 Ca 0.30 -0.58 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 1vdy h LYS 31 Cb 0.50 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1vdy h LYS 31 CO -0.09 1.20 0.22 -0.07 -1.08 0.00 0.00 179.45 179.63 1vdy h LEU 32 N 0.58 0.56 -1.12 2.94 3.38 -1.16 -2.92 115.31 117.57 1vdy h LEU 32 Ca -0.01 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1vdy h LEU 32 Cb 1.23 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1vdy h LEU 32 CO 0.13 0.52 0.60 -0.33 0.09 0.00 0.00 178.44 179.45 1vdy h GLU 33 N 0.57 1.09 -0.37 1.13 5.08 -1.07 -1.52 114.58 119.49 1vdy h GLU 33 Ca 0.15 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1vdy h GLU 33 Cb 0.10 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1vdy h GLU 33 CO -0.02 0.72 0.12 0.93 -1.00 0.00 0.00 179.01 179.76 1vdy h GLU 34 N 1.13 0.57 0.08 2.33 5.08 -1.31 -0.37 114.58 122.08 1vdy h GLU 34 Ca 0.37 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1vdy h GLU 34 Cb 0.05 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1vdy h GLU 34 CO -0.12 0.58 -0.04 0.82 -1.00 0.00 0.00 179.01 179.26 1vdy h ILE 35 N 0.45 0.97 -0.85 3.13 2.04 -1.28 -0.05 117.51 121.91 1vdy h ILE 35 Ca 0.12 -0.16 0.13 0.00 1.00 0.00 0.00 64.86 65.95 1vdy h ILE 35 Cb 0.25 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 1vdy h ILE 35 CO -0.00 0.04 0.55 0.00 0.00 0.00 0.00 178.15 178.74 1vdy h ASP 37 N 0.67 -0.29 -0.97 0.00 3.32 -0.65 -3.28 116.42 115.23 1vdy h ASP 37 Ca 0.42 -0.24 0.08 0.00 0.02 0.00 0.00 57.03 57.31 1vdy h ASP 37 Cb 0.66 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.22 1vdy h ASP 37 CO -0.18 0.18 0.62 -0.07 -1.72 0.00 0.00 179.24 178.07 1vdy h LEU 38 N -0.87 0.96 -1.17 1.55 -0.00 -0.58 -1.42 115.31 113.78 1vdy h LEU 38 Ca -0.04 0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.00 1vdy h LEU 38 Cb 0.51 -0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 40.91 1vdy h LEU 38 CO 0.06 0.59 0.60 -0.07 -0.00 0.00 0.00 178.44 179.61 1vdy h LEU 39 N 1.07 0.77 -0.37 1.67 3.38 -0.91 0.73 115.31 121.64 1vdy h LEU 39 Ca 0.43 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.26 1vdy h LEU 39 Cb 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1vdy h LEU 39 CO -0.18 0.40 -0.63 0.03 0.09 0.00 0.00 178.44 178.15 1vdy h ARG 40 N 0.81 0.66 0.00 1.13 3.08 -1.32 -3.06 114.38 115.69 1vdy h ARG 40 Ca 0.47 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1vdy h ARG 40 Cb 0.62 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1vdy h ARG 40 CO -0.23 1.08 0.00 0.43 -1.07 0.00 0.00 179.97 180.18 1vdy n SER 41 N -3.94 0.00 -4.60 7.04 7.64 -0.50 -4.77 113.62 114.48 1vdy n SER 41 Ca -0.05 0.18 -0.34 0.00 1.01 0.00 0.00 58.87 59.67 1vdy n SER 41 Cb 0.66 -0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 63.37 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1vdy s SER 42 N -2.76 4.91 0.94 6.43 0.01 0.13 -5.07 113.70 118.29 1vdy s SER 42 Ca 0.19 0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.35 1vdy s SER 42 Cb 0.17 -1.45 0.10 0.00 0.21 0.00 0.00 66.02 65.05 1vdy s SER 42 CO 0.43 0.32 0.77 1.57 0.41 0.00 0.00 173.24 176.73 1vdy n HIS 43 N 2.55 -0.34 -0.34 2.43 -0.00 -1.26 -4.60 115.22 113.66 1vdy n HIS 43 Ca -0.18 0.31 0.12 0.00 0.46 0.00 0.00 57.72 58.42 1vdy n HIS 43 Cb 0.53 -1.88 0.31 0.00 -0.12 0.00 0.00 29.99 28.83 1vdy n HIS 43 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 1vdy h VAL 44 N -1.75 0.78 -0.16 3.57 3.04 -1.97 0.12 116.25 119.88 1vdy h VAL 44 Ca -0.44 -0.28 0.05 0.00 -1.01 0.00 0.00 66.70 65.02 1vdy h VAL 44 Cb 1.28 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1vdy h VAL 44 CO 0.38 0.15 0.19 0.77 -1.01 0.00 0.00 177.57 178.05 1vdy h SER 45 N 0.81 0.00 0.12 3.17 4.64 -2.00 -0.85 113.55 119.44 1vdy h SER 45 Ca 0.54 