#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 4.66 0.13 0.52 1.01 -1.26 -4.94 121.20 121.31 1f5o s ILE 2 Ca 0.00 1.91 0.09 0.00 0.00 0.00 0.00 60.65 62.65 1f5o s ILE 2 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1f5o s ILE 2 CO 0.00 0.12 -0.14 0.68 0.00 0.00 0.00 174.94 175.59 1f5o s VAL 3 N 1.24 3.03 -0.13 2.92 -7.23 -1.26 -5.02 120.40 113.95 1f5o s VAL 3 Ca 0.53 -1.51 0.16 0.00 -1.81 0.00 0.00 61.98 59.34 1f5o s VAL 3 Cb -0.22 -2.43 0.29 0.00 0.56 0.00 0.00 36.38 34.58 1f5o s VAL 3 CO 0.26 0.04 1.15 -0.90 -0.31 0.00 0.00 175.10 175.34 1f5o n ASP 4 N 0.56 1.91 -4.06 4.85 5.75 -1.26 -4.38 116.55 119.93 1f5o n ASP 4 Ca -0.14 -3.10 -0.09 0.00 -0.01 0.00 0.00 54.79 51.45 1f5o n ASP 4 Cb 0.53 -0.42 -0.09 0.00 -1.03 0.00 0.00 41.12 40.11 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 -2.54 0.13 0.00 2.12 2.01 -1.26 -4.32 115.64 111.78 1f5o s THR 5 Ca 0.30 -1.68 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1f5o s THR 5 Cb 0.27 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 71.01 1f5o s THR 5 CO -0.00 -0.60 0.00 0.61 -0.69 0.00 0.00 174.62 173.94 1f5o n GLY 6 N -0.06 1.73 3.14 4.40 0.00 -1.26 -4.87 105.19 108.27 1f5o n GLY 6 Ca -0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 0.16 0.06 1.61 0.15 -1.26 -5.04 113.70 105.38 1f5o s SER 7 Ca 0.00 -0.55 0.06 0.00 0.70 0.00 0.00 55.95 56.16 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 -0.56 -0.16 0.68 1.20 0.00 0.00 173.24 174.40 1f5o s VAL 8 N -2.87 1.30 0.65 4.45 -7.23 -1.26 -5.13 120.40 110.30 1f5o s VAL 8 Ca -0.03 -1.19 -0.18 0.00 -1.81 0.00 0.00 61.98 58.78 1f5o s VAL 8 Cb 0.00 -1.18 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 1f5o s VAL 8 CO -0.06 -0.02 1.25 0.00 -0.31 0.00 0.00 175.10 175.96 1f5o s ALA 9 N -0.98 2.38 1.01 1.32 0.00 -1.26 -4.97 121.76 119.26 1f5o s ALA 9 Ca 0.02 1.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 1f5o s ALA 9 Cb -0.09 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.63 1f5o s ALA 9 CO 0.02 -1.51 0.50 -2.30 0.00 0.00 0.00 175.76 172.47 1f5o n PRO 10 N -1.96 -0.87 -3.13 0.00 -0.02 -1.26 -4.95 135.00 122.81 1f5o n PRO 10 Ca 0.15 -0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.02 1f5o n PRO 10 Cb 0.49 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 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 -2.71 4.38 0.53 2.45 1.43 -1.26 -5.06 118.68 118.44 1f5o s LEU 11 Ca 0.60 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 1f5o s LEU 11 Cb -0.20 -3.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.97 1f5o s LEU 11 CO 0.65 0.01 0.93 -0.94 0.23 0.00 0.00 176.35 177.23 1f5o s SER 12 N 0.20 6.40 0.41 2.29 1.04 -1.26 -4.88 113.70 117.90 1f5o s SER 12 Ca 0.34 1.33 0.12 0.00 0.48 0.00 0.00 55.95 58.21 1f5o s SER 12 Cb -0.18 -2.42 0.95 0.00 0.10 0.00 0.00 66.02 64.48 1f5o s SER 12 CO 0.18 -0.65 1.95 0.00 0.98 0.00 0.00 173.24 175.70 1f5o h ALA 13 N 0.43 1.96 -0.28 5.32 0.00 -1.99 -0.70 119.26 123.99 1f5o h ALA 13 Ca -0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1f5o h ALA 13 Cb 1.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1f5o h ALA 13 CO 0.62 -0.11 0.05 0.00 0.00 0.00 0.00 179.25 179.81 1f5o h ALA 14 N 1.66 0.37 -0.55 0.00 0.00 -2.00 -2.53 119.26 116.21 1f5o h ALA 14 Ca 0.32 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1f5o h ALA 14 Cb 0.58 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1f5o h ALA 14 CO -0.11 0.05 0.07 0.93 0.00 0.00 0.00 179.25 180.20 1f5o h GLU 15 N 0.29 0.92 -0.96 0.00 5.08 -1.60 -2.64 114.58 115.66 1f5o h GLU 15 Ca 0.09 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1f5o h GLU 15 Cb 0.32 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1f5o h GLU 15 CO 0.00 0.90 0.63 0.87 -1.00 0.00 0.00 179.01 180.42 1f5o h LYS 16 N 0.81 1.21 -0.35 2.33 1.57 -1.13 -0.92 116.57 120.09 1f5o h LYS 16 Ca 0.17 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1f5o h LYS 16 Cb 0.43 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1f5o h LYS 16 CO 0.01 0.80 0.18 1.15 -0.57 0.00 0.00 179.45 181.03 1f5o h THR 17 N 1.25 1.15 -0.41 -0.16 2.02 -1.21 -0.41 112.91 115.13 1f5o h THR 17 Ca 0.37 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1f5o h THR 17 Cb -0.05 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1f5o h THR 17 CO -0.11 0.15 0.13 0.11 0.37 0.00 0.00 175.52 176.18 1f5o h LYS 18 N 0.44 0.64 0.04 6.66 1.57 -1.12 -2.17 116.57 122.62 1f5o h LYS 18 Ca 0.12 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1f5o h LYS 18 Cb 0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1f5o h LYS 18 CO -0.02 0.63 -0.20 0.82 -0.57 0.00 0.00 179.45 180.11 1f5o h ILE 19 N 0.52 0.53 -0.98 1.86 2.04 -0.98 0.19 117.51 120.69 1f5o h ILE 19 Ca 0.13 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.13 1f5o h ILE 19 Cb 0.26 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 1f5o h ILE 19 CO -0.00 0.00 0.62 0.03 0.00 0.00 0.00 178.15 178.79 1f5o h ARG 