#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 -4.09 -0.10 1.61 7.64 -1.26 -4.84 113.62 112.57 1vdy n SER 2 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1vdy n SER 2 Cb 0.00 -2.93 -0.01 0.00 -1.01 0.00 0.00 64.21 60.25 1vdy n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1vdy h SER 3 N 0.00 0.40 -1.02 6.43 0.02 -2.15 -3.37 113.55 113.87 1vdy h SER 3 Ca 0.00 -0.05 -0.49 0.00 -0.84 0.00 0.00 61.79 60.41 1vdy h SER 3 Cb 0.68 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.04 1vdy h SER 3 CO 0.00 0.34 1.22 -0.83 -1.14 0.00 0.00 176.83 176.42 1vdy s GLY 4 N -2.59 0.86 -0.40 -3.77 0.00 -1.26 -4.94 107.32 95.22 1vdy s GLY 4 Ca -0.13 -1.96 -0.27 0.00 0.00 0.00 0.00 44.72 42.36 1vdy s GLY 4 CO 0.72 2.98 2.04 -0.56 0.00 0.00 0.00 173.10 178.28 1vdy s SER 5 N 6.05 5.34 0.72 1.64 0.01 -1.26 -4.98 113.70 121.22 1vdy s SER 5 Ca 0.54 1.20 -0.12 0.00 1.31 0.00 0.00 55.95 58.88 1vdy s SER 5 Cb -0.03 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1vdy s SER 5 CO -0.06 -2.16 1.11 -0.44 0.41 0.00 0.00 173.24 172.10 1vdy s SER 6 N 8.36 5.31 0.00 2.44 0.01 -1.26 -4.98 113.70 123.58 1vdy s SER 6 Ca 0.86 1.10 0.00 0.00 1.31 0.00 0.00 55.95 59.22 1vdy s SER 6 Cb -0.22 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1vdy s SER 6 CO 0.30 -1.43 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1vdy n GLY 7 N -3.01 0.00 2.75 3.44 0.00 -1.26 -5.03 105.19 102.08 1vdy n GLY 7 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.31 -3.51 0.05 1.61 -0.58 -1.26 -4.91 120.64 111.73 1vdy n GLU 8 Ca 0.00 0.96 0.03 0.00 -0.42 0.00 0.00 57.16 57.73 1vdy n GLU 8 Cb 0.00 -5.74 0.41 0.00 -0.57 0.00 0.00 31.44 25.54 1vdy n GLU 8 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1vdy h SER 9 N -0.79 0.39 -0.48 1.62 4.64 -2.00 -2.00 113.55 114.94 1vdy h SER 9 Ca -0.52 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 60.80 1vdy h SER 9 Cb 1.37 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 1vdy h SER 9 CO 0.58 0.37 0.25 0.22 -0.87 0.00 0.00 176.83 177.38 1vdy h TYR 10 N 0.43 0.46 0.29 4.77 5.03 -1.98 0.61 116.97 126.58 1vdy h TYR 10 Ca 0.11 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 1vdy h TYR 10 Cb 0.12 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 1vdy h TYR 10 CO 0.00 0.23 -0.37 2.35 -1.32 0.00 0.00 178.16 179.06 1vdy h TRP 11 N 0.49 -1.04 0.47 -3.82 -0.00 -1.76 0.12 115.95 110.43 1vdy h TRP 11 Ca 0.21 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.09 1vdy h TRP 11 Cb 0.10 0.41 -0.00 0.00 -0.00 0.00 0.00 29.16 29.67 1vdy h TRP 11 CO -0.10 -0.47 -0.28 0.00 -0.00 0.00 0.00 178.44 177.59 1vdy h ARG 12 N -0.68 -0.69 -0.38 2.65 3.08 -1.39 -3.12 114.38 113.86 1vdy h ARG 12 Ca -0.03 0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.14 1vdy h ARG 12 Cb 0.61 0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.74 1vdy h ARG 12 CO -0.09 -0.46 -0.10 1.03 -1.07 0.00 0.00 179.97 179.28 1vdy h SER 13 N -0.72 -0.38 -0.43 7.04 0.87 -0.82 -2.16 113.55 116.95 1vdy h SER 13 Ca -0.06 0.12 0.11 0.00 -1.23 0.00 0.00 61.79 60.73 1vdy h SER 13 Cb 0.58 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 1vdy h SER 13 CO 0.06 -0.14 0.30 0.03 -0.53 0.00 0.00 176.83 176.56 1vdy h ARG 14 N -0.01 0.09 0.18 2.24 2.47 -0.69 0.23 114.38 118.88 1vdy h ARG 14 Ca 0.18 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1vdy h ARG 14 Cb 0.29 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1vdy h ARG 14 CO -0.39 0.06 -0.09 0.52 0.56 0.00 0.00 179.97 180.63 1vdy h MET 15 N 0.09 -0.23 -0.38 0.04 2.86 -1.34 -1.02 114.93 114.95 1vdy h MET 15 Ca 0.20 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1vdy h MET 15 Cb 0.69 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1vdy h MET 15 CO -0.02 0.12 0.24 0.82 1.06 0.00 0.00 176.91 179.14 1vdy h ILE 16 N -0.63 1.08 -0.95 -1.22 1.08 -1.34 -2.62 117.51 112.91 1vdy h ILE 16 Ca -0.02 -0.17 0.10 0.00 -0.39 0.00 0.00 64.86 64.38 1vdy h ILE 16 Cb 0.46 0.54 -0.08 0.00 -3.07 0.00 0.00 36.82 34.68 1vdy h ILE 16 CO 0.04 0.09 0.59 -0.78 -0.69 0.00 0.00 178.15 177.40 1vdy h ASP 17 N 0.50 0.87 0.44 1.72 3.58 -0.56 0.86 116.42 123.83 1vdy h ASP 17 Ca 0.14 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 1vdy h ASP 17 Cb -0.04 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1vdy h ASP 17 CO -0.04 0.49 -0.21 0.00 -2.88 0.00 0.00 179.24 176.59 1vdy h ALA 18 N 1.50 -0.59 0.00 -0.78 0.00 -0.82 0.11 119.26 118.68 1vdy h ALA 18 Ca 0.46 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1vdy h ALA 18 Cb 0.40 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1vdy h ALA 18 CO -0.25 -0.71 -0.02 -0.39 0.00 0.00 0.00 179.25 177.88 1vdy h VAL 19 N -0.84 0.10 -0.32 0.00 -1.51 -1.20 -2.51 116.25 109.97 1vdy h VAL 19 Ca -0.06 -0.28 -0.11 0.00 -1.23 0.00 0.00 66.70 65.02 1vdy h VAL 19 Cb 0.56 1.25 -0.06 0.00 -2.13 0.00 0.00 31.29 30.90 1vdy h VAL 19 CO 0.10 0.02 -0.01 0.35 -1.23 0.00 0.00 177.57 176.80 1vdy n THR 20 N -3.19 2.44 -1.66 7.19 -2.24 0.27 -4.50 114.28 112.59 1vdy n THR 20 Ca -0.01 -2.31 -0.46 0.00 -2.27 0.00 0.00 64.05 59.00 1vdy n THR 20 Cb 0.19 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.86 2.80 -0.16 3.42 7.64 0.36 -4.82 113.62 121.99 1vdy n SER 21 Ca 0.28 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1vdy n SER 21 Cb 0.98 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 2.70 0.14 -4.81 6.43 5.68 -1.26 -4.77 116.55 120.65 1vdy n ASP 22 Ca 0.14 -0.83 -0.31 0.00 -0.50 0.00 0.00 54.79 53.29 1vdy n ASP 22 Cb 0.29 -0.07 0.05 0.00 -1.14 0.00 0.00 41.12 40.26 1vdy n ASP 22 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1vdy s GLU 23 N -1.67 2.91 0.31 0.11 2.12 -1.26 -4.90 118.70 116.32 1vdy s GLU 23 Ca 0.00 1.01 0.26 0.00 0.36 0.00 0.00 54.97 56.60 1vdy s GLU 23 Cb 0.00 -1.98 0.98 0.00 0.26 0.00 0.00 34.13 33.39 1vdy s GLU 23 CO 0.00 -1.13 1.77 0.38 -0.54 0.00 0.00 175.26 175.75 1vdy h ASP 24 N -0.63 0.00 -2.58 -1.70 2.03 -2.02 -3.45 116.42 108.08 1vdy h ASP 24 Ca -0.44 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.31 1vdy h ASP 24 Cb 1.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.71 1vdy h ASP 24 CO 0.56 0.00 1.12 -0.75 -1.03 0.00 0.00 179.24 179.15 1vdy s LYS 25 N -3.33 4.10 0.38 4.15 2.47 -1.26 -4.98 119.74 121.26 1vdy s LYS 25 Ca 0.05 2.18 -0.27 0.00 -1.56 0.00 0.00 55.97 56.37 1vdy s LYS 25 Cb 0.10 -4.03 -0.09 0.00 -1.46 0.00 0.00 37.83 32.35 1vdy s LYS 25 CO 0.48 -0.95 1.27 0.54 0.16 0.00 0.00 175.35 176.85 1vdy s VAL 26 N 4.36 2.77 0.43 4.02 0.11 -1.26 -4.95 120.40 125.87 1vdy s VAL 26 Ca 0.76 0.71 -0.26 0.00 -2.93 0.00 0.00 61.98 60.26 1vdy s VAL 26 Cb -0.34 -3.43 -0.09 0.00 -1.53 0.00 0.00 36.38 31.00 1vdy s VAL 26 CO 0.31 0.12 1.40 0.00 -3.33 0.00 0.00 175.10 173.60 1vdy n ALA 27 N 0.36 1.89 -1.80 1.54 0.00 -1.26 -5.00 120.51 116.23 1vdy n ALA 27 Ca 0.02 0.27 -0.31 0.00 0.00 0.00 0.00 53.44 53.43 1vdy n ALA 27 Cb 0.44 -2.36 0.04 0.00 0.00 0.00 0.00 19.45 17.56 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 -2.31 3.09 0.22 0.00 0.04 -1.26 -4.99 135.00 129.79 1vdy s PRO 28 Ca 0.60 0.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 1vdy s PRO 28 Cb -0.47 -2.03 0.18 0.00 0.04 0.00 0.00 34.50 32.22 1vdy s PRO 28 CO 0.59 -0.92 1.73 0.28 0.04 0.00 0.00 177.00 178.72 1vdy h VAL 29 N -0.57 1.26 -0.53 -0.36 2.07 -2.00 -3.00 116.25 113.11 1vdy h VAL 29 Ca -0.45 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.12 1vdy h VAL 29 Cb 1.22 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1vdy h VAL 29 CO 0.62 0.37 0.35 0.10 0.02 0.00 0.00 177.57 179.03 1vdy h TYR 30 N 0.99 0.56 0.00 1.57 -0.00 -2.00 -0.28 116.97 117.81 1vdy h TYR 30 Ca 0.20 0.01 -0.08 0.00 0.00 0.00 0.00 58.73 58.86 1vdy h TYR 30 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 36.73 36.94 1vdy h TYR 30 CO 0.03 0.32 -0.39 0.87 -0.00 0.00 0.00 178.16 178.99 1vdy h LYS 31 N 0.58 0.00 0.08 0.10 1.79 -1.92 -2.87 116.57 114.33 1vdy h LYS 31 Ca 0.22 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.49 1vdy h LYS 31 Cb 0.15 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1vdy h LYS 31 CO -0.06 0.39 -0.81 -0.07 -1.08 0.00 0.00 179.45 177.82 1vdy h LEU 32 N 0.00 0.58 -1.34 2.94 3.38 -1.12 -3.33 115.31 116.41 1vdy h LEU 32 Ca -0.00 -0.84 -0.07 0.00 0.09 0.00 0.00 57.88 57.05 1vdy h LEU 32 Cb 0.90 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1vdy h LEU 32 CO 0.05 1.36 -0.32 1.05 0.09 0.00 0.00 178.44 180.67 1vdy h GLU 33 N -0.13 0.00 -0.36 1.13 4.11 -1.29 -2.97 114.58 115.07 1vdy h GLU 33 Ca -0.12 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.34 1vdy h GLU 33 Cb 1.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.77 1vdy h GLU 33 CO 0.16 0.32 0.16 0.93 0.07 0.00 0.00 179.01 180.65 1vdy h GLU 34 N 0.00 0.32 -0.12 1.06 5.08 -1.61 -1.12 114.58 118.19 1vdy h GLU 34 Ca -0.00 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1vdy h GLU 34 Cb 0.61 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1vdy h GLU 34 CO 0.04 0.21 -0.12 0.82 -1.00 0.00 0.00 179.01 178.97 1vdy h ILE 35 N 0.33 0.67 0.24 3.13 2.04 -1.65 -0.78 117.51 121.50 1vdy h ILE 35 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1vdy h ILE 35 Cb 0.10 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1vdy h ILE 35 CO -0.13 0.00 -0.52 0.00 0.00 0.00 0.00 178.15 177.50 1vdy h ASP 37 N -0.83 0.51 -0.14 0.00 3.58 -1.04 -1.89 116.42 116.62 1vdy h ASP 37 Ca -0.02 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1vdy h ASP 37 Cb 0.79 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1vdy h ASP 