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.52 1vdy h SER 45 Cb 0.79 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1vdy h SER 45 CO -0.32 0.00 -1.79 0.40 -0.87 0.00 0.00 176.83 174.25 1vdy h ILE 46 N 0.00 0.77 -0.80 0.95 1.08 -1.09 -3.13 117.51 115.29 1vdy h ILE 46 Ca 0.08 -2.36 0.07 0.00 -0.39 0.00 0.00 64.86 62.26 1vdy h ILE 46 Cb 0.46 2.55 -0.05 0.00 -3.07 0.00 0.00 36.82 36.71 1vdy h ILE 46 CO -0.00 0.80 0.52 0.58 -0.69 0.00 0.00 178.15 179.37 1vdy h VAL 47 N -0.09 1.02 0.40 1.67 2.07 -0.66 0.44 116.25 121.10 1vdy h VAL 47 Ca -0.39 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1vdy h VAL 47 Cb 1.93 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1vdy h VAL 47 CO 0.07 0.15 -0.19 0.11 0.02 0.00 0.00 177.57 177.73 1vdy h LYS 48 N 0.84 -0.52 -0.78 1.57 1.57 -1.36 -1.85 116.57 116.04 1vdy h LYS 48 Ca 0.35 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.27 1vdy h LYS 48 Cb 0.28 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 1vdy h LYS 48 CO -0.13 -0.27 0.41 0.93 -0.57 0.00 0.00 179.45 179.82 1vdy h GLU 49 N -0.67 0.66 -0.71 3.15 4.39 -1.28 -0.83 114.58 119.29 1vdy h GLU 49 Ca -0.06 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.61 1vdy h GLU 49 Cb 0.49 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 1vdy h GLU 49 CO 0.09 0.44 0.47 0.74 -1.16 0.00 0.00 179.01 179.59 1vdy h PHE 50 N 0.68 0.90 -0.22 4.33 -1.00 -0.80 -0.16 116.94 120.67 1vdy h PHE 50 Ca 0.38 0.02 0.04 0.00 2.81 0.00 0.00 57.97 61.23 1vdy h PHE 50 Cb 0.40 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.62 1vdy h PHE 50 CO -0.09 0.57 -0.04 0.77 -1.61 0.00 0.00 178.31 177.92 1vdy h SER 51 N 0.97 -0.17 -0.21 2.17 0.02 -0.31 -0.71 113.55 115.31 1vdy h SER 51 Ca 0.26 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1vdy h SER 51 Cb -0.11 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1vdy h SER 51 CO -0.06 -0.06 0.13 -0.33 -1.14 0.00 0.00 176.83 175.37 1vdy h GLU 52 N 0.02 0.28 -0.51 3.45 4.39 -0.95 -2.20 114.58 119.06 1vdy h GLU 52 Ca 0.11 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1vdy h GLU 52 Cb 0.16 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1vdy h GLU 52 CO -0.21 0.23 0.32 0.74 -1.16 0.00 0.00 179.01 178.92 1vdy h PHE 53 N 0.25 0.66 -0.40 4.33 0.04 -0.73 -0.31 116.94 120.79 1vdy h PHE 53 Ca 0.07 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.88 1vdy h PHE 53 Cb 0.02 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.92 1vdy h PHE 53 CO -0.05 0.45 0.19 0.82 -0.60 0.00 0.00 178.31 179.12 1vdy h ILE 54 N 0.68 0.96 -0.79 -0.55 2.04 -0.95 -2.67 117.51 116.22 1vdy h ILE 54 Ca 0.18 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 1vdy h ILE 54 Cb -0.03 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1vdy h ILE 54 CO -0.04 0.07 0.31 -0.07 0.00 0.00 0.00 178.15 178.43 1vdy h LEU 55 N 0.39 1.10 -1.54 1.44 3.38 -0.90 -2.64 115.31 116.55 1vdy h LEU 55 Ca 0.17 -0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.15 1vdy h LEU 55 Cb 0.10 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1vdy h LEU 55 CO -0.13 0.98 0.56 0.11 0.09 0.00 0.00 178.44 180.04 1vdy h LYS 56 N 1.16 0.40 -0.74 1.13 1.79 -0.71 -0.93 116.57 118.68 1vdy h LYS 56 Ca 0.26 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1vdy h LYS 56 Cb 0.22 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 1vdy h LYS 56 CO -0.02 0.27 0.44 0.00 -1.08 0.00 0.00 179.45 179.05 1vdy h ARG 57 N 0.41 1.00 -0.00 3.15 2.47 -1.41 -2.70 114.38 117.31 1vdy h ARG 57 Ca 0.43 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1vdy h ARG 57 Cb 1.03 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1vdy h ARG 57 CO -0.15 0.71 0.00 -0.07 0.56 0.00 0.00 179.97 181.02 1vdy h LEU 58 N 1.01 0.00 -0.29 3.04 4.07 -1.27 -1.85 