#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 -2.21 0.00 1.61 2.88 -1.26 -4.99 113.62 109.65 1vdy n SER 2 Ca 0.00 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1vdy n SER 2 Cb 0.00 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 1vdy n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1vdy n SER 3 N -3.74 0.00 0.00 -3.46 7.64 -1.26 -4.98 113.62 107.83 1vdy n SER 3 Ca 0.02 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1vdy n SER 3 Cb 0.57 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1vdy n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vdy n GLY 4 N -0.81 1.43 2.59 0.23 0.00 -1.26 -5.05 105.19 102.32 1vdy n GLY 4 Ca 0.00 0.45 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 1vdy n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vdy n SER 5 N 0.00 2.55 -3.64 1.61 3.41 -1.26 -4.99 113.62 111.30 1vdy n SER 5 Ca 0.00 -2.87 -0.29 0.00 -0.26 0.00 0.00 58.87 55.45 1vdy n SER 5 Cb 0.00 -0.48 -0.15 0.00 -0.26 0.00 0.00 64.21 63.32 1vdy n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vdy s SER 6 N -3.43 3.58 0.00 4.04 0.01 -1.26 -5.09 113.70 111.55 1vdy s SER 6 Ca 0.34 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1vdy s SER 6 Cb 0.41 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1vdy s SER 6 CO -0.03 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1vdy n GLY 7 N 5.08 3.33 2.43 3.44 0.00 -1.26 -5.00 105.19 113.21 1vdy n GLY 7 Ca -0.05 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 1vdy n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vdy n GLU 8 N 0.00 -1.67 -0.33 1.61 4.71 -1.26 -4.86 120.64 118.85 1vdy n GLU 8 Ca 0.00 1.00 0.17 0.00 -0.01 0.00 0.00 57.16 58.32 1vdy n GLU 8 Cb 0.00 -5.56 0.40 0.00 -1.01 0.00 0.00 31.44 25.28 1vdy n GLU 8 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1vdy h SER 9 N 0.00 0.64 -0.64 1.62 4.64 -2.01 -1.00 113.55 116.79 1vdy h SER 9 Ca -0.44 0.09 0.14 0.00 -0.47 0.00 0.00 61.79 61.11 1vdy h SER 9 Cb 1.31 -0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 63.27 1vdy h SER 9 CO 0.55 0.19 -0.01 0.22 -0.87 0.00 0.00 176.83 176.91 1vdy h TYR 10 N 0.60 -0.07 0.38 4.77 5.03 -1.97 0.54 116.97 126.26 1vdy h TYR 10 Ca 0.58 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.92 1vdy h TYR 10 Cb 1.13 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.53 1vdy h TYR 10 CO -0.00 -0.19 -0.32 2.35 -1.32 0.00 0.00 178.16 178.67 1vdy h TRP 11 N 0.10 -0.89 0.27 -3.82 -0.00 -1.57 0.23 115.95 110.28 1vdy h TRP 11 Ca 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.23 1vdy h TRP 11 Cb 0.55 0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 30.04 1vdy h TRP 11 CO -0.39 -0.45 -0.21 0.00 -0.00 0.00 0.00 178.44 177.39 1vdy h ARG 12 N -0.69 -0.48 -0.44 2.65 2.47 -1.59 -2.82 114.38 113.48 1vdy h ARG 12 Ca -0.05 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1vdy h ARG 12 Cb 0.58 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 1vdy h ARG 12 CO -0.01 -0.32 0.25 1.03 0.56 0.00 0.00 179.97 181.48 1vdy h SER 13 N -0.49 0.53 -0.83 7.04 0.87 -0.90 -2.95 113.55 116.81 1vdy h SER 13 Ca -0.02 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1vdy h SER 13 Cb 0.44 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 1vdy h SER 13 CO -0.01 0.43 0.39 0.03 -0.53 0.00 0.00 176.83 177.14 1vdy h ARG 14 N 0.61 1.21 -0.32 2.24 2.47 -0.28 0.36 114.38 120.67 1vdy h ARG 14 Ca 0.16 -0.18 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1vdy h ARG 14 Cb 0.01 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.09 1vdy h ARG 14 CO -0.03 0.93 0.15 0.52 0.56 0.00 0.00 179.97 182.11 1vdy h MET 15 N 1.19 0.31 0.36 0.04 2.86 -1.48 -0.59 114.93 117.63 1vdy h MET 15 Ca 0.28 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 1vdy h MET 15 Cb 0.13 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1vdy h MET 15 CO -0.03 0.21 -0.17 0.82 1.06 0.00 0.00 176.91 178.79 1vdy h ILE 16 N 0.32 0.65 -0.99 -1.22 1.08 -1.45 -3.04 117.51 112.87 1vdy h ILE 16 Ca 0.14 -0.23 0.18 0.00 -0.39 0.00 0.00 64.86 64.56 1vdy h ILE 16 Cb 0.06 0.77 -0.10 0.00 -3.07 0.00 0.00 36.82 34.48 1vdy h ILE 16 CO -0.10 0.05 0.61 -0.78 -0.69 0.00 0.00 178.15 177.24 1vdy h ASP 17 N -0.61 0.76 -0.17 1.72 3.58 0.04 0.25 116.42 121.98 1vdy h ASP 17 Ca -0.05 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 1vdy h ASP 17 Cb 0.45 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1vdy h ASP 17 CO 0.08 0.29 -0.15 0.00 -2.88 0.00 0.00 179.24 176.58 1vdy h ALA 18 N 1.63 1.13 -0.02 -0.78 0.00 -1.02 0.92 119.26 121.13 1vdy h ALA 18 Ca 0.56 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1vdy h ALA 18 Cb 0.88 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1vdy h ALA 18 CO -0.34 0.54 -0.17 1.33 0.00 0.00 0.00 179.25 180.61 1vdy n VAL 19 N -4.17 0.00 -2.01 