37 CO -0.21 0.31 0.07 -0.07 -2.88 0.00 0.00 179.24 176.45 1vdy h LEU 38 N 0.65 0.18 -0.77 2.28 3.38 -0.88 -1.68 115.31 118.48 1vdy h LEU 38 Ca 0.34 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.33 1vdy h LEU 38 Cb 0.31 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1vdy h LEU 38 CO -0.24 0.25 0.33 -0.07 0.09 0.00 0.00 178.44 178.80 1vdy h LEU 39 N 0.10 0.34 -1.27 1.67 3.38 -0.12 0.11 115.31 119.52 1vdy h LEU 39 Ca 0.05 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1vdy h LEU 39 Cb 0.12 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1vdy h LEU 39 CO -0.01 0.14 -0.31 0.03 0.09 0.00 0.00 178.44 178.38 1vdy h ARG 40 N 0.49 0.00 -0.69 1.13 2.47 -1.05 -1.95 114.38 114.78 1vdy h ARG 40 Ca 0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 1vdy h ARG 40 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1vdy h ARG 40 CO -0.38 0.31 0.00 0.43 0.56 0.00 0.00 179.97 180.89 1vdy n SER 41 N -3.72 3.71 -4.40 7.04 7.64 -0.32 -4.97 113.62 118.60 1vdy n SER 41 Ca -0.01 -2.02 -0.22 0.00 1.01 0.00 0.00 58.87 57.63 1vdy n SER 41 Cb 0.41 -0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.99 3.09 0.72 6.43 0.01 0.23 -5.01 113.70 118.17 1vdy s SER 42 Ca 0.46 -0.98 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 1vdy s SER 42 Cb 0.24 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.28 1vdy s SER 42 CO 0.31 -0.03 1.09 -2.28 0.41 0.00 0.00 173.24 172.74 1vdy s HIS 43 N -2.48 2.69 0.55 2.43 2.46 -1.26 -4.87 115.29 114.81 1vdy s HIS 43 Ca 0.24 1.53 0.24 0.00 0.47 0.00 0.00 55.06 57.54 1vdy s HIS 43 Cb -0.04 -3.06 1.44 0.00 -0.13 0.00 0.00 32.58 30.79 1vdy s HIS 43 CO 0.10 -1.65 2.07 -0.24 -2.47 0.00 0.00 174.74 172.56 1vdy h VAL 44 N -0.62 0.73 -0.98 0.89 3.04 -2.00 -0.12 116.25 117.19 1vdy h VAL 44 Ca -0.45 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.30 1vdy h VAL 44 Cb 1.23 0.84 -0.06 0.00 -2.01 0.00 0.00 31.29 31.29 1vdy h VAL 44 CO 0.53 0.00 0.63 0.28 -1.01 0.00 0.00 177.57 178.00 1vdy h SER 45 N 0.00 1.01 -0.34 3.17 0.02 -1.99 -0.55 113.55 114.88 1vdy h SER 45 Ca 0.13 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1vdy h SER 45 Cb 0.57 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1vdy h SER 45 CO -0.00 0.65 -0.24 0.40 -1.14 0.00 0.00 176.83 176.50 1vdy h ILE 46 N 1.16 1.29 -0.74 3.27 1.08 -1.37 -0.24 117.51 121.96 1vdy h ILE 46 Ca 0.42 -1.39 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1vdy h ILE 46 Cb 0.14 1.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.30 1vdy h ILE 46 CO -0.17 0.45 0.48 0.58 -0.69 0.00 0.00 178.15 178.81 1vdy h VAL 47 N 0.53 1.20 -0.00 1.67 2.07 -1.18 0.12 116.25 120.66 1vdy h VAL 47 Ca 0.06 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1vdy h VAL 47 Cb 0.80 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1vdy h VAL 47 CO 0.06 0.19 0.00 0.11 0.02 0.00 0.00 177.57 177.96 1vdy h LYS 48 N 1.01 0.00 -0.43 1.57 1.57 -1.04 -2.50 116.57 116.75 1vdy h LYS 48 Ca 0.27 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 1vdy h LYS 48 Cb -0.10 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1vdy h LYS 48 CO -0.06 0.25 0.19 0.93 -0.57 0.00 0.00 179.45 180.20 1vdy h GLU 49 N -0.25 0.38 -0.79 3.15 4.39 -0.69 -2.17 114.58 118.61 1vdy h GLU 49 Ca 0.00 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.77 1vdy h GLU 49 Cb 0.25 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 1vdy h GLU 49 CO 0.00 0.25 0.45 0.74 -1.16 0.00 0.00 179.01 179.29 1vdy h PHE 50 N 0.39 0.81 -0.85 4.33 0.04 -0.70 -0.98 116.94 119.99 1vdy h PHE 50 Ca 0.19 0.03 0.15 0.00 2.80 0.00 0.00 57.97 61.13 1vdy h PHE 50 Cb 0.12 -0.25 -0.09 0.00 2.20 0.00 0.00 35.95 37.93 1vdy h PHE 50 CO -0.12 0.33 0.44 0.77 -0.60 0.00 0.00 178.31 179.13 1vdy h SER 51 N 0.76 0.53 -0.03 2.17 0.02 -0.93 0.18 113.55 116.25 1vdy h SER 51 Ca 0.38 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.42 1vdy h SER 51 Cb 0.34 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1vdy h SER 51 CO -0.24 0.22 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.34 1vdy h GLU 52 N 0.62 0.06 -0.55 3.45 4.39 -1.08 -2.83 114.58 118.65 1vdy h GLU 52 Ca 0.46 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.18 1vdy h GLU 52 Cb 0.65 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 1vdy h GLU 52 CO -0.36 0.35 0.36 0.74 -1.16 0.00 0.00 179.01 178.95 1vdy h PHE 53 N -0.25 0.60 0.12 4.33 0.04 -0.83 -1.92 116.94 119.03 1vdy h PHE 53 Ca 0.01 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1vdy h PHE 53 Cb 0.33 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1vdy h PHE 53 CO 0.03 0.35 -0.06 0.82 -0.60 0.00 0.00 178.31 178.85 1vdy h ILE 54 N 0.62 0.90 -0.89 -0.55 2.04 -0.87 -3.02 117.51 115.73 1vdy h ILE 54 Ca 0.22 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1vdy