#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5o s ILE 2 N 0.00 4.80 0.15 0.52 1.01 -1.26 -4.94 121.20 121.47 1f5o s ILE 2 Ca 0.00 2.02 0.09 0.00 0.00 0.00 0.00 60.65 62.76 1f5o s ILE 2 Cb 0.00 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1f5o s ILE 2 CO 0.00 0.13 -0.14 0.68 0.00 0.00 0.00 174.94 175.60 1f5o s VAL 3 N 1.22 2.99 -0.13 2.92 -7.23 -1.26 -5.02 120.40 113.88 1f5o s VAL 3 Ca 0.52 -1.58 0.15 0.00 -1.81 0.00 0.00 61.98 59.25 1f5o s VAL 3 Cb -0.21 -2.42 0.30 0.00 0.56 0.00 0.00 36.38 34.61 1f5o s VAL 3 CO 0.26 0.00 1.15 -0.90 -0.31 0.00 0.00 175.10 175.31 1f5o n ASP 4 N 0.45 1.79 -4.06 4.85 5.75 -1.26 -4.37 116.55 119.70 1f5o n ASP 4 Ca -0.13 -3.11 -0.09 0.00 -0.01 0.00 0.00 54.79 51.45 1f5o n ASP 4 Cb 0.54 -0.42 -0.09 0.00 -1.03 0.00 0.00 41.12 40.12 1f5o n ASP 4 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1f5o s THR 5 N -2.42 0.13 0.00 2.12 2.01 -1.26 -4.34 115.64 111.87 1f5o s THR 5 Ca 0.30 -1.68 0.00 0.00 0.31 0.00 0.00 61.69 60.62 1f5o s THR 5 Cb 0.28 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.99 1f5o s THR 5 CO -0.01 -0.57 0.00 0.61 -0.69 0.00 0.00 174.62 173.96 1f5o n GLY 6 N -0.07 1.70 3.14 4.40 0.00 -1.26 -4.87 105.19 108.22 1f5o n GLY 6 Ca -0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1f5o n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f5o s SER 7 N -4.00 0.21 0.06 1.61 0.15 -1.26 -5.04 113.70 105.43 1f5o s SER 7 Ca 0.00 -0.64 0.05 0.00 0.70 0.00 0.00 55.95 56.06 1f5o s SER 7 Cb 0.00 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1f5o s SER 7 CO 0.00 -0.58 -0.15 0.68 1.20 0.00 0.00 173.24 174.39 1f5o s VAL 8 N -3.17 1.17 0.60 4.45 -7.23 -1.26 -5.13 120.40 109.82 1f5o s VAL 8 Ca -0.00 -1.16 -0.19 0.00 -1.81 0.00 0.00 61.98 58.82 1f5o s VAL 8 Cb 0.02 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 1f5o s VAL 8 CO -0.07 -0.08 1.27 0.00 -0.31 0.00 0.00 175.10 175.91 1f5o s ALA 9 N -1.03 2.53 1.04 1.32 0.00 -1.26 -4.97 121.76 119.39 1f5o s ALA 9 Ca 0.01 1.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 1f5o s ALA 9 Cb -0.09 -3.51 0.09 0.00 0.00 0.00 0.00 23.12 19.61 1f5o s ALA 9 CO 0.02 -1.37 0.31 -2.30 0.00 0.00 0.00 175.76 172.42 1f5o n PRO 10 N -1.59 -1.01 -3.19 0.00 -0.02 -1.26 -4.95 135.00 122.98 1f5o n PRO 10 Ca 0.14 -0.26 -0.39 0.00 -2.02 0.00 0.00 63.50 60.97 1f5o n PRO 10 Cb 0.48 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.07 1f5o n PRO 10 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1f5o s LEU 11 N -1.83 4.36 0.55 2.45 1.43 -1.26 -5.06 118.68 119.32 1f5o s LEU 11 Ca 0.58 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 1f5o s LEU 11 Cb -0.17 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 1f5o s LEU 11 CO 0.66 0.03 0.95 -0.94 0.23 0.00 0.00 176.35 177.28 1f5o s SER 12 N 0.22 6.37 0.45 2.29 1.04 -1.26 -4.88 113.70 117.93 1f5o s SER 12 Ca 0.31 1.35 0.14 0.00 0.48 0.00 0.00 55.95 58.24 1f5o s SER 12 Cb -0.17 -2.43 1.07 0.00 0.10 0.00 0.00 66.02 64.58 1f5o s SER 12 CO 0.16 -0.70 2.00 0.00 0.98 0.00 0.00 173.24 175.68 1f5o h ALA 13 N 0.28 2.03 -0.29 5.32 0.00 -1.99 -0.91 119.26 123.70 1f5o h ALA 13 Ca -0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1f5o h ALA 13 Cb 1.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1f5o h ALA 13 CO 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 1f5o h ALA 14 N 1.72 0.40 -0.53 0.00 0.00 -2.00 -2.62 119.26 116.23 1f5o h ALA 14 Ca 0.25 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1f5o h ALA 14 Cb 0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1f5o h ALA 14 CO -0.06 0.15 0.09 0.93 0.00 0.00 0.00 179.25 180.37 1f5o h GLU 15 N 0.31 0.88 -0.93 0.00 5.08 -1.62 -2.66 114.58 115.64 1f5o h GLU 15 Ca 0.08 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1f5o h GLU 15 Cb 0.45 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1f5o h GLU 15 CO 0.02 0.85 0.62 0.87 -1.00 0.00 0.00 179.01 180.36 1f5o h LYS 16 N 0.76 1.20 -0.41 2.33 1.57 -1.18 -1.11 116.57 119.73 1f5o h LYS 16 Ca 0.16 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1f5o h LYS 16 Cb 0.39 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1f5o h LYS 16 CO 0.01 0.80 0.13 1.15 -0.57 0.00 0.00 179.45 180.96 1f5o h THR 17 N 1.24 1.22 -0.44 -0.16 2.02 -1.24 -0.84 112.91 114.71 1f5o h THR 17 Ca 0.35 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1f5o h THR 17 Cb -0.11 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1f5o h THR 17 CO -0.08 0.25 0.13 0.11 0.37 0.00 0.00 175.52 176.30 1f5o h LYS 18 N 0.52 0.69 0.13 6.66 1.57 -1.13 -2.27 116.57 122.74 1f5o h LYS 18 Ca 0.13 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1f5o h LYS 18 Cb 0.26 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1f5o h LYS 18 CO -0.00 0.67 -0.24 0.82 -0.57 0.00 0.00 179.45 180.13 1f5o h ILE 19 N 0.57 0.48 -0.86 1.86 2.04 -1.05 0.24 117.51 120.79 1f5o h ILE 19 Ca 0.14 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.15 1f5o h ILE 19 Cb 0.28 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.76 1f5o h ILE 19 CO -0.00 0.00 0.56 0.03 0.00 0.00 0.00 178.15 178.74 1f5o h ARG 20 N -0.44 0.62 0.07 2.37 3.08 -1.06 0.99 114.38 120.00 1f5o h ARG 20 Ca 