20 N -0.35 0.88 0.26 2.37 3.08 -0.96 0.10 114.38 119.77 1f5o h ARG 20 Ca 0.05 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1f5o h ARG 20 Cb 0.40 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1f5o h ARG 20 CO -0.16 0.58 -0.13 0.77 -1.07 0.00 0.00 179.97 179.96 1f5o h SER 21 N 0.91 -0.30 -0.11 7.04 0.02 -0.69 -1.45 113.55 118.97 1f5o h SER 21 Ca 0.50 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1f5o h SER 21 Cb 0.59 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1f5o h SER 21 CO -0.27 0.04 0.03 0.00 -1.14 0.00 0.00 176.83 175.49 1f5o h ALA 22 N -0.04 1.71 0.02 3.77 0.00 -0.59 -3.13 119.26 120.99 1f5o h ALA 22 Ca -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1f5o h ALA 22 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1f5o h ALA 22 CO 0.06 0.22 -0.01 2.35 0.00 0.00 0.00 179.25 181.88 1f5o h TRP 23 N 0.26 -0.02 -0.72 0.00 2.91 -0.71 -3.35 115.95 114.31 1f5o h TRP 23 Ca 0.06 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.17 1f5o h TRP 23 Cb 0.14 0.01 -0.10 0.00 -0.51 0.00 0.00 29.16 28.69 1f5o h TRP 23 CO 0.00 0.60 -0.36 0.00 -1.03 0.00 0.00 178.44 177.65 1f5o n ALA 24 N -2.43 -0.28 -0.06 2.65 0.00 -0.55 -0.93 120.51 118.90 1f5o n ALA 24 Ca -0.09 0.66 -0.10 0.00 0.00 0.00 0.00 53.44 53.92 1f5o n ALA 24 Cb 0.31 -0.21 -0.03 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 0.31 0.11 0.00 0.11 -1.72 -1.08 132.00 129.74 1f5o h PRO 25 Ca 0.18 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1f5o h PRO 25 Cb 0.36 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1f5o h PRO 25 CO -0.70 0.23 -0.05 0.28 -0.21 0.00 0.00 178.00 177.55 1f5o h VAL 26 N 0.30 0.91 0.00 3.15 2.07 -1.17 -2.74 116.25 118.76 1f5o h VAL 26 Ca 0.08 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1f5o h VAL 26 Cb -0.00 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1f5o h VAL 26 CO -0.02 0.02 -0.19 0.22 0.02 0.00 0.00 177.57 177.62 1f5o h TYR 27 N -0.18 0.00 -0.63 1.57 3.20 -1.02 -2.73 116.97 117.18 1f5o h TYR 27 Ca -0.02 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.00 1f5o h TYR 27 Cb 0.14 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1f5o h TYR 27 CO -0.06 0.19 0.44 1.03 -1.64 0.00 0.00 178.16 178.12 1f5o h SER 28 N 0.00 0.18 -1.18 -2.11 0.87 -0.87 -1.89 113.55 108.54 1f5o h SER 28 Ca -0.00 0.01 -0.45 0.00 -1.23 0.00 0.00 61.79 60.12 1f5o h SER 28 Cb 0.51 -0.03 -0.41 0.00 -0.44 0.00 0.00 62.40 62.04 1f5o h SER 28 CO 0.03 0.09 -1.02 0.35 -0.53 0.00 0.00 176.83 175.75 1f5o n THR 29 N -4.42 1.52 -0.03 2.23 -2.24 -1.05 -4.94 114.28 105.36 1f5o n THR 29 Ca 0.12 -3.76 0.23 0.00 -2.27 0.00 0.00 64.05 58.36 1f5o n THR 29 Cb 0.57 -0.06 0.71 0.00 -2.10 0.00 0.00 70.33 69.45 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 2.83 0.00 0.00 4.78 -0.00 -1.17 -1.31 116.97 122.10 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 1.09 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 -0.15 0.93 -0.00 0.00 0.00 178.16 179.56 1f5o h GLU 31 N 0.00 0.00 0.01 0.10 4.39 -1.89 0.19 114.58 117.38 1f5o h GLU 31 Ca 0.29 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.70 1f5o h GLU 31 Cb 1.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.82 1f5o h GLU 31 CO -0.00 0.15 -1.60 2.41 -1.16 0.00 0.00 179.01 178.81 1f5o n THR 32 N -4.35 1.55 0.14 1.13 -1.04 -0.55 -3.64 114.28 107.53 1f5o n THR 32 Ca -0.03 -0.16 -0.15 0.00 -2.04 0.00 0.00 64.05 61.68 1f5o n THR 32 Cb 0.22 -1.98 -0.07 0.00 -1.82 0.00 0.00 70.33 66.68 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 -0.90 -1.14 -0.71 8.00 0.02 -1.38 -1.37 113.55 116.06 1f5o h SER 33 Ca -0.43 0.12 0.15 0.00 -0.84 0.00 0.00 61.79 60.79 1f5o h SER 33 Cb 1.43 0.42 -0.10 0.00 0.14 0.00 0.00 62.40 64.29 1f5o h SER 33 CO -0.23 -0.49 0.17 1.23 -1.14 0.00 0.00 176.83 176.37 1f5o h GLY 34 N -0.67 0.97 1.12 -3.77 0.00 -0.82 -0.05 103.07 99.85 1f5o h GLY 34 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1f5o h GLY 34 CO -0.19 -0.18 0.03 -2.08 0.00 0.00 0.00 176.54 174.11 1f5o h VAL 35 N 0.27 1.26 -0.19 4.60 2.07 -1.53 -1.19 116.25 121.55 1f5o h VAL 35 Ca 0.40 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1f5o h VAL 35 Cb 0.66 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1f5o h VAL 35 CO -0.49 0.41 0.03 0.44 0.02 0.00 0.00 177.57 177.98 1f5o h ASP 36 N 0.98 0.30 -0.49 0.57 3.32 -0.27 0.14 116.42 120.96 1f5o h ASP 36 Ca 0.18 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 57.01 1f5o h ASP 36 Cb 0.52 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1f5o h ASP 36 CO 0.03 0.49 0.24 0.40 -1.72 0.00 0.00 179.24 178.67 1f5o h ILE 37 N 0.10 0.94 -0.27 0.35 2.04 -0.93 0.17 117.51 119.91 1f5o h ILE 37 Ca 0.06 -0.16 -0.17 0.00 1.00 0.00 0.00 64.86 65.59 1f5o h ILE 37 Cb 0.32 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1f5o h ILE 37 CO 0.00 0.09 -0.49 0.25 0.00 0.00 0.00 178.15 178.00 1f5o h LEU 38 N 0.47 0.90 -0.89 1.44 5.85 -1.13 -1.70 115.31 120.26 1f5o