h ILE 54 Cb 0.12 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1vdy h ILE 54 CO -0.06 0.02 0.59 -0.07 0.00 0.00 0.00 178.15 178.63 1vdy h LEU 55 N -0.20 0.99 -2.25 1.44 3.38 -1.14 -2.35 115.31 115.18 1vdy h LEU 55 Ca -0.02 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1vdy h LEU 55 Cb 0.16 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1vdy h LEU 55 CO 0.03 0.70 0.25 0.11 0.09 0.00 0.00 178.44 179.61 1vdy h LYS 56 N 1.16 0.00 0.00 1.13 1.79 -1.24 -0.24 116.57 119.18 1vdy h LYS 56 Ca 0.34 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.57 1vdy h LYS 56 Cb -0.05 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.57 1vdy h LYS 56 CO -0.09 0.00 -1.32 0.00 -1.08 0.00 0.00 179.45 176.96 1vdy h ARG 57 N 0.00 0.00 0.00 3.15 2.47 -1.49 -3.29 114.38 115.22 1vdy h ARG 57 Ca 0.05 -0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 1vdy h ARG 57 Cb 0.55 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1vdy h ARG 57 CO -0.00 0.78 -0.35 -0.07 0.56 0.00 0.00 179.97 180.88 1vdy h LEU 58 N 0.00 0.00 -1.72 3.04 4.07 -1.13 -2.71 115.31 116.86 1vdy h LEU 58 Ca -0.13 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.79 1vdy h LEU 58 Cb 1.88 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.61 1vdy h LEU 58 CO 0.11 0.35 -0.17 -0.78 -1.08 0.00 0.00 178.44 176.87 1vdy h ASP 59 N 0.00 0.00 -1.81 -0.43 3.58 -1.59 -3.45 116.42 112.72 1vdy h ASP 59 Ca -0.00 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.78 1vdy h ASP 59 Cb 0.74 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.86 1vdy h ASP 59 CO 0.05 0.17 0.36 -3.20 -2.88 0.00 0.00 179.24 173.74 1vdy n ASN 60 N -4.06 1.49 0.26 2.28 2.85 -1.02 -4.88 115.26 112.19 1vdy n ASN 60 Ca -0.02 1.13 0.12 0.00 -0.11 0.00 0.00 54.58 55.70 1vdy n ASN 60 Cb 0.25 -1.20 0.72 0.00 1.24 0.00 0.00 39.78 40.79 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 3.96 0.00 -7.06 1.20 1.63 -1.90 -3.45 116.57 110.95 1vdy h LYS 61 Ca -0.45 0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 58.90 1vdy h LYS 61 Cb 1.34 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 1vdy h LYS 61 CO 0.74 0.12 0.33 -1.12 -3.45 0.00 0.00 179.45 176.07 1vdy s SER 62 N -6.19 6.88 0.00 4.20 0.01 -1.26 -4.89 113.70 112.44 1vdy s SER 62 Ca -0.03 1.64 -0.21 0.00 1.31 0.00 0.00 55.95 58.67 1vdy s SER 62 Cb 0.13 -2.52 -0.21 0.00 0.21 0.00 0.00 66.02 63.63 1vdy s SER 62 CO 0.59 -0.39 1.14 1.55 0.41 0.00 0.00 173.24 176.54 1vdy h PRO 63 N 1.78 0.35 0.10 12.44 0.13 -1.91 -3.34 132.00 141.55 1vdy h PRO 63 Ca -0.49 -0.32 0.02 0.00 -0.87 0.00 0.00 66.00 64.34 1vdy h PRO 63 Cb 1.18 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1vdy h PRO 63 CO 0.61 0.99 -0.23 0.82 -0.23 0.00 0.00 178.00 179.96 1vdy h ILE 64 N -0.17 0.49 -0.88 -3.56 2.04 -1.96 -2.75 117.51 110.72 1vdy h ILE 64 Ca -0.04 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.04 1vdy h ILE 64 Cb 1.10 0.49 -0.16 0.00 -0.74 0.00 0.00 36.82 37.51 1vdy h ILE 64 CO 0.08 0.00 0.02 0.58 0.00 0.00 0.00 178.15 178.84 1vdy h VAL 65 N -0.42 0.19 0.27 1.67 2.07 -1.90 -1.04 116.25 117.10 1vdy h VAL 65 Ca 0.03 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1vdy h VAL 65 Cb 0.45 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1vdy h VAL 65 CO -0.14 0.01 -0.40 0.11 0.02 0.00 0.00 177.57 177.18 1vdy h LYS 66 N 0.07 -0.70 -1.00 1.57 1.57 -1.60 -2.69 116.57 113.79 1vdy h LYS 66 Ca 0.51 0.05 0.21 0.00 -1.87 0.00 0.00 60.65 59.54 1vdy h LYS 66 Cb 0.97 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 33.34 1vdy h LYS 66 CO -0.79 -0.47 0.62 0.37 -0.57 0.00 0.00 179.45 178.61 1vdy h GLN 67 N -0.73 0.62 -0.62 3.15 -0.00 -1.19 -0.65 115.11 115.69 1vdy h GLN 67 Ca -0.01 -0.04 0.07 0.00 -0.00 0.00 0.00 58.65 58.67 1vdy h GLN 67 Cb 0.69 -0.14 -0.06 0.00 0.00 0.00 0.00 27.48 27.98 1vdy h GLN 67 CO -0.14 0.41 0.32 0.87 0.00 0.00 0.00 178.83 180.29 1vdy h LYS 68 N 0.64 0.56 -0.25 1.69 1.57 -1.28 -1.27 116.57 118.23 1vdy h LYS 68 Ca 0.58 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.27 1vdy h LYS 68 Cb 1.