0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1f5o h ARG 20 Cb 0.46 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1f5o h ARG 20 CO -0.13 0.41 -0.03 0.77 -1.07 0.00 0.00 179.97 179.92 1f5o h SER 21 N 0.63 -0.08 0.07 7.04 0.02 -0.71 -1.89 113.55 118.63 1f5o h SER 21 Ca 0.43 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1f5o h SER 21 Cb 0.75 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1f5o h SER 21 CO -0.19 0.40 -0.13 0.00 -1.14 0.00 0.00 176.83 175.77 1f5o h ALA 22 N 0.30 1.61 -0.01 3.77 0.00 -0.54 -3.18 119.26 121.21 1f5o h ALA 22 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1f5o h ALA 22 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1f5o h ALA 22 CO 0.02 0.29 -0.08 2.35 0.00 0.00 0.00 179.25 181.82 1f5o h TRP 23 N 0.14 0.09 -0.77 0.00 2.91 -0.80 -3.36 115.95 114.17 1f5o h TRP 23 Ca 0.03 -0.04 0.10 0.00 1.13 0.00 0.00 58.89 60.11 1f5o h TRP 23 Cb 0.32 -0.01 -0.11 0.00 -0.51 0.00 0.00 29.16 28.84 1f5o h TRP 23 CO 0.00 0.78 -0.34 0.00 -1.03 0.00 0.00 178.44 177.85 1f5o n ALA 24 N -2.48 -0.21 -0.00 2.65 0.00 -0.72 -0.86 120.51 118.89 1f5o n ALA 24 Ca -0.09 0.73 -0.11 0.00 0.00 0.00 0.00 53.44 53.97 1f5o n ALA 24 Cb 0.40 -0.27 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 1f5o n ALA 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1f5o h PRO 25 N 0.00 0.12 0.05 0.00 0.11 -1.73 -1.06 132.00 129.49 1f5o h PRO 25 Ca 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1f5o h PRO 25 Cb 0.42 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1f5o h PRO 25 CO -0.75 0.14 -0.06 0.28 -0.21 0.00 0.00 178.00 177.40 1f5o h VAL 26 N 0.07 0.85 0.00 3.15 2.07 -1.14 -2.51 116.25 118.74 1f5o h VAL 26 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1f5o h VAL 26 Cb 0.05 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1f5o h VAL 26 CO -0.01 0.00 -0.18 0.22 0.02 0.00 0.00 177.57 177.63 1f5o h TYR 27 N -0.13 0.00 -0.53 1.57 3.20 -1.05 -2.79 116.97 117.24 1f5o h TYR 27 Ca 0.01 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.02 1f5o h TYR 27 Cb 0.14 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1f5o h TYR 27 CO -0.11 0.18 0.37 1.03 -1.64 0.00 0.00 178.16 177.99 1f5o h SER 28 N 0.00 0.07 -1.26 -2.11 0.87 -0.72 -2.11 113.55 108.30 1f5o h SER 28 Ca -0.00 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 60.12 1f5o h SER 28 Cb 0.54 -0.01 -0.41 0.00 -0.44 0.00 0.00 62.40 62.09 1f5o h SER 28 CO 0.02 0.04 -1.04 0.35 -0.53 0.00 0.00 176.83 175.67 1f5o n THR 29 N -4.41 1.40 0.03 2.23 -2.24 -1.07 -4.95 114.28 105.28 1f5o n THR 29 Ca 0.09 -3.79 0.19 0.00 -2.27 0.00 0.00 64.05 58.27 1f5o n THR 29 Cb 0.55 -0.03 0.68 0.00 -2.10 0.00 0.00 70.33 69.43 1f5o n THR 29 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1f5o h TYR 30 N 2.87 0.00 -0.04 4.78 -0.00 -1.20 -1.75 116.97 121.63 1f5o h TYR 30 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.75 1f5o h TYR 30 Cb 1.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.79 1f5o h TYR 30 CO 0.60 0.00 -0.08 0.93 -0.00 0.00 0.00 178.16 179.62 1f5o h GLU 31 N 0.00 0.05 0.02 0.10 4.39 -1.89 0.26 114.58 117.51 1f5o h GLU 31 Ca 0.22 -0.01 -0.29 0.00 0.34 0.00 0.00 59.36 59.62 1f5o h GLU 31 Cb 0.87 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 1f5o h GLU 31 CO -0.00 0.14 -1.61 2.41 -1.16 0.00 0.00 179.01 178.78 1f5o n THR 32 N -4.41 1.56 0.13 1.13 -1.04 -0.71 -3.67 114.28 107.27 1f5o n THR 32 Ca -0.02 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.05 61.67 1f5o n THR 32 Cb 0.17 -1.96 -0.06 0.00 -1.82 0.00 0.00 70.33 66.66 1f5o n THR 32 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1f5o h SER 33 N -0.84 -0.84 -0.63 8.00 0.02 -1.38 -1.39 113.55 116.49 1f5o h SER 33 Ca -0.43 0.09 0.13 0.00 -0.84 0.00 0.00 61.79 60.74 1f5o h SER 33 Cb 1.47 0.31 -0.10 0.00 0.14 0.00 0.00 62.40 64.22 1f5o h SER 33 CO -0.21 -0.39 0.09 1.23 -1.14 0.00 0.00 176.83 176.41 1f5o h GLY 34 N -0.54 0.78 1.19 -3.77 0.00 -0.69 0.18 103.07 100.22 1f5o h GLY 34 Ca 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1f5o h GLY 34 CO -0.15 -0.16 0.06 -2.08 0.00 0.00 0.00 176.54 174.21 1f5o h VAL 35 N 0.21 1.26 -0.24 4.60 2.07 -1.56 -0.78 116.25 121.81 1f5o h VAL 35 Ca 0.34 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1f5o h VAL 35 Cb 0.54 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1f5o h VAL 35 CO -0.47 0.38 -0.01 0.44 0.02 0.00 0.00 177.57 177.93 1f5o h ASP 36 N 0.92 0.42 -0.45 0.57 3.32 -0.31 0.13 116.42 121.02 1f5o h ASP 36 Ca 0.18 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 56.94 1f5o h ASP 36 Cb 0.46 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1f5o h ASP 36 CO 0.02 0.63 0.25 0.40 -1.72 0.00 0.00 179.24 178.82 1f5o h ILE 37 N 0.19 1.01 -0.26 0.35 2.04 -0.84 0.84 117.51 120.84 1f5o h ILE 37 Ca 0.07 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 1f5o h ILE 37 Cb 0.42 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1f5o h ILE 37 CO 0.01 0.09 -0.25 0.25 0.00 0.00 0.00 178.15 178.25 1f5o h LEU 38 N 0.49 0.66 -1.00 1.44 5.85 -1.06 -1.50 115.31 120.19 1f5o h LEU 38 Ca 0.19 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1f5o h LEU 38 Cb 0.06 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1f5o