115.31 120.01 1vdy h LEU 58 Ca 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.17 1vdy h LEU 58 Cb -0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1vdy h LEU 58 CO -0.05 0.00 -0.23 -0.78 -1.08 0.00 0.00 178.44 176.30 1vdy h ASP 59 N 0.00 0.00 -3.90 -0.43 3.58 -1.54 -3.46 116.42 110.67 1vdy h ASP 59 Ca 0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 1vdy h ASP 59 Cb 0.00 0.00 0.13 0.00 1.72 0.00 0.00 39.33 41.19 1vdy h ASP 59 CO -0.00 0.23 0.59 -3.20 -2.88 0.00 0.00 179.24 173.98 1vdy n ASN 60 N -3.20 2.74 -0.31 2.28 2.85 -0.70 -4.93 115.26 114.00 1vdy n ASN 60 Ca 0.02 1.03 -0.02 0.00 -0.11 0.00 0.00 54.58 55.50 1vdy n ASN 60 Cb 0.58 -1.56 0.13 0.00 1.24 0.00 0.00 39.78 40.17 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 1.74 1.20 -6.94 1.20 1.63 -1.89 -3.45 116.57 110.05 1vdy h LYS 61 Ca -0.50 -0.12 -0.52 0.00 -0.85 0.00 0.00 60.65 58.66 1vdy h LYS 61 Cb 1.30 -0.25 0.08 0.00 -0.60 0.00 0.00 32.23 32.75 1vdy h LYS 61 CO 0.58 0.85 0.59 -1.12 -3.45 0.00 0.00 179.45 176.90 1vdy s SER 62 N -6.26 6.37 0.20 4.20 0.01 -1.26 -4.97 113.70 111.99 1vdy s SER 62 Ca -0.12 2.59 -0.04 0.00 1.31 0.00 0.00 55.95 59.68 1vdy s SER 62 Cb 0.17 -2.63 0.15 0.00 0.21 0.00 0.00 66.02 63.92 1vdy s SER 62 CO 0.82 -0.80 1.57 1.55 0.41 0.00 0.00 173.24 176.78 1vdy h PRO 63 N 2.69 0.68 0.42 12.44 0.13 -1.90 -3.20 132.00 143.26 1vdy h PRO 63 Ca -0.49 -0.34 -0.01 0.00 -0.87 0.00 0.00 66.00 64.28 1vdy h PRO 63 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1vdy h PRO 63 CO 0.63 0.95 -0.49 0.82 -0.23 0.00 0.00 178.00 179.68 1vdy h ILE 64 N 0.56 0.00 -0.87 -3.56 2.04 -1.93 -2.34 117.51 111.41 1vdy h ILE 64 Ca 0.05 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.12 1vdy h ILE 64 Cb 0.91 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.83 1vdy h ILE 64 CO 0.08 0.00 0.00 0.58 0.00 0.00 0.00 178.15 178.81 1vdy h VAL 65 N -0.92 0.19 0.36 1.67 2.07 -1.87 -0.63 116.25 117.13 1vdy h VAL 65 Ca -0.05 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1vdy h VAL 65 Cb 0.82 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1vdy h VAL 65 CO -0.10 0.01 -0.29 0.11 0.02 0.00 0.00 177.57 177.32 1vdy h LYS 66 N 0.07 -0.61 -0.96 1.57 1.57 -1.45 -2.80 116.57 113.95 1vdy h LYS 66 Ca 0.49 0.04 0.24 0.00 -1.87 0.00 0.00 60.65 59.55 1vdy h LYS 66 Cb 0.92 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 33.25 1vdy h LYS 66 CO -0.79 -0.41 0.52 0.37 -0.57 0.00 0.00 179.45 178.57 1vdy h GLN 67 N -0.63 0.49 -0.64 3.15 -0.00 -0.71 -0.29 115.11 116.47 1vdy h GLN 67 Ca -0.05 -0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.66 1vdy h GLN 67 Cb 0.53 -0.11 -0.07 0.00 0.00 0.00 0.00 27.48 27.83 1vdy h GLN 67 CO 0.00 0.32 0.29 0.87 0.00 0.00 0.00 178.83 180.32 1vdy h LYS 68 N 0.50 0.50 -0.32 1.69 1.57 -0.91 -1.61 116.57 118.00 1vdy h LYS 68 Ca 0.62 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 59.25 1vdy h LYS 68 Cb 1.18 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1vdy h LYS 68 CO -0.50 0.33 -0.26 0.00 -0.57 0.00 0.00 179.45 178.46 1vdy h ALA 69 N 1.40 0.46 -0.40 3.86 0.00 -0.91 -3.07 119.26 120.60 1vdy h ALA 69 Ca 0.31 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1vdy h ALA 69 Cb 0.33 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 1vdy h ALA 69 CO -0.26 0.46 -0.30 -0.07 0.00 0.00 0.00 179.25 179.07 1vdy h LEU 70 N 0.50 -0.99 -0.20 0.00 -0.00 -0.70 0.12 115.31 114.04 1vdy h LEU 70 Ca 0.06 0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 58.11 1vdy h LEU 70 Cb 0.82 0.48 -0.01 0.00 -0.00 0.00 0.00 40.66 41.95 1vdy h LEU 70 CO 0.07 -0.30 0.08 -0.09 -0.00 0.00 0.00 178.44 178.20 1vdy h ARG 71 N -0.23 0.30 -1.01 1.13 2.43 -1.55 -2.98 114.38 112.47 1vdy h ARG 71 Ca 0.18 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1vdy