h LEU 38 Ca 0.22 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 1f5o h LEU 38 Cb 0.14 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1f5o h LEU 38 CO -0.16 1.26 0.03 0.58 -0.34 0.00 0.00 178.44 179.81 1f5o h VAL 39 N 0.58 1.24 0.05 1.05 2.07 -0.43 -0.42 116.25 120.39 1f5o h VAL 39 Ca 0.02 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1f5o h VAL 39 Cb 1.09 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1f5o h VAL 39 CO 0.11 0.36 -0.02 0.50 0.02 0.00 0.00 177.57 178.53 1f5o h LYS 40 N 0.80 -0.06 -0.40 1.57 3.64 -0.60 -1.74 116.57 119.78 1f5o h LYS 40 Ca 0.16 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1f5o h LYS 40 Cb 0.44 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1f5o h LYS 40 CO 0.02 0.20 0.19 0.35 -2.27 0.00 0.00 179.45 177.94 1f5o h PHE 41 N -0.32 0.35 -0.12 1.91 3.57 -1.15 -2.26 116.94 118.92 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 0.29 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1f5o h PHE 41 CO 0.01 0.18 0.04 0.35 -2.23 0.00 0.00 178.31 176.66 1f5o h PHE 42 N 0.39 0.18 -0.34 0.41 3.04 -1.04 -2.39 116.94 117.18 1f5o h PHE 42 Ca 0.17 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.01 1f5o h PHE 42 Cb 0.09 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 1f5o h PHE 42 CO -0.11 0.28 -0.19 1.79 -2.02 0.00 0.00 178.31 178.07 1f5o h THR 43 N 0.02 1.26 -0.12 4.41 1.35 -1.27 -3.12 112.91 115.44 1f5o h THR 43 Ca 0.04 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1f5o h THR 43 Cb 0.18 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1f5o h THR 43 CO -0.00 0.41 0.00 -1.54 -0.25 0.00 0.00 175.52 174.13 1f5o n SER 44 N -4.14 1.86 -3.23 5.36 3.41 -0.86 -4.45 113.62 111.57 1f5o n SER 44 Ca 0.00 -1.68 -0.24 0.00 -0.26 0.00 0.00 58.87 56.69 1f5o n SER 44 Cb 0.39 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.45 0.26 -0.33 6.66 -1.04 -0.90 -4.98 114.28 114.41 1f5o n THR 45 Ca 0.17 -4.43 0.22 0.00 -2.04 0.00 0.00 64.05 57.96 1f5o n THR 45 Cb 0.38 -1.78 0.43 0.00 -1.82 0.00 0.00 70.33 67.54 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 0.26 -0.05 -2.82 0.11 -1.78 -1.11 132.00 130.49 1f5o h PRO 46 Ca 0.11 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.22 1f5o h PRO 46 Cb 0.82 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1f5o h PRO 46 CO 0.57 0.17 0.04 0.00 -0.21 0.00 0.00 178.00 178.57 1f5o h ALA 47 N 1.85 1.85 -0.01 -0.75 0.00 -1.93 -1.98 119.26 118.29 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 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1f5o h ALA 47 CO -0.64 -0.06 -0.33 0.00 0.00 0.00 0.00 179.25 178.21 1f5o n ALA 48 N -2.45 3.23 -0.05 0.00 0.00 -0.42 -4.31 120.51 116.50 1f5o n ALA 48 Ca -0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.01 1f5o n ALA 48 Cb 0.14 -1.11 0.28 0.00 0.00 0.00 0.00 19.45 18.76 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 0.97 0.64 0.00 0.00 4.20 -1.41 -2.57 115.11 116.95 1f5o h GLN 49 Ca 0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1f5o h GLN 49 Cb 0.51 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1f5o h GLN 49 CO 0.00 0.59 0.00 -0.85 -0.67 0.00 0.00 178.83 177.90 1f5o n GLU 50 N -4.31 0.07 -0.07 1.46 0.28 -1.26 -1.53 120.64 115.27 1f5o n GLU 50 Ca 0.03 0.53 0.11 0.00 -0.16 0.00 0.00 57.16 57.67 1f5o n GLU 50 Cb 0.20 -1.71 0.38 0.00 1.43 0.00 0.00 31.44 31.74 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 -1.86 0.19 -3.47 -1.84 3.01 -0.97 -4.32 117.46 108.19 1f5o n PHE 51 Ca -0.00 -0.09 -0.28 0.00 1.01 0.00 0.00 57.45 58.08 1f5o n PHE 51 Cb 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.43 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 0.42 3.54 -0.26 1.38 3.01 -0.58 -4.94 117.46 120.04 1f5o n PHE 52 Ca 0.17 -4.09 0.06 0.00 1.01 0.00 0.00 57.45 54.60 1f5o n PHE 52 Cb 0.37 -0.63 0.20 0.00 -0.01 0.00 0.00 39.48 39.41 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 4.47 0.31 0.00 -1.08 0.11 -1.81 0.40 132.00 134.40 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 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1f5o h PRO 53 CO 0.85 0.21 0.00 1.63 -0.21 0.00 0.00 178.00 180.48 1f5o n LYS 54 N -5.11 0.15 -0.17 1.05 5.02 -1.26 -1.74 118.16 116.10 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 0.48 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.16 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 0.43 -1.61 2.13 3.01 0.13 -4.92 117.46 115.47 1f5o n PHE 55 Ca 0.04 -0.29 -0.46 0.00 1.01 0.00 0.00 57.45 57.75 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 1.08 1.45 0.00 -1.08 5.02 -0.71 -1.32 118.16 122.60 1f5o n LYS 56 Ca 0.15 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1f5o n LYS 56 Cb 0.50 -1.99 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 1.66 2.36 3.75 0.72 0.00 -1.26 -5.01 105.19 107.41 1f5o n GLY 57 Ca 0.12 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 4.41 0.30 0.99 2.01 -0.43 -4.88 118.68 