#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9f s SER 8 N 3.70 2.39 0.16 0.00 1.04 -1.26 -4.84 113.70 114.89 1x9f s SER 8 Ca 0.24 0.94 -0.10 0.00 0.48 0.00 0.00 55.95 57.51 1x9f s SER 8 Cb -0.15 -1.46 0.02 0.00 0.10 0.00 0.00 66.02 64.53 1x9f s SER 8 CO 0.07 -3.25 1.56 0.22 0.98 0.00 0.00 173.24 172.82 1x9f h TYR 9 N -1.98 1.16 -0.87 5.02 3.20 -1.99 -2.05 116.97 119.46 1x9f h TYR 9 Ca -0.51 -0.27 -0.02 0.00 3.14 0.00 0.00 58.73 61.07 1x9f h TYR 9 Cb 1.32 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 1x9f h TYR 9 CO -0.36 1.10 0.46 0.93 -1.64 0.00 0.00 178.16 178.65 1x9f h GLU 10 N 0.89 1.22 -0.63 1.82 3.07 -1.99 -1.89 114.58 117.07 1x9f h GLU 10 Ca 0.12 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1x9f h GLU 10 Cb 0.76 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 1x9f h GLU 10 CO 0.06 0.90 0.26 -0.44 -1.40 0.00 0.00 179.01 178.39 1x9f h ASP 11 N 1.22 0.86 -0.24 1.42 3.32 -1.86 0.11 116.42 121.25 1x9f h ASP 11 Ca 0.30 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1x9f h ASP 11 Cb 0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1x9f h ASP 11 CO -0.05 0.79 -0.12 0.03 -1.72 0.00 0.00 179.24 178.18 1x9f h ARG 12 N 0.88 0.64 -0.32 3.56 3.08 -1.06 -0.03 114.38 121.13 1x9f h ARG 12 Ca 0.21 -0.20 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 1x9f h ARG 12 Cb 0.20 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1x9f h ARG 12 CO -0.02 0.75 -0.49 -0.09 -1.07 0.00 0.00 179.97 179.05 1x9f h ARG 13 N 0.59 0.89 -0.60 0.04 2.43 -1.00 -2.31 114.38 114.42 1x9f h ARG 13 Ca 0.10 -0.53 0.02 0.00 -0.81 0.00 0.00 59.98 58.77 1x9f h ARG 13 Cb 0.55 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1x9f h ARG 13 CO 0.03 1.17 0.37 0.93 -1.51 0.00 0.00 179.97 180.97 1x9f h GLU 14 N 0.70 0.72 -0.13 0.20 4.39 -0.35 -2.47 114.58 117.63 1x9f h GLU 14 Ca 0.03 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1x9f h GLU 14 Cb 1.09 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1x9f h GLU 14 CO 0.11 0.47 -0.14 0.82 -1.16 0.00 0.00 179.01 179.11 1x9f h ILE 15 N 0.74 1.18 0.27 3.13 2.04 -0.88 -1.53 117.51 122.45 1x9f h ILE 15 Ca 0.24 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1x9f h ILE 15 Cb -0.00 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1x9f h ILE 15 CO -0.09 0.24 -0.13 0.03 0.00 0.00 0.00 178.15 178.21 1x9f h ARG 16 N 0.20 -0.35 -0.29 2.37 3.08 -0.95 0.44 114.38 118.88 1x9f h ARG 16 Ca 0.04 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1x9f h ARG 16 Cb 0.38 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1x9f h ARG 16 CO 0.02 -0.19 0.11 1.25 -1.07 0.00 0.00 179.97 180.10 1x9f h HIS 17 N -0.42 0.20 -0.54 3.04 -0.00 -1.30 -1.58 115.15 114.56 1x9f h HIS 17 Ca -0.04 0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.46 1x9f h HIS 17 Cb 0.32 -0.05 -0.10 0.00 -0.00 0.00 0.00 27.41 27.58 1x9f h HIS 17 CO -0.04 0.10 -0.11 0.82 -0.00 0.00 0.00 177.93 178.70 1x9f h ILE 18 N 0.25 0.48 0.00 6.26 1.08 -1.20 -2.89 117.51 121.48 1x9f h ILE 18 Ca 0.12 -0.01 -0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1x9f h ILE 18 Cb 0.08 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 1x9f h ILE 18 CO -0.11 0.00 -0.27 -0.25 -0.69 0.00 0.00 178.15 176.83 1x9f h TRP 19 N 0.02 0.00 -0.22 1.37 2.91 0.03 -0.91 115.95 119.15 1x9f h TRP 19 Ca 0.26 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.30 1x9f h TRP 19 Cb 0.40 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.04 1x9f h TRP 19 CO -0.43 0.27 0.15 -0.44 -1.03 0.00 0.00 178.44 176.95 1x9f h ASP 20 N 0.00 0.18 0.35 2.65 3.45 -1.14 -2.05 116.42 119.86 1x9f h ASP 20 Ca -0.00 -0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.13 1x9f h ASP 20 Cb 0.59 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1x9f h ASP 20 CO 0.03 0.13 -1.64 0.44 -1.57 0.00 0.00 179.24 176.63 1x9f h ASP 21 N 0.21 0.46 -0.07 6.45 5.19 -1.25 -3.36 116.42 124.06 1x9f h ASP 21 Ca 0.09 -0.68 -0.06 0.00 -0.62 0.00 0.00 57.03 55.76 1x9f h ASP 21 Cb 0.10 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1x9f h ASP 21 CO -0.02 1.57 -0.19 -0.37 -3.12 0.00 0.00 179.24 177.11 1x9f h VAL 22 N 0.08 1.43 -1.87 -1.35 -1.51 -1.55 -3.38 116.25 108.10 1x9f h VAL 22 Ca -0.29 -1.56 -0.77 0.00 -1.23 0.00 0.00 66.70 62.85 1x9f h VAL 22 Cb 2.05 2.28 -0.19 0.00 -2.13 0.00 0.00 31.29 33.29 1x9f h VAL 22 CO 0.16 0.44 1.64 1.87 -1.23 0.00 0.00 177.57 180.45 1x9f n TRP 23 N -4.56 2.66 0.00 5.19 -0.00 -0.77 -4.81 117.44 115.15 1x9f n TRP 23 Ca -0.08 -2.71 0.00 0.00 -0.00 0.00 0.00 57.50 54.71 1x9f n TRP 23 Cb 0.42 -1.69 0.00 0.00 -0.00 0.00 0.00 31.31 30.04 1x9f n TRP 23 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1x9f n SER 24 N 2.72 0.00 0.00 5.87 2.88 -1.26 -4.76 113.62 119.07 1x9f n SER 24 Ca 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1x9f n SER 24 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1x9f n SER 24 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x9f n SER 25 N 0.00 0.00 -1.91 -3.46 3.41 -1.26 -4.76 113.62 105.63 1x9f n SER 25 