h ARG 71 Cb 0.52 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 1vdy h ARG 71 CO -0.53 0.35 0.65 1.25 -1.51 0.00 0.00 179.97 180.18 1vdy h LEU 72 N 0.18 1.02 0.27 3.80 5.85 -1.25 -0.07 115.31 125.12 1vdy h LEU 72 Ca 0.07 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1vdy h LEU 72 Cb 0.16 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1vdy h LEU 72 CO -0.01 0.63 -0.20 0.40 -0.34 0.00 0.00 178.44 178.93 1vdy h ILE 73 N 1.15 0.58 -0.55 4.05 2.04 -0.88 0.27 117.51 124.15 1vdy h ILE 73 Ca 0.45 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.25 1vdy h ILE 73 Cb 0.23 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1vdy h ILE 73 CO -0.19 0.00 0.13 0.07 0.00 0.00 0.00 178.15 178.16 1vdy h LYS 74 N -0.47 0.89 -0.58 2.37 2.10 -1.31 0.44 116.57 120.01 1vdy h LYS 74 Ca -0.02 -0.21 -0.02 0.00 -2.00 0.00 0.00 60.65 58.40 1vdy h LYS 74 Cb 0.41 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 31.60 1vdy h LYS 74 CO -0.00 0.83 0.30 -0.92 -2.00 0.00 0.00 179.45 177.65 1vdy h TYR 75 N 0.79 0.82 0.41 0.07 5.03 -0.85 -3.19 116.97 120.05 1vdy h TYR 75 Ca 0.17 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 1vdy h TYR 75 Cb 0.34 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.37 1vdy h TYR 75 CO 0.02 0.62 -0.20 0.00 -1.32 0.00 0.00 178.16 177.28 1vdy h ALA 76 N 1.13 -0.55 -2.96 1.82 0.00 -0.19 -3.42 119.26 115.09 1vdy h ALA 76 Ca 0.20 -0.16 -0.54 0.00 0.00 0.00 0.00 54.91 54.41 1vdy h ALA 76 Cb 0.09 0.21 0.11 0.00 0.00 0.00 0.00 17.79 18.20 1vdy h ALA 76 CO -0.03 -0.74 0.75 0.54 0.00 0.00 0.00 179.25 179.77 1vdy s VAL 77 N -5.50 2.08 0.00 0.00 0.11 0.12 -1.75 120.40 115.46 1vdy s VAL 77 Ca -0.15 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1vdy s VAL 77 Cb 0.03 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.84 1vdy s VAL 77 CO 0.59 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 1vdy n GLY 78 N 0.51 3.21 0.00 6.54 0.00 -1.26 -4.77 105.19 109.42 1vdy n GLY 78 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1vdy n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vdy n LYS 79 N -0.95 2.23 0.10 1.61 2.85 -1.11 -4.81 118.16 118.08 1vdy n LYS 79 Ca 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 1vdy n LYS 79 Cb 0.00 -0.82 0.10 0.00 -0.65 0.00 0.00 35.03 33.66 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 0.14 -3.56 -5.58 0.02 -1.62 -3.48 113.55 99.47 1vdy h SER 80 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1vdy h SER 80 Cb 0.15 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1vdy h SER 80 CO 0.00 0.78 0.00 0.61 -1.14 0.00 0.00 176.83 177.08 1vdy n GLY 81 N 0.45 4.36 0.34 -3.77 0.00 -1.26 -4.21 105.19 101.09 1vdy n GLY 81 Ca -0.02 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.69 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 0.84 -0.60 1.61 0.02 -1.96 -1.96 113.55 111.50 1vdy h SER 82 Ca 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1vdy h SER 82 Cb 0.00 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1vdy h SER 82 CO 0.00 0.47 0.26 -0.33 -1.14 0.00 0.00 176.83 176.09 1vdy h GLU 83 N 0.93 0.92 -0.73 3.45 4.39 -2.00 -1.65 114.58 119.90 1vdy h GLU 83 Ca 0.44 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.97 1vdy h GLU 83 Cb 0.39 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1vdy h GLU 83 CO -0.24 0.74 0.31 0.35 -1.16 0.00 0.00 179.01 179.01 1vdy h PHE 84 N 0.91 1.06 0.94 4.33 3.57 -1.70 -1.99 116.94 124.06 1vdy h PHE 84 Ca 0.22 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1vdy h PHE 84 Cb 0.16 -0.33 0.01 0.00 2.79 0.00 0.00 35.95 38.58 1vdy h PHE 84 CO 0.01 0.79 -0.45 -0.09 -2.23 0.00 0.00 178.31 176.34 1vdy h ARG 85 N 1.04 -1.22 -0.20 1.11 2.43 -1.23 -2.42 114.38 113.89 1vdy h