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1vdy h LYS 68 CO -0.35 0.37 -0.05 0.00 -0.57 0.00 0.00 179.45 178.85 1vdy h ALA 69 N 1.35 0.35 -0.14 3.86 0.00 -1.09 -2.63 119.26 120.96 1vdy h ALA 69 Ca 0.29 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1vdy h ALA 69 Cb 0.23 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1vdy h ALA 69 CO -0.21 0.14 -0.35 -0.07 0.00 0.00 0.00 179.25 178.75 1vdy h LEU 70 N 0.23 -1.11 -0.60 0.00 -0.00 -0.58 0.46 115.31 113.72 1vdy h LEU 70 Ca 0.07 0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 58.07 1vdy h LEU 70 Cb 0.50 0.47 -0.03 0.00 -0.00 0.00 0.00 40.66 41.60 1vdy h LEU 70 CO 0.02 -0.38 0.25 -0.09 -0.00 0.00 0.00 178.44 178.24 1vdy h ARG 71 N -0.42 0.89 -0.32 1.13 1.12 -1.38 -2.83 114.38 112.57 1vdy h ARG 71 Ca 0.09 -0.15 0.06 0.00 -1.11 0.00 0.00 59.98 58.87 1vdy h ARG 71 Cb 0.57 -0.15 -0.06 0.00 -0.01 0.00 0.00 29.97 30.33 1vdy h ARG 71 CO -0.38 0.75 -0.04 1.25 -3.11 0.00 0.00 179.97 178.44 1vdy h LEU 72 N 0.83 -0.21 -0.34 3.80 5.85 -0.96 0.22 115.31 124.49 1vdy h LEU 72 Ca 0.20 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.05 1vdy h LEU 72 Cb 0.18 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1vdy h LEU 72 CO -0.02 -0.07 0.07 0.40 -0.34 0.00 0.00 178.44 178.49 1vdy h ILE 73 N 0.04 0.84 -0.50 4.05 2.04 -0.75 0.28 117.51 123.51 1vdy h ILE 73 Ca 0.15 -0.07 -0.13 0.00 1.00 0.00 0.00 64.86 65.82 1vdy h ILE 73 Cb 0.22 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1vdy h ILE 73 CO -0.30 0.04 -0.19 0.07 0.00 0.00 0.00 178.15 177.78 1vdy h LYS 74 N 0.20 1.01 0.07 2.37 2.10 -1.17 0.16 116.57 121.31 1vdy h LYS 74 Ca 0.16 -0.42 -0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1vdy h LYS 74 Cb 0.17 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1vdy h LYS 74 CO -0.20 1.10 -0.04 -0.92 -2.00 0.00 0.00 179.45 177.39 1vdy h TYR 75 N 0.88 -0.09 0.84 0.07 5.03 -0.46 -2.50 116.97 120.74 1vdy h TYR 75 Ca 0.12 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 1vdy h TYR 75 Cb 0.76 0.03 0.01 0.00 1.55 0.00 0.00 36.73 39.08 1vdy h TYR 75 CO 0.05 0.02 -0.40 0.00 -1.32 0.00 0.00 178.16 176.51 1vdy h ALA 76 N 0.74 -1.13 -0.16 1.82 0.00 -0.40 -3.07 119.26 117.06 1vdy h ALA 76 Ca -0.01 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1vdy h ALA 76 Cb 0.16 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1vdy h ALA 76 CO 0.02 -1.07 0.23 -0.24 0.00 0.00 0.00 179.25 178.18 1vdy h VAL 77 N -1.25 0.33 0.00 0.00 3.04 -0.76 0.46 116.25 118.06 1vdy h VAL 77 Ca -0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1vdy h VAL 77 Cb 0.87 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1vdy h VAL 77 CO 0.19 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.36 1vdy n GLY 78 N -1.35 -1.00 0.00 3.17 0.00 -0.94 -4.48 105.19 100.59 1vdy n GLY 78 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.05 0.00 -0.31 1.61 2.85 -0.03 -4.97 118.16 116.26 1vdy n LYS 79 Ca 0.21 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.61 1vdy n LYS 79 Cb 0.13 -0.28 0.31 0.00 -0.65 0.00 0.00 35.03 34.54 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 0.30 -2.40 -5.58 0.02 -1.29 -3.48 113.55 101.13 1vdy h SER 80 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1vdy h SER 80 Cb 0.00 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1vdy h SER 80 CO 0.00 -0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 1vdy n GLY 81 N -1.34 0.65 0.12 -3.77 0.00 -1.26 -4.70 105.19 94.89 1vdy n GLY 81 Ca 0.23 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 0.35 0.53 1.61 0.02 -1.95 -3.20 113.55 110.92 1vdy h SER 82 Ca 0.00 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1vdy h SER 82 Cb 0.00 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1vdy h SER 82 CO 0.00 1.18 -0.49 -0.33 -1.14 0.00 0.00 176.83 176.05 1vdy h GLU 83 N 0.11 -0.98 0.00 3.45 3.07 -2.00 -1.41 114.58 116.82 1vdy h GLU 83 Ca -0.08 0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1vdy h GLU 83 Cb 1.72 0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 29.85 1vdy h GLU 83 CO 0.17 -0.65 -0.03 0.35 -1.40 0.00 0.00 179.01 177.45 1vdy h PHE 84 N -1.02 0.00 0.00 4.33 3.57 -1.92 0.48 116.94 122.39 1vdy h PHE 84 Ca -0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1vdy h PHE 84 Cb 0.87 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1vdy h PHE 84 CO -0.23 0.03 0.00 -2.13 -2.23 0.00 0.00 178.31 173.75 1vdy n ARG 85 N -3.55 0.00 -0.03 1.11 3.00 -0.57 -2.17 116.66 114.43 1vdy n ARG 85 Ca -0.03 0.47 -0.10 0.00 -0.00 0.00 0.00 57.85 58.19 1vdy n ARG 85 Cb 0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 32.46 31.17 1vdy n ARG 85 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1vdy h ARG 86 N 0.00 0.23 -0.71 -0.14 -0.00 -1.29 -2.84 114.38 109.62 1vdy h ARG 86 Ca 0.00 -0.02 0.12 0.00 -0.00 0.00 0.00 59.98 60.08 1vdy h ARG 86 Cb 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 29.97 29.87 1vdy h ARG 86 CO 0.00 0.18 0.48 0.93 -0.00 0.00 0.00 179.97 181.55 1vdy h GLU 87 N 0.21 0.46 -0.04 0.08 3.07 -1.03 -1.19 114.58 116.14 1vdy h GLU 87 Ca 0.06 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.71 1vdy h GLU 87 Cb 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1vdy h GLU 87 CO -0.01 0.31 -0.76 1.98 -1.40 0.00 0.00 179.01 179.12 1vdy h MET 88 N 0.48 0.28 -0.94 2.33 4.05 -1.21 -3.27 114.93 116.65 1vdy h MET 88 Ca 0.34 -0.25 0.15 0.00 -0.28 0.00 0.00 59.70 59.66 1vdy h MET 88 Cb 0.67 