121.08 1f5o s LEU 58 Ca 0.00 2.62 0.00 0.00 0.01 0.00 0.00 54.13 56.76 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 -0.59 0.00 0.35 1.01 0.00 0.00 176.35 177.12 1f5o n THR 59 N 1.70 0.00 -1.76 5.49 -2.24 -1.26 -5.03 114.28 111.17 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 0.41 -0.40 0.05 0.00 -2.10 0.00 0.00 70.33 68.30 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 2.05 0.34 4.28 -4.23 -1.26 -4.85 115.64 110.04 1f5o s THR 60 Ca 0.00 0.04 0.36 0.00 -1.18 0.00 0.00 61.69 60.91 1f5o s THR 60 Cb 0.00 -3.02 0.39 0.00 1.34 0.00 0.00 72.50 71.21 1f5o s THR 60 CO 0.00 -0.00 2.13 0.00 -0.54 0.00 0.00 174.62 176.20 1f5o h ALA 61 N 1.01 1.04 -0.12 3.99 0.00 -1.99 -2.65 119.26 120.55 1f5o h ALA 61 Ca -0.51 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 1f5o h ALA 61 Cb 1.32 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1f5o h ALA 61 CO 0.55 0.03 -0.50 0.22 0.00 0.00 0.00 179.25 179.55 1f5o h ASP 62 N 0.00 0.64 -0.31 0.00 -0.00 -2.00 -2.55 116.42 112.20 1f5o h ASP 62 Ca -0.00 -0.63 0.01 0.00 -0.00 0.00 0.00 57.03 56.41 1f5o h ASP 62 Cb 0.32 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 39.44 1f5o h ASP 62 CO 0.00 1.17 0.19 1.56 -0.00 0.00 0.00 179.24 182.16 1f5o h GLN 63 N 0.16 0.38 0.39 0.28 4.20 -1.84 -3.09 115.11 115.60 1f5o h GLN 63 Ca -0.03 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1f5o h GLN 63 Cb 1.14 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 1f5o h GLN 63 CO 0.11 0.25 -0.40 -0.07 -0.67 0.00 0.00 178.83 178.05 1f5o h LEU 64 N 0.39 -1.08 -1.12 1.46 3.38 -1.54 -1.59 115.31 115.21 1f5o h LEU 64 Ca 0.12 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1f5o h LEU 64 Cb -0.02 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1f5o h LEU 64 CO -0.04 -0.55 0.26 0.11 0.09 0.00 0.00 178.44 178.32 1f5o h LYS 65 N -0.81 0.00 0.00 1.13 1.57 -1.40 -0.23 116.57 116.84 1f5o h LYS 65 Ca -0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1f5o h LYS 65 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1f5o h LYS 65 CO -0.07 0.00 -1.96 1.63 -0.57 0.00 0.00 179.45 178.49 1f5o n LYS 66 N -2.20 0.66 -2.16 3.15 5.02 -0.67 -4.92 118.16 117.05 1f5o n LYS 66 Ca -0.01 -0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.75 1f5o n LYS 66 Cb 0.29 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 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 -4.85 6.81 0.39 4.39 0.15 -0.10 -4.91 113.70 115.58 1f5o s SER 67 Ca -0.07 2.37 0.19 0.00 0.70 0.00 0.00 55.95 59.14 1f5o s SER 67 Cb 0.12 -2.59 0.75 0.00 -1.71 0.00 0.00 66.02 62.58 1f5o s SER 67 CO 0.88 -0.64 1.77 0.00 1.20 0.00 0.00 173.24 176.44 1f5o h ALA 68 N 6.48 1.04 -0.39 5.45 0.00 -1.92 -2.55 119.26 127.36 1f5o h ALA 68 Ca -0.43 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 1f5o h ALA 68 Cb 1.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1f5o h ALA 68 CO 0.85 0.43 0.06 -0.44 0.00 0.00 0.00 179.25 180.15 1f5o h ASP 69 N 0.00 0.63 -0.33 0.00 3.45 -1.93 -1.55 116.42 116.68 1f5o h ASP 69 Ca -0.00 -0.27 -0.03 0.00 0.43 0.00 0.00 57.03 57.16 1f5o h ASP 69 Cb 0.84 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 1f5o h ASP 69 CO 0.05 0.74 0.09 0.58 -1.57 0.00 0.00 179.24 179.12 1f5o h VAL 70 N 0.50 1.22 -0.86 -1.35 2.07 -1.79 -2.12 116.25 113.90 1f5o h VAL 70 Ca 0.12 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1f5o h VAL 70 Cb 0.38 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1f5o h VAL 70 CO 0.01 0.24 0.45 0.03 0.02 0.00 0.00 177.57 178.32 1f5o h ARG 71 N 0.38 1.22 -0.18 1.57 3.08 -1.38 -1.09 114.38 117.98 1f5o h ARG 71 Ca 0.11 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1f5o h ARG 71 Cb 0.28 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1f5o h ARG 71 CO -0.00 0.91 -0.03 2.35 -1.07 0.00 0.00 179.97 182.12 1f5o h TRP 72 N 1.22 0.37 -0.86 3.04 -0.00 -1.16 -0.23 115.95 118.33 1f5o h TRP 72 Ca 0.30 -0.08 0.01 0.00 -0.00 0.00 0.00 58.89 59.12 1f5o h TRP 72 Cb 0.06 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.08 1f5o h TRP 72 CO 0.01 0.59 0.57 1.25 -0.00 0.00 0.00 178.44 180.86 1f5o h HIS 73 N 0.05 1.09 -0.40 2.65 2.76 -1.24 -1.40 115.15 118.65 1f5o h HIS 73 Ca 0.05 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.11 1f5o h HIS 73 Cb 0.46 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 1f5o h HIS 73 CO 0.05 0.69 -0.28 0.00 -1.30 0.00 0.00 177.93 177.09 1f5o h ALA 74 N 1.32 0.74 -0.30 5.26 0.00 -1.08 -1.97 119.26 123.24 1f5o h ALA 74 Ca 0.32 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1f5o h ALA 74 Cb -0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1f5o h ALA 74 CO -0.07 0.66 -0.22 0.93 0.00 0.00 0.00 179.25 180.55 1f5o h GLU 75 N 0.73 0.57 -0.06 0.00 5.08 -0.57 -0.89 114.58 119.43 1f5o h GLU 75 Ca 0.09 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1f5o h GLU 75 Cb 0.83 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1f5o h GLU 75 CO 0.07 0.75 -0.06 0.00 -1.00 