#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 4.78 0.15 0.52 1.01 -1.26 -4.94 121.20 121.46 1f5o s ILE 2 Ca 0.00 2.01 0.09 0.00 0.00 0.00 0.00 60.65 62.75 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 0.10 -0.13 0.68 0.00 0.00 0.00 174.94 175.59 1f5o s VAL 3 N 1.40 3.07 -0.12 2.92 -7.23 -1.26 -5.02 120.40 114.15 1f5o s VAL 3 Ca 0.51 -1.56 0.15 0.00 -1.81 0.00 0.00 61.98 59.27 1f5o s VAL 3 Cb -0.21 -2.47 0.30 0.00 0.56 0.00 0.00 36.38 34.56 1f5o s VAL 3 CO 0.24 -0.00 1.15 -0.90 -0.31 0.00 0.00 175.10 175.28 1f5o n ASP 4 N 0.41 1.73 -4.08 4.85 5.75 -1.26 -4.39 116.55 119.56 1f5o n ASP 4 Ca -0.13 -3.08 -0.09 0.00 -0.01 0.00 0.00 54.79 51.48 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 -2.35 0.12 0.00 2.12 2.01 -1.26 -4.36 115.64 111.92 1f5o s THR 5 Ca 0.29 -1.72 0.00 0.00 0.31 0.00 0.00 61.69 60.57 1f5o s THR 5 Cb 0.27 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.93 1f5o s THR 5 CO -0.02 -0.54 0.00 0.61 -0.69 0.00 0.00 174.62 173.98 1f5o n GLY 6 N -0.08 1.90 3.15 4.40 0.00 -1.26 -4.87 105.19 108.43 1f5o n GLY 6 Ca -0.08 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 0.19 0.04 1.61 0.15 -1.26 -5.04 113.70 105.38 1f5o s SER 7 Ca 0.00 -0.62 0.05 0.00 0.70 0.00 0.00 55.95 56.07 1f5o s SER 7 Cb 0.00 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1f5o s SER 7 CO 0.00 -0.61 -0.13 0.68 1.20 0.00 0.00 173.24 174.38 1f5o s VAL 8 N -3.24 1.05 0.67 4.45 -7.23 -1.26 -5.13 120.40 109.70 1f5o s VAL 8 Ca 0.00 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.99 1f5o s VAL 8 Cb 0.02 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 36.00 1f5o s VAL 8 CO -0.08 -0.04 1.26 0.00 -0.31 0.00 0.00 175.10 175.94 1f5o s ALA 9 N -0.90 2.30 1.02 1.32 0.00 -1.26 -4.96 121.76 119.27 1f5o s ALA 9 Ca 0.00 1.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 1f5o s ALA 9 Cb -0.08 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.63 1f5o s ALA 9 CO 0.01 -1.66 0.51 -2.30 0.00 0.00 0.00 175.76 172.33 1f5o n PRO 10 N -2.14 -0.93 -3.15 0.00 -0.02 -1.26 -4.96 135.00 122.53 1f5o n PRO 10 Ca 0.15 -0.23 -0.39 0.00 -2.02 0.00 0.00 63.50 61.01 1f5o n PRO 10 Cb 0.49 -1.95 -0.05 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.90 4.39 0.53 2.45 1.43 -1.26 -5.06 118.68 118.26 1f5o s LEU 11 Ca 0.60 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.76 1f5o s LEU 11 Cb -0.20 -2.98 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 1f5o s LEU 11 CO 0.65 0.04 0.93 -0.94 0.23 0.00 0.00 176.35 177.25 1f5o s SER 12 N 0.11 6.39 0.43 2.29 1.04 -1.26 -4.89 113.70 117.81 1f5o s SER 12 Ca 0.33 1.31 0.14 0.00 0.48 0.00 0.00 55.95 58.21 1f5o s SER 12 Cb -0.18 -2.41 1.02 0.00 0.10 0.00 0.00 66.02 64.55 1f5o s SER 12 CO 0.18 -0.66 1.97 0.00 0.98 0.00 0.00 173.24 175.71 1f5o h ALA 13 N 0.38 2.02 -0.18 5.32 0.00 -1.99 -0.84 119.26 123.95 1f5o h ALA 13 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1f5o h ALA 13 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1f5o h ALA 13 CO 0.62 -0.16 0.03 0.00 0.00 0.00 0.00 179.25 179.75 1f5o h ALA 14 N 1.69 0.24 -0.69 0.00 0.00 -2.00 -2.46 119.26 116.04 1f5o h ALA 14 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1f5o h ALA 14 Cb 0.56 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1f5o h ALA 14 CO -0.08 -0.10 0.16 0.93 0.00 0.00 0.00 179.25 180.17 1f5o h GLU 15 N 0.10 1.12 -0.96 0.00 5.08 -1.60 -2.58 114.58 115.74 1f5o h GLU 15 Ca 0.06 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1f5o h GLU 15 Cb 0.30 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1f5o h GLU 15 CO 0.00 0.99 0.60 0.87 -1.00 0.00 0.00 179.01 180.47 1f5o h LYS 16 N 1.05 1.28 -0.38 2.33 1.57 -1.15 -1.10 116.57 120.17 1f5o h LYS 16 Ca 0.22 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1f5o h LYS 16 Cb 0.38 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1f5o h LYS 16 CO 0.00 0.88 0.17 1.15 -0.57 0.00 0.00 179.45 181.09 1f5o h THR 17 N 1.31 1.18 -0.39 -0.16 2.02 -1.12 -0.49 112.91 115.26 1f5o h THR 17 Ca 0.35 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1f5o h THR 17 Cb -0.09 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1f5o h THR 17 CO -0.07 0.19 0.16 0.11 0.37 0.00 0.00 175.52 176.28 1f5o h LYS 18 N 0.48 0.59 -0.02 6.66 1.57 -1.19 -2.29 116.57 122.36 1f5o h LYS 18 Ca 0.13 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1f5o h LYS 18 Cb 0.14 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1f5o h LYS 18 CO -0.01 0.56 -0.15 0.82 -0.57 0.00 0.00 179.45 180.09 1f5o h ILE 19 N 0.49 0.62 -0.98 1.86 2.04 -0.99 0.46 117.51 121.01 1f5o h ILE 19 Ca 0.13 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.11 1f5o h ILE 19 Cb 0.19 0.62 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 1f5o h ILE 19 CO -0.01 0.00 0.62 0.03 0.00 0.00 0.00 178.15 178.79 1f5o h ARG 20 N -0.24 0.91 0.27 2.37 3.08 -0.99 0.90 114.38 120.68 1f5o h ARG 20 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1f5o h ARG 20 Cb 0.32 