0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 31.44 1vdy h MET 88 CO -0.11 0.91 0.55 1.96 0.23 0.00 0.00 176.91 180.45 1vdy h GLN 89 N 0.18 0.76 -0.24 0.39 4.20 -1.05 -0.85 115.11 118.50 1vdy h GLN 89 Ca -0.03 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.70 1vdy h GLN 89 Cb 1.34 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 1vdy h GLN 89 CO 0.12 0.50 0.28 0.00 -0.67 0.00 0.00 178.83 179.07 1vdy h ARG 90 N 0.78 0.00 -0.13 1.46 3.08 -1.60 -2.01 114.38 115.96 1vdy h ARG 90 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1vdy h ARG 90 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1vdy h ARG 90 CO -0.33 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.66 1vdy n ASN 91 N -3.69 2.27 -0.20 7.04 3.02 -0.35 -4.79 115.26 118.56 1vdy n ASN 91 Ca 0.03 -1.90 0.30 0.00 -0.03 0.00 0.00 54.58 52.98 1vdy n ASN 91 Cb 0.41 -0.09 0.61 0.00 -0.61 0.00 0.00 39.78 40.11 1vdy n ASN 91 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1vdy h SER 92 N 0.87 0.00 -1.00 6.41 4.64 -1.05 -1.90 113.55 121.51 1vdy h SER 92 Ca 0.00 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 1vdy h SER 92 Cb 0.55 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.53 1vdy h SER 92 CO 0.00 0.00 0.62 1.62 -0.87 0.00 0.00 176.83 178.20 1vdy h VAL 93 N 0.00 0.61 -0.13 0.95 3.04 -1.87 0.36 116.25 119.21 1vdy h VAL 93 Ca 0.47 -0.20 -0.04 0.00 -1.01 0.00 0.00 66.70 65.91 1vdy h VAL 93 Cb 2.40 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 1vdy h VAL 93 CO -0.00 0.11 -0.10 0.00 -1.01 0.00 0.00 177.57 176.56 1vdy h ALA 94 N 1.66 1.59 0.00 3.17 0.00 -1.76 0.60 119.26 124.53 1vdy h ALA 94 Ca 0.59 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1vdy h ALA 94 Cb 1.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1vdy h ALA 94 CO -0.37 0.30 -0.43 0.28 0.00 0.00 0.00 179.25 179.03 1vdy h VAL 95 N 0.19 1.24 -0.71 0.00 2.07 -1.30 -3.38 116.25 114.37 1vdy h VAL 95 Ca 0.04 -2.09 0.05 0.00 0.82 0.00 0.00 66.70 65.53 1vdy h VAL 95 Cb 0.30 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 1vdy h VAL 95 CO 0.02 0.42 0.47 0.03 0.02 0.00 0.00 177.57 178.52 1vdy h ARG 96 N -1.00 0.75 -0.41 1.57 3.08 -0.85 -1.72 114.38 115.79 1vdy h ARG 96 Ca -0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1vdy h ARG 96 Cb 0.97 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1vdy h ARG 96 CO -0.07 0.50 0.00 0.27 -1.07 0.00 0.00 179.97 179.60 1vdy n ASN 97 N -4.47 0.41 -0.03 7.04 0.23 0.19 -2.45 115.26 116.18 1vdy n ASN 97 Ca 0.10 -1.73 0.03 0.00 -0.53 0.00 0.00 54.58 52.45 1vdy n ASN 97 Cb 0.20 -0.21 -0.02 0.00 -2.08 0.00 0.00 39.78 37.67 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 -0.23 0.41 0.10 -4.53 4.77 -0.65 -4.57 117.00 112.30 1vdy n LEU 98 Ca 0.00 -0.56 0.06 0.00 -0.03 0.00 0.00 56.01 55.48 1vdy n LEU 98 Cb 0.10 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.50 1vdy n LEU 98 CO 0.00 0.09 0.69 0.49 -1.33 0.00 0.00 177.39 177.34 1vdy n PHE 99 N -0.96 0.38 -1.73 -1.77 3.01 -1.03 -1.04 117.46 114.32 1vdy n PHE 99 Ca 0.01 0.20 0.02 0.00 1.01 0.00 0.00 57.45 58.69 1vdy n PHE 99 Cb 0.10 -0.75 0.03 0.00 -0.01 0.00 0.00 39.48 38.84 1vdy n PHE 99 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1vdy n HIS 100 N -1.88 0.00 -1.62 1.38 8.25 -1.26 -4.98 115.22 115.11 1vdy n HIS 100 Ca -0.01 -0.21 -0.54 0.00 -0.26 0.00 0.00 57.72 56.71 1vdy n HIS 100 Cb 0.10 -0.07 -0.07 0.00 1.12 0.00 0.00 29.99 31.08 1vdy n HIS 100 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1vdy n TYR 101 N -0.29 1.98 -0.03 4.41 9.36 -0.21 -4.82 117.16 127.56 1vdy n TYR 101 Ca 0.03 0.34 -0.03 0.00 3.32 0.00 0.00 57.90 61.55 1vdy n TYR 101 Cb 0.67 -2.53 -0.04 0.00 -0.63 0.00 0.00 39.34 36.82 1vdy n TYR 101 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1vdy n LYS 102 N 6.54 2.03 0.00 2.98 2.85 -1.26 -4.72 118.16 126.58 1vdy n LYS 102 Ca 0.30 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 1vdy n LYS 102 Cb 0.19 -1.13 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 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 2.87 1.61 3.14 2.58 0.00 -1.26 -4.22 105.19 109.90 1vdy n GLY 103 Ca -0.10 0.38 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1vdy n GLY 103 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vdy s HIS 104 N 0.00 1.85 1.02 1.61 -3.43 -1.26 -5.15 115.29 109.93 1vdy s HIS 104 Ca 0.00 -0.59 -0.16 0.00 -0.80 0.00 0.00 55.06 53.51 1vdy s HIS 104 Cb 0.00 -1.25 0.21 0.00 -1.43 0.00 0.00 32.58 30.11 1vdy s HIS 104 CO 0.00 -0.22 1.23 -1.25 -2.00 0.00 0.00 174.74 172.50 1vdy s PRO 105 N 0.14 0.24 0.05 -0.38 0.04 -1.26 -4.85 135.00 128.98 1vdy s PRO 105 Ca -0.07 -0.20 0.07 0.00 0.04 0.00 0.00 61.00 60.85 1vdy s PRO 105 Cb -0.13 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1vdy