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1x9f n SER 25 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1x9f n SER 25 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x9f n SER 26 N 0.00 6.49 -4.31 4.04 3.41 -1.26 -4.83 113.62 117.16 1x9f n SER 26 Ca 0.00 -3.08 -0.21 0.00 -0.26 0.00 0.00 58.87 55.33 1x9f n SER 26 Cb 0.00 -1.06 -0.11 0.00 -0.26 0.00 0.00 64.21 62.78 1x9f n SER 26 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1x9f s PHE 27 N -1.83 1.70 -0.56 7.33 0.40 -1.26 -5.07 117.98 118.69 1x9f s PHE 27 Ca 0.32 -0.50 0.24 0.00 -0.60 0.00 0.00 56.93 56.39 1x9f s PHE 27 Cb 0.25 -0.86 0.21 0.00 0.51 0.00 0.00 43.02 43.13 1x9f s PHE 27 CO -0.01 0.28 1.20 0.25 0.70 0.00 0.00 175.22 177.63 1x9f n THR 28 N 0.35 0.35 -0.11 0.64 -2.24 -1.26 -4.51 114.28 107.50 1x9f n THR 28 Ca -0.14 -0.31 -0.07 0.00 -2.27 0.00 0.00 64.05 61.26 1x9f n THR 28 Cb 0.57 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1x9f n THR 28 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1x9f h ASP 29 N 0.00 -0.91 -0.36 3.42 3.32 -1.97 1.94 116.42 121.85 1x9f h ASP 29 Ca 0.00 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1x9f h ASP 29 Cb 0.79 0.44 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1x9f h ASP 29 CO 0.00 -0.29 0.17 -0.09 -1.72 0.00 0.00 179.24 177.31 1x9f h ARG 30 N -0.22 0.51 0.04 3.56 2.43 -1.97 -0.62 114.38 118.13 1x9f h ARG 30 Ca 0.18 -0.07 -0.24 0.00 -0.81 0.00 0.00 59.98 59.03 1x9f h ARG 30 Cb 0.50 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1x9f h ARG 30 CO -0.50 0.46 -1.04 0.07 -1.51 0.00 0.00 179.97 177.44 1x9f h ARG 31 N 0.44 0.39 -0.50 0.20 0.11 -1.61 -1.69 114.38 111.72 1x9f h ARG 31 Ca 0.12 -0.48 0.10 0.00 0.10 0.00 0.00 59.98 59.83 1x9f h ARG 31 Cb 0.11 0.15 -0.10 0.00 1.11 0.00 0.00 29.97 31.25 1x9f h ARG 31 CO -0.02 1.16 -0.13 0.28 0.10 0.00 0.00 179.97 181.36 1x9f h VAL 32 N 0.19 0.48 -0.26 0.08 2.07 0.31 -2.97 116.25 116.16 1x9f h VAL 32 Ca -0.10 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1x9f h VAL 32 Cb 1.71 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1x9f h VAL 32 CO 0.18 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.34 1x9f h ALA 33 N 1.48 0.75 -0.16 1.67 0.00 -0.73 -0.94 119.26 121.33 1x9f h ALA 33 Ca 0.24 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1x9f h ALA 33 Cb 0.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1x9f h ALA 33 CO -0.52 0.66 -0.12 0.82 0.00 0.00 0.00 179.25 180.10 1x9f h ILE 34 N 0.53 1.33 -0.28 0.00 2.04 -1.39 -1.83 117.51 117.91 1x9f h ILE 34 Ca 0.04 -1.22 -0.14 0.00 1.00 0.00 0.00 64.86 64.54 1x9f h ILE 34 Cb 0.96 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 1x9f h ILE 34 CO 0.09 0.36 -0.40 0.58 0.00 0.00 0.00 178.15 178.78 1x9f h VAL 35 N 0.03 1.29 -0.71 1.67 2.07 -1.52 -0.24 116.25 118.85 1x9f h VAL 35 Ca 0.03 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.04 1x9f h VAL 35 Cb 0.62 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1x9f h VAL 35 CO 0.03 0.50 0.42 -0.09 0.02 0.00 0.00 177.57 178.45 1x9f h ARG 36 N 0.54 0.77 -0.33 1.57 2.43 -1.17 -1.04 114.38 117.14 1x9f h ARG 36 Ca 0.05 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1x9f h ARG 36 Cb 0.92 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1x9f h ARG 36 CO 0.08 0.51 -0.26 0.00 -1.51 0.00 0.00 179.97 178.79 1x9f h ALA 37 N 1.34 0.93 -0.42 2.80 0.00 -0.58 -0.33 119.26 123.01 1x9f h ALA 37 Ca 0.30 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1x9f h ALA 37 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1x9f h ALA 37 CO -0.15 0.61 0.26 0.28 0.00 0.00 0.00 179.25 180.25 1x9f h VAL 38 N 0.58 1.07 -0.29 0.00 2.07 -0.56 -1.65 116.25 117.46 1x9f h VAL 38 Ca 0.08 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.24 1x9f h VAL 38 Cb 0.74 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1x9f h VAL 38 CO 0.06 0.10 -0.53 -0.26 0.02 0.00 0.00 177.57 176.95 1x9f h PHE 39 N 0.52 1.08 -0.79 1.57 0.04 -0.98 -0.40 116.94 117.98 1x9f h PHE 39 Ca 0.16 -0.38 0.11 0.00 2.80 0.00 0.00 57.97 60.66 1x9f h PHE 39 Cb -0.02 -0.21 -0.08 0.00 2.20 0.00 0.00 35.95 37.84 1x9f h PHE 39 CO -0.06 1.20 0.42 -0.44 -0.60 0.00 0.00 178.31 178.83 1x9f h ASP 40 N 0.67 0.56 -0.04 2.17 3.32 -0.98 0.50 116.42 122.62 1x9f h ASP 40 Ca 0.02 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1x9f h ASP 40 Cb 1.13 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1x9f h ASP 40 CO 0.12 0.30 0.02 -0.78 -1.72 0.00 0.00 179.24 177.18 1x9f h ASP 41 N 0.68 0.06 -0.44 6.45 1.82 -0.97 -0.49 116.42 123.53 1x9f h ASP 41 Ca 0.40 -0.13 0.07 0.00 -0.39 0.00 0.00 57.03 56.98 1x9f h ASP 41 Cb 0.43 -0.02 -0.06 0.00 0.68 0.00 0.00 39.33 40.37 1x9f h ASP 41 CO -0.28 0.17 0.08 0.25 -1.61 0.00 0.00 179.24 177.85 1x9f h LEU 42 N -0.06 -0.01 -1.32 2.28 5.85 -0.16 -1.63 115.31 120.27 1x9f h LEU 42 Ca 0.02 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1x9f h LEU 42 Cb 0.13 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1x9f h LEU 42 CO -0.00 0.03 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.58 