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1f5o h ARG 20 CO -0.16 0.60 -0.13 0.77 -1.07 0.00 0.00 179.97 179.98 1f5o h SER 21 N 0.94 -0.31 -0.07 7.04 0.02 -0.72 -1.31 113.55 119.13 1f5o h SER 21 Ca 0.48 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1f5o h SER 21 Cb 0.52 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1f5o h SER 21 CO -0.25 0.05 0.02 0.00 -1.14 0.00 0.00 176.83 175.51 1f5o h ALA 22 N -0.08 1.80 0.02 3.77 0.00 -0.62 -3.16 119.26 120.98 1f5o h ALA 22 Ca -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1f5o h ALA 22 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1f5o h ALA 22 CO 0.06 0.16 -0.01 2.35 0.00 0.00 0.00 179.25 181.81 1f5o h TRP 23 N 0.18 -0.02 -0.70 0.00 2.91 -0.74 -3.35 115.95 114.22 1f5o h TRP 23 Ca 0.04 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.14 1f5o h TRP 23 Cb 0.09 0.01 -0.09 0.00 -0.51 0.00 0.00 29.16 28.66 1f5o h TRP 23 CO 0.00 0.66 -0.38 0.00 -1.03 0.00 0.00 178.44 177.70 1f5o n ALA 24 N -2.48 -0.35 0.00 2.65 0.00 -0.50 -0.90 120.51 118.93 1f5o n ALA 24 Ca -0.09 0.62 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 1f5o n ALA 24 Cb 0.34 -0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 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 0.01 -0.07 0.00 0.11 -1.73 -0.10 132.00 130.22 1f5o h PRO 25 Ca 0.15 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.27 1f5o h PRO 25 Cb 0.32 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1f5o h PRO 25 CO -0.67 0.00 0.02 0.28 -0.21 0.00 0.00 178.00 177.42 1f5o h VAL 26 N 0.01 0.98 0.00 3.15 2.07 -1.16 -2.59 116.25 118.70 1f5o h VAL 26 Ca 0.04 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 1f5o h VAL 26 Cb 0.06 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1f5o h VAL 26 CO -0.09 0.01 -0.26 0.22 0.02 0.00 0.00 177.57 177.48 1f5o h TYR 27 N 0.05 0.00 -0.70 1.57 3.20 -1.02 -2.92 116.97 117.16 1f5o h TYR 27 Ca 0.03 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.08 1f5o h TYR 27 Cb 0.02 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 1f5o h TYR 27 CO -0.10 0.26 0.49 1.03 -1.64 0.00 0.00 178.16 178.20 1f5o h SER 28 N 0.00 0.14 -1.19 -2.11 0.87 -0.59 -1.84 113.55 108.82 1f5o h SER 28 Ca -0.00 0.01 -0.44 0.00 -1.23 0.00 0.00 61.79 60.12 1f5o h SER 28 Cb 0.68 -0.02 -0.41 0.00 -0.44 0.00 0.00 62.40 62.21 1f5o h SER 28 CO 0.03 0.06 -1.03 0.35 -0.53 0.00 0.00 176.83 175.72 1f5o n THR 29 N -4.39 1.49 -0.00 2.23 -2.24 -1.11 -4.94 114.28 105.32 1f5o n THR 29 Ca 0.14 -3.74 0.21 0.00 -2.27 0.00 0.00 64.05 58.38 1f5o n THR 29 Cb 0.68 -0.04 0.70 0.00 -2.10 0.00 0.00 70.33 69.57 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 2.85 0.00 0.00 4.78 -0.00 -1.18 -1.57 116.97 121.85 1f5o h TYR 30 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.75 1f5o h TYR 30 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.81 1f5o h TYR 30 CO 0.62 0.00 -0.14 0.93 -0.00 0.00 0.00 178.16 179.57 1f5o h GLU 31 N 0.00 0.00 0.00 0.10 4.39 -1.89 0.25 114.58 117.43 1f5o h GLU 31 Ca 0.26 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.73 1f5o h GLU 31 Cb 1.07 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 1f5o h GLU 31 CO -0.00 0.14 -1.34 2.41 -1.16 0.00 0.00 179.01 179.06 1f5o n THR 32 N -4.31 1.52 0.05 1.13 -1.04 -0.64 -3.68 114.28 107.31 1f5o n THR 32 Ca -0.03 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.05 61.81 1f5o n THR 32 Cb 0.21 -2.06 -0.06 0.00 -1.82 0.00 0.00 70.33 66.60 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 -1.00 -1.18 -0.68 8.00 0.02 -1.38 -1.17 113.55 116.17 1f5o h SER 33 Ca -0.35 0.15 0.13 0.00 -0.84 0.00 0.00 61.79 60.88 1f5o h SER 33 Cb 1.25 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 64.17 1f5o h SER 33 CO -0.21 -0.43 0.17 1.23 -1.14 0.00 0.00 176.83 176.45 1f5o h GLY 34 N -0.54 0.92 1.16 -3.77 0.00 -0.70 -0.18 103.07 99.96 1f5o h GLY 34 Ca 0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1f5o h GLY 34 CO -0.31 -0.14 0.06 -2.08 0.00 0.00 0.00 176.54 174.07 1f5o h VAL 35 N 0.29 1.26 -0.17 4.60 2.07 -1.50 -0.86 116.25 121.95 1f5o h VAL 35 Ca 0.37 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1f5o h VAL 35 Cb 0.58 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1f5o h VAL 35 CO -0.44 0.39 0.03 0.44 0.02 0.00 0.00 177.57 178.00 1f5o h ASP 36 N 0.95 0.26 -0.55 0.57 3.32 -0.31 0.17 116.42 120.84 1f5o h ASP 36 Ca 0.18 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.03 1f5o h ASP 36 Cb 0.47 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1f5o h ASP 36 CO 0.02 0.45 0.28 0.40 -1.72 0.00 0.00 179.24 178.67 1f5o h ILE 37 N 0.06 0.95 -0.24 0.35 2.04 -0.92 0.20 117.51 119.95 1f5o h ILE 37 Ca 0.05 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.58 1f5o h ILE 37 Cb 0.30 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1f5o h ILE 37 CO 0.00 0.10 -0.41 0.25 0.00 0.00 0.00 178.15 178.09 1f5o h LEU 38 N 0.54 0.77 -0.87 1.44 5.85 -1.04 -1.64 115.31 120.35 1f5o h LEU 38 Ca 0.24 