ARG 85 Ca 0.25 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.56 1vdy h ARG 85 Cb 0.16 0.28 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 1vdy h ARG 85 CO -0.03 -0.81 -0.31 0.00 -1.51 0.00 0.00 179.97 177.31 1vdy h ARG 86 N -1.27 -0.33 -0.74 0.20 2.47 -1.32 -1.30 114.38 112.09 1vdy h ARG 86 Ca -0.13 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1vdy h ARG 86 Cb 0.97 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.33 1vdy h ARG 86 CO 0.21 -0.22 0.46 0.93 0.56 0.00 0.00 179.97 181.91 1vdy h GLU 87 N -0.35 0.99 -0.70 0.04 4.39 -1.43 -1.62 114.58 115.90 1vdy h GLU 87 Ca 0.12 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1vdy h GLU 87 Cb 0.53 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1vdy h GLU 87 CO -0.40 0.68 0.26 1.98 -1.16 0.00 0.00 179.01 180.37 1vdy h MET 88 N 1.01 1.06 -0.58 2.33 4.05 -0.74 -2.64 114.93 119.43 1vdy h MET 88 Ca 0.27 -0.21 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1vdy h MET 88 Cb -0.06 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 30.54 1vdy h MET 88 CO -0.05 0.89 0.36 1.96 0.23 0.00 0.00 176.91 180.30 1vdy h GLN 89 N 1.01 0.69 -0.78 0.39 4.20 -0.54 -0.83 115.11 119.26 1vdy h GLN 89 Ca 0.23 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1vdy h GLN 89 Cb 0.24 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1vdy h GLN 89 CO -0.02 0.46 0.49 -0.09 -0.67 0.00 0.00 178.83 179.00 1vdy h ARG 90 N 0.71 1.05 -0.42 1.46 2.43 -1.06 -2.85 114.38 115.70 1vdy h ARG 90 Ca 0.23 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 1vdy h ARG 90 Cb -0.01 -0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 29.24 1vdy h ARG 90 CO -0.09 0.72 0.06 0.09 -1.51 0.00 0.00 179.97 179.24 1vdy n ASN 91 N -4.39 3.65 0.00 -3.80 3.02 -1.02 -4.72 115.26 108.00 1vdy n ASN 91 Ca 0.08 -3.32 0.03 0.00 -0.03 0.00 0.00 54.58 51.35 1vdy n ASN 91 Cb 0.05 -0.63 0.16 0.00 -0.61 0.00 0.00 39.78 38.76 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 -0.65 0.00 0.23 6.41 3.41 -0.35 -3.21 113.62 119.45 1vdy n SER 92 Ca 0.31 0.38 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 1vdy n SER 92 Cb 1.08 -0.42 0.78 0.00 -0.26 0.00 0.00 64.21 65.39 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 0.69 -0.74 -3.33 3.04 -1.85 -1.40 116.25 112.65 1vdy h VAL 93 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 1vdy h VAL 93 Cb 0.10 0.93 -0.04 0.00 -2.01 0.00 0.00 31.29 30.27 1vdy h VAL 93 CO 0.00 0.00 0.49 0.00 -1.01 0.00 0.00 177.57 177.05 1vdy h ALA 94 N 1.91 1.46 0.12 3.17 0.00 -1.96 -0.08 119.26 123.88 1vdy h ALA 94 Ca 0.05 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1vdy h ALA 94 Cb 0.25 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1vdy h ALA 94 CO -0.00 0.50 -1.05 0.28 0.00 0.00 0.00 179.25 178.98 1vdy h VAL 95 N 1.01 1.30 -0.77 0.00 2.07 -1.56 -3.35 116.25 114.95 1vdy h VAL 95 Ca 0.27 -2.46 0.06 0.00 0.82 0.00 0.00 66.70 65.39 1vdy h VAL 95 Cb -0.11 2.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.58 1vdy h VAL 95 CO -0.06 0.69 0.51 0.03 0.02 0.00 0.00 177.57 178.76 1vdy h ARG 96 N -0.39 0.82 0.00 1.57 3.08 -1.09 -0.74 114.38 117.63 1vdy h ARG 96 Ca -0.21 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1vdy h ARG 96 Cb 1.65 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1vdy h ARG 96 CO 0.09 0.54 0.00 0.27 -1.07 0.00 0.00 179.97 179.81 1vdy n ASN 97 N -4.48 0.39 0.09 7.04 0.23 -0.07 -2.63 115.26 115.83 1vdy n ASN 97 Ca 0.11 0.57 0.13 0.00 -0.53 0.00 0.00 54.58 54.87 1vdy n ASN 97 Cb 0.20 -0.67 0.45 0.00 -2.08 0.00 0.00 39.78 37.68 1vdy n ASN 97 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1vdy n LEU 98 N -1.91 0.65 0.00 -4.53 4.77 -0.28 -3.34 117.00 112.35 1vdy n LEU 98 Ca 0.04 0.57 0.05 0.00 -0.03 0.00 0.00 56.01 56.64 