0.00 0.24 0.18 -3.93 118.33 108.64 1vdy n VAL 19 Ca 0.01 -0.26 -0.02 0.00 -2.04 0.00 0.00 64.34 62.03 1vdy n VAL 19 Cb 0.36 0.78 0.11 0.00 -1.47 0.00 0.00 33.84 33.62 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 0.08 1.74 -1.77 3.34 -2.24 0.63 -4.74 114.28 111.32 1vdy n THR 20 Ca 0.14 -2.99 -0.38 0.00 -2.27 0.00 0.00 64.05 58.55 1vdy n THR 20 Cb 0.42 -0.04 0.05 0.00 -2.10 0.00 0.00 70.33 68.66 1vdy n THR 20 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vdy s SER 21 N -3.14 4.98 0.21 3.42 1.04 0.27 -4.72 113.70 115.77 1vdy s SER 21 Ca 0.39 2.69 0.25 0.00 0.48 0.00 0.00 55.95 59.76 1vdy s SER 21 Cb 0.38 -2.63 0.90 0.00 0.10 0.00 0.00 66.02 64.77 1vdy s SER 21 CO -0.06 -1.76 1.74 -0.90 0.98 0.00 0.00 173.24 173.24 1vdy n ASP 22 N -1.42 0.68 -4.75 7.02 5.75 -1.26 -4.37 116.55 118.19 1vdy n ASP 22 Ca 0.13 0.61 -0.40 0.00 -0.01 0.00 0.00 54.79 55.12 1vdy n ASP 22 Cb 0.46 -0.77 -0.06 0.00 -1.03 0.00 0.00 41.12 39.72 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 -3.19 4.82 0.00 0.11 2.12 -1.26 -4.85 118.70 116.45 1vdy s GLU 23 Ca 0.08 1.49 0.06 0.00 0.36 0.00 0.00 54.97 56.96 1vdy s GLU 23 Cb 0.11 -3.30 0.32 0.00 0.26 0.00 0.00 34.13 31.52 1vdy s GLU 23 CO 0.49 0.45 0.94 -0.40 -0.54 0.00 0.00 175.26 176.20 1vdy n ASP 24 N 1.74 0.00 -4.53 -1.70 5.75 -1.26 -4.75 116.55 111.80 1vdy n ASP 24 Ca -0.01 0.04 -0.39 0.00 -0.01 0.00 0.00 54.79 54.42 1vdy n ASP 24 Cb 0.47 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.33 1vdy n ASP 24 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1vdy n LYS 25 N -1.17 0.83 -1.50 0.11 0.00 -1.26 -4.90 118.16 110.28 1vdy n LYS 25 Ca 0.03 0.05 -0.40 0.00 0.00 0.00 0.00 58.31 58.00 1vdy n LYS 25 Cb 0.03 -2.85 0.02 0.00 0.00 0.00 0.00 35.03 32.24 1vdy n LYS 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1vdy n VAL 26 N 7.78 2.22 -2.45 3.15 3.14 -1.26 -4.91 118.33 126.00 1vdy n VAL 26 Ca 0.44 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.90 1vdy n VAL 26 Cb 0.38 -0.75 -0.02 0.00 -1.06 0.00 0.00 33.84 32.38 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 -1.53 3.57 0.57 1.55 0.00 -1.26 -5.02 121.76 119.63 1vdy s ALA 27 Ca 0.66 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 1vdy s ALA 27 Cb -0.52 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 18.89 1vdy s ALA 27 CO 0.56 -1.35 1.02 -1.25 0.00 0.00 0.00 175.76 174.74 1vdy s PRO 28 N 3.68 3.60 0.11 0.00 0.04 -1.26 -4.94 135.00 136.23 1vdy s PRO 28 Ca 0.54 1.01 -0.28 0.00 0.04 0.00 0.00 61.00 62.31 1vdy s PRO 28 Cb -0.19 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 1vdy s PRO 28 CO 0.16 -0.57 1.62 0.28 0.04 0.00 0.00 177.00 178.53 1vdy h VAL 29 N 0.45 0.32 0.00 -0.36 2.07 -1.99 -1.75 116.25 114.99 1vdy h VAL 29 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1vdy h VAL 29 Cb 1.20 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1vdy h VAL 29 CO 0.60 0.00 0.15 0.10 0.02 0.00 0.00 177.57 178.44 1vdy h TYR 30 N -0.53 0.00 0.01 1.57 -0.00 -1.99 0.56 116.97 116.59 1vdy h TYR 30 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 58.73 58.44 1vdy h TYR 30 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.24 1vdy h TYR 30 CO -0.29 0.00 -1.98 1.63 -0.00 0.00 0.00 178.16 177.52 1vdy n LYS 31 N -2.62 0.66 -0.11 0.10 5.02 -0.71 -3.66 118.16 116.85 1vdy n LYS 31 Ca -0.02 0.20 -0.13 0.00 -2.02 0.00 0.00 58.31 56.34 1vdy n LYS 31 Cb 0.20 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 1vdy n LYS 31 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1vdy h LEU 32 N 0.01 0.80 -1.00 -0.35 3.38 -0.44 -3.13 115.31 114.58 1vdy h LEU 32 Ca -0.39 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.18 1vdy h LEU 32 Cb 2.08 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.55 1vdy h LEU 32 CO 0.06 1.07 0.65 -0.33 0.09 0.00 0.00 178.44 179.98 1vdy h GLU 33 N 0.53 1.19 -0.67 1.13 4.39 -1.17 -2.27 114.58 117.72 1vdy h GLU 33 Ca 0.06 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.79 1vdy h GLU 33 Cb 0.81 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1vdy h GLU 33 CO 0.07 0.79 0.44 0.93 -1.16 0.00 0.00 179.01 180.08 1vdy h GLU 34 N 1.23 0.50 0.13 2.33 5.08 -1.61 0.48 114.58 122.71 1vdy h GLU 34 Ca 0.41 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1vdy h GLU 34 Cb 0.07 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1vdy h GLU 34 CO -0.14 0.33 -0.06 0.82 -1.00 0.00 0.00 179.01 178.95 1vdy h ILE 35 N 0.52 1.04 -0.01 3.13 2.04 -1.48 -2.71 117.51 120.03 1vdy h ILE 35 Ca 0.31 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1vdy h ILE 35 Cb 0.52 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1vdy h ILE 35 CO -0.10 0.23 -0.11 0.00 0.00 0.00 0.00 178.15 178.18 1vdy h ASP 37 N 0.02 0.96 -0.14 0.00 3.32 -0.97 -1.51 116.42 118.10 1vdy h ASP 37 Ca 0.00 