1x9f h PHE 43 N 0.21 0.09 -0.10 1.25 0.04 0.14 0.31 116.94 118.89 1x9f h PHE 43 Ca 0.21 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.83 1x9f h PHE 43 Cb 0.27 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1x9f h PHE 43 CO -0.21 0.37 -0.56 -0.22 -0.60 0.00 0.00 178.31 177.09 1x9f h LYS 44 N 0.08 0.29 0.00 1.51 3.64 -0.39 -2.80 116.57 118.89 1x9f h LYS 44 Ca 0.01 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 1x9f h LYS 44 Cb 0.55 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1x9f h LYS 44 CO 0.04 0.77 -1.75 0.72 -2.27 0.00 0.00 179.45 176.95 1x9f n HIS 45 N -3.92 0.31 -3.20 1.91 8.25 -0.68 -4.60 115.22 113.29 1x9f n HIS 45 Ca -0.02 0.09 -0.24 0.00 -0.26 0.00 0.00 57.72 57.29 1x9f n HIS 45 Cb 0.59 -0.71 -0.07 0.00 1.12 0.00 0.00 29.99 30.92 1x9f n HIS 45 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1x9f n TYR 46 N -2.46 -0.35 -0.12 4.41 4.02 0.11 -5.01 117.16 117.76 1x9f n TYR 46 Ca -0.06 -3.55 0.14 0.00 -0.01 0.00 0.00 57.90 54.41 1x9f n TYR 46 Cb 0.64 -0.32 0.51 0.00 -0.02 0.00 0.00 39.34 40.15 1x9f n TYR 46 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1x9f h PRO 47 N 4.08 0.39 0.00 -0.72 0.13 -1.68 -1.24 132.00 132.96 1x9f h PRO 47 Ca 0.08 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1x9f h PRO 47 Cb 0.88 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1x9f h PRO 47 CO 0.46 0.26 0.00 1.79 -0.23 0.00 0.00 178.00 180.28 1x9f h THR 48 N 0.40 0.00 0.00 1.56 1.35 -1.94 -1.80 112.91 112.48 1x9f h THR 48 Ca 0.32 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 66.00 1x9f h THR 48 Cb 0.69 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1x9f h THR 48 CO -0.09 0.00 -0.06 0.77 -0.25 0.00 0.00 175.52 175.89 1x9f h SER 49 N 0.00 0.00 0.25 5.36 4.64 -1.58 -3.15 113.55 119.07 1x9f h SER 49 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1x9f h SER 49 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1x9f h SER 49 CO 0.00 0.06 -0.26 0.50 -0.87 0.00 0.00 176.83 176.26 1x9f h LYS 50 N 0.00 0.02 0.00 4.77 3.64 -1.49 -2.36 116.57 121.15 1x9f h LYS 50 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1x9f h LYS 50 Cb 0.51 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1x9f h LYS 50 CO 0.01 0.28 0.00 0.00 -2.27 0.00 0.00 179.45 177.47 1x9f h ALA 51 N 1.72 1.00 0.00 5.00 0.00 -1.74 -2.84 119.26 122.40 1x9f h ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x9f h ALA 51 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x9f h ALA 51 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1x9f n LEU 52 N -2.32 0.00 -0.70 0.00 4.77 -0.89 -4.01 117.00 113.85 1x9f n LEU 52 Ca 0.00 0.43 0.06 0.00 -0.03 0.00 0.00 56.01 56.47 1x9f n LEU 52 Cb 0.13 -0.43 0.21 0.00 -2.33 0.00 0.00 43.42 40.99 1x9f n LEU 52 CO 0.15 -0.04 0.63 0.49 -1.33 0.00 0.00 177.39 177.29 1x9f n PHE 53 N -1.43 0.62 0.07 -1.77 3.01 -1.07 -4.67 117.46 112.22 1x9f n PHE 53 Ca 0.09 -1.16 -0.05 0.00 1.01 0.00 0.00 57.45 57.34 1x9f n PHE 53 Cb 0.28 -0.31 0.13 0.00 -0.01 0.00 0.00 39.48 39.58 1x9f n PHE 53 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1x9f h GLU 54 N 1.02 0.30 -0.15 -1.08 5.08 -1.78 -2.54 114.58 115.43 1x9f h GLU 54 Ca 0.06 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1x9f h GLU 54 Cb 1.33 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1x9f h GLU 54 CO 0.18 0.77 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.69 1x9f h ARG 55 N 0.24 0.25 -0.62 2.33 1.12 -1.91 -1.52 114.38 114.26 1x9f h ARG 55 Ca 0.00 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 1x9f h ARG 55 Cb 1.03 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.96 1x9f h ARG 55 CO 0.09 0.43 0.00 1.33 -3.11 0.00 0.00 179.97 178.70 1x9f n VAL 56 N -4.23 1.22 -3.11 0.20 0.24 -1.14 -4.99 118.33 106.52 1x9f n VAL 56 Ca -0.01 -0.90 -0.13 0.00 -2.04 0.00 0.00 64.34 61.26 1x9f n VAL 56 Cb 0.31 0.18 0.07 0.00 -1.47 0.00 0.00 33.84 32.93 1x9f n VAL 56 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1x9f n LYS 57 N 1.02 -5.14 -0.19 7.34 5.02 -0.57 -2.48 118.16 123.17 1x9f n LYS 57 Ca 0.21 0.66 0.27 0.00 -2.02 0.00 0.00 58.31 57.43 1x9f n LYS 57 Cb 0.66 -5.12 0.70 0.00 -0.02 0.00 0.00 35.03 31.25 1x9f n LYS 57 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1x9f h ILE 58 N -1.47 0.57 -0.01 -0.18 3.07 -1.68 -0.24 117.51 117.56 1x9f h ILE 58 Ca -0.46 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1x9f h ILE 58 Cb 1.26 0.51 -0.00 0.00 -0.27 0.00 0.00 36.82 38.33 1x9f h ILE 58 CO 0.39 0.01 0.01 -2.24 -1.05 0.00 0.00 178.15 175.27 1x9f h ASP 59 N 0.05 0.00 -3.08 2.16 2.03 -1.89 -3.08 116.42 112.61 1x9f h ASP 59 Ca 0.43 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 56.11 1x9f h ASP 59 Cb 1.64 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 39.73 1x9f h ASP 59 CO -0.03 0.00 -0.65 -1.61 -1.03 0.00 0.00 179.24 175.92 1x9f s GLU 60 N -4.81 2.13 0.00 4.15 2.02 -0.10 -4.98 118.70 117.11 1x9f s GLU 60 Ca -0.05 -3.05 0.10 0.00 0.02 0.00 0.00 54.97 52.00 1x9f s GLU 60 Cb 0.16 -3.04 0.46 0.00 0.10 