#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 4.08 2.84 0.26 0.00 1.04 -1.26 -4.84 113.70 115.82 1x9f s SER 8 Ca 0.35 1.26 -0.02 0.00 0.48 0.00 0.00 55.95 58.02 1x9f s SER 8 Cb -0.07 -1.93 0.35 0.00 0.10 0.00 0.00 66.02 64.46 1x9f s SER 8 CO 0.02 -3.01 1.80 0.22 0.98 0.00 0.00 173.24 173.25 1x9f h TYR 9 N -1.81 0.91 -0.63 5.02 3.20 -1.99 -1.57 116.97 120.09 1x9f h TYR 9 Ca -0.53 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.16 1x9f h TYR 9 Cb 1.32 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 1x9f h TYR 9 CO 0.33 0.77 0.06 0.93 -1.64 0.00 0.00 178.16 178.60 1x9f h GLU 10 N 0.84 1.07 -0.22 1.82 3.07 -1.99 -1.41 114.58 117.77 1x9f h GLU 10 Ca 0.18 -0.30 -0.02 0.00 -0.50 0.00 0.00 59.36 58.72 1x9f h GLU 10 Cb 0.32 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1x9f h GLU 10 CO 0.00 1.01 0.07 -0.44 -1.40 0.00 0.00 179.01 178.25 1x9f h ASP 11 N 0.99 0.32 -0.93 1.42 3.32 -1.84 0.81 116.42 120.51 1x9f h ASP 11 Ca 0.19 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1x9f h ASP 11 Cb 0.48 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 1x9f h ASP 11 CO 0.02 0.43 0.59 0.03 -1.72 0.00 0.00 179.24 178.59 1x9f h ARG 12 N 0.19 1.04 -0.34 3.56 3.08 -1.16 0.19 114.38 120.94 1x9f h ARG 12 Ca 0.07 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 1x9f h ARG 12 Cb 0.23 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1x9f h ARG 12 CO -0.00 0.69 -0.42 -0.09 -1.07 0.00 0.00 179.97 179.08 1x9f h ARG 13 N 1.08 0.85 -0.50 0.04 2.43 -1.11 -2.10 114.38 115.07 1x9f h ARG 13 Ca 0.40 -0.46 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1x9f h ARG 13 Cb 0.16 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1x9f h ARG 13 CO -0.17 1.10 0.26 0.93 -1.51 0.00 0.00 179.97 180.59 1x9f h GLU 14 N 0.69 0.50 -0.71 0.20 4.39 0.04 -2.84 114.58 116.85 1x9f h GLU 14 Ca 0.05 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 1x9f h GLU 14 Cb 1.00 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1x9f h GLU 14 CO 0.10 0.33 0.18 0.82 -1.16 0.00 0.00 179.01 179.28 1x9f h ILE 15 N 0.51 1.26 -0.48 3.13 2.04 -0.45 -1.35 117.51 122.18 1x9f h ILE 15 Ca 0.21 -0.96 0.10 0.00 1.00 0.00 0.00 64.86 65.21 1x9f h ILE 15 Cb 0.10 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 36.62 1x9f h ILE 15 CO -0.14 0.37 -0.09 0.03 0.00 0.00 0.00 178.15 178.32 1x9f h ARG 16 N 1.07 0.02 0.05 2.37 3.08 -1.30 0.35 114.38 120.02 1x9f h ARG 16 Ca 0.22 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1x9f h ARG 16 Cb 0.36 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1x9f h ARG 16 CO 0.00 0.01 -0.03 1.25 -1.07 0.00 0.00 179.97 180.14 1x9f h HIS 17 N 0.02 -0.07 -0.45 3.04 2.76 -1.18 -2.51 115.15 116.76 1x9f h HIS 17 Ca 0.24 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.50 1x9f h HIS 17 Cb 0.36 0.02 -0.10 0.00 1.55 0.00 0.00 27.41 29.25 1x9f h HIS 17 CO -0.39 0.04 -0.24 0.82 -1.30 0.00 0.00 177.93 176.86 1x9f h ILE 18 N -0.16 0.33 -0.27 6.26 1.08 -0.93 -3.02 117.51 120.81 1x9f h ILE 18 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1x9f h ILE 18 Cb 0.14 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1x9f h ILE 18 CO 0.01 0.00 0.18 -0.25 -0.69 0.00 0.00 178.15 177.40 1x9f h TRP 19 N -0.14 0.34 -0.31 1.37 2.91 0.10 -0.61 115.95 119.61 1x9f h TRP 19 Ca 0.21 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.33 1x9f h TRP 19 Cb 0.48 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.00 1x9f h TRP 19 CO -0.49 0.21 0.22 -0.44 -1.03 0.00 0.00 178.44 176.91 1x9f h ASP 20 N 0.36 0.00 0.36 2.65 3.45 -1.34 -0.32 116.42 121.58 1x9f h ASP 20 Ca 0.10 0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.24 1x9f h ASP 20 Cb -0.04 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 1x9f h ASP 20 CO -0.02 0.00 -1.71 0.44 -1.57 0.00 0.00 179.24 176.37 1x9f h ASP 21 N 0.00 0.31 -0.05 6.45 5.19 -1.22 -3.36 116.42 123.75 1x9f h ASP 21 Ca 0.15 -0.55 -0.17 0.00 -0.62 0.00 0.00 57.03 55.84 1x9f h ASP 21 Cb 0.59 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 40.01 1x9f h ASP 21 CO -0.00 1.48 -0.63 -0.37 -3.12 0.00 0.00 179.24 176.60 1x9f h VAL 22 N 0.05 1.38 -2.06 -1.35 -1.51 -1.46 -3.38 116.25 107.92 1x9f h VAL 22 Ca -0.31 -2.00 -0.78 0.00 -1.23 0.00 0.00 66.70 62.39 1x9f h VAL 22 Cb 2.02 2.38 -0.20 0.00 -2.13 0.00 0.00 31.29 33.36 1x9f h VAL 22 CO 0.12 0.60 1.49 1.87 -1.23 0.00 0.00 177.57 180.41 1x9f n TRP 23 N -4.16 2.98 0.00 5.19 -0.00 -0.14 -4.82 117.44 116.49 1x9f n TRP 23 Ca -0.09 -2.82 0.00 0.00 -0.00 0.00 0.00 57.50 54.59 1x9f n TRP 23 Cb 0.68 -1.72 0.00 0.00 -0.00 0.00 0.00 31.31 30.26 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 3.10 0.00 -1.37 5.87 2.88 -1.26 -4.75 113.62 118.09 1x9f n SER 24 Ca 0.34 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.75 