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.64 1vdy h ASP 37 Cb 0.21 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1vdy h ASP 37 CO 0.01 1.04 -0.29 -0.07 -1.72 0.00 0.00 179.24 178.21 1vdy h LEU 38 N 0.86 0.51 -0.18 1.55 3.38 -1.01 -2.98 115.31 117.43 1vdy h LEU 38 Ca 0.15 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.62 1vdy h LEU 38 Cb 0.56 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1vdy h LEU 38 CO 0.03 0.97 -0.21 -0.07 0.09 0.00 0.00 178.44 179.26 1vdy h LEU 39 N 0.07 -0.65 -2.09 1.67 3.38 -0.68 -0.12 115.31 116.89 1vdy h LEU 39 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1vdy h LEU 39 Cb 0.89 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1vdy h LEU 39 CO 0.07 -0.25 -0.06 0.08 0.09 0.00 0.00 178.44 178.36 1vdy h ARG 40 N -0.23 0.00 -0.49 1.13 0.11 -1.34 -2.15 114.38 111.41 1vdy h ARG 40 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1vdy h ARG 40 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1vdy h ARG 40 CO -0.32 0.06 0.00 -1.13 0.10 0.00 0.00 179.97 178.68 1vdy n SER 41 N -3.42 3.45 -4.55 0.08 3.41 -0.59 -5.01 113.62 106.99 1vdy n SER 41 Ca -0.02 -1.96 -0.24 0.00 -0.26 0.00 0.00 58.87 56.39 1vdy n SER 41 Cb 0.21 -0.32 -0.09 0.00 -0.26 0.00 0.00 64.21 63.75 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vdy s SER 42 N -1.16 4.05 0.74 4.04 0.01 -0.16 -5.03 113.70 116.19 1vdy s SER 42 Ca 0.38 -0.80 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1vdy s SER 42 Cb 0.21 -0.57 0.04 0.00 0.21 0.00 0.00 66.02 65.91 1vdy s SER 42 CO 0.28 0.04 1.11 -2.28 0.41 0.00 0.00 173.24 172.80 1vdy s HIS 43 N -2.27 2.45 0.32 2.43 2.46 -1.26 -4.82 115.29 114.61 1vdy s HIS 43 Ca 0.29 1.58 0.06 0.00 0.47 0.00 0.00 55.06 57.46 1vdy s HIS 43 Cb -0.06 -3.16 0.71 0.00 -0.13 0.00 0.00 32.58 29.94 1vdy s HIS 43 CO 0.17 -1.93 1.85 -0.24 -2.47 0.00 0.00 174.74 172.12 1vdy h VAL 44 N -0.69 0.85 -0.63 0.89 3.04 -1.99 -0.22 116.25 117.50 1vdy h VAL 44 Ca -0.45 -0.28 0.02 0.00 -1.01 0.00 0.00 66.70 64.98 1vdy h VAL 44 Cb 1.25 -0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.46 1vdy h VAL 44 CO 0.51 0.15 0.42 -1.28 -1.01 0.00 0.00 177.57 176.36 1vdy h SER 45 N 0.82 0.69 -0.13 3.17 0.87 -1.99 -0.69 113.55 116.28 1vdy h SER 45 Ca 0.48 -0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.82 1vdy h SER 45 Cb 0.65 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1vdy h SER 45 CO -0.25 0.49 -0.70 0.40 -0.53 0.00 0.00 176.83 176.24 1vdy h ILE 46 N 0.80 1.29 -0.73 2.23 1.08 -1.40 0.01 117.51 120.79 1vdy h ILE 46 Ca 0.24 -1.92 0.01 0.00 -0.39 0.00 0.00 64.86 62.81 1vdy h ILE 46 Cb -0.02 1.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.58 1vdy h ILE 46 CO -0.06 0.61 0.48 0.58 -0.69 0.00 0.00 178.15 179.07 1vdy h VAL 47 N 0.54 1.17 0.09 1.67 2.07 -0.91 0.20 116.25 121.08 1vdy h VAL 47 Ca -0.03 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1vdy h VAL 47 Cb 1.32 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1vdy h VAL 47 CO 0.14 0.18 -0.04 0.11 0.02 0.00 0.00 177.57 177.98 1vdy h LYS 48 N 0.98 -0.11 -0.51 1.57 1.57 -1.07 -1.85 116.57 117.14 1vdy h LYS 48 Ca 0.27 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.17 1vdy h LYS 48 Cb -0.09 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1vdy h LYS 48 CO -0.07 0.27 0.35 0.93 -0.57 0.00 0.00 179.45 180.36 1vdy h GLU 49 N -0.51 0.22 0.45 3.15 4.39 -0.73 -0.19 114.58 121.35 1vdy h GLU 49 Ca -0.01 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1vdy h GLU 49 Cb 0.43 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1vdy h GLU 49 CO 0.02 0.14 -0.22 0.74 -1.16 0.00 0.00 179.01 178.54 1vdy h PHE 50 N 0.22 -0.56 -0.75 4.33 0.04 -0.75 -2.51 116.94 116.96 1vdy h PHE 50 Ca 0.24 -0.01 0.17 0.00 2.80 0.00 0.00 57.97 61.17 1vdy h PHE 50 Cb 0.66 0.18 -0.12 0.00 2.20 0.00 0.00 35.95 38.87 1vdy h PHE 50 CO -0.00 -0.24 0.12 0.66 -0.60 0.00 0.00 178.31 178.25 1vdy h SER 51 N -1.01 -0.12 -0.23 2.17 4.64 -0.44 -1.64 113.55 116.93 1vdy h SER 51 Ca -0.06 0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1vdy h SER 51 Cb 0.57 0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.86 1vdy h SER 51 CO 0.10 -0.10 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.52 1vdy h GLU 52 N 0.20 -0.07 0.00 4.77 4.39 -1.09 -1.68 114.58 121.10 1vdy h GLU 52 Ca 0.43 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.08 1vdy h GLU 52 Cb 0.76 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1vdy h GLU 52 CO -0.58 -0.05 -0.23 0.74 -1.16 0.00 0.00 179.01 177.74 1vdy h PHE 53 N -0.07 0.00 -0.18 4.33 0.04 -0.84 -2.73 116.94 117.50 1vdy h PHE 53 Ca 0.12 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.82 1vdy h PHE 53 Cb 0.25 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 1vdy h PHE 53 CO -0.28 0.23 -0.19 0.82 -0.60 0.00 0.00 