h LEU 38 CO -0.11 1.00 0.21 0.58 -0.34 0.00 0.00 178.44 179.78 1f5o h VAL 39 N 0.34 1.23 0.04 1.05 2.07 -0.55 -0.11 116.25 120.31 1f5o h VAL 39 Ca 0.04 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1f5o h VAL 39 Cb 0.81 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1f5o h VAL 39 CO 0.06 0.30 -0.02 0.50 0.02 0.00 0.00 177.57 178.43 1f5o h LYS 40 N 0.90 -0.05 -0.36 1.57 3.64 -0.76 -1.74 116.57 119.77 1f5o h LYS 40 Ca 0.21 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1f5o h LYS 40 Cb 0.23 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1f5o h LYS 40 CO -0.01 0.20 0.18 0.35 -2.27 0.00 0.00 179.45 177.89 1f5o h PHE 41 N -0.29 0.33 -0.14 1.91 3.57 -1.01 -2.35 116.94 118.96 1f5o h PHE 41 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1f5o h PHE 41 Cb 0.27 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1f5o h PHE 41 CO 0.01 0.17 0.06 0.35 -2.23 0.00 0.00 178.31 176.67 1f5o h PHE 42 N 0.37 0.20 -0.35 0.41 3.04 -0.98 -2.25 116.94 117.38 1f5o h PHE 42 Ca 0.15 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.99 1f5o h PHE 42 Cb 0.07 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 1f5o h PHE 42 CO -0.10 0.25 -0.20 1.79 -2.02 0.00 0.00 178.31 178.03 1f5o h THR 43 N 0.09 1.26 -0.06 4.41 1.35 -1.27 -3.10 112.91 115.59 1f5o h THR 43 Ca 0.05 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1f5o h THR 43 Cb 0.13 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1f5o h THR 43 CO -0.01 0.41 0.00 -1.54 -0.25 0.00 0.00 175.52 174.14 1f5o n SER 44 N -4.13 1.76 -3.24 5.36 3.41 -0.89 -4.44 113.62 111.44 1f5o n SER 44 Ca 0.00 -1.61 -0.24 0.00 -0.26 0.00 0.00 58.87 56.76 1f5o n SER 44 Cb 0.40 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 1f5o n SER 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1f5o n THR 45 N 0.37 0.51 -0.32 6.66 -1.04 -0.85 -4.98 114.28 114.63 1f5o n THR 45 Ca 0.18 -4.53 0.21 0.00 -2.04 0.00 0.00 64.05 57.87 1f5o n THR 45 Cb 0.38 -1.79 0.43 0.00 -1.82 0.00 0.00 70.33 67.53 1f5o n THR 45 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1f5o h PRO 46 N 3.89 0.23 -0.12 -2.82 0.11 -1.78 -1.26 132.00 130.26 1f5o h PRO 46 Ca 0.12 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.25 1f5o h PRO 46 Cb 0.80 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1f5o h PRO 46 CO 0.60 0.15 0.09 0.00 -0.21 0.00 0.00 178.00 178.63 1f5o h ALA 47 N 1.86 2.08 -0.01 -0.75 0.00 -1.93 -2.00 119.26 118.50 1f5o h ALA 47 Ca 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1f5o h ALA 47 Cb 1.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1f5o h ALA 47 CO -0.66 -0.15 -0.31 0.00 0.00 0.00 0.00 179.25 178.13 1f5o n ALA 48 N -2.55 3.18 -0.00 0.00 0.00 -0.47 -4.30 120.51 116.36 1f5o n ALA 48 Ca -0.00 -0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.07 1f5o n ALA 48 Cb 0.21 -1.15 0.32 0.00 0.00 0.00 0.00 19.45 18.83 1f5o n ALA 48 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1f5o h GLN 49 N 0.81 0.53 0.00 0.00 4.20 -1.41 -2.57 115.11 116.68 1f5o h GLN 49 Ca 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1f5o h GLN 49 Cb 0.49 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1f5o h GLN 49 CO 0.00 0.52 0.00 -0.85 -0.67 0.00 0.00 178.83 177.83 1f5o n GLU 50 N -4.32 0.06 -0.07 1.46 0.28 -1.26 -1.77 120.64 115.02 1f5o n GLU 50 Ca 0.02 0.50 0.11 0.00 -0.16 0.00 0.00 57.16 57.63 1f5o n GLU 50 Cb 0.21 -1.67 0.37 0.00 1.43 0.00 0.00 31.44 31.77 1f5o n GLU 50 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1f5o n PHE 51 N -1.80 0.20 -3.49 -1.84 3.01 -0.97 -4.33 117.46 108.25 1f5o n PHE 51 Ca 0.00 -0.10 -0.29 0.00 1.01 0.00 0.00 57.45 58.08 1f5o n PHE 51 Cb 0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.45 1f5o n PHE 51 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1f5o n PHE 52 N 0.51 3.51 -0.26 1.38 3.01 -0.73 -4.94 117.46 119.95 1f5o n PHE 52 Ca 0.17 -4.06 0.06 0.00 1.01 0.00 0.00 57.45 54.63 1f5o n PHE 52 Cb 0.39 -0.66 0.19 0.00 -0.01 0.00 0.00 39.48 39.39 1f5o n PHE 52 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1f5o h PRO 53 N 4.58 0.36 0.00 -1.08 0.11 -1.81 0.08 132.00 134.23 1f5o h PRO 53 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1f5o h PRO 53 Cb 0.68 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1f5o h PRO 53 CO 0.86 0.24 0.00 1.63 -0.21 0.00 0.00 178.00 180.52 1f5o n LYS 54 N -5.06 0.16 -0.16 1.05 5.02 -1.26 -1.70 118.16 116.20 1f5o n LYS 54 Ca 0.15 0.13 0.09 0.00 -2.02 0.00 0.00 58.31 56.66 1f5o n LYS 54 Cb 0.45 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 34.14 1f5o n LYS 54 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1f5o n PHE 55 N -1.17 0.42 -1.60 2.13 3.72 0.01 -4.92 117.46 116.05 1f5o n PHE 55 Ca 0.04 -0.27 -0.47 0.00 -0.05 0.00 0.00 57.45 56.70 1f5o n PHE 55 Cb 0.05 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 1f5o n PHE 55 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1f5o n LYS 56 N 1.14 1.41 0.00 -1.08 5.02 -0.69 -1.26 118.16 122.70 1f5o n LYS 56 Ca 0.16 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1f5o n LYS 56 Cb 0.51 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1f5o n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f5o