1x9f n SER 24 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 -1.00 -1.71 -3.46 3.41 -1.26 -4.80 113.62 104.79 1x9f n SER 25 Ca 0.00 0.24 -0.14 0.00 -0.26 0.00 0.00 58.87 58.72 1x9f n SER 25 Cb 0.00 -0.28 0.06 0.00 -0.26 0.00 0.00 64.21 63.74 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 0.77 4.69 -4.55 4.04 3.41 -1.26 -4.80 113.62 115.92 1x9f n SER 26 Ca 0.03 -2.89 -0.24 0.00 -0.26 0.00 0.00 58.87 55.51 1x9f n SER 26 Cb 0.14 -0.83 -0.09 0.00 -0.26 0.00 0.00 64.21 63.17 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 -1.66 2.50 -0.34 7.33 0.40 -1.26 -5.07 117.98 119.88 1x9f s PHE 27 Ca 0.29 -0.27 0.23 0.00 -0.60 0.00 0.00 56.93 56.57 1x9f s PHE 27 Cb 0.23 -1.12 0.11 0.00 0.51 0.00 0.00 43.02 42.75 1x9f s PHE 27 CO 0.03 0.64 1.17 1.79 0.70 0.00 0.00 175.22 179.55 1x9f h THR 28 N 2.21 0.00 -0.72 0.64 1.35 -2.00 -3.41 112.91 110.98 1x9f h THR 28 Ca -0.43 -0.91 0.14 0.00 -0.55 0.00 0.00 66.41 64.66 1x9f h THR 28 Cb 1.25 1.49 -0.14 0.00 -1.73 0.00 0.00 68.15 69.02 1x9f h THR 28 CO 0.59 0.00 -0.23 0.44 -0.25 0.00 0.00 175.52 176.06 1x9f h ASP 29 N 0.00 -0.85 -0.11 5.36 3.32 -1.97 2.26 116.42 124.42 1x9f h ASP 29 Ca 0.00 0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1x9f h ASP 29 Cb 0.95 0.51 -0.00 0.00 0.22 0.00 0.00 39.33 41.01 1x9f h ASP 29 CO 0.00 -0.26 -0.06 -0.09 -1.72 0.00 0.00 179.24 177.11 1x9f h ARG 30 N -0.04 0.24 0.00 3.56 2.43 -1.96 -1.37 114.38 117.25 1x9f h ARG 30 Ca 0.33 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1x9f h ARG 30 Cb 0.55 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1x9f h ARG 30 CO -0.76 0.59 -0.53 0.07 -1.51 0.00 0.00 179.97 177.83 1x9f h ARG 31 N -0.12 0.00 0.10 0.20 0.11 -1.53 -1.86 114.38 111.28 1x9f h ARG 31 Ca 0.02 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.10 1x9f h ARG 31 Cb 0.52 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.60 1x9f h ARG 31 CO 0.02 0.53 -0.07 0.28 0.10 0.00 0.00 179.97 180.82 1x9f h VAL 32 N 0.00 0.84 -0.50 0.08 2.07 0.38 -3.13 116.25 115.99 1x9f h VAL 32 Ca -0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1x9f h VAL 32 Cb 1.08 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1x9f h VAL 32 CO 0.07 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.59 1x9f h ALA 33 N 0.72 0.94 -0.16 1.67 0.00 -0.88 -1.18 119.26 120.38 1x9f h ALA 33 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1x9f h ALA 33 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1x9f h ALA 33 CO -0.00 0.62 -0.02 0.82 0.00 0.00 0.00 179.25 180.67 1x9f h ILE 34 N 0.80 1.27 -0.25 0.00 2.04 -1.47 -1.21 117.51 118.69 1x9f h ILE 34 Ca 0.14 -0.92 -0.11 0.00 1.00 0.00 0.00 64.86 64.97 1x9f h ILE 34 Cb 0.58 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1x9f h ILE 34 CO 0.04 0.27 -0.30 0.58 0.00 0.00 0.00 178.15 178.74 1x9f h VAL 35 N 0.01 1.28 -0.56 1.67 2.07 -1.48 -0.59 116.25 118.65 1x9f h VAL 35 Ca 0.04 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1x9f h VAL 35 Cb 0.42 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1x9f h VAL 35 CO 0.01 0.43 0.35 -0.09 0.02 0.00 0.00 177.57 178.30 1x9f h ARG 36 N 0.44 0.74 -0.74 1.57 2.43 -1.15 -0.41 114.38 117.27 1x9f h ARG 36 Ca 0.06 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1x9f h ARG 36 Cb 0.75 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1x9f h ARG 36 CO 0.06 0.51 0.25 0.00 -1.51 0.00 0.00 179.97 179.28 1x9f h ALA 37 N 1.18 1.05 -0.58 2.80 0.00 -0.85 0.11 119.26 122.97 1x9f h ALA 37 Ca 0.20 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1x9f h ALA 37 Cb -0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1x9f h ALA 37 CO -0.04 0.65 0.33 0.28 0.00 0.00 0.00 179.25 180.47 1x9f h VAL 38 N 1.09 1.02 -0.28 0.00 2.07 -0.67 -1.09 116.25 118.38 1x9f h VAL 38 Ca 0.24 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.41 1x9f h VAL 38 Cb 0.28 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1x9f h VAL 38 CO -0.01 0.12 -0.33 -0.26 0.02 0.00 0.00 177.57 177.11 1x9f h PHE 39 N 0.65 0.87 -0.79 1.57 0.04 -0.65 -0.85 116.94 117.78 1x9f h PHE 39 Ca 0.25 -0.27 0.14 0.00 2.80 0.00 0.00 57.97 60.88 1x9f h PHE 39 Cb 0.09 -0.18 -0.09 0.00 2.20 0.00 0.00 35.95 37.97 1x9f h PHE 39 CO -0.07 1.03 0.36 -0.44 -0.60 0.00 0.00 178.31 178.59 1x9f h ASP 40 N 0.46 0.41 -0.10 2.17 3.32 -0.67 0.16 116.42 122.17 1x9f h ASP 40 Ca 0.04 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1x9f h ASP 40 Cb 0.91 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1x9f h ASP 40 CO 0.08 0.17 0.05 -0.78 -1.72 0.00 0.00 179.24 177.05 1x9f h ASP 41 N 0.54 0.13 -0.46 6.45 1.82 -0.87 -1.75 116.42 122.28 1x9f h ASP 41 Ca 0.42 -0.10 0.07 0.00 -0.39 0.00 0.00 57.03 57.04 1x9f h ASP 41 Cb 0.60 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 