0.00 0.00 34.13 31.80 1x9f s GLU 60 CO 0.60 -1.29 1.30 -0.35 0.02 0.00 0.00 175.26 175.54 1x9f n PRO 61 N 2.25 0.04 -0.39 0.39 -0.04 -1.17 -1.08 135.00 135.01 1x9f n PRO 61 Ca 0.20 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 64.03 1x9f n PRO 61 Cb 0.37 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.57 1x9f n PRO 61 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x9f n GLU 62 N -1.44 3.00 0.25 0.54 -0.58 -1.26 -4.58 120.64 116.57 1x9f n GLU 62 Ca 0.03 -2.64 0.16 0.00 -0.42 0.00 0.00 57.16 54.29 1x9f n GLU 62 Cb 0.11 -1.70 0.58 0.00 -0.57 0.00 0.00 31.44 29.86 1x9f n GLU 62 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1x9f h SER 63 N 1.99 0.00 0.00 1.62 4.64 -1.43 -3.47 113.55 116.90 1x9f h SER 63 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x9f h SER 63 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1x9f h SER 63 CO 0.17 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1x9f n GLY 64 N 0.22 2.56 0.30 -0.77 0.00 -1.26 -4.67 105.19 101.56 1x9f n GLY 64 Ca 0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 1x9f n GLY 64 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x9f h GLU 65 N 0.00 1.02 0.08 1.61 9.09 -1.92 0.18 114.58 124.64 1x9f h GLU 65 Ca 0.00 -0.11 -0.27 0.00 0.05 0.00 0.00 59.36 59.02 1x9f h GLU 65 Cb 0.00 -0.20 0.02 0.00 -1.65 0.00 0.00 28.75 26.91 1x9f h GLU 65 CO 0.00 0.75 -1.15 0.35 0.05 0.00 0.00 179.01 179.01 1x9f h PHE 66 N 1.02 0.84 -0.70 2.06 3.57 -1.75 -1.74 116.94 120.23 1x9f h PHE 66 Ca 0.26 -0.51 -0.07 0.00 3.53 0.00 0.00 57.97 61.18 1x9f h PHE 66 Cb 0.02 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1x9f h PHE 66 CO -0.00 1.36 0.18 0.87 -2.23 0.00 0.00 178.31 178.48 1x9f h LYS 67 N 0.25 1.11 -0.22 1.11 1.57 -1.80 -0.55 116.57 118.05 1x9f h LYS 67 Ca -0.15 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 1x9f h LYS 67 Cb 1.82 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1x9f h LYS 67 CO 0.21 0.98 -0.32 0.66 -0.57 0.00 0.00 179.45 180.41 1x9f h SER 68 N 1.06 0.46 -0.63 0.86 4.64 -0.62 -1.23 113.55 118.09 1x9f h SER 68 Ca 0.22 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1x9f h SER 68 Cb 0.36 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1x9f h SER 68 CO 0.00 0.76 0.38 -0.74 -0.87 0.00 0.00 176.83 176.36 1x9f h HIS 69 N 0.39 0.83 -0.75 4.77 -0.00 -0.83 -0.23 115.15 119.33 1x9f h HIS 69 Ca 0.05 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.40 1x9f h HIS 69 Cb 0.75 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.86 1x9f h HIS 69 CO 0.02 0.56 0.39 -0.07 -0.00 0.00 0.00 177.93 178.83 1x9f h LEU 70 N 0.85 0.94 -0.47 0.26 3.38 -0.66 -2.04 115.31 117.58 1x9f h LEU 70 Ca 0.23 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1x9f h LEU 70 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1x9f h LEU 70 CO -0.04 0.78 -0.28 0.58 0.09 0.00 0.00 178.44 179.56 1x9f h VAL 71 N 1.05 1.27 -0.96 1.22 2.07 -0.83 -0.67 116.25 119.40 1x9f h VAL 71 Ca 0.26 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.38 1x9f h VAL 71 Cb 0.06 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1x9f h VAL 71 CO -0.04 0.49 0.62 0.03 0.02 0.00 0.00 177.57 178.70 1x9f h ARG 72 N 0.81 1.14 0.02 1.57 3.08 -0.66 0.52 114.38 120.86 1x9f h ARG 72 Ca 0.09 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1x9f h ARG 72 Cb 0.87 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1x9f h ARG 72 CO 0.08 0.75 -0.01 0.28 -1.07 0.00 0.00 179.97 180.00 1x9f h VAL 73 N 1.18 1.17 -0.19 2.04 2.07 -1.25 0.25 116.25 121.51 1x9f h VAL 73 Ca 0.40 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1x9f h VAL 73 Cb 0.07 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 1x9f h VAL 73 CO -0.14 0.14 -0.34 0.00 0.02 0.00 0.00 177.57 177.25 1x9f h ALA 74 N 0.71 -0.38 0.00 1.67 0.00 -0.36 -0.58 119.26 120.33 1x9f h ALA 74 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1x9f h ALA 74 Cb 0.25 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1x9f h ALA 74 CO 0.00 -0.81 -0.27 -0.91 0.00 0.00 0.00 179.25 177.26 1x9f h ASN 75 N -0.38 0.00 -0.59 0.00 4.21 0.05 0.11 115.58 118.97 1x9f h ASN 75 Ca 0.11 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.60 1x9f h ASN 75 Cb 0.56 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.73 1x9f h ASN 75 CO -0.40 0.27 0.29 1.23 -1.29 0.00 0.00 177.43 177.53 1x9f h GLY 76 N 1.03 0.91 1.07 2.83 0.00 0.15 0.13 103.07 109.19 1x9f h GLY 76 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1x9f h GLY 76 CO 0.04 0.42 -0.28 -2.00 0.00 0.00 0.00 176.54 174.72 1x9f h LEU 77 N 0.81 0.94 -0.80 3.11 5.85 -0.38 -1.35 115.31 123.49 1x9f h LEU 77 Ca 0.20 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1x9f h LEU 77 Cb 0.11 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 1x9f h LEU 77 CO -0.03 1.17 0.50 0.50 -0.34 0.00 0.00 178.44 180.24 1x9f h LYS 78 N 0.72 0.90 -0.22 1.25 1.63 -0.83 -0.67 116.57 119.35 1x9f h LYS 78 Ca 0.08 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1x9f h LYS 78 Cb 0.85 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1x9f