0.00 0.00 179.01 178.77 1f5o h ARG 76 N 0.50 0.15 0.06 2.33 3.08 -1.17 -2.25 114.38 117.07 1f5o h ARG 76 Ca 0.08 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f5o h ARG 76 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1f5o h ARG 76 CO 0.05 0.60 -0.06 0.82 -1.07 0.00 0.00 179.97 180.31 1f5o h ILE 77 N -0.30 0.86 -0.16 2.04 2.04 -1.28 -1.64 117.51 119.08 1f5o h ILE 77 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1f5o h ILE 77 Cb 0.58 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1f5o h ILE 77 CO 0.02 0.00 0.09 -0.29 0.00 0.00 0.00 178.15 177.97 1f5o h ILE 78 N -0.13 1.05 0.00 -0.67 -0.00 -1.22 -1.45 117.51 115.07 1f5o h ILE 78 Ca 0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 64.86 64.72 1f5o h ILE 78 Cb 0.13 0.82 -0.01 0.00 -0.00 0.00 0.00 36.82 37.77 1f5o h ILE 78 CO -0.02 0.05 -0.19 0.78 -0.00 0.00 0.00 178.15 178.77 1f5o h ASN 79 N 0.22 0.00 -0.15 2.19 2.35 -1.02 -2.58 115.58 116.59 1f5o h ASN 79 Ca 0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1f5o h ASN 79 Cb -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1f5o h ASN 79 CO -0.01 0.19 -0.19 0.00 -1.65 0.00 0.00 177.43 175.77 1f5o h ALA 80 N 1.81 0.23 -0.75 -0.83 0.00 -0.32 -1.03 119.26 118.37 1f5o h ALA 80 Ca -0.00 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1f5o h ALA 80 Cb 1.12 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1f5o h ALA 80 CO 0.02 0.15 0.48 0.28 0.00 0.00 0.00 179.25 180.18 1f5o h VAL 81 N 0.02 1.15 -1.01 0.00 2.07 -1.43 -1.83 116.25 115.22 1f5o h VAL 81 Ca 0.02 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1f5o h VAL 81 Cb 0.74 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1f5o h VAL 81 CO 0.04 0.18 0.66 -1.13 0.02 0.00 0.00 177.57 177.34 1f5o h ASN 82 N 0.96 1.11 -0.76 0.57 -1.24 -1.23 0.49 115.58 115.47 1f5o h ASN 82 Ca 0.29 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 1f5o h ASN 82 Cb -0.04 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 38.71 1f5o h ASN 82 CO -0.09 0.76 0.42 0.44 -1.29 0.00 0.00 177.43 177.68 1f5o h ASP 83 N 1.28 0.95 -0.28 1.15 3.45 -0.41 0.65 116.42 123.22 1f5o h ASP 83 Ca 0.40 -0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.75 1f5o h ASP 83 Cb -0.02 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.50 1f5o h ASP 83 CO -0.12 0.77 0.14 0.00 -1.57 0.00 0.00 179.24 178.47 1f5o h ALA 84 N 1.22 0.36 -0.89 3.45 0.00 -0.47 -2.07 119.26 120.86 1f5o h ALA 84 Ca 0.27 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1f5o h ALA 84 Cb 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1f5o h ALA 84 CO -0.04 -0.09 0.57 0.28 0.00 0.00 0.00 179.25 179.97 1f5o h VAL 85 N 0.33 1.12 0.00 0.00 2.07 -0.40 -0.07 116.25 119.31 1f5o h VAL 85 Ca 0.10 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1f5o h VAL 85 Cb 0.10 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1f5o h VAL 85 CO -0.01 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.78 1f5o n ALA 86 N -2.35 1.73 -0.14 1.67 0.00 0.17 -3.14 120.51 118.45 1f5o n ALA 86 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.54 1f5o n ALA 86 Cb 0.11 -1.27 0.10 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.54 2.61 0.31 0.00 7.64 -0.07 -4.67 113.62 117.90 1f5o n SER 87 Ca 0.04 -2.04 0.16 0.00 1.01 0.00 0.00 58.87 58.04 1f5o n SER 87 Cb 0.19 -0.16 0.83 0.00 -1.01 0.00 0.00 64.21 64.06 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 1.26 0.00 -0.01 1.43 2.86 -1.43 0.34 114.93 119.38 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 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 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 -2.99 0.94 -3.36 1.22 10.43 -1.26 -4.34 116.55 117.19 1f5o n ASP 89 Ca -0.01 -0.74 -0.26 0.00 2.57 0.00 0.00 54.79 56.35 1f5o n ASP 89 Cb 0.39 0.25 -0.09 0.00 1.84 0.00 0.00 41.12 43.52 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 -0.92 0.88 0.32 -2.24 4.64 0.12 -4.95 116.55 114.40 1f5o n ASP 90 Ca 0.09 -2.78 0.20 0.00 -1.38 0.00 0.00 54.79 50.93 1f5o n ASP 90 Cb 0.35 -0.63 1.09 0.00 -1.04 0.00 0.00 41.12 40.89 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 3.22 0.13 -0.12 5.18 1.03 -1.75 -1.45 112.91 119.15 1f5o h THR 91 Ca 0.16 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.36 1f5o h THR 91 Cb 0.84 0.94 0.01 0.00 -1.07 0.00 0.00 68.15 68.87 1f5o h THR 91 CO 0.52 0.00 -0.71 -0.08 -0.01 0.00 0.00 175.52 175.25 1f5o h GLU 92 N 0.00 0.69 -0.35 0.00 4.81 -1.92 -2.38 114.58 115.42 1f5o h GLU 92 Ca 0.01 -0.58 -0.13 0.00 -0.13 0.00 0.00 59.36 58.53 1f5o h GLU 92 Cb 0.14 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1f5o h GLU 92 CO -0.00 1.20 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.98 1f5o h LYS 93 N 0.38 0.81 -0.94 1.92 3.64 -1.64 -2.70 116.57 118.04 1f5o h LYS 93 Ca -0.05 -0.40 0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1f5o h LYS 93 Cb 1.35 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.10 1f5o h LYS 93 CO 