40.52 1x9f h ASP 41 CO -0.37 0.19 0.13 0.25 -1.61 0.00 0.00 179.24 177.83 1x9f h LEU 42 N 0.06 0.09 -1.64 2.28 5.85 -0.20 -1.96 115.31 119.79 1x9f h LEU 42 Ca 0.03 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1x9f h LEU 42 Cb 0.09 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1x9f h LEU 42 CO -0.01 0.08 0.00 -0.26 -0.34 0.00 0.00 178.44 177.92 1x9f h PHE 43 N 0.28 0.00 0.12 1.25 0.04 -0.57 0.53 116.94 118.59 1x9f h PHE 43 Ca 0.22 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.71 1x9f h PHE 43 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1x9f h PHE 43 CO -0.18 0.00 -1.28 -0.22 -0.60 0.00 0.00 178.31 176.03 1x9f h LYS 44 N 0.00 0.25 0.00 1.51 3.64 -0.60 -2.85 116.57 118.52 1x9f h LYS 44 Ca 0.00 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1x9f h LYS 44 Cb 0.44 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1x9f h LYS 44 CO 0.00 1.18 -1.54 0.72 -2.27 0.00 0.00 179.45 177.54 1x9f n HIS 45 N -3.50 0.51 -3.15 1.91 8.25 -0.82 -4.58 115.22 113.84 1x9f n HIS 45 Ca -0.09 0.15 -0.22 0.00 -0.26 0.00 0.00 57.72 57.30 1x9f n HIS 45 Cb 1.02 -0.78 -0.06 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.52 -0.87 0.01 4.41 4.02 0.18 -5.02 117.16 117.37 1x9f n TYR 46 Ca -0.04 -3.27 0.14 0.00 -0.01 0.00 0.00 57.90 54.72 1x9f n TYR 46 Cb 0.62 -0.01 0.59 0.00 -0.02 0.00 0.00 39.34 40.52 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 4.18 0.18 0.00 -0.72 0.13 -1.68 -1.14 132.00 132.96 1x9f h PRO 47 Ca 0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1x9f h PRO 47 Cb 0.91 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1x9f h PRO 47 CO 0.43 0.12 0.00 1.79 -0.23 0.00 0.00 178.00 180.11 1x9f h THR 48 N 0.19 0.00 0.00 1.56 1.35 -1.94 -2.14 112.91 111.92 1x9f h THR 48 Ca 0.22 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.86 1x9f h THR 48 Cb 0.62 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1x9f h THR 48 CO -0.04 0.00 -0.11 0.77 -0.25 0.00 0.00 175.52 175.90 1x9f h SER 49 N 0.00 0.00 0.27 5.36 4.64 -1.57 -3.06 113.55 119.18 1x9f h SER 49 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1x9f h SER 49 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1x9f h SER 49 CO 0.00 0.11 -0.11 0.50 -0.87 0.00 0.00 176.83 176.46 1x9f h LYS 50 N 0.00 0.00 0.00 4.77 3.64 -1.56 -0.98 116.57 122.44 1x9f h LYS 50 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x9f h LYS 50 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1x9f h LYS 50 CO 0.01 0.11 0.00 0.00 -2.27 0.00 0.00 179.45 177.30 1x9f n ALA 51 N -2.33 1.78 0.98 5.00 0.00 -1.16 -2.95 120.51 121.84 1x9f n ALA 51 Ca -0.02 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1x9f n ALA 51 Cb 0.21 -1.26 0.58 0.00 0.00 0.00 0.00 19.45 18.97 1x9f n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x9f n LEU 52 N -1.44 0.00 -0.83 0.00 4.77 -0.37 -3.88 117.00 115.24 1x9f n LEU 52 Ca 0.05 0.43 0.03 0.00 -0.03 0.00 0.00 56.01 56.49 1x9f n LEU 52 Cb 0.17 -0.43 0.21 0.00 -2.33 0.00 0.00 43.42 41.04 1x9f n LEU 52 CO 0.14 -0.06 0.63 0.49 -1.33 0.00 0.00 177.39 177.26 1x9f n PHE 53 N -1.43 0.72 0.14 -1.77 3.01 -1.15 -4.62 117.46 112.35 1x9f n PHE 53 Ca 0.08 -1.30 -0.00 0.00 1.01 0.00 0.00 57.45 57.24 1x9f n PHE 53 Cb 0.27 -0.36 0.16 0.00 -0.01 0.00 0.00 39.48 39.54 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 1.04 0.00 -0.14 -1.08 5.08 -1.79 -2.53 114.58 115.15 1x9f h GLU 54 Ca 0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1x9f h GLU 54 Cb 1.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1x9f h GLU 54 CO 0.23 0.61 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.55 1x9f h ARG 55 N 0.00 0.23 -0.66 2.33 1.12 -1.91 -2.62 114.38 112.87 1x9f h ARG 55 Ca -0.01 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 1x9f h ARG 55 Cb 1.17 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1x9f h ARG 55 CO 0.08 0.44 0.00 1.33 -3.11 0.00 0.00 179.97 178.71 1x9f n VAL 56 N -4.21 1.36 -3.14 0.20 0.24 -1.12 -4.99 118.33 106.67 1x9f n VAL 56 Ca -0.01 -1.01 -0.14 0.00 -2.04 0.00 0.00 64.34 61.14 1x9f n VAL 56 Cb 0.32 0.25 0.07 0.00 -1.47 0.00 0.00 33.84 33.01 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 1.24 -5.27 -0.29 7.34 5.02 -0.99 -2.33 118.16 122.88 1x9f n LYS 57 Ca 0.23 0.65 0.26 0.00 -2.02 0.00 0.00 58.31 57.44 1x9f n LYS 57 Cb 0.72 -5.08 0.60 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 -1.57 0.51 -0.15 -0.18 3.07 -1.71 0.97 117.51 118.45 1x9f h ILE 58 Ca -0.45 -0.08 0.04 0.00 1.55 0.00 0.00 64.86 65.92 1x9f h ILE 58 Cb 1.26 0.25 -0.01 0.00 -0.27 0.00 0.00 36.82 38.06 1x9f h ILE 58 CO 0.39 0.04 0.21 -2.24 -1.05 0.00 0.00 178.15 175.51 1x9f h ASP 59 N 0.24 0.00 -2.83 2.16 2.03 -1.91 -2.80 116.42 113.31 1x9f h ASP 59 Ca 