h LYS 78 CO 0.07 0.60 0.14 1.25 -3.45 0.00 0.00 179.45 178.06 1x9f h LEU 79 N 0.93 0.24 -0.19 5.20 6.46 -0.36 -1.14 115.31 126.45 1x9f h LEU 79 Ca 0.34 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.11 1x9f h LEU 79 Cb 0.12 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1x9f h LEU 79 CO -0.15 0.17 0.08 -0.07 -0.62 0.00 0.00 178.44 177.85 1x9f h LEU 80 N 0.29 0.11 -0.44 2.25 3.38 -0.64 -2.47 115.31 117.79 1x9f h LEU 80 Ca 0.08 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1x9f h LEU 80 Cb -0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1x9f h LEU 80 CO -0.03 0.09 0.24 0.40 0.09 0.00 0.00 178.44 179.24 1x9f h ILE 81 N 0.18 1.01 0.00 1.22 1.08 -1.03 -1.51 117.51 118.47 1x9f h ILE 81 Ca 0.08 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1x9f h ILE 81 Cb 0.03 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 1x9f h ILE 81 CO -0.07 0.09 0.00 0.59 -0.69 0.00 0.00 178.15 178.07 1x9f n ASN 82 N -4.87 0.00 -0.14 1.72 3.02 -0.44 -1.74 115.26 112.80 1x9f n ASN 82 Ca 0.02 -1.15 0.04 0.00 -0.03 0.00 0.00 54.58 53.46 1x9f n ASN 82 Cb 0.08 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 1x9f n ASN 82 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x9f n LEU 83 N -0.68 0.92 0.08 3.41 4.32 -0.59 -4.63 117.00 119.83 1x9f n LEU 83 Ca 0.06 -0.71 0.05 0.00 -0.02 0.00 0.00 56.01 55.38 1x9f n LEU 83 Cb 0.03 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.07 1x9f n LEU 83 CO 0.05 0.19 0.66 0.18 -1.22 0.00 0.00 177.39 177.25 1x9f n LEU 84 N -0.47 0.23 -0.36 2.23 4.77 -0.71 -0.27 117.00 122.43 1x9f n LEU 84 Ca 0.03 0.54 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 1x9f n LEU 84 Cb 0.15 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1x9f n LEU 84 CO 0.11 -0.62 0.45 -0.67 -1.33 0.00 0.00 177.39 175.33 1x9f n ASP 85 N -1.79 1.99 -3.30 -1.43 4.64 -1.26 -4.68 116.55 110.72 1x9f n ASP 85 Ca -0.01 -1.56 -0.25 0.00 -1.38 0.00 0.00 54.79 51.59 1x9f n ASP 85 Cb 0.13 -0.06 -0.07 0.00 -1.04 0.00 0.00 41.12 40.08 1x9f n ASP 85 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1x9f n ASP 86 N 0.35 2.15 0.08 1.67 9.92 0.63 -5.00 116.55 126.36 1x9f n ASP 86 Ca 0.06 -3.11 0.06 0.00 -0.53 0.00 0.00 54.79 51.26 1x9f n ASP 86 Cb 0.26 -0.65 0.50 0.00 -0.64 0.00 0.00 41.12 40.59 1x9f n ASP 86 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1x9f h THR 87 N 2.60 1.05 -0.17 -3.53 1.35 -1.84 0.13 112.91 112.51 1x9f h THR 87 Ca 0.14 -0.12 -0.17 0.00 -0.55 0.00 0.00 66.41 65.71 1x9f h THR 87 Cb 0.76 0.67 0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1x9f h THR 87 CO 0.66 0.06 -0.56 -0.07 -0.25 0.00 0.00 175.52 175.37 1x9f h LEU 88 N 0.36 0.78 -0.24 3.87 3.38 -1.94 0.71 115.31 122.22 1x9f h LEU 88 Ca 0.11 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1x9f h LEU 88 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1x9f h LEU 88 CO -0.02 1.24 0.14 0.58 0.09 0.00 0.00 178.44 180.47 1x9f h VAL 89 N 0.35 1.10 -0.34 1.22 2.07 -1.72 -2.11 116.25 116.82 1x9f h VAL 89 Ca -0.02 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.34 1x9f h VAL 89 Cb 1.18 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 1x9f h VAL 89 CO 0.12 0.09 -0.22 0.25 0.02 0.00 0.00 177.57 177.84 1x9f h LEU 90 N 0.30 -0.71 -0.32 2.57 5.85 -0.70 0.91 115.31 123.20 1x9f h LEU 90 Ca 0.09 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1x9f h LEU 90 Cb 0.02 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1x9f h LEU 90 CO -0.02 -0.25 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.23 1x9f h GLN 91 N -0.17 0.09 0.50 1.25 4.15 -0.66 0.31 115.11 120.58 1x9f h GLN 91 Ca 0.17 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1x9f h GLN 91 Cb 0.44 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1x9f h GLN 91 CO -0.44 0.06 -0.24 1.03 -1.93 0.00 0.00 178.83 177.31 1x9f h SER 92 N 0.09 -0.57 -0.76 -0.69 0.87 -0.93 -3.04 113.55 108.53 1x9f h SER 92 Ca 0.16 -0.01 0.11 0.00 -1.23 0.00 0.00 61.79 60.82 1x9f h SER 92 Cb 0.21 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.27 1x9f h SER 92 CO -0.26 -0.37 0.50 -0.74 -0.53 0.00 0.00 176.83 175.43 1x9f h HIS 93 N -0.73 0.67 -0.80 2.24 -0.00 -0.55 -1.98 115.15 113.99 1x9f h HIS 93 Ca -0.07 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1x9f h HIS 93 Cb 0.55 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.69 1x9f h HIS 93 CO -0.03 0.30 0.52 1.25 -0.00 0.00 0.00 177.93 179.97 1x9f h LEU 94 N 0.61 0.83 -0.51 0.26 5.85 -0.82 -0.91 115.31 120.62 1x9f h LEU 94 Ca 0.36 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.93 1x9f h LEU 94 Cb 0.56 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1x9f h LEU 94 CO -0.13 0.56 -0.27 1.23 -0.34 0.00 0.00 178.44 179.49 1x9f h GLY 95 N 0.96 1.00 0.74 3.75 0.00 -1.34 -0.70 103.07 107.48 1x9f h GLY 95 Ca 0.32 -0.92 0.03 0.00 0.00 0.00 0.00 47.33 46.76 1x9f h GLY 95 CO -0.10 0.84 0.03 0.84 0.00 0.00 0.00 176.54 178.15 1x9f h HIS 96 N 0.78 0.05 -0.61 5.60 -0.00 -1.19 0.14 115.15 119.93 1x9f h HIS 96 Ca 0.09 