n GLY 57 N 1.88 2.47 3.76 0.72 0.00 -1.26 -5.01 105.19 107.74 1f5o n GLY 57 Ca 0.13 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1f5o n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f5o s LEU 58 N 0.00 4.42 0.31 0.99 2.01 -0.39 -4.88 118.68 121.13 1f5o s LEU 58 Ca 0.00 2.61 0.00 0.00 0.01 0.00 0.00 54.13 56.75 1f5o s LEU 58 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 46.19 42.57 1f5o s LEU 58 CO 0.00 -0.57 0.00 0.35 1.01 0.00 0.00 176.35 177.14 1f5o n THR 59 N 1.63 0.00 -1.79 5.49 -2.24 -1.26 -5.04 114.28 111.08 1f5o n THR 59 Ca 0.03 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 1f5o n THR 59 Cb 0.42 -0.40 0.04 0.00 -2.10 0.00 0.00 70.33 68.29 1f5o n THR 59 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1f5o s THR 60 N -1.93 2.09 0.40 4.28 -4.23 -1.26 -4.86 115.64 110.12 1f5o s THR 60 Ca 0.00 0.06 0.35 0.00 -1.18 0.00 0.00 61.69 60.92 1f5o s THR 60 Cb 0.00 -3.03 0.38 0.00 1.34 0.00 0.00 72.50 71.19 1f5o s THR 60 CO 0.00 -0.00 2.15 0.00 -0.54 0.00 0.00 174.62 176.23 1f5o h ALA 61 N 1.36 1.10 -0.13 3.99 0.00 -1.99 -2.44 119.26 121.15 1f5o h ALA 61 Ca -0.51 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 1f5o h ALA 61 Cb 1.30 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1f5o h ALA 61 CO 0.57 0.05 -0.56 0.22 0.00 0.00 0.00 179.25 179.53 1f5o h ASP 62 N 0.00 0.72 -0.24 0.00 -0.00 -2.00 -2.52 116.42 112.38 1f5o h ASP 62 Ca -0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 57.03 56.40 1f5o h ASP 62 Cb 0.28 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.38 1f5o h ASP 62 CO 0.01 1.23 0.15 1.56 -0.00 0.00 0.00 179.24 182.18 1f5o h GLN 63 N 0.26 0.32 0.26 0.28 4.20 -1.81 -3.10 115.11 115.52 1f5o h GLN 63 Ca -0.03 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1f5o h GLN 63 Cb 1.19 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 1f5o h GLN 63 CO 0.12 0.23 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.09 1f5o h LEU 64 N 0.31 -0.97 -1.07 1.46 3.38 -1.52 -1.38 115.31 115.52 1f5o h LEU 64 Ca 0.09 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1f5o h LEU 64 Cb -0.01 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1f5o h LEU 64 CO -0.02 -0.47 0.23 0.11 0.09 0.00 0.00 178.44 178.38 1f5o h LYS 65 N -0.66 0.00 0.00 1.13 1.57 -1.38 -0.19 116.57 117.03 1f5o h LYS 65 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1f5o h LYS 65 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1f5o h LYS 65 CO -0.12 0.00 -2.03 1.63 -0.57 0.00 0.00 179.45 178.36 1f5o n LYS 66 N -2.14 0.66 -2.17 3.15 5.02 -0.58 -4.92 118.16 117.18 1f5o n LYS 66 Ca -0.01 -0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 55.72 1f5o n LYS 66 Cb 0.25 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1f5o n LYS 66 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1f5o s SER 67 N -4.77 6.83 0.38 4.39 0.15 -0.08 -4.91 113.70 115.69 1f5o s SER 67 Ca -0.08 2.40 0.19 0.00 0.70 0.00 0.00 55.95 59.16 1f5o s SER 67 Cb 0.12 -2.60 0.71 0.00 -1.71 0.00 0.00 66.02 62.54 1f5o s SER 67 CO 0.89 -0.61 1.75 0.00 1.20 0.00 0.00 173.24 176.46 1f5o h ALA 68 N 6.01 1.00 -0.38 5.45 0.00 -1.92 -2.64 119.26 126.78 1f5o h ALA 68 Ca -0.44 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 1f5o h ALA 68 Cb 1.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1f5o h ALA 68 CO 0.82 0.44 0.01 -0.44 0.00 0.00 0.00 179.25 180.08 1f5o h ASP 69 N 0.00 0.66 -0.37 0.00 3.45 -1.93 -1.73 116.42 116.51 1f5o h ASP 69 Ca -0.00 -0.30 -0.04 0.00 0.43 0.00 0.00 57.03 57.11 1f5o h ASP 69 Cb 0.87 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 1f5o h ASP 69 CO 0.05 0.80 0.07 0.58 -1.57 0.00 0.00 179.24 179.17 1f5o h VAL 70 N 0.50 1.23 -0.89 -1.35 2.07 -1.81 -2.27 116.25 113.73 1f5o h VAL 70 Ca 0.11 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1f5o h VAL 70 Cb 0.46 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1f5o h VAL 70 CO 0.02 0.27 0.48 0.03 0.02 0.00 0.00 177.57 178.40 1f5o h ARG 71 N 0.45 1.25 -0.30 1.57 3.08 -1.38 -1.05 114.38 118.00 1f5o h ARG 71 Ca 0.11 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1f5o h ARG 71 Cb 0.33 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1f5o h ARG 71 CO 0.00 0.92 -0.08 2.35 -1.07 0.00 0.00 179.97 182.09 1f5o h TRP 72 N 1.25 0.65 -0.77 3.04 -0.00 -1.24 -0.22 115.95 118.66 1f5o h TRP 72 Ca 0.31 -0.14 -0.04 0.00 -0.00 0.00 0.00 58.89 59.02 1f5o h TRP 72 Cb 0.04 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 29.00 1f5o h TRP 72 CO 0.01 0.77 0.31 1.25 -0.00 0.00 0.00 178.44 180.78 1f5o h HIS 73 N 0.34 1.17 -0.40 2.65 2.76 -1.24 -1.72 115.15 118.72 1f5o h HIS 73 Ca 0.07 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 58.04 1f5o h HIS 73 Cb 0.56 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1f5o h HIS 73 CO 0.05 0.89 -0.21 0.00 -1.30 0.00 0.00 177.93 177.36 1f5o h ALA 74 N 1.16 0.57 -0.47 5.26 0.00 -1.07 -2.03 119.26 122.68 1f5o h ALA 74 Ca 0.26 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1f5o h ALA 74 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1f5o h ALA 74 CO -0.02 0.54 0.10 0.93 0.00 0.00 0.00 179.25 180.79 1f5o h GLU 75 N 0.66 0.71 -0.14 0.00 5.08 -0.78 -0.67 114.58 119.45 1f5o h GLU 75 Ca 0.09 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1f5o h GLU 75 Cb 0.77 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1f5o h GLU 75 CO 0.06 0.66 -0.17 0.00 -1.00 0.00 0.00 179.01 178.56 1f5o h ARG 76 N 0.69 0.36 0.17 2.33 3.08 -1.22 -2.24 114.38 117.55 1f5o h ARG 76 Ca 0.15 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1f5o h ARG 76 Cb 0.28 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1f5o h ARG 76 CO 0.00 0.77 -0.08 0.82 -1.07 0.00 0.00 179.97 180.41 1f5o h ILE 77 N -0.03 0.85 -0.10 2.04 2.04 -1.22 -1.89 117.51 119.21 1f5o h ILE 77 Ca 0.02 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1f5o h ILE 77 Cb 0.72 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1f5o h ILE 77 CO 0.04 0.02 0.05 -0.29 0.00 0.00 0.00 178.15 177.97 1f5o h ILE 78 N -0.27 1.04 0.00 -0.67 -0.00 -1.18 -1.41 117.51 115.01 1f5o h ILE 78 Ca -0.02 -0.10 -0.05 0.00 -0.00 0.00 0.00 64.86 64.69 1f5o h ILE 78 Cb 0.21 0.91 -0.01 0.00 -0.00 0.00 0.00 36.82 37.93 1f5o h ILE 78 CO 0.04 0.04 -0.23 0.78 -0.00 0.00 0.00 178.15 178.78 1f5o h ASN 79 N 0.14 0.00 -0.25 2.19 2.35 -1.11 -2.60 115.58 116.30 1f5o h ASN 79 Ca 0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1f5o h ASN 79 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1f5o h ASN 79 CO -0.01 0.23 -0.18 0.00 -1.65 0.00 0.00 177.43 175.82 1f5o h ALA 80 N 1.77 0.35 -0.68 -0.83 0.00 -0.45 -0.52 119.26 118.91 1f5o h ALA 80 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1f5o h ALA 80 Cb 1.16 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1f5o h ALA 80 CO 0.03 0.27 0.39 0.28 0.00 0.00 0.00 179.25 180.22 1f5o h VAL 81 N 0.27 1.20 -0.98 0.00 2.07 -1.44 -1.93 116.25 115.45 1f5o h VAL 81 Ca 0.05 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1f5o h VAL 81 Cb 0.71 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1f5o h VAL 81 CO 0.05 0.22 0.64 -1.13 0.02 0.00 0.00 177.57 177.37 1f5o h ASN 82 N 0.92 1.08 -0.86 0.57 -1.24 -1.20 0.44 115.58 115.30 1f5o h ASN 82 Ca 0.24 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 1f5o h ASN 82 Cb 0.01 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.76 1f5o h ASN 82 CO -0.04 0.75 0.53 0.44 -1.29 0.00 0.00 177.43 177.82 1f5o h ASP 83 N 1.26 1.03 -0.15 1.15 3.45 -0.37 0.86 116.42 123.66 1f5o h ASP 83 Ca 0.38 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.77 1f5o h ASP 83 Cb -0.05 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.46 1f5o h ASP 83 CO -0.11 0.79 0.07 0.00 -1.57 0.00 0.00 179.24 178.42 1f5o h ALA 84 N 1.29 0.19 -0.96 3.45 0.00 -0.53 -2.13 119.26 120.56 1f5o h ALA 84 Ca 0.31 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1f5o h ALA 84 Cb -0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1f5o h ALA 84 CO -0.06 -0.24 0.63 0.28 0.00 0.00 0.00 179.25 179.86 1f5o h VAL 85 N 0.11 1.10 0.00 0.00 2.07 -0.36 0.40 116.25 119.56 1f5o h VAL 85 Ca 0.05 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1f5o h VAL 85 Cb 0.13 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1f5o h VAL 85 CO -0.01 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1f5o n ALA 86 N -2.38 1.86 -0.16 1.67 0.00 0.24 -3.27 120.51 118.47 1f5o n ALA 86 Ca 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.57 1f5o n ALA 86 Cb 0.17 -1.32 0.11 0.00 0.00 0.00 0.00 19.45 18.42 1f5o n ALA 86 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1f5o n SER 87 N -1.58 2.70 0.25 0.00 7.64 0.10 -4.68 113.62 118.04 1f5o n SER 87 Ca 0.04 -2.04 0.17 0.00 1.01 0.00 0.00 58.87 58.06 1f5o n SER 87 Cb 0.23 -0.18 0.77 0.00 -1.01 0.00 0.00 64.21 64.02 1f5o n SER 87 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1f5o h MET 88 N 1.46 0.00 -0.00 1.43 2.86 -1.47 0.32 114.93 119.53 1f5o h MET 88 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1f5o h MET 88 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1f5o h MET 88 CO 0.01 0.00 -0.40 -0.25 1.06 0.00 0.00 176.91 177.33 1f5o n ASP 89 N -3.17 0.78 -3.37 1.22 10.43 -1.26 -4.30 116.55 116.87 1f5o n ASP 89 Ca 0.01 -0.59 -0.26 0.00 2.57 0.00 0.00 54.79 56.53 1f5o n ASP 89 Cb 0.49 0.22 -0.09 0.00 1.84 0.00 0.00 41.12 43.58 1f5o n ASP 89 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1f5o n ASP 90 N -1.08 1.08 0.34 -2.24 4.64 0.11 -4.95 116.55 114.45 1f5o n ASP 90 Ca 0.09 -2.83 0.21 0.00 -1.38 0.00 0.00 54.79 50.88 1f5o n ASP 90 Cb 0.34 -0.64 1.11 0.00 -1.04 0.00 0.00 41.12 40.90 1f5o n ASP 90 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1f5o h THR 91 N 3.19 0.02 -0.07 5.18 1.03 -1.74 -1.44 112.91 119.08 1f5o h THR 91 Ca 0.16 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.36 1f5o h THR 91 Cb 0.83 0.91 0.01 0.00 -1.07 0.00 0.00 68.15 68.83 1f5o h THR 91 CO 0.55 0.00 -0.71 -0.08 -0.01 0.00 0.00 175.52 175.27 1f5o h GLU 92 N 0.00 0.60 -0.48 0.00 4.81 -1.92 -2.44 114.58 115.14 1f5o h GLU 92 Ca 0.00 -0.55 -0.13 0.00 -0.13 0.00 0.00 59.36 58.55 1f5o h GLU 92 Cb 0.18 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1f5o h GLU 92 CO -0.00 1.17 -0.21 -0.22 -0.73 0.00 0.00 179.01 179.02 1f5o h LYS 93 N 0.22 1.00 -0.98 1.92 3.64 -1.64 -2.67 116.57 118.06 1f5o h LYS 93 Ca -0.07 -0.43 0.06 0.00 -1.27 0.00 0.00 60.65 58.94 1f5o h LYS 93 Cb 1.37 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.09 1f5o h LYS 93 CO 0.14 1.10 0.64 1.98 -2.27 0.00 0.00 179.45 181.05 1f5o h MET 94 N 0.85 1.14 0.13 1.90 4.05 -1.38 -2.71 114.93 118.91 1f5o h MET 94 Ca 0.11 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1f5o h MET 94 Cb 0.80 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1f5o h MET 94 CO 0.07 0.76 -0.06 0.77 0.23 0.00 0.00 176.91 178.67 1f5o h SER 95 N 1.18 -0.15 -0.38 1.39 0.02 -1.26 -2.69 113.55 111.66 1f5o h SER 95 Ca 0.41 -0.29 0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1f5o h SER 95 Cb 0.12 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.62 1f5o h SER 95 CO -0.15 0.23 -0.20 0.24 -1.14 0.00 0.00 176.83 175.80 1f5o h MET 96 N -0.54 -0.13 -0.57 3.45 2.07 -1.32 0.18 114.93 118.06 1f5o h MET 96 Ca -0.02 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1f5o h MET 96 Cb 0.43 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.16 1f5o h MET 96 CO 0.03 -0.09 0.37 -0.22 1.07 0.00 0.00 176.91 178.07 1f5o h LYS 97 N -0.13 0.76 -0.29 1.72 3.64 -1.56 -2.05 116.57 118.66 1f5o h LYS 97 Ca 0.19 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.35 1f5o h LYS 97 Cb 0.43 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1f5o h LYS 97 CO -0.47 0.52 -0.45 -0.07 -2.27 0.00 0.00 179.45 176.71 1f5o h LEU 98 N 0.77 0.90 -1.06 5.20 3.38 -1.05 -2.36 115.31 121.08 1f5o h LEU 98 Ca 0.21 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1f5o h LEU 98 Cb -0.07 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 1f5o h LEU 98 CO -0.04 1.24 0.62 0.03 0.09 0.00 0.00 178.44 180.38 1f5o h ARG 99 N 0.58 1.25 -0.35 1.13 3.08 -0.56 0.48 114.38 119.99 1f5o h ARG 99 Ca 0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1f5o h ARG 99 Cb 1.05 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1f5o h ARG 99 CO 0.10 0.83 0.22 0.22 -1.07 0.00 0.00 179.97 180.28 1f5o h ASP 100 N 1.29 0.42 -0.12 7.04 3.58 -1.30 -1.45 116.42 125.88 1f5o h ASP 100 Ca 0.35 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.71 1f5o h ASP 100 Cb -0.14 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 1f5o h ASP 100 CO -0.07 0.33 -0.05 0.25 -2.88 0.00 0.00 179.24 176.81 1f5o h LEU 101 N 0.47 0.37 -0.20 2.28 5.85 -0.61 -2.34 115.31 121.12 1f5o h LEU 101 Ca 0.13 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1f5o h LEU 101 Cb -0.02 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1f5o h LEU 101 CO -0.03 0.47 0.10 -1.28 -0.34 0.00 0.00 178.44 177.37 1f5o h SER 102 N 0.37 0.26 -0.86 1.25 0.87 0.74 -2.38 113.55 113.81 1f5o h SER 102 Ca 0.08 -0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1f5o h SER 102 Cb 0.33 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.16 1f5o h SER 102 CO 0.01 0.30 0.53 1.23 -0.53 0.00 0.00 176.83 178.37 1f5o h GLY 103 N 0.21 1.32 1.02 5.77 0.00 -0.77 -1.67 103.07 108.95 1f5o h GLY 103 Ca 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1f5o h GLY 103 CO -0.01 0.22 0.32 0.50 0.00 0.00 0.00 176.54 177.57 1f5o h LYS 104 N 0.93 1.07 -0.51 4.80 1.57 -1.17 0.15 116.57 123.41 1f5o h LYS 104 Ca 0.39 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1f5o h LYS 104 Cb 0.25 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1f5o h LYS 104 CO -0.20 0.86 -0.03 0.45 -0.57 0.00 0.00 179.45 179.96 1f5o h HIS 105 N 1.04 0.95 0.21 -1.35 3.86 -0.89 -0.91 115.15 118.05 1f5o h HIS 105 Ca 0.25 -0.15 -0.30 0.00 -1.16 0.00 0.00 60.37 59.01 1f5o h HIS 105 Cb 0.17 -0.25 0.03 0.00 1.06 0.00 0.00 27.41 28.41 1f5o h HIS 105 CO 0.01 0.87 -1.36 0.00 0.86 0.00 0.00 177.93 178.32 1f5o h ALA 106 N 1.16 -0.08 0.00 2.45 0.00 -1.05 0.80 119.26 122.54 1f5o h ALA 106 Ca 0.15 -0.88 -0.19 0.00 0.00 0.00 0.00 54.91 53.99 1f5o h ALA 106 Cb 0.52 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1f5o h ALA 106 CO 0.03 0.67 -1.36 0.87 0.00 0.00 0.00 179.25 179.46 1f5o h LYS 107 N -0.02 0.00 0.00 0.00 1.57 -0.77 -3.37 116.57 113.98 1f5o h LYS 107 Ca -0.25 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 1f5o h LYS 107 Cb 2.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.31 1f5o h LYS 107 CO 0.22 0.38 -0.61 0.43 -0.57 0.00 0.00 179.45 179.30 1f5o n SER 108 N -2.98 1.19 0.21 0.86 7.64 -0.43 -4.73 113.62 115.40 1f5o n SER 108 Ca -0.09 0.18 0.08 0.00 1.01 0.00 0.00 58.87 60.05 1f5o n SER 108 Cb 0.88 -0.42 0.45 0.00 -1.01 0.00 0.00 64.21 64.11 1f5o n SER 108 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1f5o h PHE 109 N -0.32 0.00 -6.12 1.43 0.05 -1.43 -3.48 116.94 107.08 1f5o h PHE 109 Ca -0.06 0.00 -0.42 0.00 3.82 0.00 0.00 57.97 61.32 1f5o h PHE 109 Cb 0.54 0.00 0.07 0.00 2.00 0.00 0.00 35.95 38.56 1f5o h PHE 109 CO -0.11 0.27 -0.88 1.04 -0.18 0.00 0.00 178.31 178.45 1f5o n GLN 110 N -3.51 -3.05 -3.79 1.51 6.02 0.22 -4.97 117.38 109.81 1f5o n GLN 110 Ca -0.00 0.56 -0.35 0.00 -0.01 0.00 0.00 57.00 57.20 1f5o n GLN 110 Cb 0.43 -4.78 -0.05 0.00 1.02 0.00 0.00 30.24 26.85 1f5o n GLN 110 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1f5o s VAL 111 N -3.61 5.34 0.05 5.09 -7.23 -0.87 -5.03 120.40 114.14 1f5o s VAL 111 Ca 0.22 0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 