0.55 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 56.24 1x9f h ASP 59 Cb 1.69 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 39.77 1x9f h ASP 59 CO -0.17 0.00 -0.59 -0.62 -1.03 0.00 0.00 179.24 176.82 1x9f n GLU 60 N -3.57 1.94 0.00 4.15 1.02 0.34 -4.98 120.64 119.54 1x9f n GLU 60 Ca 0.01 -4.48 0.03 0.00 -0.02 0.00 0.00 57.16 52.69 1x9f n GLU 60 Cb 0.32 -2.25 0.14 0.00 -0.02 0.00 0.00 31.44 29.63 1x9f n GLU 60 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1x9f n PRO 61 N 1.70 0.06 -0.11 3.49 -0.04 -1.06 -1.06 135.00 137.99 1x9f n PRO 61 Ca 0.23 0.27 0.10 0.00 -0.04 0.00 0.00 63.50 64.06 1x9f n PRO 61 Cb 0.37 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.34 1.36 0.22 0.54 -0.58 -1.26 -4.62 120.64 114.96 1x9f n GLU 62 Ca 0.02 -2.62 0.11 0.00 -0.42 0.00 0.00 57.16 54.25 1x9f n GLU 62 Cb 0.05 -1.52 0.31 0.00 -0.57 0.00 0.00 31.44 29.71 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 0.12 0.00 0.00 1.62 4.64 -1.42 -3.48 113.55 115.03 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 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1x9f h SER 63 CO 0.01 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1x9f n GLY 64 N 0.71 2.97 0.25 -0.77 0.00 -1.26 -4.69 105.19 102.40 1x9f n GLY 64 Ca 0.02 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 0.70 0.10 1.61 9.09 -1.92 0.15 114.58 124.32 1x9f h GLU 65 Ca 0.00 -0.31 -0.28 0.00 0.05 0.00 0.00 59.36 58.82 1x9f h GLU 65 Cb 0.00 -0.02 0.03 0.00 -1.65 0.00 0.00 28.75 27.11 1x9f h GLU 65 CO 0.00 0.91 -1.16 0.35 0.05 0.00 0.00 179.01 179.15 1x9f h PHE 66 N 0.60 0.98 -0.71 2.06 3.57 -1.74 -2.01 116.94 119.69 1x9f h PHE 66 Ca 0.07 -0.60 -0.01 0.00 3.53 0.00 0.00 57.97 60.96 1x9f h PHE 66 Cb 0.79 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1x9f h PHE 66 CO 0.04 1.44 0.41 0.87 -2.23 0.00 0.00 178.31 178.84 1x9f h LYS 67 N 0.24 0.97 -0.02 1.11 1.57 -1.81 -1.00 116.57 117.63 1x9f h LYS 67 Ca -0.17 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.36 1x9f h LYS 67 Cb 1.84 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 1x9f h LYS 67 CO 0.22 0.70 -0.70 0.66 -0.57 0.00 0.00 179.45 179.76 1x9f h SER 68 N 0.98 0.12 -0.80 0.86 4.64 -0.71 -1.88 113.55 116.75 1x9f h SER 68 Ca 0.25 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1x9f h SER 68 Cb -0.01 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.01 1x9f h SER 68 CO -0.04 0.78 0.52 -0.74 -0.87 0.00 0.00 176.83 176.47 1x9f h HIS 69 N 0.06 1.02 -0.69 4.77 -0.00 -0.83 0.33 115.15 119.81 1x9f h HIS 69 Ca -0.01 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.32 1x9f h HIS 69 Cb 1.24 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 28.28 1x9f h HIS 69 CO 0.01 0.65 0.20 -0.07 -0.00 0.00 0.00 177.93 178.72 1x9f h LEU 70 N 1.09 1.00 -0.68 0.26 3.38 -0.83 -2.23 115.31 117.31 1x9f h LEU 70 Ca 0.29 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1x9f h LEU 70 Cb -0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 1x9f h LEU 70 CO -0.06 0.94 -0.35 0.58 0.09 0.00 0.00 178.44 179.64 1x9f h VAL 71 N 1.03 1.29 -0.59 1.22 2.07 -1.07 -0.56 116.25 119.63 1x9f h VAL 71 Ca 0.22 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 1x9f h VAL 71 Cb 0.31 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1x9f h VAL 71 CO -0.01 0.48 0.25 0.03 0.02 0.00 0.00 177.57 178.35 1x9f h ARG 72 N 0.53 0.86 -0.05 1.57 3.08 -0.42 0.48 114.38 120.42 1x9f h ARG 72 Ca 0.05 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1x9f h ARG 72 Cb 0.86 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 1x9f h ARG 72 CO 0.07 0.69 -0.07 0.28 -1.07 0.00 0.00 179.97 179.88 1x9f h VAL 73 N 0.85 1.39 -0.16 2.04 2.07 -1.24 0.49 116.25 121.69 1x9f h VAL 73 Ca 0.20 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.51 1x9f h VAL 73 Cb 0.14 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 1x9f h VAL 73 CO -0.02 0.35 -0.29 0.00 0.02 0.00 0.00 177.57 177.62 1x9f h ALA 74 N 0.52 -0.29 0.00 1.67 0.00 -0.63 -0.84 119.26 119.69 1x9f h ALA 74 Ca 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1x9f h ALA 74 Cb 0.59 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1x9f h ALA 74 CO 0.02 -0.75 -0.23 -0.91 0.00 0.00 0.00 179.25 177.37 1x9f h ASN 75 N -0.35 0.00 -0.35 0.00 4.21 -0.03 -0.20 115.58 118.86 1x9f h ASN 75 Ca 0.11 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.51 1x9f h ASN 75 Cb 0.51 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 1x9f h ASN 75 CO -0.36 0.23 -0.16 1.23 -1.29 0.00 0.00 177.43 177.08 1x9f h GLY 76 N 1.00 0.89 0.93 2.83 0.00 -0.30 0.15 103.07 108.57 1x9f h GLY 76 Ca -0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 47.33 46.47 1x9f h GLY 76 CO 0.03 0.65 -0.45 -2.00 0.00 0.00 0.00 176.54 174.78 1x9f h LEU 