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1x9f h HIS 96 Cb 0.84 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.23 1x9f h HIS 96 CO 0.05 0.01 0.25 1.25 -0.00 0.00 0.00 177.93 179.49 1x9f h LEU 97 N 0.11 0.81 -0.05 0.26 5.85 -1.07 -2.00 115.31 119.22 1x9f h LEU 97 Ca 0.10 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1x9f h LEU 97 Cb 0.10 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1x9f h LEU 97 CO -0.14 0.72 -0.05 0.00 -0.34 0.00 0.00 178.44 178.63 1x9f h ALA 98 N 1.40 -0.00 -0.76 1.25 0.00 -0.64 -2.95 119.26 117.55 1x9f h ALA 98 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1x9f h ALA 98 Cb 0.16 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1x9f h ALA 98 CO -0.02 -0.53 0.43 -0.44 0.00 0.00 0.00 179.25 178.70 1x9f h ASP 99 N -0.06 0.93 -0.51 0.00 3.45 -0.49 -0.56 116.42 119.19 1x9f h ASP 99 Ca 0.04 -0.07 0.02 0.00 0.43 0.00 0.00 57.03 57.45 1x9f h ASP 99 Cb 0.11 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.62 1x9f h ASP 99 CO -0.09 0.74 0.34 1.56 -1.57 0.00 0.00 179.24 180.22 1x9f h GLN 100 N 1.06 0.63 0.00 3.56 4.20 -1.29 -2.35 115.11 120.92 1x9f h GLN 100 Ca 0.27 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.73 1x9f h GLN 100 Cb -0.00 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1x9f h GLN 100 CO -0.05 0.42 -1.31 0.45 -0.67 0.00 0.00 178.83 177.67 1x9f h HIS 101 N 0.65 0.00 0.00 2.96 3.86 -1.12 -3.28 115.15 118.22 1x9f h HIS 101 Ca 0.20 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.33 1x9f h HIS 101 Cb -0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1x9f h HIS 101 CO -0.00 0.80 -0.37 0.82 0.86 0.00 0.00 177.93 180.04 1x9f h ILE 102 N 0.00 1.22 0.00 2.45 2.04 -0.99 -2.43 117.51 119.79 1x9f h ILE 102 Ca -0.15 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.40 1x9f h ILE 102 Cb 1.75 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1x9f h ILE 102 CO 0.08 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.59 1x9f n GLN 103 N -4.02 0.64 -3.37 2.37 6.02 -0.90 -4.22 117.38 113.90 1x9f n GLN 103 Ca -0.02 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.52 1x9f n GLN 103 Cb 0.42 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.13 1x9f n GLN 103 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1x9f s ARG 104 N -2.36 3.03 0.36 -1.09 1.81 -0.92 -5.06 118.95 114.73 1x9f s ARG 104 Ca 0.35 -1.92 -0.28 0.00 -1.72 0.00 0.00 55.73 52.16 1x9f s ARG 104 Cb 0.21 -4.25 -0.11 0.00 -0.45 0.00 0.00 34.95 30.35 1x9f s ARG 104 CO 0.42 -1.29 1.44 0.21 -0.68 0.00 0.00 175.30 175.40 1x9f s LYS 105 N 1.17 4.18 0.00 3.54 2.20 -1.26 -2.84 119.74 126.73 1x9f s LYS 105 Ca 0.07 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 1x9f s LYS 105 Cb -0.24 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1x9f s LYS 105 CO -0.01 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 1x9f n GLY 106 N 0.66 2.86 3.69 5.54 0.00 -1.26 -5.06 105.19 111.61 1x9f n GLY 106 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1x9f n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x9f s VAL 107 N -2.60 4.45 0.38 1.61 1.01 -1.13 -5.03 120.40 119.09 1x9f s VAL 107 Ca 0.00 1.75 0.08 0.00 0.00 0.00 0.00 61.98 63.81 1x9f s VAL 107 Cb 0.00 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 1x9f s VAL 107 CO 0.00 0.01 -0.03 0.42 0.00 0.00 0.00 175.10 175.50 1x9f s THR 108 N 2.08 2.14 0.21 3.92 -4.23 -1.26 -4.61 115.64 113.89 1x9f s THR 108 Ca 0.53 -2.08 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 1x9f s THR 108 Cb -0.22 -2.84 0.16 0.00 1.34 0.00 0.00 72.50 70.94 1x9f s THR 108 CO 0.21 -0.09 1.82 0.11 -0.54 0.00 0.00 174.62 176.12 1x9f h LYS 109 N 1.87 1.13 -0.85 3.99 1.57 -1.86 -2.52 116.57 119.90 1x9f h LYS 109 Ca -0.43 -0.15 0.11 0.00 -1.87 0.00 0.00 60.65 58.30 1x9f h LYS 109 Cb 1.25 -0.21 -0.08 0.00 0.08 0.00 0.00 32.23 33.27 1x9f h LYS 109 CO 0.75 0.86 0.49 1.49 -0.57 0.00 0.00 179.45 182.47 1x9f h GLU 110 N 1.12 0.77 -0.25 3.15 4.81 -1.98 0.16 114.58 122.36 1x9f h GLU 110 Ca 0.28 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1x9f h GLU 110 Cb 0.08 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1x9f h GLU 110 CO -0.04 0.51 -0.26 1.88 -0.73 0.00 0.00 179.01 180.37 1x9f h TYR 111 N 0.79 0.55 0.00 0.92 0.05 -1.86 -0.74 116.97 116.67 1x9f h TYR 111 Ca 0.42 -0.12 -0.11 0.00 0.05 0.00 0.00 58.73 58.97 1x9f h TYR 111 Cb 0.43 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1x9f h TYR 111 CO -0.06 0.70 -0.53 0.74 -1.05 0.00 0.00 178.16 177.96 1x9f h PHE 112 N 0.43 0.00 -0.38 4.88 -1.00 -0.87 -0.89 116.94 119.11 1x9f h PHE 112 Ca 0.06 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 1x9f h PHE 112 Cb 0.68 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 1x9f h PHE 112 CO 0.02 0.53 0.17 -0.09 -1.61 0.00 0.00 178.31 177.34 1x9f h ARG 113 N 0.00 0.55 -0.67 1.51 2.43 -0.20 -2.67 114.38 115.33 1x9f h ARG 113 Ca -0.01 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1x9f h ARG 113 Cb 0.96 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 1x9f h ARG 