s PRO 105 CO 0.03 -2.72 -0.21 -0.51 0.04 0.00 0.00 177.00 173.64 1vdy s ASP 106 N -4.48 2.51 0.22 6.66 1.11 -1.26 -4.94 116.67 116.49 1vdy s ASP 106 Ca 0.71 -0.53 0.07 0.00 0.18 0.00 0.00 52.55 52.98 1vdy s ASP 106 Cb -0.07 -0.21 0.17 0.00 1.07 0.00 0.00 42.92 43.88 1vdy s ASP 106 CO 0.54 0.16 1.50 1.55 1.18 0.00 0.00 175.17 180.10 1vdy h PRO 107 N 4.84 0.09 0.23 8.23 0.13 -1.99 -1.95 132.00 141.57 1vdy h PRO 107 Ca -0.43 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1vdy h PRO 107 Cb 1.16 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1vdy h PRO 107 CO 0.44 0.78 -0.11 1.37 -0.23 0.00 0.00 178.00 180.25 1vdy h LEU 108 N 0.06 -0.26 0.00 1.56 -0.00 -2.06 -3.41 115.31 111.19 1vdy h LEU 108 Ca -0.02 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 1vdy h LEU 108 Cb 1.29 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 1vdy h LEU 108 CO 0.10 0.26 -0.09 0.11 -0.00 0.00 0.00 178.44 178.82 1vdy h LYS 109 N -0.97 0.00 -0.75 0.17 1.57 -2.01 -3.51 116.57 111.06 1vdy h LYS 109 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1vdy h LYS 109 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1vdy h LYS 109 CO 0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 1vdy n GLY 110 N 1.81 -0.51 3.27 3.86 0.00 -0.73 -4.81 105.19 108.07 1vdy n GLY 110 Ca -0.01 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 1vdy n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vdy n ASP 111 N 0.00 -3.20 -0.07 1.61 8.00 -1.26 -4.86 116.55 116.77 1vdy n ASP 111 Ca 0.00 -0.29 -0.06 0.00 0.71 0.00 0.00 54.79 55.14 1vdy n ASP 111 Cb 0.00 -2.69 -0.02 0.00 -0.02 0.00 0.00 41.12 38.39 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vdy n ALA 112 N -3.30 0.59 -0.24 2.24 0.00 -1.26 -3.97 120.51 114.57 1vdy n ALA 112 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 53.44 52.86 1vdy n ALA 112 Cb 0.53 0.02 0.14 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.84 0.38 -1.56 0.00 4.07 -1.97 -0.31 115.31 115.08 1vdy h LEU 113 Ca 0.00 0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1vdy h LEU 113 Cb 0.67 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1vdy h LEU 113 CO 0.00 0.21 -0.20 -0.55 -1.08 0.00 0.00 178.44 176.82 1vdy h ASN 114 N 0.53 0.00 0.97 -0.43 -1.07 -1.89 -3.23 115.58 110.46 1vdy h ASN 114 Ca 0.35 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.67 1vdy h ASN 114 Cb 0.40 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.66 1vdy h ASN 114 CO -0.29 0.20 -0.46 0.50 0.07 0.00 0.00 177.43 177.44 1vdy h LYS 115 N 0.00 -1.25 -1.15 4.14 1.63 -1.17 -2.90 116.57 115.86 1vdy h LYS 115 Ca -0.00 0.09 0.44 0.00 -0.85 0.00 0.00 60.65 60.33 1vdy h LYS 115 Cb 0.51 0.28 -0.16 0.00 -0.60 0.00 0.00 32.23 32.26 1vdy h LYS 115 CO 0.03 -0.83 0.68 0.00 -3.45 0.00 0.00 179.45 175.87 1vdy h ALA 116 N -1.39 2.43 0.73 5.00 0.00 -1.56 0.19 119.26 124.65 1vdy h ALA 116 Ca -0.13 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1vdy h ALA 116 Cb 1.00 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1vdy h ALA 116 CO 0.22 -1.18 -0.42 0.28 0.00 0.00 0.00 179.25 178.14 1vdy h VAL 117 N 0.00 0.00 -0.58 0.00 2.07 -1.60 -2.63 116.25 113.51 1vdy h VAL 117 Ca 0.86 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.35 1vdy h VAL 117 Cb 2.48 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1vdy h VAL 117 CO -0.65 0.00 0.23 0.08 0.02 0.00 0.00 177.57 177.25 1vdy h ARG 118 N -1.07 0.85 0.55 1.57 -0.00 -0.73 -2.22 114.38 113.33 1vdy h ARG 118 Ca -0.10 -0.13 -0.03 0.00 -0.00 0.00 0.00 59.98 59.72 1vdy h ARG 118 Cb 0.85 -0.15 0.00 0.00 -0.00 0.00 0.00 29.97 30.67 1vdy h ARG 118 CO 0.12 0.70 -0.27 0.93 -0.00 0.00 0.00 179.97 181.44 1vdy h GLU 119 N 0.83 -0.72 0.00 0.08 5.08 -1.01 -2.93 114.58 115.91 1vdy h GLU 119 Ca 0.20 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1vdy h GLU 119 Cb 0.17 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1vdy h GLU 119 CO -0.02 -0.48 -0.13 1.15 -1.00 0.00 0.00 179.01 178.53 1vdy h THR 120 N -0.75 0.82 -0.88 1.13 2.02 -1.52 -2.79 112.91 110.94 1vdy h THR 120 Ca -0.08 -0.49 0.16 0.00 0.77 0.00 0.00 66.41 66.77 1vdy h THR 120 Cb 0.58 1.29 -0.07 0.00 -1.74 0.00 0.00 68.15 68.21 1vdy h THR 120 CO 0.12 0.13 0.57 0.00 0.37 0.00 0.00 175.52 176.71 1vdy h ALA 121 N 1.87 1.94 -0.19 6.16 0.00 -1.20 -0.52 119.26 127.32 1vdy h ALA 121 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1vdy h ALA 121 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1vdy h ALA 121 CO 0.02 -0.19 0.02 0.45 0.00 0.00 0.00 179.25 179.55 1vdy h HIS 122 N 0.60 0.35 -0.86 0.00 3.86 -1.50 -2.68 115.15 114.93 1vdy h HIS 122 Ca 0.45 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.60 1vdy h HIS 122 Cb 0.84 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.17 