77 N 0.73 0.68 -0.99 3.11 5.85 -0.49 -2.07 115.31 122.12 1x9f h LEU 77 Ca 0.11 -0.58 0.07 0.00 0.84 0.00 0.00 57.88 58.31 1x9f h LEU 77 Cb 0.67 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 1x9f h LEU 77 CO 0.05 1.14 0.64 0.50 -0.34 0.00 0.00 178.44 180.43 1x9f h LYS 78 N 0.25 1.12 -0.20 1.25 1.63 -0.97 -0.22 116.57 119.43 1x9f h LYS 78 Ca -0.01 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1x9f h LYS 78 Cb 1.07 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1x9f h LYS 78 CO 0.10 0.74 0.09 1.25 -3.45 0.00 0.00 179.45 178.18 1x9f h LEU 79 N 1.16 0.13 -0.42 5.20 6.46 -0.52 -1.67 115.31 125.65 1x9f h LEU 79 Ca 0.43 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.17 1x9f h LEU 79 Cb 0.17 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 1x9f h LEU 79 CO -0.17 0.10 0.17 -0.07 -0.62 0.00 0.00 178.44 177.85 1x9f h LEU 80 N 0.20 0.59 -0.59 2.25 3.38 -0.59 -2.44 115.31 118.10 1x9f h LEU 80 Ca 0.08 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1x9f h LEU 80 Cb 0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1x9f h LEU 80 CO -0.07 0.60 0.35 0.40 0.09 0.00 0.00 178.44 179.81 1x9f h ILE 81 N 0.54 1.04 0.00 1.22 1.08 -0.98 -2.01 117.51 118.41 1x9f h ILE 81 Ca 0.14 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1x9f h ILE 81 Cb 0.20 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1x9f h ILE 81 CO -0.01 0.12 0.00 0.59 -0.69 0.00 0.00 178.15 178.16 1x9f n ASN 82 N -4.77 0.00 -0.25 1.72 3.02 -0.64 -1.90 115.26 112.44 1x9f n ASN 82 Ca 0.06 -1.04 0.06 0.00 -0.03 0.00 0.00 54.58 53.62 1x9f n ASN 82 Cb 0.10 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.85 1.29 0.00 3.41 4.32 -0.78 -4.65 117.00 119.75 1x9f n LEU 83 Ca 0.14 -0.75 0.00 0.00 -0.02 0.00 0.00 56.01 55.38 1x9f n LEU 83 Cb 0.06 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1x9f n LEU 83 CO 0.10 0.26 0.46 0.18 -1.22 0.00 0.00 177.39 177.17 1x9f n LEU 84 N -0.28 0.00 -0.05 2.23 4.77 -0.80 -0.48 117.00 122.39 1x9f n LEU 84 Ca 0.05 0.40 0.01 0.00 -0.03 0.00 0.00 56.01 56.43 1x9f n LEU 84 Cb 0.25 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1x9f n LEU 84 CO 0.15 -0.40 0.34 -0.67 -1.33 0.00 0.00 177.39 175.48 1x9f n ASP 85 N -1.40 1.39 -3.40 -1.43 4.64 -1.26 -4.69 116.55 110.39 1x9f n ASP 85 Ca 0.00 -1.32 -0.26 0.00 -1.38 0.00 0.00 54.79 51.82 1x9f n ASP 85 Cb 0.02 -0.01 -0.08 0.00 -1.04 0.00 0.00 41.12 40.01 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 -0.07 2.79 0.10 1.67 9.92 0.37 -4.99 116.55 126.34 1x9f n ASP 86 Ca 0.01 -3.23 0.05 0.00 -0.53 0.00 0.00 54.79 51.08 1x9f n ASP 86 Cb 0.10 -0.67 0.48 0.00 -0.64 0.00 0.00 41.12 40.39 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 3.04 1.09 -0.17 -3.53 1.35 -1.84 0.57 112.91 113.42 1x9f h THR 87 Ca 0.17 -0.26 -0.16 0.00 -0.55 0.00 0.00 66.41 65.61 1x9f h THR 87 Cb 0.72 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1x9f h THR 87 CO 0.73 0.10 -0.50 -0.07 -0.25 0.00 0.00 175.52 175.53 1x9f h LEU 88 N 0.33 0.73 -0.62 3.87 3.38 -1.94 -0.79 115.31 120.27 1x9f h LEU 88 Ca 0.08 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.48 1x9f h LEU 88 Cb 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1x9f h LEU 88 CO -0.01 1.19 0.40 0.58 0.09 0.00 0.00 178.44 180.69 1x9f h VAL 89 N 0.30 1.13 -0.24 1.22 2.07 -1.73 -2.39 116.25 116.62 1x9f h VAL 89 Ca -0.02 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1x9f h VAL 89 Cb 1.12 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1x9f h VAL 89 CO 0.11 0.15 -0.01 0.25 0.02 0.00 0.00 177.57 178.09 1x9f h LEU 90 N 0.81 -0.11 -0.10 2.57 5.85 -0.79 0.07 115.31 123.61 1x9f h LEU 90 Ca 0.24 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.05 1x9f h LEU 90 Cb -0.05 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1x9f h LEU 90 CO -0.07 -0.02 -0.17 -0.61 -0.34 0.00 0.00 178.44 177.23 1x9f h GLN 91 N 0.07 -0.22 0.42 1.25 4.15 -0.98 -0.22 115.11 119.57 1x9f h GLN 91 Ca 0.11 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1x9f h GLN 91 Cb 0.15 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1x9f h GLN 91 CO -0.20 -0.15 -0.35 1.03 -1.93 0.00 0.00 178.83 177.24 1x9f h SER 92 N -0.23 -0.91 -0.79 -0.69 0.87 -1.07 -2.99 113.55 107.75 1x9f h SER 92 Ca 0.09 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1x9f h SER 92 Cb 0.35 0.30 -0.05 0.00 -0.44 0.00 0.00 62.40 62.56 1x9f h SER 92 CO -0.23 -0.50 0.52 -0.74 -0.53 0.00 0.00 176.83 175.34 1x9f h HIS 93 N -0.76 0.89 -0.87 2.24 -0.00 -0.78 -1.98 115.15 113.89 1x9f h HIS 93 Ca -0.04 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.42 1x9f h HIS 93 Cb 0.66 -0.29 -0.06 0.00 -0.00 0.00 0.00 27.41 27.73 1x9f h HIS 93 CO -0.17 0.48 0.56 1.25 -0.00 0.00 0.00 177.93 180.06 1x9f h LEU 94 N 0.89 0.85 -0.43 0.26 5.85 -0.89 -0.73 115.31 121.10 1x9f h LEU 94 Ca 0.33 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 1x9f h LEU 94 Cb 0.17 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1x9f h LEU 94 CO -0.11 0.55 0.10 1.23 -0.34 0.00 0.00 178.44 179.87 1x9f h GLY 95 N 0.97 0.75 0.33 3.75 0.00 -1.28 -0.59 103.07 107.00 1x9f h GLY 95 Ca 0.37 -0.47 0.09 0.00 0.00 0.00 0.00 47.33 47.32 1x9f h GLY 95 CO -0.14 0.44 0.10 0.84 0.00 0.00 0.00 176.54 177.79 1x9f h HIS 96 N 0.57 0.16 -0.52 5.60 -0.00 -1.06 0.92 115.15 120.81 1x9f h HIS 96 Ca 0.14 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.45 1x9f h HIS 96 Cb 0.33 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.72 1x9f h HIS 96 CO 0.02 -0.01 -0.03 1.25 -0.00 0.00 0.00 177.93 179.16 1x9f h LEU 97 N 0.24 0.88 -0.21 0.26 5.85 -0.91 -2.01 115.31 119.40 1x9f h LEU 97 Ca 0.26 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1x9f h LEU 97 Cb 0.35 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1x9f h LEU 97 CO -0.34 0.96 -0.01 0.00 -0.34 0.00 0.00 178.44 178.72 1x9f h ALA 98 N 1.13 0.18 -0.63 1.25 0.00 -0.41 -2.40 119.26 118.38 1x9f h ALA 98 Ca 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1x9f h ALA 98 Cb 0.54 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1x9f h ALA 98 CO 0.03 -0.43 0.32 -0.44 0.00 0.00 0.00 179.25 178.72 1x9f h ASP 99 N 0.06 0.79 -0.37 0.00 3.45 -0.40 0.12 116.42 120.07 1x9f h ASP 99 Ca 0.10 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.44 1x9f h ASP 99 Cb 0.13 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 1x9f h ASP 99 CO -0.17 0.66 0.08 1.56 -1.57 0.00 0.00 179.24 179.79 1x9f h GLN 100 N 0.88 0.67 0.00 3.56 4.20 -1.13 -2.66 115.11 120.63 1x9f h GLN 100 Ca 0.22 -0.13 -0.20 0.00 0.06 0.00 0.00 58.65 58.60 1x9f h GLN 100 Cb 0.06 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1x9f h GLN 100 CO -0.03 0.63 -1.09 0.45 -0.67 0.00 0.00 178.83 178.13 1x9f h HIS 101 N 0.65 0.00 0.00 2.96 3.86 -0.76 -3.24 115.15 118.62 1x9f h HIS 101 Ca 0.15 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1x9f h HIS 101 Cb 0.28 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1x9f h HIS 101 CO 0.01 0.84 -0.20 0.82 0.86 0.00 0.00 177.93 180.26 1x9f h ILE 102 N 0.00 1.05 -0.00 2.45 2.04 -0.69 -2.57 117.51 119.79 1x9f h ILE 102 Ca -0.08 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1x9f h ILE 102 Cb 1.71 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1x9f h ILE 102 CO 0.09 0.20 -0.00 0.00 0.00 0.00 0.00 178.15 178.44 1x9f n GLN 103 N -4.16 1.08 -3.66 2.37 6.02 -1.02 -4.28 117.38 113.73 1x9f n GLN 103 Ca -0.02 -0.19 -0.38 0.00 -0.01 0.00 0.00 57.00 56.39 1x9f n GLN 103 Cb 0.27 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.94 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 -2.05 2.42 0.27 -1.09 1.81 -0.97 -5.07 118.95 114.27 1x9f s ARG 104 Ca 0.44 -2.05 -0.30 0.00 -1.72 0.00 0.00 55.73 52.11 1x9f s ARG 104 Cb 0.22 -3.79 -0.10 0.00 -0.45 0.00 0.00 34.95 30.82 1x9f s ARG 104 CO 0.37 -1.16 1.45 0.21 -0.68 0.00 0.00 175.30 175.50 1x9f s LYS 105 N 0.81 4.24 0.00 3.54 2.20 -1.26 -2.72 119.74 126.55 1x9f s LYS 105 Ca 0.11 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 1x9f s LYS 105 Cb -0.22 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1x9f s LYS 105 CO -0.03 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 1x9f n GLY 106 N 1.95 1.39 3.67 5.54 0.00 -1.26 -5.07 105.19 111.42 1x9f n GLY 106 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.70 3.95 0.36 1.61 1.01 -1.10 -5.01 120.40 119.51 1x9f s VAL 107 Ca 0.00 1.23 0.09 0.00 0.00 0.00 0.00 61.98 63.30 1x9f s VAL 107 Cb 0.00 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1x9f s VAL 107 CO 0.00 -0.06 -0.06 0.42 0.00 0.00 0.00 175.10 175.40 1x9f s THR 108 N 3.05 2.13 0.31 3.92 -4.23 -1.26 -4.61 115.64 114.95 1x9f s THR 108 Ca 0.62 -2.14 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 1x9f s THR 108 Cb -0.28 -2.74 0.29 0.00 1.34 0.00 0.00 72.50 71.11 1x9f s THR 108 CO 0.23 -0.15 1.90 0.11 -0.54 0.00 0.00 174.62 176.17 1x9f h LYS 109 N 1.96 0.92 -0.60 3.99 1.57 -1.86 -2.42 116.57 120.13 1x9f h LYS 109 Ca -0.42 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1x9f h LYS 109 Cb 1.25 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 1x9f h LYS 109 CO 0.73 0.61 0.33 1.49 -0.57 0.00 0.00 179.45 182.04 1x9f h GLU 110 N 0.95 0.84 -0.25 3.15 4.81 -1.98 -1.42 114.58 120.68 1x9f h GLU 110 Ca 0.40 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1x9f h GLU 110 Cb 0.31 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1x9f h GLU 110 CO -0.16 0.64 -0.14 1.88 -0.73 0.00 0.00 179.01 180.49 1x9f h TYR 111 N 0.81 0.44 -0.02 0.92 0.05 -1.84 -1.42 116.97 115.91 1x9f h TYR 111 Ca 0.21 -0.07 -0.13 0.00 0.05 0.00 0.00 58.73 58.80 1x9f h TYR 111 Cb 0.04 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1x9f h TYR 111 CO -0.01 0.55 -0.58 0.74 -1.05 0.00 0.00 178.16 177.81 1x9f h PHE 112 N 0.39 0.09 -0.41 4.88 -1.00 -1.13 -0.72 116.94 119.04 1x9f h PHE 112 Ca 0.07 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 1x9f h PHE 112 Cb 0.48 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 1x9f h PHE 112 CO 0.01 0.63 0.23 -0.09 -1.61 0.00 0.00 178.31 177.49 1x9f h ARG 113 N 0.06 0.57 -0.87 1.51 2.43 -0.87 -2.77 114.38 114.44 1x9f h ARG 113 Ca -0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1x9f h ARG 113 Cb 1.03 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1x9f h ARG 113 CO 0.08 0.45 0.44 0.78 -1.51 0.00 0.00 179.97 180.21 1x9f h GLY 114 N 0.53 1.33 1.79 2.80 0.00 -0.72 -1.18 103.07 107.62 1x9f h GLY 114 Ca 0.14 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1x9f h GLY 114 CO -0.02 0.61 -0.36 1.19 0.00 0.00 0.00 176.54 177.95 1x9f h ILE 115 N 1.23 1.29 -0.34 2.60 6.09 -1.13 0.25 117.51 127.50 1x9f h ILE 115 Ca 0.30 -1.39 -0.01 0.00 -1.37 0.00 0.00 64.86 62.39 1x9f h ILE 115 Cb 0.09 1.60 -0.02 0.00 0.47 0.00 0.00 36.82 38.96 1x9f h ILE 115 CO -0.04 0.42 0.17 1.23 -3.07 0.00 0.00 178.15 176.86 1x9f h GLY 116 N 1.14 0.51 1.66 8.18 0.00 -1.07 -0.34 103.07 113.15 1x9f h GLY 116 Ca 0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1x9f h GLY 116 CO 0.06 0.23 -0.20 0.83 0.00 0.00 0.00 176.54 177.46 1x9f h GLU 117 N 0.41 0.41 -0.14 4.80 5.08 -0.94 -1.73 114.58 122.47 1x9f h GLU 117 Ca 0.12 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1x9f h GLU 117 Cb 0.09 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1x9f h GLU 117 CO -0.02 0.59 -0.04 0.00 -1.00 0.00 0.00 179.01 178.54 1x9f h ALA 118 N 1.43 0.19 -0.69 3.43 0.00 -0.59 -2.42 119.26 120.61 1x9f h ALA 118 Ca 0.06 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1x9f h ALA 118 Cb 0.56 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1x9f h ALA 118 CO 0.04 -0.05 0.43 0.74 0.00 0.00 0.00 179.25 180.41 1x9f h PHE 119 N -0.05 0.82 0.00 0.00 -1.00 -0.97 -0.23 116.94 115.50 1x9f h PHE 119 Ca 0.03 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1x9f h PHE 119 Cb 0.48 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.77 1x9f h PHE 119 CO 0.06 0.48 -0.07 0.00 -1.61 0.00 0.00 178.31 177.16 1x9f h ALA 120 N 1.28 1.71 0.02 2.45 0.00 -1.19 0.10 119.26 123.63 1x9f h ALA 120 Ca 0.27 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.79 1x9f h ALA 120 Cb -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1x9f h ALA 120 CO -0.10 0.09 -1.96 -2.13 0.00 0.00 0.00 179.25 175.15 1x9f n ARG 121 N -4.20 0.67 -0.07 0.00 0.63 -0.92 -4.39 116.66 108.38 1x9f n ARG 121 Ca -0.03 0.21 -0.21 0.00 -0.92 0.00 0.00 57.85 56.90 1x9f n ARG 121 Cb 0.15 -1.70 -0.12 0.00 0.45 0.00 0.00 32.46 31.24 1x9f n ARG 121 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1x9f h VAL 122 N 0.01 0.91 -0.65 5.15 2.07 -0.79 -3.39 116.25 119.56 1x9f h VAL 122 Ca -0.39 -2.24 0.12 0.00 0.82 0.00 0.00 66.70 65.00 1x9f h VAL 122 Cb 2.07 2.39 -0.09 0.00 -1.52 0.00 0.00 31.29 34.14 1x9f h VAL 122 CO 0.06 0.49 0.20 -0.07 0.02 0.00 0.00 177.57 178.27 1x9f h LEU 123 N -0.70 0.13 -1.32 2.57 3.38 -1.21 0.20 115.31 118.37 1x9f h LEU 123 Ca -0.34 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1x9f h LEU 123 Cb 1.49 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1x9f h LEU 123 CO -0.11 0.07 0.05 -0.81 0.09 0.00 0.00 178.44 177.73 1x9f n PRO 124 N -5.06 0.13 0.06 1.13 -0.04 -1.26 -1.16 135.00 128.79 1x9f n PRO 124 Ca 0.10 0.62 0.11 0.00 -0.04 0.00 0.00 63.50 64.30 1x9f n PRO 124 Cb 0.34 -1.98 0.03 0.00 -0.04 0.00 0.00 33.50 31.85 1x9f n PRO 124 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1x9f n GLN 125 N -2.21 0.43 -0.02 0.54 6.02 0.69 -4.16 117.38 118.67 1x9f n GLN 125 Ca -0.01 0.04 0.04 0.00 -0.01 0.00 0.00 57.00 57.06 1x9f n GLN 125 Cb 0.08 -1.68 -0.14 0.00 1.02 0.00 0.00 30.24 29.52 1x9f n GLN 125 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1x9f n VAL 126 N -2.25 0.55 -3.83 5.09 0.24 -0.31 -4.96 118.33 112.86 1x9f n VAL 126 Ca 0.01 -0.62 -0.12 0.00 -2.04 0.00 0.00 64.34 61.57 1x9f n VAL 126 Cb 0.49 -0.24 -0.11 0.00 -1.47 0.00 0.00 33.84 32.51 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 -4.99 1.40 0.45 1.34 2.34 -0.86 -5.01 118.68 113.35 1x9f s LEU 127 Ca -0.07 0.17 0.01 0.00 0.06 0.00 0.00 54.13 54.29 1x9f s LEU 127 Cb 0.11 0.63 -0.00 0.00 -0.56 0.00 0.00 46.19 46.37 1x9f s LEU 127 CO 0.87 -0.16 0.67 -0.44 -1.06 0.00 0.00 176.35 176.23 1x9f s SER 128 N -0.40 5.80 -1.45 1.48 0.01 -1.26 -4.20 113.70 113.68 1x9f s SER 128 Ca -0.05 0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.38 