113 CO 0.07 0.51 0.41 0.78 -1.51 0.00 0.00 179.97 180.23 1x9f h GLY 114 N 0.47 0.97 1.65 2.80 0.00 -0.67 -1.57 103.07 106.72 1x9f h GLY 114 Ca 0.13 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1x9f h GLY 114 CO -0.01 0.38 -0.18 1.19 0.00 0.00 0.00 176.54 177.92 1x9f h ILE 115 N 0.91 1.23 -0.12 2.60 6.09 -1.20 0.34 117.51 127.37 1x9f h ILE 115 Ca 0.24 -1.07 -0.00 0.00 -1.37 0.00 0.00 64.86 62.66 1x9f h ILE 115 Cb -0.04 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.49 1x9f h ILE 115 CO -0.05 0.34 0.07 1.23 -3.07 0.00 0.00 178.15 176.68 1x9f h GLY 116 N 0.94 0.18 1.50 8.18 0.00 -1.08 -0.53 103.07 112.26 1x9f h GLY 116 Ca 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1x9f h GLY 116 CO 0.03 0.07 0.10 0.83 0.00 0.00 0.00 176.54 177.58 1x9f h GLU 117 N 0.12 0.64 -0.29 4.80 5.08 -0.90 -1.94 114.58 122.10 1x9f h GLU 117 Ca 0.04 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1x9f h GLU 117 Cb 0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1x9f h GLU 117 CO -0.01 0.58 -0.04 0.00 -1.00 0.00 0.00 179.01 178.55 1x9f h ALA 118 N 1.50 0.39 -0.66 3.43 0.00 -0.60 -1.75 119.26 121.57 1x9f h ALA 118 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1x9f h ALA 118 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1x9f h ALA 118 CO -0.00 0.17 0.32 0.74 0.00 0.00 0.00 179.25 180.48 1x9f h PHE 119 N 0.30 0.96 0.00 0.00 -1.00 -0.91 0.86 116.94 117.15 1x9f h PHE 119 Ca 0.08 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.78 1x9f h PHE 119 Cb 0.49 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 39.75 1x9f h PHE 119 CO 0.04 0.72 -0.13 0.00 -1.61 0.00 0.00 178.31 177.33 1x9f h ALA 120 N 1.15 1.74 0.18 2.45 0.00 -1.23 0.55 119.26 124.10 1x9f h ALA 120 Ca 0.23 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.67 1x9f h ALA 120 Cb 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1x9f h ALA 120 CO -0.03 0.16 -1.74 -0.09 0.00 0.00 0.00 179.25 177.55 1x9f h ARG 121 N 0.00 0.39 0.00 0.00 2.43 -0.94 -3.40 114.38 112.86 1x9f h ARG 121 Ca -0.00 -0.67 -0.00 0.00 -0.81 0.00 0.00 59.98 58.50 1x9f h ARG 121 Cb 0.23 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1x9f h ARG 121 CO 0.02 1.31 -0.00 0.28 -1.51 0.00 0.00 179.97 180.07 1x9f h VAL 122 N 0.11 1.65 -0.54 0.20 2.07 -0.52 -3.37 116.25 115.84 1x9f h VAL 122 Ca -0.34 -2.20 0.11 0.00 0.82 0.00 0.00 66.70 65.09 1x9f h VAL 122 Cb 2.10 3.10 -0.10 0.00 -1.52 0.00 0.00 31.29 34.87 1x9f h VAL 122 CO 0.18 0.55 -0.05 -0.07 0.02 0.00 0.00 177.57 178.21 1x9f h LEU 123 N -0.98 -0.33 -1.85 2.57 3.38 -1.13 0.15 115.31 117.12 1x9f h LEU 123 Ca -0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1x9f h LEU 123 Cb 0.91 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1x9f h LEU 123 CO 0.00 -0.12 0.09 1.55 0.09 0.00 0.00 178.44 180.04 1x9f h PRO 124 N 0.07 0.00 0.00 1.13 0.13 -1.77 0.71 132.00 132.27 1x9f h PRO 124 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 1x9f h PRO 124 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1x9f h PRO 124 CO -0.50 0.00 -0.80 1.96 -0.23 0.00 0.00 178.00 178.43 1x9f h GLN 125 N 0.00 0.00 0.00 0.86 4.20 -0.87 -3.37 115.11 115.93 1x9f h GLN 125 Ca 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1x9f h GLN 125 Cb 0.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1x9f h GLN 125 CO 0.00 0.00 -2.02 1.33 -0.67 0.00 0.00 178.83 177.47 1x9f n VAL 126 N -2.75 0.61 -3.92 -0.54 0.24 0.16 -4.96 118.33 107.17 1x9f n VAL 126 Ca 0.01 -0.64 -0.11 0.00 -2.04 0.00 0.00 64.34 61.56 1x9f n VAL 126 Cb 0.54 -0.25 -0.12 0.00 -1.47 0.00 0.00 33.84 32.55 1x9f n VAL 126 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1x9f s LEU 127 N -5.01 2.03 0.50 1.34 2.34 -0.67 -5.01 118.68 114.20 1x9f s LEU 127 Ca -0.08 -0.23 0.03 0.00 0.06 0.00 0.00 54.13 53.90 1x9f s LEU 127 Cb 0.11 0.15 0.02 0.00 -0.56 0.00 0.00 46.19 45.91 1x9f s LEU 127 CO 0.87 -0.18 0.70 -0.44 -1.06 0.00 0.00 176.35 176.24 1x9f s SER 128 N -0.82 5.49 -1.51 1.48 0.01 -1.26 -4.29 113.70 112.80 1x9f s SER 128 Ca -0.09 -0.04 -0.13 0.00 1.31 0.00 0.00 55.95 57.00 1x9f s SER 128 Cb -0.06 -0.98 0.08 0.00 0.21 0.00 0.00 66.02 65.27 1x9f s SER 128 CO -0.00 -0.95 0.88 0.00 0.41 0.00 0.00 173.24 173.58 1x9f s PHE 130 N -3.23 3.34 -1.15 0.00 5.36 -1.26 -5.00 117.98 116.04 1x9f s PHE 130 Ca 0.61 0.73 -0.19 0.00 -0.96 0.00 0.00 56.93 57.12 1x9f s PHE 130 Cb -0.31 -2.69 0.08 0.00 -0.34 0.00 0.00 43.02 39.77 1x9f s PHE 130 CO 0.75 -0.15 1.53 1.21 -1.46 0.00 0.00 175.22 177.10 1x9f s ASN 131 N 1.26 6.72 0.39 6.13 3.04 -1.26 -4.83 114.94 126.39 1x9f s ASN 131 Ca 0.23 -2.10 0.10 0.00 0.04 0.00 0.00 52.86 51.13 1x9f s ASN 131 Cb -0.15 -2.54 0.80 0.00 -1.54 0.00 0.00 41.25 37.81 1x9f s ASN 131 CO 0.09 -1.23 1.92 1.62 -3.04 0.00 0.00 177.10 176.46 1x9f h VAL 132 N 5.95 1.17 0.06 -5.21 3.04 -1.97 -1.53 116.25 117.76 1x9f h VAL 132 Ca 0.31 -0.77 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1x9f h VAL 132 Cb 0.94 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1x9f h VAL 132 CO 1.39 0.24 -0.03 0.44 -1.01 0.00 0.00 177.57 178.60 1x9f h ASP 133 N 0.22 -0.07 -0.62 3.17 5.19 -1.99 0.14 116.42 122.46 1x9f h ASP 133 Ca 0.04 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1x9f h ASP 133 Cb 0.37 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 1x9f h ASP 133 CO 0.02 0.03 0.35 0.00 -3.12 0.00 0.00 179.24 176.52 1x9f h ALA 134 N 0.76 0.79 -0.29 3.45 0.00 -1.87 -1.80 119.26 120.31 1x9f h ALA 134 Ca -0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1x9f h ALA 134 Cb 0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1x9f h ALA 134 CO 0.01 0.30 0.05 2.35 0.00 0.00 0.00 179.25 181.97 1x9f h TRP 135 N 0.84 0.08 -0.65 0.00 2.91 -1.09 -2.89 115.95 115.17 1x9f h TRP 135 Ca 0.22 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.22 1x9f h TRP 135 Cb 0.03 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 1x9f h TRP 135 CO -0.01 0.01 0.24 -0.91 -1.03 0.00 0.00 178.44 176.75 1x9f h ASN 136 N 0.15 0.90 -0.20 2.65 -0.26 -0.39 0.10 115.58 118.54 1x9f h ASN 136 Ca 0.13 -0.18 0.04 0.00 -0.56 0.00 0.00 56.30 55.73 1x9f h ASN 136 Cb 0.14 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.13 1x9f h ASN 136 CO -0.18 0.84 -0.03 0.03 -1.06 0.00 0.00 177.43 177.03 1x9f h ARG 137 N 0.91 0.02 -0.02 0.81 3.08 -1.24 0.11 114.38 118.06 1x9f h ARG 137 Ca 0.21 -0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.05 1x9f h ARG 137 Cb 0.23 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.29 1x9f h ARG 137 CO -0.01 0.02 -0.81 0.00 -1.07 0.00 0.00 179.97 178.09 1x9f h PHE 139 N 0.20 0.89 -0.68 0.00 3.57 -0.70 -0.73 116.94 119.49 1x9f h PHE 139 Ca -0.10 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.30 1x9f h PHE 139 Cb 1.48 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1x9f h PHE 139 CO 0.12 0.71 0.24 0.45 -2.23 0.00 0.00 178.31 177.60 1x9f h HIS 140 N 0.86 1.06 -0.60 0.41 3.86 -0.76 -0.51 115.15 119.46 1x9f h HIS 140 Ca 0.20 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1x9f h HIS 140 Cb 0.22 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 1x9f h HIS 140 CO 0.01 0.84 0.32 -0.09 0.86 0.00 0.00 177.93 179.88 1x9f h ARG 141 N 0.97 0.85 0.13 2.45 1.12 -0.94 0.29 114.38 119.26 1x9f h ARG 141 Ca 0.22 -0.10 -0.01 0.00 -1.11 0.00 0.00 59.98 58.98 1x9f h ARG 141 Cb 0.25 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 1x9f h ARG 141 CO -0.01 0.65 -0.06 -0.07 -3.11 0.00 0.00 179.97 177.37 1x9f h LEU 142 N 0.82 -0.15 -1.24 3.80 3.38 -0.97 -3.10 115.31 117.84 1x9f h LEU 142 Ca 0.21 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1x9f h LEU 142 Cb 0.06 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1x9f h LEU 142 CO -0.03 0.06 0.14 0.58 0.09 0.00 0.00 178.44 179.29 1x9f h VAL 143 N -0.37 1.19 -0.68 1.22 2.07 -0.90 -1.89 116.25 116.88 1x9f h VAL 143 Ca -0.02 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 66.95 1x9f h VAL 143 Cb 0.30 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 1x9f h VAL 143 CO 0.03 0.24 0.35 0.00 0.02 0.00 0.00 177.57 178.21 1x9f h ALA 144 N 1.50 0.93 -0.13 1.67 0.00 -0.37 0.73 119.26 123.60 1x9f h ALA 144 Ca 0.15 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1x9f h ALA 144 Cb 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1x9f h ALA 144 CO -0.01 -0.03 -0.50 -0.09 0.00 0.00 0.00 179.25 178.62 1x9f h ARG 145 N 0.61 0.57 -0.88 0.00 9.65 -1.38 -2.61 114.38 120.33 1x9f h ARG 145 Ca 0.33 -0.44 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 1x9f h ARG 145 Cb 0.30 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.92 1x9f h ARG 145 CO -0.24 1.06 0.51 0.82 2.80 0.00 0.00 179.97 184.92 1x9f h ILE 146 N 0.19 1.25 -0.60 1.20 2.04 -0.88 -2.79 117.51 117.92 1x9f h ILE 146 Ca -0.03 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1x9f h ILE 146 Cb 1.13 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1x9f h ILE 146 CO 0.11 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.53 1x9f n ALA 147 N -2.39 3.60 -0.27 1.87 0.00 0.21 -4.44 120.51 119.09 1x9f n ALA 147 Ca 0.09 -1.82 0.04 0.00 0.00 0.00 0.00 53.44 51.75 1x9f n ALA 147 Cb 0.08 -1.08 0.18 0.00 0.00 0.00 0.00 19.45 18.62 1x9f n ALA 147 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1x9f h LYS 148 N 4.03 0.57 -0.25 0.00 3.64 -1.17 -2.86 116.57 120.52 1x9f h LYS 148 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1x9f h LYS 148 Cb 1.80 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1x9f h LYS 148 CO 0.40 0.38 0.00 -0.25 -2.27 0.00 0.00 179.45 177.70 1x9f n ASP 149 N -4.89 3.19 0.08 4.20 8.00 -1.26 -4.78 116.55 121.08 1x9f n ASP 149 Ca 0.14 -2.50 -0.17 0.00 0.71 0.00 0.00 54.79 52.97 1x9f n ASP 149 Cb 0.35 -0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1x9f n ASP 149 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1x9f h LEU 150 N 1.59 0.64 0.00 0.64 3.38 -1.81 -3.50 115.31 116.26 1x9f h LEU 150 Ca 0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1x9f h LEU 150 Cb 1.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1x9f h LEU 150 CO 0.09 1.39 0.00 -0.81 0.09 0.00 0.00 178.44 179.20