0.15 1.03 0.59 1.98 -2.27 0.00 0.00 179.45 180.93 1f5o h MET 94 N 0.60 0.99 0.24 1.90 4.05 -1.39 -2.61 114.93 118.72 1f5o h MET 94 Ca 0.07 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1f5o h MET 94 Cb 0.85 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1f5o h MET 94 CO 0.07 0.66 -0.12 0.77 0.23 0.00 0.00 176.91 178.52 1f5o h SER 95 N 1.02 -0.28 -0.40 1.39 0.02 -1.28 -2.61 113.55 111.41 1f5o h SER 95 Ca 0.43 -0.17 0.08 0.00 -0.84 0.00 0.00 61.79 61.29 1f5o h SER 95 Cb 0.28 0.07 -0.09 0.00 0.14 0.00 0.00 62.40 62.80 1f5o h SER 95 CO -0.21 0.02 -0.22 0.24 -1.14 0.00 0.00 176.83 175.53 1f5o h MET 96 N -0.60 -0.14 -0.67 3.45 2.07 -1.26 0.19 114.93 117.97 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 0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 30.16 1f5o h MET 96 CO 0.06 -0.10 0.44 -0.22 1.07 0.00 0.00 176.91 178.15 1f5o h LYS 97 N -0.15 0.86 -0.24 1.72 3.64 -1.52 -1.96 116.57 118.92 1f5o h LYS 97 Ca 0.19 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 1f5o h LYS 97 Cb 0.45 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1f5o h LYS 97 CO -0.49 0.57 -0.50 -0.07 -2.27 0.00 0.00 179.45 176.68 1f5o h LEU 98 N 0.88 0.85 -0.96 5.20 3.38 -0.96 -2.32 115.31 121.38 1f5o h LEU 98 Ca 0.25 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1f5o h LEU 98 Cb -0.08 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 1f5o h LEU 98 CO -0.07 1.25 0.63 0.03 0.09 0.00 0.00 178.44 180.37 1f5o h ARG 99 N 0.49 1.20 -0.32 1.13 3.08 -0.51 0.53 114.38 119.99 1f5o h ARG 99 Ca 0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1f5o h ARG 99 Cb 1.11 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1f5o h ARG 99 CO 0.11 0.80 0.20 0.22 -1.07 0.00 0.00 179.97 180.23 1f5o h ASP 100 N 1.24 0.35 -0.17 7.04 3.58 -1.28 -1.32 116.42 125.86 1f5o h ASP 100 Ca 0.37 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.78 1f5o h ASP 100 Cb -0.04 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1f5o h ASP 100 CO -0.11 0.25 -0.01 0.25 -2.88 0.00 0.00 179.24 176.74 1f5o h LEU 101 N 0.42 0.39 -0.24 2.28 5.85 -0.61 -2.30 115.31 121.10 1f5o h LEU 101 Ca 0.12 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1f5o h LEU 101 Cb -0.04 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1f5o h LEU 101 CO -0.03 0.47 0.13 -1.28 -0.34 0.00 0.00 178.44 177.38 1f5o h SER 102 N 0.41 0.30 -0.82 1.25 0.87 0.94 -2.35 113.55 114.15 1f5o h SER 102 Ca 0.09 -0.09 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1f5o h SER 102 Cb 0.29 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 1f5o h SER 102 CO 0.01 0.30 0.49 1.23 -0.53 0.00 0.00 176.83 178.34 1f5o h GLY 103 N 0.28 1.24 1.04 5.77 0.00 -0.72 -1.55 103.07 109.14 1f5o h GLY 103 Ca 0.08 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1f5o h GLY 103 CO -0.01 0.21 0.26 0.50 0.00 0.00 0.00 176.54 177.50 1f5o h LYS 104 N 0.88 1.12 -0.56 4.80 1.57 -1.20 0.94 116.57 124.12 1f5o h LYS 104 Ca 0.37 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1f5o h LYS 104 Cb 0.22 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1f5o h LYS 104 CO -0.19 0.93 0.01 0.45 -0.57 0.00 0.00 179.45 180.08 1f5o h HIS 105 N 1.07 1.04 0.14 -1.35 3.86 -0.86 -1.03 115.15 118.01 1f5o h HIS 105 Ca 0.24 -0.16 -0.21 0.00 -1.16 0.00 0.00 60.37 59.08 1f5o h HIS 105 Cb 0.26 -0.28 0.02 0.00 1.06 0.00 0.00 27.41 28.47 1f5o h HIS 105 CO 0.02 0.93 -0.89 0.00 0.86 0.00 0.00 177.93 178.85 1f5o h ALA 106 N 1.11 -0.08 0.00 2.45 0.00 -1.05 0.12 119.26 121.81 1f5o h ALA 106 Ca 0.16 -0.70 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 1f5o h ALA 106 Cb 0.51 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1f5o h ALA 106 CO 0.03 0.43 -1.28 0.87 0.00 0.00 0.00 179.25 179.29 1f5o h LYS 107 N -0.24 0.00 0.00 0.00 1.57 -0.88 -3.37 116.57 113.65 1f5o h LYS 107 Ca -0.15 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1f5o h LYS 107 Cb 1.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.98 1f5o h LYS 107 CO 0.17 0.51 -0.71 0.43 -0.57 0.00 0.00 179.45 179.27 1f5o n SER 108 N -3.07 1.20 0.21 0.86 7.64 -0.48 -4.72 113.62 115.27 1f5o n SER 108 Ca -0.08 0.18 0.09 0.00 1.01 0.00 0.00 58.87 60.06 1f5o n SER 108 Cb 0.90 -0.43 0.44 0.00 -1.01 0.00 0.00 64.21 64.12 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 -0.36 0.00 -6.10 1.43 0.05 -1.41 -3.48 116.94 107.08 1f5o h PHE 109 Ca -0.08 0.00 -0.41 0.00 3.82 0.00 0.00 57.97 61.30 1f5o h PHE 109 Cb 0.61 0.00 0.07 0.00 2.00 0.00 0.00 35.95 38.63 1f5o h PHE 109 CO -0.12 0.27 -0.88 1.04 -0.18 0.00 0.00 178.31 178.45 1f5o n GLN 110 N -3.48 -3.20 -3.77 1.51 6.02 0.36 -4.96 117.38 109.85 1f5o n GLN 110 Ca -0.00 0.57 -0.35 0.00 -0.01 0.00 0.00 57.00 57.21 1f5o n GLN 110 Cb 0.44 -4.85 -0.05 0.00 1.02 0.00 0.00 30.24 26.80 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 -3.60 5.33 0.04 5.09 -7.23 -0.82 -5.03 120.40 114.18 1f5o s VAL 111 Ca 0.21 0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.29 