1vdy n LEU 98 Cb 0.26 -0.37 0.28 0.00 -2.33 0.00 0.00 43.42 41.26 1vdy n LEU 98 CO 0.21 -0.17 0.56 0.49 -1.33 0.00 0.00 177.39 177.15 1vdy n PHE 99 N -2.11 0.00 -0.73 -1.77 3.72 -1.08 -1.63 117.46 113.86 1vdy n PHE 99 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1vdy n PHE 99 Cb 0.40 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1vdy n PHE 99 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1vdy n HIS 100 N -1.14 0.00 -2.04 1.38 1.44 -1.21 -5.10 115.22 108.56 1vdy n HIS 100 Ca 0.06 -0.09 -0.40 0.00 -2.01 0.00 0.00 57.72 55.28 1vdy n HIS 100 Cb 0.06 -0.01 -0.01 0.00 0.12 0.00 0.00 29.99 30.15 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 -0.18 2.87 0.00 -1.40 6.14 -0.65 -4.92 117.35 119.22 1vdy s TYR 101 Ca 0.00 1.38 0.00 0.00 0.64 0.00 0.00 57.07 59.09 1vdy s TYR 101 Cb 0.00 -3.73 0.00 0.00 0.42 0.00 0.00 41.96 38.65 1vdy s TYR 101 CO 0.00 -2.14 0.00 0.36 0.64 0.00 0.00 175.55 174.41 1vdy n LYS 102 N 0.42 0.00 0.00 4.97 2.85 -1.26 -4.95 118.16 120.19 1vdy n LYS 102 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1vdy n LYS 102 Cb 0.42 -0.26 0.00 0.00 -0.65 0.00 0.00 35.03 34.54 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 0.00 1.41 3.63 2.58 0.00 -1.26 -4.51 105.19 107.05 1vdy n GLY 103 Ca 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 46.02 46.46 1vdy n GLY 103 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vdy s HIS 104 N 0.00 -0.90 0.83 1.61 -3.43 -1.26 -5.18 115.29 106.96 1vdy s HIS 104 Ca 0.00 2.01 -0.12 0.00 -0.80 0.00 0.00 55.06 56.16 1vdy s HIS 104 Cb 0.00 0.42 0.09 0.00 -1.43 0.00 0.00 32.58 31.66 1vdy s HIS 104 CO 0.00 -0.44 1.10 -1.25 -2.00 0.00 0.00 174.74 172.15 1vdy s PRO 105 N 0.89 1.79 0.14 -0.38 0.04 -1.26 -4.91 135.00 131.31 1vdy s PRO 105 Ca -0.04 0.59 0.09 0.00 0.04 0.00 0.00 61.00 61.68 1vdy s PRO 105 Cb -0.05 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1vdy s PRO 105 CO -0.07 -1.82 -0.13 -0.51 0.04 0.00 0.00 177.00 174.51 1vdy s ASP 106 N -3.86 4.14 0.00 6.66 1.01 -0.12 -4.96 116.67 119.53 1vdy s ASP 106 Ca 0.62 -0.53 0.19 0.00 0.71 0.00 0.00 52.55 53.54 1vdy s ASP 106 Cb -0.15 -0.67 1.16 0.00 1.01 0.00 0.00 42.92 44.27 1vdy s ASP 106 CO 0.54 0.15 1.67 -0.81 0.21 0.00 0.00 175.17 176.94 1vdy n PRO 107 N 0.47 0.89 0.04 8.23 -0.04 -1.26 -2.20 135.00 141.13 1vdy n PRO 107 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1vdy n PRO 107 Cb 0.54 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1vdy n PRO 107 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1vdy n LEU 108 N -0.84 0.25 0.15 1.53 4.32 -1.26 -4.88 117.00 116.26 1vdy n LEU 108 Ca 0.15 0.12 0.13 0.00 -0.02 0.00 0.00 56.01 56.39 1vdy n LEU 108 Cb 0.07 -0.01 0.46 0.00 -1.62 0.00 0.00 43.42 42.32 1vdy n LEU 108 CO 0.11 -0.62 0.88 0.11 -1.22 0.00 0.00 177.39 176.65 1vdy h LYS 109 N 0.00 0.00 0.00 3.23 1.79 -1.99 -3.49 116.57 116.11 1vdy h LYS 109 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1vdy h LYS 109 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1vdy h LYS 109 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1vdy n GLY 110 N 0.55 3.66 0.66 3.86 0.00 -0.93 -2.09 105.19 110.89 1vdy n GLY 110 Ca 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 8.85 2.52 0.14 1.61 -0.08 -1.26 -0.94 116.55 127.39 1vdy n ASP 111 Ca 0.00 -1.73 -0.14 0.00 -1.51 0.00 0.00 54.79 51.41 1vdy n ASP 111 Cb 0.00 -0.10 -0.08 0.00 2.34 0.00 0.00 41.12 43.28 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1vdy h ALA 112 N 2.75 -0.97 -0.76 -1.67 0.00 -1.84 -1.23 119.26 115.54 1vdy h ALA 112 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1vdy h ALA 112 Cb 0.66 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1vdy h ALA 112 CO 0.00 -1.05 0.39 -0.07 0.00 0.00 0.00 179.25 