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 1f5o h LEU 38 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1f5o h LEU 38 CO -0.17 1.15 0.09 0.58 -0.34 0.00 0.00 178.44 179.75 1f5o h VAL 39 N 0.41 1.25 0.09 1.05 2.07 -0.33 -0.35 116.25 120.44 1f5o h VAL 39 Ca 0.02 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 1f5o h VAL 39 Cb 1.00 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1f5o h VAL 39 CO 0.09 0.35 -0.04 0.50 0.02 0.00 0.00 177.57 178.49 1f5o h LYS 40 N 0.87 -0.11 -0.44 1.57 3.64 -0.56 -1.65 116.57 119.90 1f5o h LYS 40 Ca 0.18 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1f5o h LYS 40 Cb 0.39 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1f5o h LYS 40 CO 0.01 0.11 0.23 0.35 -2.27 0.00 0.00 179.45 177.88 1f5o h PHE 41 N -0.33 0.42 -0.12 1.91 3.57 -1.12 -2.21 116.94 119.06 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 0.28 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1f5o h PHE 41 CO -0.00 0.22 0.04 0.35 -2.23 0.00 0.00 178.31 176.69 1f5o h PHE 42 N 0.46 0.19 -0.40 0.41 3.04 -1.03 -2.31 116.94 117.29 1f5o h PHE 42 Ca 0.19 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.02 1f5o h PHE 42 Cb 0.08 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 1f5o h PHE 42 CO -0.10 0.30 -0.15 1.79 -2.02 0.00 0.00 178.31 178.13 1f5o h THR 43 N 0.02 1.26 -0.10 4.41 1.35 -1.25 -3.10 112.91 115.51 1f5o h THR 43 Ca 0.04 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1f5o h THR 43 Cb 0.20 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1f5o h THR 43 CO -0.00 0.41 0.00 -1.54 -0.25 0.00 0.00 175.52 174.14 1f5o n SER 44 N -4.15 1.67 -3.24 5.36 3.41 -0.84 -4.43 113.62 111.41 1f5o n SER 44 Ca 0.01 -1.62 -0.24 0.00 -0.26 0.00 0.00 58.87 56.75 1f5o n SER 44 Cb 0.39 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.31 0.31 -0.32 6.66 -1.04 -0.87 -4.97 114.28 114.35 1f5o n THR 45 Ca 0.18 -4.46 0.22 0.00 -2.04 0.00 0.00 64.05 57.95 1f5o n THR 45 Cb 0.36 -1.78 0.43 0.00 -1.82 0.00 0.00 70.33 67.52 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 3.88 0.22 -0.12 -2.82 0.11 -1.78 -1.17 132.00 130.32 1f5o h PRO 46 Ca 0.11 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.24 1f5o h PRO 46 Cb 0.82 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1f5o h PRO 46 CO 0.58 0.15 0.09 0.00 -0.21 0.00 0.00 178.00 178.61 1f5o h ALA 47 N 1.86 2.05 -0.00 -0.75 0.00 -1.93 -2.01 119.26 118.48 1f5o h ALA 47 Ca 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1f5o h ALA 47 Cb 1.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1f5o h ALA 47 CO -0.66 -0.16 -0.37 0.00 0.00 0.00 0.00 179.25 178.06 1f5o n ALA 48 N -2.53 3.28 -0.02 0.00 0.00 -0.44 -4.30 120.51 116.51 1f5o n ALA 48 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.10 1f5o n ALA 48 Cb 0.21 -1.15 0.33 0.00 0.00 0.00 0.00 19.45 18.85 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 0.48 0.56 0.00 0.00 4.20 -1.41 -2.49 115.11 116.44 1f5o h GLN 49 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1f5o h GLN 49 Cb 0.49 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1f5o h GLN 49 CO 0.00 0.50 0.00 -0.85 -0.67 0.00 0.00 178.83 177.81 1f5o n GLU 50 N -4.35 0.06 -0.05 1.46 0.28 -1.26 -1.66 120.64 115.12 1f5o n GLU 50 Ca 0.02 0.49 0.12 0.00 -0.16 0.00 0.00 57.16 57.63 1f5o n GLU 50 Cb 0.17 -1.66 0.41 0.00 1.43 0.00 0.00 31.44 31.80 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 -1.77 0.14 -3.43 -1.84 3.01 -0.94 -4.32 117.46 108.30 1f5o n PHE 51 Ca 0.00 -0.07 -0.29 0.00 1.01 0.00 0.00 57.45 58.11 1f5o n PHE 51 Cb 0.06 0.00 -0.07 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 0.37 3.50 -0.27 1.38 3.01 -0.66 -4.93 117.46 119.86 1f5o n PHE 52 Ca 0.17 -4.01 0.07 0.00 1.01 0.00 0.00 57.45 54.70 1f5o n PHE 52 Cb 0.37 -0.66 0.22 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 4.49 0.34 0.00 -1.08 0.11 -1.81 0.88 132.00 134.92 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 0.67 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1f5o h PRO 53 CO 0.88 0.22 0.00 1.63 -0.21 0.00 0.00 178.00 180.52 1f5o n LYS 54 N -5.09 0.15 -0.14 1.05 5.02 -1.26 -1.68 118.16 116.21 1f5o n LYS 54 Ca 0.16 0.13 0.09 0.00 -2.02 0.00 0.00 58.31 56.68 1f5o n LYS 54 Cb 0.50 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.17 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 0.36 -1.59 2.13 3.01 0.30 -4.92 117.46 115.58 1f5o n PHE 55 Ca 0.04 -0.23 -0.47 0.00 1.01 0.00 0.00 57.45 57.80 1f5o n PHE 55 Cb 0.04 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 1f5o n PHE 55 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1f5o n LYS 56 N 1.09 1.32 0.00 -1.08 5.02 -0.68 -1.28 118.16 122.56 1f5o n LYS 56 Ca 0.15 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1f5o n LYS 56 Cb 0.49 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.75 2.41 3.75 0.72 0.00 -1.26 -5.01 105.19 107.54 1f5o n GLY 57 Ca 0.13 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 0.33 0.99 2.01 -0.40 -4.88 118.68 