178.31 178.30 1vdy h ILE 54 N 0.00 1.34 -0.92 -0.55 2.04 -0.96 -3.04 117.51 115.42 1vdy h ILE 54 Ca -0.00 -1.36 0.05 0.00 1.00 0.00 0.00 64.86 64.56 1vdy h ILE 54 Cb 0.50 1.83 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 1vdy h ILE 54 CO 0.03 0.41 0.60 -0.07 0.00 0.00 0.00 178.15 179.12 1vdy h LEU 55 N 0.09 0.95 -1.09 1.44 3.38 -1.15 -1.23 115.31 117.71 1vdy h LEU 55 Ca 0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1vdy h LEU 55 Cb 0.73 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1vdy h LEU 55 CO 0.05 0.63 0.62 0.11 0.09 0.00 0.00 178.44 179.93 1vdy h LYS 56 N 1.09 1.12 0.00 1.13 1.79 -1.38 -1.96 116.57 118.36 1vdy h LYS 56 Ca 0.38 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 1vdy h LYS 56 Cb 0.12 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1vdy h LYS 56 CO -0.13 0.74 -0.05 0.00 -1.08 0.00 0.00 179.45 178.93 1vdy h ARG 57 N 1.16 0.00 0.00 3.15 -0.00 -1.19 -1.76 114.38 115.73 1vdy h ARG 57 Ca 0.38 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.82 1vdy h ARG 57 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 1vdy h ARG 57 CO -0.13 0.05 -0.20 -0.07 0.00 0.00 0.00 179.97 179.62 1vdy h LEU 58 N 0.00 0.00 -0.25 3.04 -0.00 -1.37 -1.90 115.31 114.83 1vdy h LEU 58 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1vdy h LEU 58 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1vdy h LEU 58 CO 0.01 0.20 -0.23 -0.67 -0.00 0.00 0.00 178.44 177.74 1vdy n ASP 59 N -4.04 0.63 -4.77 -0.43 2.03 -0.67 -4.90 116.55 104.41 1vdy n ASP 59 Ca -0.02 -0.52 -0.40 0.00 0.52 0.00 0.00 54.79 54.37 1vdy n ASP 59 Cb 0.27 0.03 0.01 0.00 -0.72 0.00 0.00 41.12 40.72 1vdy n ASP 59 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1vdy s ASN 60 N -2.64 6.00 0.20 1.67 3.84 -0.71 -4.94 114.94 118.36 1vdy s ASN 60 Ca 0.22 2.86 -0.06 0.00 0.21 0.00 0.00 52.86 56.10 1vdy s ASN 60 Cb 0.19 -2.65 0.15 0.00 -0.55 0.00 0.00 41.25 38.39 1vdy s ASN 60 CO 0.54 -1.09 1.62 0.50 -2.79 0.00 0.00 177.10 175.89 1vdy h LYS 61 N 2.43 0.85 -6.59 0.43 3.11 -1.92 -3.44 116.57 111.45 1vdy h LYS 61 Ca -0.51 -0.33 -0.53 0.00 -2.81 0.00 0.00 60.65 56.48 1vdy h LYS 61 Cb 1.26 -0.05 0.03 0.00 -1.00 0.00 0.00 32.23 32.48 1vdy h LYS 61 CO 0.62 0.97 0.77 0.45 -2.81 0.00 0.00 179.45 179.45 1vdy s SER 62 N -6.72 6.74 0.35 4.20 0.15 -1.26 -4.91 113.70 112.24 1vdy s SER 62 Ca -0.10 2.45 0.06 0.00 0.70 0.00 0.00 55.95 59.06 1vdy s SER 62 Cb 0.13 -2.59 0.65 0.00 -1.71 0.00 0.00 66.02 62.50 1vdy s SER 62 CO 0.84 -0.70 1.87 1.55 1.20 0.00 0.00 173.24 178.00 1vdy h PRO 63 N 6.60 0.41 0.48 5.44 0.13 -1.94 -2.93 132.00 140.18 1vdy h PRO 63 Ca -0.43 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1vdy h PRO 63 Cb 1.21 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1vdy h PRO 63 CO 0.87 0.50 -0.50 0.82 -0.23 0.00 0.00 178.00 179.46 1vdy h ILE 64 N 0.39 0.00 -1.01 -3.56 1.08 -1.90 -2.46 117.51 110.05 1vdy h ILE 64 Ca 0.08 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.79 1vdy h ILE 64 Cb 0.38 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.02 1vdy h ILE 64 CO 0.02 0.00 0.61 0.58 -0.69 0.00 0.00 178.15 178.67 1vdy h VAL 65 N -0.98 0.57 0.24 1.67 2.07 -1.72 -0.41 116.25 117.68 1vdy h VAL 65 Ca -0.06 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1vdy h VAL 65 Cb 0.85 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1vdy h VAL 65 CO -0.07 0.11 -0.16 0.11 0.02 0.00 0.00 177.57 177.57 1vdy h LYS 66 N 0.59 -0.36 -0.99 1.57 1.79 -1.31 -2.64 116.57 115.22 1vdy h LYS 66 Ca 0.63 0.02 0.15 0.00 -2.18 0.00 0.00 60.65 59.27 1vdy h LYS 66 Cb 1.21 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 31.85 1vdy h LYS 66 CO -0.43 -0.24 0.62 0.37 -1.08 0.00 0.00 179.45 178.69 1vdy h GLN 67 N -0.38 0.85 -0.40 3.15 -0.00 -1.10 -1.66 115.11 115.57 1vdy h GLN 67 Ca -0.03 -0.05 0.07 0.00 -0.00 0.00 0.00 58.65 58.64 1vdy h GLN 67 Cb 0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 27.48 27.53 1vdy h GLN 67 CO 0.02 0.56 0.01 0.87 0.00 0.00 0.00 178.83 180.30 1vdy h LYS 68 N 0.87 0.12 -0.04 1.69 1.79 -1.01 -1.59 116.57 118.40 1vdy h LYS 68 Ca 0.52 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 1vdy h LYS 68 Cb 0.67 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1vdy h LYS 68 CO -0.30 0.08 0.03 0.00 -1.08 0.00 0.00 179.45 178.18 1vdy h ALA 69 N 1.34 0.05 -0.39 3.86 0.00 -0.94 -2.28 119.26 120.91 1vdy h ALA 69 Ca 0.20 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1vdy h ALA 69 Cb 0.27 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1vdy h ALA 69 CO -0.32 -0.44 -0.34 -0.07 0.00 0.00 0.00 179.25 178.08 1vdy h LEU 70 N 0.04 -1.13 -0.72 0.00 -0.00 -0.90 -0.22 115.31 112.38 1vdy h LEU 70 Ca 0.02 0.19 -0.02 0.00 -0.00 0.00 0.00 57.88 58.07 1vdy h LEU 70 Cb 0.01 0.52 -0.03 0.00 -0.00 0.00 0.00 40.66 41.16 