60.24 1f5o s VAL 111 Cb -0.07 -3.54 -0.08 0.00 0.56 0.00 0.00 36.38 33.24 1f5o s VAL 111 CO 0.83 0.40 1.81 -0.62 -0.31 0.00 0.00 175.10 177.22 1f5o s ASP 112 N -1.62 6.52 0.32 4.85 -1.08 -1.26 -4.79 116.67 119.60 1f5o s ASP 112 Ca 0.26 2.57 0.23 0.00 -0.52 0.00 0.00 52.55 55.09 1f5o s ASP 112 Cb -0.13 -2.55 1.16 0.00 -1.46 0.00 0.00 42.92 39.94 1f5o s ASP 112 CO 0.15 -0.98 1.69 -0.81 0.52 0.00 0.00 175.17 175.73 1f5o n PRO 113 N 6.61 0.16 0.23 4.34 -0.04 -1.26 -3.25 135.00 141.79 1f5o n PRO 113 Ca 0.18 0.59 0.09 0.00 -0.04 0.00 0.00 63.50 64.33 1f5o n PRO 113 Cb 0.41 -1.95 0.53 0.00 -0.04 0.00 0.00 33.50 32.44 1f5o n PRO 113 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1f5o h GLN 114 N 0.00 0.00 0.00 0.54 3.07 -2.02 -3.19 115.11 113.50 1f5o h GLN 114 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1f5o h GLN 114 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1f5o h GLN 114 CO 0.00 0.23 0.00 1.88 0.09 0.00 0.00 178.83 181.03 1f5o h TYR 115 N 0.00 0.00 -0.59 0.06 -1.99 -1.96 -3.34 116.97 109.15 1f5o h TYR 115 Ca -0.00 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.85 1f5o h TYR 115 Cb 0.61 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.23 1f5o h TYR 115 CO 0.00 0.00 -0.12 0.74 -0.00 0.00 0.00 178.16 178.78 1f5o h PHE 116 N 0.00 -0.26 -0.03 4.88 0.05 -1.79 -0.31 116.94 119.47 1f5o h PHE 116 Ca 0.00 0.05 -0.11 0.00 3.82 0.00 0.00 57.97 61.73 1f5o h PHE 116 Cb 0.72 0.21 -0.01 0.00 2.00 0.00 0.00 35.95 38.86 1f5o h PHE 116 CO 0.00 -0.23 -0.50 1.57 -0.18 0.00 0.00 178.31 178.96 1f5o h LYS 117 N 0.02 0.08 -0.33 1.51 2.10 -1.83 -0.66 116.57 117.46 1f5o h LYS 117 Ca 0.29 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.88 1f5o h LYS 117 Cb 0.44 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 1f5o h LYS 117 CO -0.58 0.57 0.15 0.28 -2.00 0.00 0.00 179.45 177.86 1f5o h VAL 118 N 0.06 1.17 -0.18 0.07 2.07 -1.28 -1.13 116.25 117.03 1f5o h VAL 118 Ca -0.00 -0.49 -0.16 0.00 0.82 0.00 0.00 66.70 66.87 1f5o h VAL 118 Cb 0.91 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1f5o h VAL 118 CO 0.07 0.18 -0.54 0.25 0.02 0.00 0.00 177.57 177.55 1f5o h LEU 119 N 0.40 0.59 -1.41 2.57 5.85 -1.16 -2.89 115.31 119.26 1f5o h LEU 119 Ca 0.11 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1f5o h LEU 119 Cb 0.14 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1f5o h LEU 119 CO -0.01 1.02 0.42 0.00 -0.34 0.00 0.00 178.44 179.53 1f5o h ALA 120 N 1.00 1.63 -0.50 1.25 0.00 -0.81 -1.90 119.26 119.91 1f5o h ALA 120 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1f5o h ALA 120 Cb 1.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1f5o h ALA 120 CO 0.10 0.31 0.18 0.00 0.00 0.00 0.00 179.25 179.84 1f5o h ALA 121 N 1.62 0.65 -0.78 0.00 0.00 -1.00 -0.30 119.26 119.45 1f5o h ALA 121 Ca 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1f5o h ALA 121 Cb 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1f5o h ALA 121 CO -0.07 0.29 0.38 0.28 0.00 0.00 0.00 179.25 180.13 1f5o h VAL 122 N 0.67 1.25 -0.43 0.00 2.07 -1.30 0.40 116.25 118.91 1f5o h VAL 122 Ca 0.16 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1f5o h VAL 122 Cb 0.24 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1f5o h VAL 122 CO -0.01 0.29 -0.00 0.40 0.02 0.00 0.00 177.57 178.27 1f5o h ILE 123 N 1.10 1.23 -0.32 4.57 2.04 -1.04 -2.24 117.51 122.84 1f5o h ILE 123 Ca 0.27 -0.94 -0.11 0.00 1.00 0.00 0.00 64.86 65.07 1f5o h ILE 123 Cb 0.11 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1f5o h ILE 123 CO -0.03 0.33 -0.24 0.00 0.00 0.00 0.00 178.15 178.21 1f5o h ALA 124 N 1.33 0.47 0.05 1.87 0.00 -0.10 -1.68 119.26 121.21 1f5o h ALA 124 Ca 0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1f5o h ALA 124 Cb 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1f5o h ALA 124 CO 0.02 0.45 -0.03 -0.44 0.00 0.00 0.00 179.25 179.24 1f5o h ASP 125 N 0.50 -0.08 -0.36 0.00 3.45 -0.80 -0.92 116.42 118.21 1f5o h ASP 125 Ca 0.06 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1f5o h ASP 125 Cb 0.80 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.57 1f5o h ASP 125 CO 0.06 -0.05 0.24 0.74 -1.57 0.00 0.00 179.24 178.66 1f5o h THR 126 N -0.08 1.09 0.09 0.35 2.02 -1.40 -2.87 112.91 112.11 1f5o h THR 126 Ca -0.00 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1f5o h THR 126 Cb 0.07 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1f5o h THR 126 CO 0.00 0.09 -0.05 0.58 0.37 0.00 0.00 175.52 176.52 1f5o h VAL 127 N 0.49 0.90 -0.85 3.16 2.07 -1.24 -3.44 116.25 117.33 1f5o h VAL 127 Ca 0.13 -1.38 -0.33 0.00 0.82 0.00 0.00 66.70 65.94 1f5o h VAL 127 Cb -0.05 1.59 -0.23 0.00 -1.52 0.00 0.00 31.29 31.08 1f5o h VAL 127 CO -0.03 0.27 -0.70 0.00 0.02 0.00 0.00 177.57 177.13 1f5o n ALA 128 N -2.62 -0.11 -1.62 1.67 0.00 -0.39 -4.82 120.51 112.63 1f5o n ALA 128 Ca -0.07 -2.03 -0.50 0.00 0.00 0.00 0.00 53.44 50.85 1f5o n ALA 128 Cb 0.26 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 1f5o n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f5o n ALA 129 N 1.83 -0.12 0.00 0.00 0.00 -0.98 -1.60 120.51 119.65 1f5o n ALA 129 Ca 0.15 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1f5o