121.14 1f5o s LEU 58 Ca 0.00 2.56 0.00 0.00 0.01 0.00 0.00 54.13 56.70 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 -0.55 0.00 0.35 1.01 0.00 0.00 176.35 177.16 1f5o n THR 59 N 1.81 0.00 -1.80 5.49 -2.24 -1.26 -5.03 114.28 111.25 1f5o n THR 59 Ca 0.04 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 1f5o n THR 59 Cb 0.42 -0.43 0.05 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.00 2.13 0.32 4.28 -4.23 -1.26 -4.86 115.64 110.02 1f5o s THR 60 Ca 0.00 0.09 0.36 0.00 -1.18 0.00 0.00 61.69 60.96 1f5o s THR 60 Cb 0.00 -3.04 0.39 0.00 1.34 0.00 0.00 72.50 71.18 1f5o s THR 60 CO 0.00 -0.01 2.11 0.00 -0.54 0.00 0.00 174.62 176.18 1f5o h ALA 61 N 1.12 1.04 -0.12 3.99 0.00 -1.99 -2.58 119.26 120.72 1f5o h ALA 61 Ca -0.51 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1f5o h ALA 61 Cb 1.31 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1f5o h ALA 61 CO 0.56 0.04 -0.53 0.22 0.00 0.00 0.00 179.25 179.53 1f5o h ASP 62 N 0.00 0.68 -0.34 0.00 -0.00 -2.00 -2.67 116.42 112.09 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 0.35 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 39.46 1f5o h ASP 62 CO 0.00 1.20 0.22 1.56 -0.00 0.00 0.00 179.24 182.22 1f5o h GLN 63 N 0.20 0.46 0.39 0.28 4.20 -1.83 -3.11 115.11 115.69 1f5o h GLN 63 Ca -0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1f5o h GLN 63 Cb 1.17 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 1f5o h GLN 63 CO 0.11 0.32 -0.40 -0.07 -0.67 0.00 0.00 178.83 178.13 1f5o h LEU 64 N 0.45 -1.08 -1.26 1.46 3.38 -1.54 -1.81 115.31 114.91 1f5o h LEU 64 Ca 0.12 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1f5o h LEU 64 Cb -0.03 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1f5o h LEU 64 CO -0.03 -0.54 0.28 0.11 0.09 0.00 0.00 178.44 178.35 1f5o h LYS 65 N -0.81 0.00 0.00 1.13 1.57 -1.43 0.09 116.57 117.12 1f5o h LYS 65 Ca -0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1f5o h LYS 65 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1f5o h LYS 65 CO -0.07 0.00 -1.93 1.63 -0.57 0.00 0.00 179.45 178.51 1f5o n LYS 66 N -2.32 0.66 -2.21 3.15 5.02 -0.75 -4.91 118.16 116.79 1f5o n LYS 66 Ca -0.01 -0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.73 1f5o n LYS 66 Cb 0.31 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 -4.78 6.88 0.40 4.39 0.15 0.02 -4.91 113.70 115.85 1f5o s SER 67 Ca -0.07 2.33 0.21 0.00 0.70 0.00 0.00 55.95 59.12 1f5o s SER 67 Cb 0.12 -2.60 0.75 0.00 -1.71 0.00 0.00 66.02 62.59 1f5o s SER 67 CO 0.88 -0.58 1.76 0.00 1.20 0.00 0.00 173.24 176.51 1f5o h ALA 68 N 6.13 1.00 -0.37 5.45 0.00 -1.92 -2.56 119.26 126.99 1f5o h ALA 68 Ca -0.43 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 1f5o h ALA 68 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1f5o h ALA 68 CO 0.82 0.40 0.00 -0.44 0.00 0.00 0.00 179.25 180.02 1f5o h ASP 69 N 0.00 0.64 -0.30 0.00 3.45 -1.93 -1.87 116.42 116.41 1f5o h ASP 69 Ca -0.00 -0.31 -0.03 0.00 0.43 0.00 0.00 57.03 57.12 1f5o h ASP 69 Cb 0.85 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.44 1f5o h ASP 69 CO 0.04 0.79 0.09 0.58 -1.57 0.00 0.00 179.24 179.17 1f5o h VAL 70 N 0.47 1.21 -0.86 -1.35 2.07 -1.80 -2.23 116.25 113.76 1f5o h VAL 70 Ca 0.10 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1f5o h VAL 70 Cb 0.46 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1f5o h VAL 70 CO 0.02 0.22 0.50 0.03 0.02 0.00 0.00 177.57 178.36 1f5o h ARG 71 N 0.32 1.18 -0.16 1.57 3.08 -1.39 -1.18 114.38 117.81 1f5o h ARG 71 Ca 0.10 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1f5o h ARG 71 Cb 0.26 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1f5o h ARG 71 CO -0.00 0.84 -0.05 2.35 -1.07 0.00 0.00 179.97 182.04 1f5o h TRP 72 N 1.19 0.35 -0.97 3.04 -0.00 -1.24 -0.13 115.95 118.19 1f5o h TRP 72 Ca 0.31 -0.08 0.00 0.00 -0.00 0.00 0.00 58.89 59.12 1f5o h TRP 72 Cb -0.02 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 29.01 1f5o h TRP 72 CO 0.01 0.59 0.61 1.25 -0.00 0.00 0.00 178.44 180.90 1f5o h HIS 73 N -0.00 1.26 -0.32 2.65 2.76 -1.24 -1.29 115.15 118.97 1f5o h HIS 73 Ca 0.04 0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.05 1f5o h HIS 73 Cb 0.49 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1f5o h HIS 73 CO 0.06 0.82 -0.45 0.00 -1.30 0.00 0.00 177.93 177.06 1f5o h ALA 74 N 1.34 0.60 -0.31 5.26 0.00 -1.11 -2.05 119.26 123.00 1f5o h ALA 74 Ca 0.35 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1f5o h ALA 74 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1f5o h ALA 74 CO -0.07 0.68 -0.17 0.93 0.00 0.00 0.00 179.25 180.62 1f5o h GLU 75 N 0.67 0.55 -0.11 0.00 5.08 -0.62 -0.68 114.58 119.46 1f5o h GLU 75 Ca 0.04 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1f5o h GLU 75 Cb 1.