1vdy h LEU 70 CO -0.00 -0.33 0.37 -0.09 -0.00 0.00 0.00 178.44 178.39 1vdy h ARG 71 N -0.27 1.01 -0.57 1.13 1.12 -1.28 -2.71 114.38 112.81 1vdy h ARG 71 Ca 0.16 -0.13 -0.05 0.00 -1.11 0.00 0.00 59.98 58.85 1vdy h ARG 71 Cb 0.55 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.29 1vdy h ARG 71 CO -0.53 0.77 0.15 1.25 -3.11 0.00 0.00 179.97 178.49 1vdy h LEU 72 N 0.99 0.81 0.72 3.80 5.85 -0.66 -0.92 115.31 125.90 1vdy h LEU 72 Ca 0.25 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1vdy h LEU 72 Cb 0.07 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1vdy h LEU 72 CO -0.04 0.79 -0.48 0.40 -0.34 0.00 0.00 178.44 178.77 1vdy h ILE 73 N 0.84 0.00 -0.84 4.05 2.04 -0.76 0.28 117.51 123.12 1vdy h ILE 73 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1vdy h ILE 73 Cb 0.29 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 1vdy h ILE 73 CO -0.00 0.00 0.54 0.07 0.00 0.00 0.00 178.15 178.76 1vdy h LYS 74 N -1.13 1.12 -0.62 2.37 2.10 -1.49 -0.23 116.57 118.68 1vdy h LYS 74 Ca -0.10 -0.08 -0.07 0.00 -2.00 0.00 0.00 60.65 58.41 1vdy h LYS 74 Cb 0.92 -0.25 -0.03 0.00 -0.90 0.00 0.00 32.23 31.98 1vdy h LYS 74 CO 0.07 0.76 0.13 -0.92 -2.00 0.00 0.00 179.45 177.49 1vdy h TYR 75 N 1.14 1.07 -0.28 0.07 5.03 -0.99 -3.08 116.97 119.93 1vdy h TYR 75 Ca 0.31 -0.14 -0.16 0.00 2.58 0.00 0.00 58.73 61.32 1vdy h TYR 75 Cb -0.10 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 37.88 1vdy h TYR 75 CO -0.01 0.90 -0.46 0.00 -1.32 0.00 0.00 178.16 177.27 1vdy h ALA 76 N 1.04 0.44 -2.33 1.82 0.00 -0.12 -3.45 119.26 116.67 1vdy h ALA 76 Ca 0.19 -0.48 -0.50 0.00 0.00 0.00 0.00 54.91 54.12 1vdy h ALA 76 Cb 0.39 -0.08 0.14 0.00 0.00 0.00 0.00 17.79 18.24 1vdy h ALA 76 CO 0.01 0.59 0.29 0.54 0.00 0.00 0.00 179.25 180.67 1vdy s VAL 77 N -4.18 3.02 0.00 0.00 0.11 -0.13 -1.86 120.40 117.37 1vdy s VAL 77 Ca -0.11 0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 1vdy s VAL 77 Cb 0.09 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.12 1vdy s VAL 77 CO 0.87 -0.43 0.00 0.61 -3.33 0.00 0.00 175.10 172.82 1vdy n GLY 78 N -1.20 2.03 0.00 6.54 0.00 -1.26 -4.58 105.19 106.72 1vdy n GLY 78 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1vdy n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vdy n LYS 79 N -2.00 0.50 0.28 1.61 2.85 -1.24 -4.95 118.16 115.21 1vdy n LYS 79 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1vdy n LYS 79 Cb 0.00 -0.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.82 1vdy n LYS 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vdy h SER 80 N 0.00 -0.77 0.00 -5.58 4.64 -1.62 -3.49 113.55 106.73 1vdy h SER 80 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1vdy h SER 80 Cb 0.00 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1vdy h SER 80 CO 0.00 -0.48 0.00 0.61 -0.87 0.00 0.00 176.83 176.09 1vdy n GLY 81 N -1.39 -1.51 0.09 -0.77 0.00 -1.26 -4.41 105.19 95.92 1vdy n GLY 81 Ca -0.09 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 0.19 -0.46 1.61 4.64 -2.00 -3.32 113.55 114.21 1vdy h SER 82 Ca 0.00 -0.24 0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1vdy h SER 82 Cb 0.00 -0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 61.94 1vdy h SER 82 CO 0.00 1.19 -0.12 -0.33 -0.87 0.00 0.00 176.83 176.70 1vdy h GLU 83 N 0.03 -0.01 -0.66 4.77 3.07 -2.00 -0.05 114.58 119.73 1vdy h GLU 83 Ca -0.14 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1vdy h GLU 83 Cb 1.91 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.79 1vdy h GLU 83 CO 0.14 -0.01 0.41 0.35 -1.40 0.00 0.00 179.01 178.50 1vdy h PHE 84 N -0.01 0.86 -0.07 4.33 3.57 -1.91 -2.20 116.94 121.51 1vdy h PHE 84 Ca 0.22 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1vdy h PHE 84 Cb 0.35 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1vdy h PHE 84 CO -0.40 0.57 -0.12 -0.09 -2.23 0.00 0.00 178.31 176.04 1vdy h ARG 85 N 0.90 -0.17 0.12 1.11 2.43 -1.16 -0.79 114.38 116.82 1vdy h ARG 85 Ca 0.24 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1vdy h ARG 85 Cb -0.05 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1vdy h ARG 85 CO -0.05 -0.11 -0.11 0.00 -1.51 0.00 0.00 179.97 178.19 1vdy h ARG 86 N -0.17 -0.24 -0.89 0.20 2.47 -0.91 -1.44 114.38 113.40 1vdy h ARG 86 Ca 0.07 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.87 1vdy h ARG 86 Cb 0.27 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.58 1vdy h ARG 86 CO -0.17 -0.16 0.55 0.93 0.56 0.00 0.00 179.97 181.68 1vdy h GLU 87 N -0.25 0.96 -0.12 0.04 4.39 -1.30 0.08 114.58 118.38 1vdy h GLU 87 Ca 0.00 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.65 1vdy h GLU 87 Cb 0.24 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1vdy h GLU 87 CO -0.03 0.64 0.05 0.52 -1.16 0.00 0.00 179.01 179.03 1vdy h MET 88 N 0.99 0.11 -0.66 2.33 2.86 -0.58 -2.12 114.93 117.86 1vdy h MET 88 Ca 0.39 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.95 1vdy h MET 88 Cb 0.20 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1vdy h MET 88 CO -0.18 0.07 0.10 -0.56 1.06 0.00 0.00 176.91 177.40 1vdy h GLN 89 N 0.11 1.10 -0.89 1.72 3.07 -0.47 -1.58 115.11 118.16 1vdy h GLN 89 Ca 0.05 -0.30 0.10 0.00 0.09 0.00 0.00 58.65 58.59 1vdy h GLN 89 Cb 0.02 -0.13 -0.07 0.00 0.08 0.00 0.00 27.48 27.38 1vdy h GLN 89 CO -0.04 1.01 0.54 -0.09 0.09 0.00 0.00 178.83 180.34 1vdy h ARG 90 N 1.02 0.87 -0.49 0.06 2.43 -0.67 -2.67 114.38 114.94 1vdy h ARG 90 Ca 0.20 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1vdy h ARG 90 Cb 0.45 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1vdy h ARG 90 CO 0.01 0.58 0.00 0.09 -1.51 0.00 0.00 179.97 179.14 1vdy n ASN 91 N -4.68 3.41 0.00 -3.80 3.02 -0.83 -4.69 115.26 107.69 1vdy n ASN 91 Ca 0.15 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1vdy n ASN 91 Cb 0.28 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 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 0.89 0.00 -0.13 6.41 3.41 -0.61 -2.72 113.62 120.87 1vdy n SER 92 Ca 0.17 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 1vdy n SER 92 Cb 0.53 -0.26 0.48 0.00 -0.26 0.00 0.00 64.21 64.70 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 0.87 -0.06 -3.33 3.04 -1.83 -0.64 116.25 114.30 1vdy h VAL 93 Ca 0.00 -0.16 -0.10 0.00 -1.01 0.00 0.00 66.70 65.43 1vdy h VAL 93 Cb 0.12 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 29.75 1vdy h VAL 93 CO 0.00 0.09 -0.41 0.00 -1.01 0.00 0.00 177.57 176.23 1vdy h ALA 94 N 1.66 1.21 -0.00 3.17 0.00 -1.93 -1.50 119.26 121.87 1vdy h ALA 94 Ca 0.32 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1vdy h ALA 94 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1vdy h ALA 94 CO -0.10 0.56 -0.17 0.28 0.00 0.00 0.00 179.25 179.82 1vdy h VAL 95 N 0.10 1.56 -0.39 0.00 2.07 -1.41 -3.26 116.25 114.92 1vdy h VAL 95 Ca 0.01 -1.88 0.06 0.00 0.82 0.00 0.00 66.70 65.70 1vdy h VAL 95 Cb 0.77 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 1vdy h VAL 95 CO 0.06 0.51 0.27 0.03 0.02 0.00 0.00 177.57 178.45 1vdy h ARG 96 N -0.57 0.29 0.00 1.57 3.08 -1.22 -1.16 114.38 116.36 1vdy h ARG 96 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1vdy h ARG 96 Cb 0.92 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1vdy h ARG 96 CO 0.03 0.19 0.00 0.09 -1.07 0.00 0.00 179.97 179.21 1vdy n ASN 97 N -4.48 0.40 -0.29 7.04 3.02 -0.57 -1.64 115.26 118.74 1vdy n ASN 97 Ca 0.05 0.65 0.12 0.00 -0.03 0.00 0.00 54.58 55.37 1vdy n ASN 97 Cb 0.25 -0.72 0.15 0.00 -0.61 0.00 0.00 39.78 38.85 1vdy n ASN 97 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1vdy n LEU 98 N -2.00 1.38 0.00 3.41 4.77 -0.44 -4.22 117.00 119.90 1vdy n LEU 98 Ca 0.00 -0.46 0.02 0.00 -0.03 0.00 0.00 56.01 55.54 1vdy n LEU 98 Cb 0.09 -0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1vdy n LEU 98 CO 0.11 0.27 0.49 0.49 -1.33 0.00 0.00 177.39 177.41 1vdy n PHE 99 N -0.58 0.00 -2.25 -1.77 3.72 -0.65 -1.01 117.46 114.93 1vdy n PHE 99 Ca 0.09 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.52 1vdy n PHE 99 Cb 0.39 -0.32 0.01 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.32 0.00 -2.41 1.38 1.44 -1.26 -5.05 115.22 108.00 1vdy n HIS 100 Ca 0.02 -0.28 -0.38 0.00 -2.01 0.00 0.00 57.72 55.07 1vdy n HIS 100 Cb 0.03 -0.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.01 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 -0.05 2.24 0.22 -1.40 5.04 -0.18 -4.83 117.35 118.39 1vdy s TYR 101 Ca 0.18 -0.19 0.25 0.00 -2.44 0.00 0.00 57.07 54.88 1vdy s TYR 101 Cb 0.21 -4.50 1.09 0.00 0.35 0.00 0.00 41.96 39.11 1vdy s TYR 101 CO -0.09 -1.99 1.90 1.57 -1.34 0.00 0.00 175.55 175.61 1vdy h LYS 102 N 10.69 0.00 0.00 4.97 2.10 -1.95 -3.44 116.57 128.93 1vdy h LYS 102 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1vdy h LYS 102 Cb 1.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1vdy h LYS 102 CO 1.33 0.19 -0.00 0.41 -2.00 0.00 0.00 179.45 179.37 1vdy n GLY 103 N -0.09 -1.77 3.36 0.07 0.00 -1.26 -4.89 105.19 100.60 1vdy n GLY 103 Ca -0.00 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 1vdy n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vdy s HIS 104 N -0.04 2.55 -0.51 1.61 0.09 -1.26 -5.08 115.29 112.66 1vdy s HIS 104 Ca 0.00 -0.48 -0.28 0.00 -0.00 0.00 0.00 55.06 54.31 1vdy s HIS 104 Cb 0.00 -1.62 -0.00 0.00 -0.00 0.00 0.00 32.58 30.95 1vdy s HIS 104 CO 0.00 -0.05 1.62 -1.25 -0.00 0.00 0.00 174.74 175.06 1vdy s PRO 105 N -0.36 3.16 0.10 8.40 0.04 -1.26 -4.49 135.00 140.58 1vdy s PRO 105 Ca 0.03 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.54 1vdy s PRO 105 Cb -0.12 -4.