1vdy h HIS 122 CO -0.00 0.50 0.50 0.93 0.86 0.00 0.00 177.93 180.71 1vdy h GLU 123 N 0.11 1.18 -0.04 2.45 5.08 -1.35 -2.09 114.58 119.92 1vdy h GLU 123 Ca 0.06 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1vdy h GLU 123 Cb 0.34 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1vdy h GLU 123 CO 0.01 0.84 -0.04 1.15 -1.00 0.00 0.00 179.01 179.97 1vdy h THR 124 N 1.19 0.89 -0.57 1.13 2.02 -0.97 -1.73 112.91 114.87 1vdy h THR 124 Ca 0.31 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.47 1vdy h THR 124 Cb -0.02 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1vdy h THR 124 CO -0.05 0.00 0.30 0.40 0.37 0.00 0.00 175.52 176.54 1vdy h ILE 125 N -0.05 1.19 -0.04 3.11 1.08 -1.30 -1.56 117.51 119.95 1vdy h ILE 125 Ca 0.03 -0.51 0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1vdy h ILE 125 Cb 0.09 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1vdy h ILE 125 CO -0.07 0.21 0.21 0.28 -0.69 0.00 0.00 178.15 178.09 1vdy h SER 126 N 0.77 0.00 0.04 1.72 0.02 -0.82 -0.41 113.55 114.86 1vdy h SER 126 Ca 0.20 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.78 1vdy h SER 126 Cb 0.07 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1vdy h SER 126 CO -0.03 0.00 -2.10 0.00 -1.14 0.00 0.00 176.83 173.56 1vdy n ALA 127 N -2.02 1.08 -0.28 3.77 0.00 -0.70 -3.40 120.51 118.95 1vdy n ALA 127 Ca -0.02 -0.82 -0.05 0.00 0.00 0.00 0.00 53.44 52.55 1vdy n ALA 127 Cb 0.28 -0.32 0.06 0.00 0.00 0.00 0.00 19.45 19.47 1vdy n ALA 127 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1vdy h ILE 128 N -0.40 1.23 -1.14 0.00 2.04 -0.58 -2.94 117.51 115.73 1vdy h ILE 128 Ca -0.51 -0.58 -0.65 0.00 1.00 0.00 0.00 64.86 64.12 1vdy h ILE 128 Cb 1.76 0.21 -0.34 0.00 -0.74 0.00 0.00 36.82 37.71 1vdy h ILE 128 CO -0.13 0.26 0.31 0.49 0.00 0.00 0.00 178.15 179.07 1vdy n PHE 129 N -4.44 3.08 -0.04 1.37 3.01 -0.23 -4.63 117.46 115.58 1vdy n PHE 129 Ca 0.07 -2.71 -0.02 0.00 1.01 0.00 0.00 57.45 55.80 1vdy n PHE 129 Cb 0.09 -0.99 -0.01 0.00 -0.01 0.00 0.00 39.48 38.57 1vdy n PHE 129 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1vdy h SER 130 N 2.26 0.00 -3.30 4.37 0.87 -1.53 -3.46 113.55 112.76 1vdy h SER 130 Ca 0.51 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.54 1vdy h SER 130 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1vdy h SER 130 CO 1.28 0.41 0.52 -1.61 -0.53 0.00 0.00 176.83 176.90 1vdy s GLU 131 N -1.60 4.48 -0.47 2.24 0.41 -1.26 -5.04 118.70 117.46 1vdy s GLU 131 Ca -0.05 1.72 0.03 0.00 -0.41 0.00 0.00 54.97 56.26 1vdy s GLU 131 Cb 0.01 -3.35 0.15 0.00 -1.78 0.00 0.00 34.13 29.17 1vdy s GLU 131 CO 0.08 -0.16 0.32 -1.21 -0.49 0.00 0.00 175.26 173.79 1vdy s GLU 132 N 0.76 1.27 -0.03 1.61 0.41 -1.26 -5.09 118.70 116.37 1vdy s GLU 132 Ca 0.56 -2.20 -0.00 0.00 -0.41 0.00 0.00 54.97 52.92 1vdy s GLU 132 Cb -0.28 -2.06 0.03 0.00 -1.78 0.00 0.00 34.13 30.03 1vdy s GLU 132 CO 0.30 -1.27 0.02 1.21 -0.49 0.00 0.00 175.26 175.03 1vdy s ASN 133 N 0.00 0.36 0.00 -0.19 3.84 -1.26 -5.03 114.94 112.66 1vdy s ASN 133 Ca 0.25 0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.33 1vdy s ASN 133 Cb -0.10 -0.15 0.00 0.00 -0.55 0.00 0.00 41.25 40.45 1vdy s ASN 133 CO -0.10 -0.13 0.00 0.61 -2.79 0.00 0.00 177.10 174.69 1vdy n GLY 134 N 4.29 -0.77 2.77 1.21 0.00 -1.26 -5.04 105.19 106.40 1vdy n GLY 134 Ca -0.25 0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.00 -0.79 0.67 1.61 1.04 -1.26 -5.17 113.70 105.80 1vdy s SER 135 Ca 0.00 -0.80 -0.17 0.00 0.48 0.00 0.00 55.95 55.47 1vdy s SER 135 Cb 0.00 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.16 1vdy s SER 135 CO 0.00 -0.04 1.20 -0.83 0.98 0.00 0.00 173.24 174.55 1vdy s GLY 136 N 1.20 2.50 0.66 7.32 0.00 -1.26 -4.99 107.32 112.74 1vdy s GLY 136 Ca 0.23 0.91 -0.14 0.00 0.00 0.00 0.00 44.72 45.72 1vdy s GLY 136 CO -0.09 1.31 1.08 2.56 0.00 0.00 0.00 173.10 177.96 1vdy s PRO 137 N -3.69 2.90 0.39 2.90 0.04 -1.26 -5.07 135.00 131.21 1vdy s PRO 137 Ca 0.75 1.25 0.05 0.00 0.04 0.00 0.00 61.00 63.09 1vdy s PRO 137 Cb -0.29 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 1vdy s PRO 137 CO 0.40 -1.15 0.04 0.45 0.04 0.00 0.00 177.00 176.78 1vdy s SER 138 N -2.90 3.26 -0.01 6.66 0.15 -1.26 -5.17 113.70 114.44 1vdy s SER 138 Ca 0.64 -1.45 -0.01 0.00 0.70 0.00 0.00 55.95 55.84 1vdy s SER 138 Cb -0.18 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1vdy s SER 138 CO 0.44 -0.61 0.03 -0.44 1.20 0.00 0.00 173.24 173.85 1vdy s SER 139 N -3.64 -0.02 0.00 5.45 0.01 -1.26 -5.34 113.70 108.89 1vdy s SER 139 Ca 0.30 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1vdy s SER 139 Cb 0.08 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1vdy s SER 139 CO 0.15 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.39