178.52 1vdy h LEU 113 N -0.68 0.98 -0.98 0.00 4.07 -1.87 -1.62 115.31 115.22 1vdy h LEU 113 Ca -0.02 -0.12 0.09 0.00 0.08 0.00 0.00 57.88 57.91 1vdy h LEU 113 Cb 0.64 -0.25 -0.07 0.00 1.08 0.00 0.00 40.66 42.06 1vdy h LEU 113 CO -0.17 0.82 0.62 0.78 -1.08 0.00 0.00 178.44 179.41 1vdy h ASN 114 N 1.07 0.95 0.55 -0.43 2.35 -1.84 -2.41 115.58 115.81 1vdy h ASN 114 Ca 0.26 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1vdy h ASN 114 Cb 0.08 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.29 1vdy h ASN 114 CO -0.04 0.56 -0.27 0.50 -1.65 0.00 0.00 177.43 176.54 1vdy h LYS 115 N 1.06 -0.71 -0.69 0.81 1.63 -0.43 -3.26 116.57 114.97 1vdy h LYS 115 Ca 0.45 0.05 0.25 0.00 -0.85 0.00 0.00 60.65 60.55 1vdy h LYS 115 Cb 0.31 0.16 -0.13 0.00 -0.60 0.00 0.00 32.23 31.98 1vdy h LYS 115 CO -0.22 -0.41 0.24 0.00 -3.45 0.00 0.00 179.45 175.61 1vdy n ALA 116 N -2.53 0.58 0.01 5.00 0.00 -0.68 -0.93 120.51 121.96 1vdy n ALA 116 Ca -0.12 0.72 -0.01 0.00 0.00 0.00 0.00 53.44 54.03 1vdy n ALA 116 Cb 0.33 -0.64 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 1vdy n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vdy h VAL 117 N 0.00 0.00 -0.24 0.00 2.07 -1.58 -2.50 116.25 114.00 1vdy h VAL 117 Ca 0.53 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.99 1vdy h VAL 117 Cb 1.30 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1vdy h VAL 117 CO -0.57 0.00 -0.07 0.08 0.02 0.00 0.00 177.57 177.03 1vdy h ARG 118 N -0.04 0.38 -0.10 1.57 -0.00 -1.27 -1.14 114.38 113.79 1vdy h ARG 118 Ca -0.00 -0.09 0.03 0.00 -0.00 0.00 0.00 59.98 59.92 1vdy h ARG 118 Cb 0.03 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.97 29.95 1vdy h ARG 118 CO -0.00 0.47 0.13 0.93 -0.00 0.00 0.00 179.97 181.50 1vdy h GLU 119 N 0.37 0.00 0.00 0.08 4.39 -0.97 -1.37 114.58 117.08 1vdy h GLU 119 Ca 0.08 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.42 1vdy h GLU 119 Cb 0.36 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.94 1vdy h GLU 119 CO 0.02 0.00 -2.35 2.41 -1.16 0.00 0.00 179.01 177.92 1vdy n THR 120 N -3.67 1.36 -0.14 1.13 -1.04 -0.95 -4.50 114.28 106.47 1vdy n THR 120 Ca -0.00 -0.64 0.17 0.00 -2.04 0.00 0.00 64.05 61.54 1vdy n THR 120 Cb 0.23 -1.03 0.55 0.00 -1.82 0.00 0.00 70.33 68.26 1vdy n THR 120 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vdy h ALA 121 N 0.36 2.23 -0.20 2.41 0.00 -0.14 -1.29 119.26 122.63 1vdy h ALA 121 Ca -0.53 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1vdy h ALA 121 Cb 1.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1vdy h ALA 121 CO -0.04 -0.43 0.12 0.45 0.00 0.00 0.00 179.25 179.34 1vdy h HIS 122 N 0.32 0.27 -0.42 0.00 -0.00 -1.62 -2.08 115.15 111.63 1vdy h HIS 122 Ca 0.36 -0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.60 1vdy h HIS 122 Cb 0.95 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.26 1vdy h HIS 122 CO -0.00 0.23 -0.26 0.93 -0.00 0.00 0.00 177.93 178.84 1vdy h GLU 123 N 0.23 0.88 -0.23 2.45 5.08 -1.54 -3.11 114.58 118.35 1vdy h GLU 123 Ca 0.07 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1vdy h GLU 123 Cb 0.05 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1vdy h GLU 123 CO -0.01 1.03 0.02 1.15 -1.00 0.00 0.00 179.01 180.20 1vdy h THR 124 N 0.75 0.87 -0.71 1.13 2.02 -1.00 -1.55 112.91 114.42 1vdy h THR 124 Ca 0.09 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1vdy h THR 124 Cb 0.81 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1vdy h THR 124 CO 0.07 0.02 0.31 0.40 0.37 0.00 0.00 175.52 176.69 1vdy h ILE 125 N 0.10 1.24 -0.49 3.11 1.08 -1.40 -1.65 117.51 119.51 1vdy h ILE 125 Ca 0.11 -0.72 0.03 0.00 -0.39 0.00 0.00 64.86 63.89 1vdy h ILE 125 Cb 0.12 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 1vdy h ILE 125 CO -0.16 0.29 