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.16 1vdy s PRO 105 CO 0.02 -2.10 0.97 -0.51 0.04 0.00 0.00 177.00 175.42 1vdy s ASP 106 N 5.76 7.48 0.25 6.66 1.01 -1.26 -4.83 116.67 131.73 1vdy s ASP 106 Ca 0.64 1.78 0.09 0.00 0.71 0.00 0.00 52.55 55.77 1vdy s ASP 106 Cb -0.14 -2.59 0.28 0.00 1.01 0.00 0.00 42.92 41.48 1vdy s ASP 106 CO 0.27 -0.09 1.57 1.55 0.21 0.00 0.00 175.17 178.67 1vdy h PRO 107 N 5.72 0.05 -0.10 8.23 0.13 -1.98 0.39 132.00 144.45 1vdy h PRO 107 Ca -0.43 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 1vdy h PRO 107 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1vdy h PRO 107 CO 0.72 0.69 -0.56 1.37 -0.23 0.00 0.00 178.00 179.99 1vdy h LEU 108 N 0.03 0.33 0.00 1.56 -0.00 -2.02 -3.37 115.31 111.84 1vdy h LEU 108 Ca -0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1vdy h LEU 108 Cb 1.17 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1vdy h LEU 108 CO 0.09 0.82 -0.16 0.29 -0.00 0.00 0.00 178.44 179.48 1vdy n LYS 109 N -3.92 5.40 -3.28 0.17 4.76 -1.22 -5.08 118.16 114.99 1vdy n LYS 109 Ca -0.02 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.31 1vdy n LYS 109 Cb 0.59 -0.54 0.02 0.00 -1.84 0.00 0.00 35.03 33.25 1vdy n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vdy n GLY 110 N 1.15 -1.21 4.73 0.72 0.00 0.14 -2.92 105.19 107.80 1vdy n GLY 110 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.27 0.00 -0.31 1.61 8.00 -1.25 -4.81 116.55 117.53 1vdy n ASP 111 Ca -0.07 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.55 1vdy n ASP 111 Cb 0.56 -0.88 0.30 0.00 -0.02 0.00 0.00 41.12 41.08 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vdy h ALA 112 N 0.00 1.43 -0.18 2.24 0.00 -1.89 0.31 119.26 121.17 1vdy h ALA 112 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1vdy h ALA 112 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1vdy h ALA 112 CO 0.00 -0.31 -0.00 -0.07 0.00 0.00 0.00 179.25 178.87 1vdy h LEU 113 N 0.43 -0.07 -0.84 0.00 3.38 -1.87 -2.75 115.31 113.58 1vdy h LEU 113 Ca 0.55 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.46 1vdy h LEU 113 Cb 1.02 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1vdy h LEU 113 CO -0.51 -0.01 -0.23 0.78 0.09 0.00 0.00 178.44 178.56 1vdy h ASN 114 N 0.06 0.61 -0.66 -0.43 2.35 -1.30 -3.05 115.58 113.16 1vdy h ASN 114 Ca 0.08 -0.21 0.11 0.00 -0.55 0.00 0.00 56.30 55.73 1vdy h ASN 114 Cb 0.11 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 38.23 1vdy h ASN 114 CO -0.15 0.83 0.25 0.50 -1.65 0.00 0.00 177.43 177.22 1vdy h LYS 115 N 0.53 0.41 0.00 0.81 3.11 -0.86 -1.17 116.57 119.40 1vdy h LYS 115 Ca 0.08 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.85 1vdy h LYS 115 Cb 0.69 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 1vdy h LYS 115 CO 0.05 0.27 -0.23 0.00 -2.81 0.00 0.00 179.45 176.74 1vdy h ALA 116 N 1.46 1.17 0.46 5.00 0.00 -1.43 -2.94 119.26 122.98 1vdy h ALA 116 Ca 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1vdy h ALA 116 Cb 0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1vdy h ALA 116 CO -0.34 0.28 -0.29 0.28 0.00 0.00 0.00 179.25 179.19 1vdy h VAL 117 N 0.00 0.00 -0.08 0.00 2.07 -1.26 -1.95 116.25 115.03 1vdy h VAL 117 Ca -0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1vdy h VAL 117 Cb 0.59 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1vdy h VAL 117 CO 0.03 0.00 -0.32 0.08 0.02 0.00 0.00 177.57 177.38 1vdy h ARG 118 N -0.70 0.16 0.46 1.57 -0.00 -1.64 -1.01 114.38 113.22 1vdy h ARG 118 Ca -0.06 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.98 59.85 1vdy h ARG 118 Cb 0.56 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.51 1vdy h ARG 118 CO 0.06 0.47 -0.33 0.93 -0.00 0.00 0.00 179.97 181.10 1vdy h GLU 119 N 0.14 -0.74 0.00 0.08 4.39 -1.45 -2.09 114.58 114.91 1vdy h GLU 119 Ca 0.02 0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1vdy h GLU 119 Cb 0.64 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1vdy h GLU 119 CO 0.05 -0.49 -0.26 1.15 -1.16 0.00 0.00 179.01 178.29 1vdy h THR 120 N -0.77 0.73 -0.73 1.13 2.02 -1.28 -3.11 112.91 110.90 1vdy h THR 120 Ca -0.05 -1.13 0.12 0.00 0.77 0.00 0.00 66.41 66.13 1vdy h THR 120 Cb 0.65 1.