1f5o s VAL 111 Cb -0.06 -3.54 -0.08 0.00 0.56 0.00 0.00 36.38 33.25 1f5o s VAL 111 CO 0.83 0.44 1.83 -0.62 -0.31 0.00 0.00 175.10 177.27 1f5o s ASP 112 N -1.51 6.51 0.16 4.85 -1.08 -1.26 -4.79 116.67 119.54 1f5o s ASP 112 Ca 0.24 2.58 0.13 0.00 -0.52 0.00 0.00 52.55 54.98 1f5o s ASP 112 Cb -0.13 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.44 1f5o s ASP 112 CO 0.13 -1.00 1.40 -0.81 0.52 0.00 0.00 175.17 175.42 1f5o n PRO 113 N 6.83 0.08 0.21 4.34 -0.04 -1.26 -3.30 135.00 141.86 1f5o n PRO 113 Ca 0.18 0.51 0.08 0.00 -0.04 0.00 0.00 63.50 64.24 1f5o n PRO 113 Cb 0.41 -1.72 0.45 0.00 -0.04 0.00 0.00 33.50 32.60 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 -3.24 115.11 113.46 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 0.28 0.00 1.88 0.09 0.00 0.00 178.83 181.08 1f5o h TYR 115 N 0.00 0.00 -0.65 0.06 -1.99 -1.97 -3.34 116.97 109.09 1f5o h TYR 115 Ca -0.00 0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.86 1f5o h TYR 115 Cb 0.72 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.34 1f5o h TYR 115 CO 0.00 0.00 -0.02 0.74 -0.00 0.00 0.00 178.16 178.88 1f5o h PHE 116 N 0.00 -0.09 -0.01 4.88 0.05 -1.80 -0.15 116.94 119.83 1f5o h PHE 116 Ca 0.00 0.05 -0.13 0.00 3.82 0.00 0.00 57.97 61.71 1f5o h PHE 116 Cb 0.73 0.14 -0.02 0.00 2.00 0.00 0.00 35.95 38.80 1f5o h PHE 116 CO 0.00 -0.20 -0.60 1.57 -0.18 0.00 0.00 178.31 178.91 1f5o h LYS 117 N 0.10 0.04 -0.19 1.51 2.10 -1.83 -0.71 116.57 117.58 1f5o h LYS 117 Ca 0.34 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.95 1f5o h LYS 117 Cb 0.55 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1f5o h LYS 117 CO -0.57 0.62 0.08 0.28 -2.00 0.00 0.00 179.45 177.86 1f5o h VAL 118 N 0.03 1.16 -0.38 0.07 2.07 -1.25 -1.31 116.25 116.64 1f5o h VAL 118 Ca -0.01 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 1f5o h VAL 118 Cb 1.06 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1f5o h VAL 118 CO 0.08 0.16 -0.27 0.25 0.02 0.00 0.00 177.57 177.81 1f5o h LEU 119 N 0.16 0.81 -1.35 2.57 5.85 -1.18 -2.82 115.31 119.35 1f5o h LEU 119 Ca 0.06 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.54 1f5o h LEU 119 Cb 0.18 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1f5o h LEU 119 CO -0.01 1.03 0.49 0.00 -0.34 0.00 0.00 178.44 179.62 1f5o h ALA 120 N 1.02 1.69 -0.46 1.25 0.00 -0.87 -1.82 119.26 120.07 1f5o h ALA 120 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1f5o h ALA 120 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1f5o h ALA 120 CO 0.07 0.19 0.17 0.00 0.00 0.00 0.00 179.25 179.68 1f5o h ALA 121 N 1.60 0.60 -0.86 0.00 0.00 -0.99 -0.21 119.26 119.40 1f5o h ALA 121 Ca 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1f5o h ALA 121 Cb 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1f5o h ALA 121 CO -0.11 0.22 0.45 0.28 0.00 0.00 0.00 179.25 180.08 1f5o h VAL 122 N 0.60 1.26 -0.38 0.00 2.07 -1.28 0.42 116.25 118.93 1f5o h VAL 122 Ca 0.15 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1f5o h VAL 122 Cb 0.21 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1f5o h VAL 122 CO -0.01 0.29 -0.07 0.40 0.02 0.00 0.00 177.57 178.20 1f5o h ILE 123 N 1.20 1.24 -0.32 4.57 2.04 -1.01 -2.33 117.51 122.90 1f5o h ILE 123 Ca 0.30 -1.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.01 1f5o h ILE 123 Cb 0.06 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1f5o h ILE 123 CO -0.04 0.35 -0.30 0.00 0.00 0.00 0.00 178.15 178.15 1f5o h ALA 124 N 1.33 0.47 0.03 1.87 0.00 -0.03 -1.85 119.26 121.08 1f5o h ALA 124 Ca 0.11 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1f5o h ALA 124 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1f5o h ALA 124 CO 0.03 0.51 -0.02 -0.44 0.00 0.00 0.00 179.25 179.33 1f5o h ASP 125 N 0.55 -0.04 -0.34 0.00 3.45 -0.81 -0.90 116.42 118.34 1f5o h ASP 125 Ca 0.05 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1f5o h ASP 125 Cb 0.88 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.64 1f5o h ASP 125 CO 0.08 -0.02 0.22 0.74 -1.57 0.00 0.00 179.24 178.69 1f5o h THR 126 N -0.05 1.09 0.09 0.35 2.02 -1.43 -2.86 112.91 112.13 1f5o h THR 126 Ca -0.00 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1f5o h THR 126 Cb 0.04 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1f5o h THR 126 CO 0.01 0.08 -0.04 0.58 0.37 0.00 0.00 175.52 176.52 1f5o h VAL 127 N 0.45 0.86 -0.93 3.16 2.07 -1.29 -3.44 116.25 117.14 1f5o h VAL 127 Ca 0.12 -1.38 -0.33 0.00 0.82 0.00 0.00 66.70 65.93 1f5o h VAL 127 Cb -0.05 1.54 -0.23 0.00 -1.52 0.00 0.00 31.29 31.03 1f5o h VAL 127 CO -0.03 0.26 -0.70 0.00 0.02 0.00 0.00 177.57 177.12 1f5o n ALA 128 N -2.63 -0.07 -1.63 1.67 0.00 -0.38 -4.82 120.51 112.64 1f5o n ALA 128 Ca -0.06 -2.03 -0.49 0.00 0.00 0.00 0.00 53.44 50.86 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 1.92 0.33 0.00 0.00 0.00 -0.98 -1.60 120.51 120.17 1f5o n ALA 129 Ca 0.16 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1f5o