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1f5o h GLU 75 CO 0.10 0.70 -0.22 0.00 -1.00 0.00 0.00 179.01 178.59 1f5o h ARG 76 N 0.50 0.34 -0.07 2.33 3.08 -1.17 -2.28 114.38 117.10 1f5o h ARG 76 Ca 0.08 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1f5o h ARG 76 Cb 0.58 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1f5o h ARG 76 CO 0.04 0.82 0.04 0.82 -1.07 0.00 0.00 179.97 180.62 1f5o h ILE 77 N -0.09 1.05 -0.27 2.04 2.04 -1.27 -1.75 117.51 119.26 1f5o h ILE 77 Ca 0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1f5o h ILE 77 Cb 0.80 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1f5o h ILE 77 CO 0.05 0.04 0.10 -0.29 0.00 0.00 0.00 178.15 178.05 1f5o h ILE 78 N 0.07 1.11 0.00 -0.67 -0.00 -1.19 -2.00 117.51 114.83 1f5o h ILE 78 Ca 0.03 -0.35 -0.05 0.00 -0.00 0.00 0.00 64.86 64.48 1f5o h ILE 78 Cb 0.03 0.80 -0.01 0.00 -0.00 0.00 0.00 36.82 37.64 1f5o h ILE 78 CO -0.01 0.13 -0.26 0.78 -0.00 0.00 0.00 178.15 178.80 1f5o h ASN 79 N 0.38 0.00 -0.19 2.19 2.35 -1.08 -2.49 115.58 116.74 1f5o h ASN 79 Ca 0.10 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1f5o h ASN 79 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1f5o h ASN 79 CO -0.01 0.26 -0.09 0.00 -1.65 0.00 0.00 177.43 175.94 1f5o h ALA 80 N 1.74 0.26 -0.84 -0.83 0.00 -0.58 -0.82 119.26 118.19 1f5o h ALA 80 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1f5o h ALA 80 Cb 1.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1f5o h ALA 80 CO 0.03 0.09 0.56 0.28 0.00 0.00 0.00 179.25 180.21 1f5o h VAL 81 N 0.08 1.21 -0.95 0.00 2.07 -1.42 -1.57 116.25 115.68 1f5o h VAL 81 Ca 0.04 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1f5o h VAL 81 Cb 0.57 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1f5o h VAL 81 CO 0.03 0.21 0.63 -1.13 0.02 0.00 0.00 177.57 177.32 1f5o h ASN 82 N 1.14 1.06 -0.76 0.57 -1.24 -1.16 -0.21 115.58 114.97 1f5o h ASN 82 Ca 0.31 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.28 1f5o h ASN 82 Cb -0.13 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.63 1f5o h ASN 82 CO -0.07 0.75 0.38 0.44 -1.29 0.00 0.00 177.43 177.63 1f5o h ASP 83 N 1.24 0.99 -0.13 1.15 3.45 -0.21 0.51 116.42 123.42 1f5o h ASP 83 Ca 0.36 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.69 1f5o h ASP 83 Cb -0.06 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.45 1f5o h ASP 83 CO -0.10 0.84 0.07 0.00 -1.57 0.00 0.00 179.24 178.48 1f5o h ALA 84 N 1.19 0.17 -0.98 3.45 0.00 -0.51 -1.99 119.26 120.59 1f5o h ALA 84 Ca 0.26 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1f5o h ALA 84 Cb 0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1f5o h ALA 84 CO -0.03 -0.29 0.63 0.28 0.00 0.00 0.00 179.25 179.84 1f5o h VAL 85 N 0.11 1.13 0.00 0.00 2.07 -0.59 0.33 116.25 119.29 1f5o h VAL 85 Ca 0.05 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1f5o h VAL 85 Cb 0.08 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.68 1f5o h VAL 85 CO -0.01 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.80 1f5o n ALA 86 N -2.36 1.80 -0.21 1.67 0.00 0.13 -3.22 120.51 118.31 1f5o n ALA 86 Ca 0.14 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.60 1f5o n ALA 86 Cb 0.13 -1.32 0.13 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.70 2.82 0.28 0.00 7.64 0.08 -4.66 113.62 118.07 1f5o n SER 87 Ca 0.04 -2.08 0.17 0.00 1.01 0.00 0.00 58.87 58.00 1f5o n SER 87 Cb 0.22 -0.21 0.83 0.00 -1.01 0.00 0.00 64.21 64.04 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 1.62 0.00 -0.01 1.43 2.86 -1.45 0.31 114.93 119.69 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 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1f5o h MET 88 CO 0.02 0.00 -0.38 -0.25 1.06 0.00 0.00 176.91 177.36 1f5o n ASP 89 N -3.11 1.00 -3.38 1.22 10.43 -1.26 -4.31 116.55 117.13 1f5o n ASP 89 Ca -0.00 -0.80 -0.26 0.00 2.57 0.00 0.00 54.79 56.30 1f5o n ASP 89 Cb 0.41 0.25 -0.09 0.00 1.84 0.00 0.00 41.12 43.53 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 -0.84 0.93 0.33 -2.24 4.64 0.11 -4.95 116.55 114.53 1f5o n ASP 90 Ca 0.10 -2.78 0.21 0.00 -1.38 0.00 0.00 54.79 50.94 1f5o n ASP 90 Cb 0.36 -0.63 1.14 0.00 -1.04 0.00 0.00 41.12 40.94 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 3.33 0.06 -0.10 5.18 1.03 -1.74 -1.75 112.91 118.91 1f5o h THR 91 Ca 0.16 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 66.39 1f5o h THR 91 Cb 0.84 0.95 0.01 0.00 -1.07 0.00 0.00 68.15 68.87 1f5o h THR 91 CO 0.53 0.00 -0.64 -0.08 -0.01 0.00 0.00 175.52 175.32 1f5o h GLU 92 N 0.00 0.61 -0.44 0.00 4.81 -1.92 -2.45 114.58 115.19 1f5o h GLU 92 Ca 0.00 -0.52 -0.14 0.00 -0.13 0.00 0.00 59.36 58.57 1f5o h GLU 92 Cb 0.11 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1f5o h GLU 92 CO -0.00 1.14 -0.29 -0.22 -0.73 0.00 0.00 179.01 178.91 1f5o h LYS 93 N 0.26 0.97 -0.95 1.92 3.64 -1.69 -2.69 116.57 118.03 1f5o h LYS 93 Ca -0.05 -0.46 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1f5o h LYS 93 Cb 1.28 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 1f5o h LYS 93 CO 0.13 1.13 0.62 1.98 -2.27 0.00 0.00 179.45 181.04 1f5o h MET 94 N 0.82 1.12 0.19 1.90 4.05 -1.39 -2.75 114.93 118.87 1f5o h MET 94 Ca 0.09 