n ALA 129 Cb 0.58 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1f5o n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f5o n GLY 130 N 2.91 2.74 3.67 0.00 0.00 -1.26 -5.01 105.19 108.24 1f5o n GLY 130 Ca 0.18 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1f5o n GLY 130 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f5o s ASP 131 N 0.50 6.54 0.17 1.61 2.15 -0.63 -4.86 116.67 122.15 1f5o s ASP 131 Ca 0.00 2.54 -0.06 0.00 0.43 0.00 0.00 52.55 55.45 1f5o s ASP 131 Cb 0.00 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 40.13 1f5o s ASP 131 CO 0.00 -0.97 1.50 0.00 -0.17 0.00 0.00 175.17 175.52 1f5o h ALA 132 N 9.44 0.65 -0.35 3.66 0.00 -1.95 -2.72 119.26 127.99 1f5o h ALA 132 Ca -0.45 -0.48 0.06 0.00 0.00 0.00 0.00 54.91 54.04 1f5o h ALA 132 Cb 1.21 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1f5o h ALA 132 CO 0.94 0.67 0.05 0.78 0.00 0.00 0.00 179.25 181.69 1f5o h GLY 133 N 0.91 0.39 1.40 0.00 0.00 -1.93 0.81 103.07 104.64 1f5o h GLY 133 Ca 0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1f5o h GLY 133 CO 0.10 -0.04 0.02 -2.75 0.00 0.00 0.00 176.54 173.87 1f5o h PHE 134 N 0.16 0.77 -0.02 5.60 3.57 -1.88 -1.60 116.94 123.54 1f5o h PHE 134 Ca 0.17 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1f5o h PHE 134 Cb 0.21 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1f5o h PHE 134 CO -0.21 0.71 -0.24 0.93 -2.23 0.00 0.00 178.31 177.28 1f5o h GLU 135 N 0.70 0.03 -0.36 1.11 5.08 -0.96 -1.22 114.58 118.96 1f5o h GLU 135 Ca 0.14 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 1f5o h GLU 135 Cb 0.39 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1f5o h GLU 135 CO 0.01 0.27 -0.36 -0.22 -1.00 0.00 0.00 179.01 177.71 1f5o h LYS 136 N 0.03 0.87 -0.43 2.33 3.64 0.06 -1.58 116.57 121.49 1f5o h LYS 136 Ca 0.00 -0.46 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 1f5o h LYS 136 Cb 0.44 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1f5o h LYS 136 CO 0.03 1.11 -0.06 1.25 -2.27 0.00 0.00 179.45 179.51 1f5o h LEU 137 N 0.67 0.71 -0.90 5.20 7.12 -0.69 -2.13 115.31 125.29 1f5o h LEU 137 Ca 0.06 -0.19 -0.12 0.00 0.13 0.00 0.00 57.88 57.76 1f5o h LEU 137 Cb 0.95 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.88 1f5o h LEU 137 CO 0.09 0.82 -0.51 0.24 -0.13 0.00 0.00 178.44 178.95 1f5o h MET 138 N 0.67 0.10 -0.43 1.25 2.86 -1.09 -2.79 114.93 115.51 1f5o h MET 138 Ca 0.12 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1f5o h MET 138 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1f5o h MET 138 CO 0.03 0.59 -0.07 0.77 1.06 0.00 0.00 176.91 179.29 1f5o h SER 139 N 0.08 0.80 -0.55 1.22 0.02 -0.76 -0.84 113.55 113.53 1f5o h SER 139 Ca 0.00 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1f5o h SER 139 Cb 0.93 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1f5o h SER 139 CO 0.07 0.96 0.33 0.24 -1.14 0.00 0.00 176.83 177.29 1f5o h MET 140 N 0.64 0.64 -0.58 3.45 2.07 -1.29 0.41 114.93 120.26 1f5o h MET 140 Ca 0.11 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.68 1f5o h MET 140 Cb 0.59 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.15 1f5o h MET 140 CO 0.04 0.42 0.25 0.82 1.07 0.00 0.00 176.91 179.51 1f5o h ILE 141 N 0.66 1.22 -0.39 -1.22 2.04 -1.28 -1.39 117.51 117.16 1f5o h ILE 141 Ca 0.22 -0.67 -0.15 0.00 1.00 0.00 0.00 64.86 65.26 1f5o h ILE 141 Cb 0.02 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1f5o h ILE 141 CO -0.09 0.26 -0.35 0.00 0.00 0.00 0.00 178.15 177.97 1f5o h ILE 143 N 0.73 1.20 -0.17 0.00 2.04 -0.78 -2.37 117.51 118.17 1f5o h ILE 143 Ca 0.07 -0.48 -0.15 0.00 1.00 0.00 0.00 64.86 65.29 1f5o h ILE 143 Cb 0.94 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1f5o h ILE 143 CO 0.09 0.22 -0.54 -0.07 0.00 0.00 0.00 178.15 177.85 1f5o h LEU 144 N 0.93 0.54 -1.67 1.44 3.38 -1.15 -2.90 115.31 115.88 1f5o h LEU 144 Ca 0.24 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1f5o h LEU 144 Cb 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1f5o h LEU 144 CO -0.04 0.98 0.00 -0.07 0.09 0.00 0.00 178.44 179.39 1f5o h LEU 145 N 0.38 0.00 -1.75 1.67 3.38 -0.65 -1.91 115.31 116.43 1f5o h LEU 145 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1f5o h LEU 145 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1f5o h LEU 145 CO 0.10 0.00 -0.03 0.54 0.09 0.00 0.00 178.44 179.13 1f5o n ARG 146 N -2.77 1.89 0.29 1.13 1.74 -0.93 -4.52 116.66 113.50 1f5o n ARG 146 Ca -0.00 -1.69 0.16 0.00 -0.77 0.00 0.00 57.85 55.55 1f5o n ARG 146 Cb 0.19 -1.40 0.89 0.00 -1.02 0.00 0.00 32.46 31.11 1f5o n ARG 146 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1f5o h SER 147 N 3.99 0.00 0.96 0.55 4.64 -1.19 -2.42 113.55 120.08 1f5o h SER 147 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f5o h SER 147 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1f5o h SER 147 CO 0.00 0.05 -0.68 0.00 -0.87 0.00 0.00 176.83 175.33 1f5o h ALA 148 N 1.95 0.58 0.00 5.18 0.00 -1.79 -3.50 119.26 121.68 1f5o h ALA 148 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f5o h ALA 148 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1f5o h ALA 148 CO 0.01 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.92