n ALA 129 Cb 0.58 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 3.00 2.96 3.67 0.00 0.00 -1.26 -5.01 105.19 108.55 1f5o n GLY 130 Ca 0.18 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 -0.25 6.71 0.17 1.61 2.15 -0.63 -4.88 116.67 121.56 1f5o s ASP 131 Ca 0.00 2.21 -0.06 0.00 0.43 0.00 0.00 52.55 55.13 1f5o s ASP 131 Cb 0.00 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.14 1f5o s ASP 131 CO 0.00 -0.87 1.49 0.00 -0.17 0.00 0.00 175.17 175.62 1f5o h ALA 132 N 8.96 0.65 -0.27 3.66 0.00 -1.95 -2.70 119.26 127.61 1f5o h ALA 132 Ca -0.39 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.09 1f5o h ALA 132 Cb 1.18 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1f5o h ALA 132 CO 0.94 0.68 -0.05 0.78 0.00 0.00 0.00 179.25 181.60 1f5o h GLY 133 N 0.92 0.21 1.64 0.00 0.00 -1.94 0.12 103.07 104.02 1f5o h GLY 133 Ca 0.03 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1f5o h GLY 133 CO 0.10 -0.09 -0.06 -2.75 0.00 0.00 0.00 176.54 173.74 1f5o h PHE 134 N 0.02 0.47 0.00 5.60 3.57 -1.88 -1.52 116.94 123.19 1f5o h PHE 134 Ca 0.13 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1f5o h PHE 134 Cb 0.19 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1f5o h PHE 134 CO -0.26 0.51 -0.36 0.93 -2.23 0.00 0.00 178.31 176.90 1f5o h GLU 135 N 0.43 0.00 -0.35 1.11 5.08 -0.84 -1.53 114.58 118.47 1f5o h GLU 135 Ca 0.09 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1f5o h GLU 135 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1f5o h GLU 135 CO 0.02 0.36 -0.42 -0.22 -1.00 0.00 0.00 179.01 177.75 1f5o h LYS 136 N 0.00 0.91 -0.48 2.33 3.64 0.15 -1.81 116.57 121.32 1f5o h LYS 136 Ca -0.00 -0.50 -0.09 0.00 -1.27 0.00 0.00 60.65 58.78 1f5o h LYS 136 Cb 0.64 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1f5o h LYS 136 CO 0.05 1.15 -0.06 1.25 -2.27 0.00 0.00 179.45 179.57 1f5o h LEU 137 N 0.71 0.81 -1.03 5.20 7.12 -0.87 -2.27 115.31 124.98 1f5o h LEU 137 Ca 0.05 -0.23 -0.10 0.00 0.13 0.00 0.00 57.88 57.73 1f5o h LEU 137 Cb 1.02 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.92 1f5o h LEU 137 CO 0.10 0.91 -0.45 0.24 -0.13 0.00 0.00 178.44 179.12 1f5o h MET 138 N 0.76 0.08 -0.44 1.25 2.86 -1.16 -2.71 114.93 115.57 1f5o h MET 138 Ca 0.14 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1f5o h MET 138 Cb 0.55 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1f5o h MET 138 CO 0.03 0.51 -0.09 0.77 1.06 0.00 0.00 176.91 179.19 1f5o h SER 139 N 0.07 0.84 -0.59 1.22 0.02 -0.87 -0.70 113.55 113.53 1f5o h SER 139 Ca 0.00 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1f5o h SER 139 Cb 0.82 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1f5o h SER 139 CO 0.06 1.00 0.39 0.24 -1.14 0.00 0.00 176.83 177.38 1f5o h MET 140 N 0.66 0.76 -0.56 3.45 2.07 -1.26 0.44 114.93 120.50 1f5o h MET 140 Ca 0.11 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.66 1f5o h MET 140 Cb 0.63 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 30.16 1f5o h MET 140 CO 0.04 0.50 0.21 0.82 1.07 0.00 0.00 176.91 179.55 1f5o h ILE 141 N 0.78 1.23 -0.40 -1.22 2.04 -1.28 -1.86 117.51 116.81 1f5o h ILE 141 Ca 0.22 -0.73 -0.15 0.00 1.00 0.00 0.00 64.86 65.20 1f5o h ILE 141 Cb -0.06 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1f5o h ILE 141 CO -0.06 0.28 -0.35 0.00 0.00 0.00 0.00 178.15 178.02 1f5o h ILE 143 N 0.76 1.25 -0.13 0.00 2.04 -0.81 -2.44 117.51 118.17 1f5o h ILE 143 Ca 0.07 -0.63 -0.18 0.00 1.00 0.00 0.00 64.86 65.12 1f5o h ILE 143 Cb 0.94 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1f5o h ILE 143 CO 0.09 0.28 -0.67 -0.07 0.00 0.00 0.00 178.15 177.78 1f5o h LEU 144 N 1.14 0.59 -1.53 1.44 3.38 -1.23 -2.93 115.31 116.17 1f5o h LEU 144 Ca 0.29 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1f5o h LEU 144 Cb 0.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1f5o h LEU 144 CO -0.04 1.10 0.00 -0.07 0.09 0.00 0.00 178.44 179.51 1f5o h LEU 145 N 0.37 0.00 -1.66 1.67 3.38 -0.71 -1.90 115.31 116.47 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 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1f5o h LEU 145 CO 0.12 0.00 -0.08 0.54 0.09 0.00 0.00 178.44 179.11 1f5o n ARG 146 N -2.65 1.86 0.30 1.13 1.74 -0.95 -4.53 116.66 113.55 1f5o n ARG 146 Ca -0.00 -1.61 0.17 0.00 -0.77 0.00 0.00 57.85 55.64 1f5o n ARG 146 Cb 0.18 -1.41 0.92 0.00 -1.02 0.00 0.00 32.46 31.13 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 3.81 0.00 0.72 0.55 4.64 -1.19 -2.24 113.55 119.83 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 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1f5o h SER 147 CO 0.00 0.04 -0.67 0.00 -0.87 0.00 0.00 176.83 175.34 1f5o n ALA 148 N -2.21 3.12 1.91 5.18 0.00 -1.26 -5.05 120.51 122.19 1f5o n ALA 148 Ca -0.02 -0.29 0.15 0.00 0.00 0.00 0.00 53.44 53.28 1f5o n ALA 148 Cb 0.16 -1.13 0.91 0.00 0.00 0.00 0.00 19.45 19.38 1f5o n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16