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1f5o h MET 94 Cb 0.88 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1f5o h MET 94 CO 0.08 0.74 -0.09 0.77 0.23 0.00 0.00 176.91 178.64 1f5o h SER 95 N 1.16 -0.22 -0.36 1.39 0.02 -1.28 -2.65 113.55 111.61 1f5o h SER 95 Ca 0.39 -0.23 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 1f5o h SER 95 Cb 0.07 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.58 1f5o h SER 95 CO -0.13 0.12 -0.23 0.24 -1.14 0.00 0.00 176.83 175.70 1f5o h MET 96 N -0.59 -0.17 -0.54 3.45 2.07 -1.33 0.17 114.93 118.00 1f5o h MET 96 Ca -0.03 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.62 1f5o h MET 96 Cb 0.43 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.18 1f5o h MET 96 CO 0.04 -0.11 0.35 -0.22 1.07 0.00 0.00 176.91 178.04 1f5o h LYS 97 N -0.18 0.69 -0.31 1.72 3.64 -1.56 -1.81 116.57 118.76 1f5o h LYS 97 Ca 0.18 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 1f5o h LYS 97 Cb 0.45 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1f5o h LYS 97 CO -0.46 0.46 -0.50 -0.07 -2.27 0.00 0.00 179.45 176.61 1f5o h LEU 98 N 0.72 0.96 -0.94 5.20 3.38 -1.03 -2.15 115.31 121.44 1f5o h LEU 98 Ca 0.20 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1f5o h LEU 98 Cb -0.07 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 1f5o h LEU 98 CO -0.05 1.29 0.49 0.03 0.09 0.00 0.00 178.44 180.29 1f5o h ARG 99 N 0.69 1.23 -0.25 1.13 3.08 -0.54 0.52 114.38 120.24 1f5o h ARG 99 Ca 0.03 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1f5o h ARG 99 Cb 1.10 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 1f5o h ARG 99 CO 0.11 0.90 0.14 0.22 -1.07 0.00 0.00 179.97 180.27 1f5o h ASP 100 N 1.24 0.23 -0.46 7.04 3.58 -1.22 -1.23 116.42 125.61 1f5o h ASP 100 Ca 0.31 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 1f5o h ASP 100 Cb 0.02 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1f5o h ASP 100 CO -0.05 0.17 0.21 0.25 -2.88 0.00 0.00 179.24 176.94 1f5o h LEU 101 N 0.30 0.64 -0.14 2.28 5.85 -0.59 -2.10 115.31 121.55 1f5o h LEU 101 Ca 0.10 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1f5o h LEU 101 Cb -0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1f5o h LEU 101 CO -0.05 0.57 0.08 -1.28 -0.34 0.00 0.00 178.44 177.42 1f5o h SER 102 N 0.71 0.12 -0.85 1.25 0.87 0.87 -2.26 113.55 114.26 1f5o h SER 102 Ca 0.17 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.83 1f5o h SER 102 Cb 0.12 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 61.99 1f5o h SER 102 CO -0.02 0.09 0.50 1.23 -0.53 0.00 0.00 176.83 178.10 1f5o h GLY 103 N 0.16 1.32 1.03 5.77 0.00 -0.58 -1.35 103.07 109.42 1f5o h GLY 103 Ca 0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1f5o h GLY 103 CO -0.03 0.15 0.23 0.50 0.00 0.00 0.00 176.54 177.38 1f5o h LYS 104 N 0.83 1.04 -0.57 4.80 1.57 -1.09 0.19 116.57 123.35 1f5o h LYS 104 Ca 0.41 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1f5o h LYS 104 Cb 0.36 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1f5o h LYS 104 CO -0.24 0.89 0.01 0.45 -0.57 0.00 0.00 179.45 179.98 1f5o h HIS 105 N 0.98 1.05 0.19 -1.35 3.86 -0.76 -0.98 115.15 118.15 1f5o h HIS 105 Ca 0.22 -0.17 -0.28 0.00 -1.16 0.00 0.00 60.37 58.98 1f5o h HIS 105 Cb 0.27 -0.28 0.03 0.00 1.06 0.00 0.00 27.41 28.50 1f5o h HIS 105 CO 0.02 0.93 -1.23 0.00 0.86 0.00 0.00 177.93 178.51 1f5o h ALA 106 N 1.10 -0.11 0.00 2.45 0.00 -1.03 0.15 119.26 121.82 1f5o h ALA 106 Ca 0.16 -0.79 -0.21 0.00 0.00 0.00 0.00 54.91 54.08 1f5o h ALA 106 Cb 0.52 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1f5o h ALA 106 CO 0.03 0.59 -1.37 0.87 0.00 0.00 0.00 179.25 179.37 1f5o h LYS 107 N 0.02 0.00 0.00 0.00 1.57 -0.66 -3.37 116.57 114.13 1f5o h LYS 107 Ca -0.21 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1f5o h LYS 107 Cb 1.95 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.26 1f5o h LYS 107 CO 0.23 0.47 -0.58 0.43 -0.57 0.00 0.00 179.45 179.44 1f5o n SER 108 N -3.04 1.19 0.22 0.86 7.64 -0.44 -4.71 113.62 115.34 1f5o n SER 108 Ca -0.10 0.18 0.09 0.00 1.01 0.00 0.00 58.87 60.05 1f5o n SER 108 Cb 0.92 -0.41 0.48 0.00 -1.01 0.00 0.00 64.21 64.18 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 -0.31 0.00 -6.14 1.43 0.05 -1.45 -3.48 116.94 107.05 1f5o h PHE 109 Ca -0.05 0.00 -0.42 0.00 3.82 0.00 0.00 57.97 61.32 1f5o h PHE 109 Cb 0.51 0.00 0.06 0.00 2.00 0.00 0.00 35.95 38.52 1f5o h PHE 109 CO -0.11 0.24 -0.88 1.04 -0.18 0.00 0.00 178.31 178.43 1f5o n GLN 110 N -3.49 -3.26 -3.74 1.51 6.02 0.46 -4.96 117.38 109.91 1f5o n GLN 110 Ca -0.00 0.56 -0.35 0.00 -0.01 0.00 0.00 57.00 57.19 1f5o n GLN 110 Cb 0.41 -4.81 -0.05 0.00 1.02 0.00 0.00 30.24 26.81 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 -3.63 5.29 0.04 5.09 -7.23 -0.90 -5.03 120.40 114.03 1f5o s VAL 111 Ca 0.19 0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 60.29 1f5o s VAL 111 Cb -0.06 -3.57 -0.09 0.00 0.56 0.00 0.00 36.38 33.23 1f5o s VAL 111 CO 0.83 0.40 1.84 -0.62 -0.31 0.00 0.00 