0.32 0.28 -0.69 0.00 0.00 178.15 178.20 1vdy h SER 126 N 1.00 0.48 0.02 1.72 0.02 -1.35 -0.57 113.55 114.88 1vdy h SER 126 Ca 0.24 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.98 1vdy h SER 126 Cb 0.16 -0.11 0.02 0.00 0.14 0.00 0.00 62.40 62.61 1vdy h SER 126 CO -0.03 0.33 -0.80 0.00 -1.14 0.00 0.00 176.83 175.19 1vdy h ALA 127 N 1.72 0.07 -0.33 3.77 0.00 -0.78 -0.27 119.26 123.44 1vdy h ALA 127 Ca 0.20 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1vdy h ALA 127 Cb 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1vdy h ALA 127 CO -0.05 0.48 0.20 0.82 0.00 0.00 0.00 179.25 180.70 1vdy h ILE 128 N 0.05 1.11 -0.61 0.00 2.04 -0.99 -2.79 117.51 116.32 1vdy h ILE 128 Ca -0.11 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1vdy h ILE 128 Cb 1.50 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1vdy h ILE 128 CO 0.16 0.11 0.05 0.49 0.00 0.00 0.00 178.15 178.95 1vdy n PHE 129 N -4.83 2.18 -0.67 1.37 3.72 -0.25 -4.84 117.46 114.14 1vdy n PHE 129 Ca -0.01 -0.81 -0.31 0.00 -0.05 0.00 0.00 57.45 56.27 1vdy n PHE 129 Cb 0.05 -0.55 0.17 0.00 -0.94 0.00 0.00 39.48 38.21 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 0.49 0.25 -3.76 4.37 2.88 -0.11 -3.69 113.62 114.05 1vdy n SER 130 Ca 0.30 0.40 -0.31 0.00 -1.33 0.00 0.00 58.87 57.93 1vdy n SER 130 Cb 1.24 -1.47 0.03 0.00 -0.75 0.00 0.00 64.21 63.26 1vdy n SER 130 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1vdy n GLU 131 N -4.25 -1.63 -2.86 -1.46 -0.58 -1.26 -4.91 120.64 103.69 1vdy n GLU 131 Ca 0.12 0.42 -0.42 0.00 -0.42 0.00 0.00 57.16 56.86 1vdy n GLU 131 Cb 0.52 -4.11 -0.04 0.00 -0.57 0.00 0.00 31.44 27.24 1vdy n GLU 131 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1vdy s GLU 132 N -6.19 3.95 0.11 3.49 2.12 -1.24 -4.92 118.70 116.02 1vdy s GLU 132 Ca 0.38 0.67 -0.15 0.00 0.36 0.00 0.00 54.97 56.23 1vdy s GLU 132 Cb -0.14 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 1vdy s GLU 132 CO 0.87 -0.78 1.51 -0.97 -0.54 0.00 0.00 175.26 175.35 1vdy h ASN 133 N 8.19 0.69 -0.16 -1.70 -1.24 -1.94 -3.32 115.58 116.10 1vdy h ASN 133 Ca -0.23 -0.36 -0.71 0.00 0.71 0.00 0.00 56.30 55.70 1vdy h ASN 133 Cb 1.09 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.90 1vdy h ASN 133 CO 0.93 0.89 3.08 0.61 -1.29 0.00 0.00 177.43 181.66 1vdy n GLY 134 N -0.18 4.45 3.56 1.57 0.00 -1.26 -4.98 105.19 108.35 1vdy n GLY 134 Ca -0.02 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 1vdy n GLY 134 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vdy s SER 135 N 2.82 1.60 0.00 1.61 1.04 -1.25 -5.07 113.70 114.46 1vdy s SER 135 Ca 0.48 1.45 0.00 0.00 0.48 0.00 0.00 55.95 58.37 1vdy s SER 135 Cb 0.14 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1vdy s SER 135 CO -0.08 -3.80 0.00 0.61 0.98 0.00 0.00 173.24 170.95 1vdy n GLY 136 N 0.15 1.92 3.51 7.32 0.00 -1.26 -5.00 105.19 111.84 1vdy n GLY 136 Ca 0.04 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.64 -1.64 1.61 -0.04 -1.26 -4.90 135.00 129.41 1vdy n PRO 137 Ca 0.00 -1.80 -0.23 0.00 -0.04 0.00 0.00 63.50 61.43 1vdy n PRO 137 Cb 0.00 -3.52 0.15 0.00 -0.04 0.00 0.00 33.50 30.10 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 15.15 0.25 -3.65 3.54 7.64 -1.26 -5.13 113.62 130.16 1vdy n SER 138 Ca 0.44 -1.48 -0.15 0.00 1.01 0.00 0.00 58.87 58.69 1vdy n SER 138 Cb 0.45 -0.77 -0.08 0.00 -1.01 0.00 0.00 64.21 62.81 1vdy n SER 138 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1vdy s SER 139 N -4.80 -0.49 0.00 6.43 0.15 -1.26 -5.30 113.70 108.42 1vdy s SER 139 Ca 0.59 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.92 1vdy s SER 139 Cb -0.02 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1vdy s SER 139 CO 0.41 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.05