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 1vdy h THR 120 CO 0.02 0.26 0.48 0.00 0.37 0.00 0.00 175.52 176.65 1vdy h ALA 121 N 1.74 1.97 0.47 6.16 0.00 -0.45 -1.05 119.26 128.09 1vdy h ALA 121 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1vdy h ALA 121 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1vdy h ALA 121 CO 0.03 -0.14 -0.23 0.45 0.00 0.00 0.00 179.25 179.37 1vdy h HIS 122 N 0.52 -0.59 -0.51 0.00 -0.00 -1.47 -2.70 115.15 110.40 1vdy h HIS 122 Ca 0.35 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.79 1vdy h HIS 122 Cb 0.63 0.19 -0.08 0.00 -0.00 0.00 0.00 27.41 28.16 1vdy h HIS 122 CO -0.00 -0.29 0.07 0.93 -0.00 0.00 0.00 177.93 178.64 1vdy h GLU 123 N -0.82 0.19 -0.26 2.45 4.39 -1.56 -1.18 114.58 117.79 1vdy h GLU 123 Ca -0.06 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.69 1vdy h GLU 123 Cb 0.57 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.10 1vdy h GLU 123 CO 0.11 0.13 -0.24 1.15 -1.16 0.00 0.00 179.01 178.99 1vdy h THR 124 N 0.20 0.38 0.17 1.13 2.02 -1.18 0.25 112.91 115.88 1vdy h THR 124 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1vdy h THR 124 Cb 0.37 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1vdy h THR 124 CO -0.37 0.00 -0.08 0.40 0.37 0.00 0.00 175.52 175.84 1vdy h ILE 125 N -0.24 0.84 -0.22 3.11 1.08 -1.02 -1.94 117.51 119.11 1vdy h ILE 125 Ca 0.14 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.67 1vdy h ILE 125 Cb 0.46 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1vdy h ILE 125 CO -0.40 0.00 0.29 0.28 -0.69 0.00 0.00 178.15 177.64 1vdy h SER 126 N -0.23 0.00 0.07 1.72 0.02 -0.69 -0.22 113.55 114.22 1vdy h SER 126 Ca -0.02 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.70 1vdy h SER 126 Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1vdy h SER 126 CO 0.04 0.00 -1.16 0.00 -1.14 0.00 0.00 176.83 174.56 1vdy h ALA 127 N 1.63 0.18 -0.27 3.77 0.00 -0.58 -2.66 119.26 121.32 1vdy h ALA 127 Ca 0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 1vdy h ALA 127 Cb 0.69 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1vdy h ALA 127 CO -0.00 0.67 0.07 0.82 0.00 0.00 0.00 179.25 180.81 1vdy h ILE 128 N -0.60 1.21 -0.21 0.00 2.04 -0.81 -2.75 117.51 116.39 1vdy h ILE 128 Ca -0.27 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1vdy h ILE 128 Cb 1.52 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1vdy h ILE 128 CO -0.02 0.22 0.00 0.49 0.00 0.00 0.00 178.15 178.84 1vdy n PHE 129 N -4.71 0.65 -1.65 1.37 3.01 -0.14 -4.93 117.46 111.05 1vdy n PHE 129 Ca -0.03 -0.23 -0.34 0.00 1.01 0.00 0.00 57.45 57.86 1vdy n PHE 129 Cb 0.17 -0.20 0.07 0.00 -0.01 0.00 0.00 39.48 39.51 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 -0.39 4.68 -0.54 4.37 0.15 -1.00 -4.94 113.70 116.03 1vdy s SER 130 Ca 0.18 2.25 -0.03 0.00 0.70 0.00 0.00 55.95 59.06 1vdy s SER 130 Cb 0.13 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 62.00 1vdy s SER 130 CO 0.06 -1.93 0.34 -1.61 1.20 0.00 0.00 173.24 171.31 1vdy s GLU 131 N -3.84 2.33 1.24 5.44 2.02 -1.26 -5.04 118.70 119.60 1vdy s GLU 131 Ca 0.73 -2.26 -0.21 0.00 0.02 0.00 0.00 54.97 53.25 1vdy s GLU 131 Cb -0.27 -3.66 0.31 0.00 0.10 0.00 0.00 34.13 30.61 1vdy s GLU 131 CO 0.41 -1.13 1.01 -0.85 0.02 0.00 0.00 175.26 174.72 1vdy n GLU 132 N 3.91 -3.49 -1.68 1.61 0.00 -1.26 -4.92 120.64 114.82 1vdy n GLU 132 Ca 0.04 -1.63 -0.50 0.00 0.00 0.00 0.00 57.16 55.07 1vdy n GLU 132 Cb 0.39 -1.64 -0.05 0.00 0.00 0.00 0.00 31.44 30.13 1vdy n GLU 132 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1vdy n ASN 133 N -5.03 2.93 -0.07 -1.84 6.94 -1.26 -4.85 115.26 112.08 1vdy n ASN 133 Ca 0.14 1.03 0.24 0.00 -0.02 0.00 0.00 54.58 55.98 1vdy n ASN 133 Cb 0.57 -1.31 0.72 0.00 -2.36 0.00 0.00 39.78 37.40 1vdy n ASN 133 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1vdy h GLY 134 N 7.56 0.00 -7.26 4.83 0.00 -2.03 -3.36 103.07 102.80 1vdy h GLY 134 Ca -0.47 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.41 1vdy h GLY 134 CO 0.92 0.00 1.20 -1.35 0.00 0.00 0.00 176.54 177.31 1vdy s SER 135 N -5.69 5.81 0.10 0.19 1.04 -1.26 -4.88 113.70 109.01 1vdy s SER 135 Ca -0.05 -1.24 -0.09 0.00 0.48 0.00 0.00 55.95 55.06 1vdy s SER 135 Cb 0.20 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.78 1vdy s SER 135 CO 0.71 -2.16 0.42 0.61 0.98 0.00 0.00 173.24 173.80 1vdy n GLY 136 N 6.63 1.13 3.75 7.32 0.00 -1.26 -5.17 105.19 117.59 1vdy n GLY 136 Ca 0.39 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1vdy n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vdy s PRO 137 N -2.03 2.60 0.10 1.61 0.04 -1.26 -5.07 135.00 131.00 1vdy s PRO 137 Ca 0.09 1.64 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 1vdy s PRO 137 Cb -0.01 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1vdy s PRO 137 CO 0.03 -1.45 0.13 -1.54 0.04 0.00 0.00 177.00 174.21 1vdy s SER 138 N -2.11 0.23 0.33 6.66 1.04 -1.26 -5.18 113.70 113.41 1vdy s SER 138 Ca 0.72 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 56.27 1vdy s SER 138 Cb -0.26 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 1vdy s SER 138 CO 0.40 -0.73 0.45 -0.44 0.98 0.00 0.00 173.24 173.90 1vdy s SER 139 N -2.93 0.93 0.00 7.02 0.01 -1.26 -5.33 113.70 112.14 1vdy s SER 139 Ca 0.11 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1vdy s SER 139 Cb 0.06 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1vdy s SER 139 CO -0.07 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 172.94