175.10 177.25 1f5o s ASP 112 N -1.60 6.50 0.27 4.85 -1.08 -1.26 -4.79 116.67 119.56 1f5o s ASP 112 Ca 0.26 2.59 0.20 0.00 -0.52 0.00 0.00 52.55 55.08 1f5o s ASP 112 Cb -0.13 -2.54 1.02 0.00 -1.46 0.00 0.00 42.92 39.80 1f5o s ASP 112 CO 0.15 -1.00 1.60 -0.81 0.52 0.00 0.00 175.17 175.63 1f5o n PRO 113 N 6.84 0.13 0.22 4.34 -0.04 -1.26 -3.29 135.00 141.94 1f5o n PRO 113 Ca 0.18 0.58 0.08 0.00 -0.04 0.00 0.00 63.50 64.30 1f5o n PRO 113 Cb 0.41 -1.89 0.49 0.00 -0.04 0.00 0.00 33.50 32.46 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 -3.20 115.11 113.49 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 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.63 1f5o h GLN 114 CO 0.00 0.27 0.00 1.88 0.09 0.00 0.00 178.83 181.07 1f5o h TYR 115 N 0.00 0.00 -0.67 0.06 -1.99 -1.97 -3.34 116.97 109.06 1f5o h TYR 115 Ca -0.00 0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.87 1f5o h TYR 115 Cb 0.63 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.24 1f5o h TYR 115 CO 0.00 0.00 -0.11 0.74 -0.00 0.00 0.00 178.16 178.79 1f5o h PHE 116 N 0.00 -0.25 -0.02 4.88 0.05 -1.79 0.66 116.94 120.47 1f5o h PHE 116 Ca 0.00 0.06 -0.12 0.00 3.82 0.00 0.00 57.97 61.73 1f5o h PHE 116 Cb 0.76 0.22 -0.02 0.00 2.00 0.00 0.00 35.95 38.91 1f5o h PHE 116 CO 0.00 -0.26 -0.53 1.57 -0.18 0.00 0.00 178.31 178.91 1f5o h LYS 117 N 0.03 0.05 -0.12 1.51 2.10 -1.83 -0.70 116.57 117.61 1f5o h LYS 117 Ca 0.34 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1f5o h LYS 117 Cb 0.54 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1f5o h LYS 117 CO -0.66 0.57 0.06 0.28 -2.00 0.00 0.00 179.45 177.70 1f5o h VAL 118 N 0.04 1.11 -0.27 0.07 2.07 -1.09 -1.18 116.25 117.00 1f5o h VAL 118 Ca -0.00 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 1f5o h VAL 118 Cb 0.95 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1f5o h VAL 118 CO 0.07 0.10 -0.37 0.25 0.02 0.00 0.00 177.57 177.64 1f5o h LEU 119 N 0.07 0.64 -1.18 2.57 5.85 -1.18 -2.82 115.31 119.26 1f5o h LEU 119 Ca 0.04 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1f5o h LEU 119 Cb 0.11 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1f5o h LEU 119 CO -0.01 0.95 0.57 0.00 -0.34 0.00 0.00 178.44 179.61 1f5o h ALA 120 N 1.08 1.51 -0.39 1.25 0.00 -0.86 -1.84 119.26 120.01 1f5o h ALA 120 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1f5o h ALA 120 Cb 0.88 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1f5o h ALA 120 CO 0.08 0.37 0.21 0.00 0.00 0.00 0.00 179.25 179.91 1f5o h ALA 121 N 1.51 0.50 -0.90 0.00 0.00 -0.96 -0.16 119.26 119.26 1f5o h ALA 121 Ca 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1f5o h ALA 121 Cb 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1f5o h ALA 121 CO -0.13 0.03 0.58 0.28 0.00 0.00 0.00 179.25 180.01 1f5o h VAL 122 N 0.50 1.24 -0.42 0.00 2.07 -1.27 0.60 116.25 118.96 1f5o h VAL 122 Ca 0.14 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1f5o h VAL 122 Cb 0.06 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1f5o h VAL 122 CO -0.02 0.23 -0.01 0.40 0.02 0.00 0.00 177.57 178.19 1f5o h ILE 123 N 1.22 1.23 -0.34 4.57 2.04 -0.94 -2.22 117.51 123.07 1f5o h ILE 123 Ca 0.33 -0.95 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 1f5o h ILE 123 Cb -0.11 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1f5o h ILE 123 CO -0.07 0.33 -0.24 0.00 0.00 0.00 0.00 178.15 178.17 1f5o h ALA 124 N 1.34 0.48 0.08 1.87 0.00 0.21 -1.77 119.26 121.47 1f5o h ALA 124 Ca 0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1f5o h ALA 124 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1f5o h ALA 124 CO 0.02 0.47 -0.04 -0.44 0.00 0.00 0.00 179.25 179.26 1f5o h ASP 125 N 0.54 -0.10 -0.38 0.00 3.45 -0.74 -0.76 116.42 118.43 1f5o h ASP 125 Ca 0.07 -0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.52 1f5o h ASP 125 Cb 0.80 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.57 1f5o h ASP 125 CO 0.06 -0.04 0.23 0.74 -1.57 0.00 0.00 179.24 178.66 1f5o h THR 126 N -0.14 1.06 0.08 0.35 2.02 -1.40 -2.84 112.91 112.04 1f5o h THR 126 Ca -0.01 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1f5o h THR 126 Cb 0.11 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1f5o h THR 126 CO 0.02 0.09 -0.04 0.58 0.37 0.00 0.00 175.52 176.54 1f5o h VAL 127 N 0.48 0.97 -0.85 3.16 2.07 -1.26 -3.44 116.25 117.38 1f5o h VAL 127 Ca 0.15 -1.47 -0.30 0.00 0.82 0.00 0.00 66.70 65.90 1f5o h VAL 127 Cb -0.02 1.74 -0.21 0.00 -1.52 0.00 0.00 31.29 31.27 1f5o h VAL 127 CO -0.05 0.29 -0.65 0.00 0.02 0.00 0.00 177.57 177.18 1f5o n ALA 128 N -2.62 -0.42 -1.64 1.67 0.00 -0.34 -4.82 120.51 112.35 1f5o n ALA 128 Ca -0.07 -1.84 -0.48 0.00 0.00 0.00 0.00 53.44 51.05 1f5o n ALA 128 Cb 0.27 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 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 2.05 0.43 0.00 0.00 0.00 -0.93 -1.71 120.51 120.35 1f5o n ALA 129 Ca 0.16 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1f5o n ALA 129 Cb 0.58 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 3.02 2.92 3.67 0.00 0.00 -1.26 -5.01 105.19 108.52 1f5o n GLY 130 Ca 0.17 0.00 -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 -0.10 6.65 0.16 1.61 2.15 -0.69 -4.87 116.67 121.57 1f5o s ASP 131 Ca 0.00 2.35 -0.07 0.00 0.43 0.00 0.00 52.55 55.25 1f5o s ASP 131 Cb 0.00 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.08 1f5o s ASP 131 CO 0.00 -0.90 1.45 0.00 -0.17 0.00 0.00 175.17 175.55 1f5o h ALA 132 N 8.98 0.57 -0.30 3.66 0.00 -1.95 -2.69 119.26 127.53 1f5o h ALA 132 Ca -0.41 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.04 1f5o h ALA 132 Cb 1.19 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1f5o h ALA 132 CO 0.94 0.69 -0.06 0.78 0.00 0.00 0.00 179.25 181.59 1f5o h GLY 133 N 0.87 0.23 1.60 0.00 0.00 -1.93 0.10 103.07 103.94 1f5o h GLY 133 Ca 0.01 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 1f5o h GLY 133 CO 0.11 -0.10 -0.08 -2.75 0.00 0.00 0.00 176.54 173.72 1f5o h PHE 134 N 0.02 0.52 -0.02 5.60 3.57 -1.88 -1.64 116.94 123.11 1f5o h PHE 134 Ca 0.14 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1f5o h PHE 134 Cb 0.21 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1f5o h PHE 134 CO -0.27 0.57 -0.30 0.93 -2.23 0.00 0.00 178.31 177.00 1f5o h GLU 135 N 0.46 0.03 -0.32 1.11 5.08 -0.86 -1.54 114.58 118.54 1f5o h GLU 135 Ca 0.09 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1f5o h GLU 135 Cb 0.43 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1f5o h GLU 135 CO 0.02 0.34 -0.31 -0.22 -1.00 0.00 0.00 179.01 177.83 1f5o h LYS 136 N 0.03 0.78 -0.37 2.33 3.64 0.07 -1.78 116.57 121.26 1f5o h LYS 136 Ca 0.00 -0.41 -0.07 0.00 -1.27 0.00 0.00 60.65 58.91 1f5o h LYS 136 Cb 0.56 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1f5o h LYS 136 CO 0.04 1.04 -0.05 1.25 -2.27 0.00 0.00 179.45 179.46 1f5o h LEU 137 N 0.55 0.58 -0.80 5.20 7.12 -0.94 -2.09 115.31 124.93 1f5o h LEU 137 Ca 0.05 -0.14 -0.13 0.00 0.13 0.00 0.00 57.88 57.80 1f5o h LEU 137 Cb 0.89 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.85 1f5o h LEU 137 CO 0.08 0.69 -0.58 0.24 -0.13 0.00 0.00 178.44 178.73 1f5o h MET 138 N 0.57 0.06 -0.38 1.25 2.86 -1.13 -2.80 114.93 115.35 1f5o h MET 138 Ca 0.11 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1f5o h MET 138 Cb 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1f5o h MET 138 CO 0.02 0.62 -0.12 0.77 1.06 0.00 0.00 176.91 179.26 1f5o h SER 139 N 0.04 0.77 -0.48 1.22 0.02 -0.77 -0.65 113.55 113.71 1f5o h SER 139 Ca -0.01 -0.38 0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1f5o h SER 139 Cb 1.04 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1f5o h SER 139 CO 0.08 0.97 0.27 0.24 -1.14 0.00 0.00 176.83 177.25 1f5o h MET 140 N 0.56 0.52 -0.68 3.45 2.07 -1.31 0.17 114.93 119.72 1f5o h MET 140 Ca 0.09 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.67 1f5o h MET 140 Cb 0.65 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 30.23 1f5o h MET 140 CO 0.04 0.35 0.33 0.82 1.07 0.00 0.00 176.91 179.52 1f5o h ILE 141 N 0.54 1.23 -0.36 -1.22 2.04 -1.27 -1.67 117.51 116.80 1f5o h ILE 141 Ca 0.20 -0.64 -0.15 0.00 1.00 0.00 0.00 64.86 65.26 1f5o h ILE 141 Cb 0.05 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1f5o h ILE 141 CO -0.11 0.27 -0.36 0.00 0.00 0.00 0.00 178.15 177.94 1f5o h ILE 143 N 0.69 1.24 -0.14 0.00 2.04 -0.82 -2.16 117.51 118.36 1f5o h ILE 143 Ca 0.06 -0.59 -0.18 0.00 1.00 0.00 0.00 64.86 65.15 1f5o h ILE 143 Cb 0.96 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1f5o h ILE 143 CO 0.09 0.26 -0.65 -0.07 0.00 0.00 0.00 178.15 177.78 1f5o h LEU 144 N 1.12 0.60 -1.87 1.44 3.38 -1.23 -2.95 115.31 115.80 1f5o h LEU 144 Ca 0.28 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1f5o h LEU 144 Cb 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1f5o h LEU 144 CO -0.05 1.09 0.00 -0.07 0.09 0.00 0.00 178.44 179.51 1f5o h LEU 145 N 0.38 0.00 -1.80 1.67 3.38 -0.61 -1.66 115.31 116.66 1f5o h LEU 145 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1f5o h LEU 145 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1f5o h LEU 145 CO 0.12 0.00 -0.04 0.54 0.09 0.00 0.00 178.44 179.15 1f5o n ARG 146 N -2.86 2.07 0.29 1.13 1.74 -0.85 -4.52 116.66 113.65 1f5o n ARG 146 Ca -0.01 -1.78 0.16 0.00 -0.77 0.00 0.00 57.85 55.46 1f5o n ARG 146 Cb 0.18 -1.43 0.88 0.00 -1.02 0.00 0.00 32.46 31.07 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 4.26 0.00 0.79 0.55 4.64 -1.15 -2.53 113.55 120.12 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 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1f5o h SER 147 CO 0.00 0.05 -0.70 0.00 -0.87 0.00 0.00 176.83 175.31 1f5o n ALA 148 N -2.22 2.99 1.90 5.18 0.00 -1.26 -5.05 120.51 122.05 1f5o n ALA 148 Ca -0.02 -0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.30 1f5o n ALA 148 Cb 0.17 -1.14 0.90 0.00 0.00 0.00 0.00 19.45 19.39 1f5o n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16