1x9f s SER 128 Cb -0.03 -1.48 0.03 0.00 0.21 0.00 0.00 66.02 64.75 1x9f s SER 128 CO 0.01 -0.73 0.92 0.00 0.41 0.00 0.00 173.24 173.85 1x9f s PHE 130 N -3.24 3.30 -1.12 0.00 5.36 -1.26 -5.01 117.98 116.01 1x9f s PHE 130 Ca 0.51 0.68 -0.21 0.00 -0.96 0.00 0.00 56.93 56.95 1x9f s PHE 130 Cb -0.23 -2.70 0.04 0.00 -0.34 0.00 0.00 43.02 39.78 1x9f s PHE 130 CO 0.63 -0.22 1.63 1.21 -1.46 0.00 0.00 175.22 177.01 1x9f s ASN 131 N 1.41 6.39 0.30 6.13 3.04 -1.26 -4.85 114.94 126.10 1x9f s ASN 131 Ca 0.22 -1.75 -0.00 0.00 0.04 0.00 0.00 52.86 51.37 1x9f s ASN 131 Cb -0.16 -2.57 0.46 0.00 -1.54 0.00 0.00 41.25 37.44 1x9f s ASN 131 CO 0.09 -1.62 1.89 1.62 -3.04 0.00 0.00 177.10 176.04 1x9f h VAL 132 N 6.36 1.21 -0.14 -5.21 3.04 -1.96 -1.87 116.25 117.67 1x9f h VAL 132 Ca 0.28 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1x9f h VAL 132 Cb 0.95 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 1x9f h VAL 132 CO 1.41 0.26 0.09 0.44 -1.01 0.00 0.00 177.57 178.75 1x9f h ASP 133 N 0.85 0.17 -0.58 3.17 5.19 -1.99 0.36 116.42 123.59 1x9f h ASP 133 Ca 0.20 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1x9f h ASP 133 Cb 0.15 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 1x9f h ASP 133 CO -0.02 0.14 0.13 0.00 -3.12 0.00 0.00 179.24 176.37 1x9f h ALA 134 N 1.03 1.08 -0.15 3.45 0.00 -1.90 -1.81 119.26 120.97 1x9f h ALA 134 Ca 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1x9f h ALA 134 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1x9f h ALA 134 CO -0.01 0.61 0.06 2.35 0.00 0.00 0.00 179.25 182.25 1x9f h TRP 135 N 0.92 0.23 -0.59 0.00 2.91 -0.96 -2.95 115.95 115.51 1x9f h TRP 135 Ca 0.19 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.15 1x9f h TRP 135 Cb 0.35 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.91 1x9f h TRP 135 CO 0.02 0.32 0.19 -0.91 -1.03 0.00 0.00 178.44 177.04 1x9f h ASN 136 N 0.08 0.82 -0.70 2.65 -0.26 -0.06 0.06 115.58 118.17 1x9f h ASN 136 Ca 0.05 -0.13 -0.03 0.00 -0.56 0.00 0.00 56.30 55.63 1x9f h ASN 136 Cb 0.19 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 1x9f h ASN 136 CO -0.00 0.77 0.32 -0.09 -1.06 0.00 0.00 177.43 177.37 1x9f h ARG 137 N 0.87 1.02 0.19 0.81 2.43 -1.30 0.14 114.38 118.54 1x9f h ARG 137 Ca 0.20 -0.16 -0.33 0.00 -0.81 0.00 0.00 59.98 58.88 1x9f h ARG 137 Cb 0.24 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1x9f h ARG 137 CO -0.01 0.81 -1.53 0.00 -1.51 0.00 0.00 179.97 177.73 1x9f h PHE 139 N 0.11 0.99 -0.75 0.00 3.57 -0.86 -0.50 116.94 119.51 1x9f h PHE 139 Ca -0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 1x9f h PHE 139 Cb 2.09 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 40.47 1x9f h PHE 139 CO 0.10 0.65 0.39 0.45 -2.23 0.00 0.00 178.31 177.67 1x9f h HIS 140 N 1.05 1.04 -0.48 0.41 3.86 -1.04 0.19 115.15 120.19 1x9f h HIS 140 Ca 0.28 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1x9f h HIS 140 Cb -0.07 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.05 1x9f h HIS 140 CO -0.01 0.74 0.20 -0.09 0.86 0.00 0.00 177.93 179.64 1x9f h ARG 141 N 1.04 0.70 -0.13 2.45 1.12 -1.24 0.34 114.38 118.66 1x9f h ARG 141 Ca 0.26 -0.12 -0.01 0.00 -1.11 0.00 0.00 59.98 59.00 1x9f h ARG 141 Cb 0.06 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 1x9f h ARG 141 CO -0.04 0.62 0.04 -0.07 -3.11 0.00 0.00 179.97 177.41 1x9f h LEU 142 N 0.63 0.19 -0.98 3.80 3.38 -0.71 -2.93 115.31 118.68 1x9f h LEU 142 Ca 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1x9f h LEU 142 Cb 0.17 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1x9f h LEU 142 CO -0.02 0.35 0.39 0.58 0.09 0.00 0.00 178.44 179.84 1x9f h VAL 143 N 0.02 1.24 -0.63 1.22 2.07 -0.54 -2.13 116.25 117.50 1x9f h VAL 143 Ca 0.04 -0.66 0.10 0.00 0.82 0.00 0.00 66.70 67.01 1x9f h VAL 143 Cb 0.23 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 1x9f h VAL 143 CO -0.00 0.28 0.23 0.00 0.02 0.00 0.00 177.57 178.10 1x9f h ALA 144 N 1.32 0.82 -0.17 1.67 0.00 -0.14 -0.24 119.26 122.52 1x9f h ALA 144 Ca 0.27 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1x9f h ALA 144 Cb 0.09 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1x9f h ALA 144 CO -0.04 -0.20 -0.39 -0.09 0.00 0.00 0.00 179.25 178.53 1x9f h ARG 145 N 0.40 0.56 -0.64 0.00 9.65 -1.42 -2.53 114.38 120.40 1x9f h ARG 145 Ca 0.32 -0.38 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1x9f h ARG 145 Cb 0.42 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.02 1x9f h ARG 145 CO -0.33 0.99 0.35 0.82 2.80 0.00 0.00 179.97 184.60 1x9f h ILE 146 N 0.22 1.19 -0.61 1.20 2.04 -0.68 -2.92 117.51 117.95 1x9f h ILE 146 Ca 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1x9f h ILE 146 Cb 0.99 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1x9f h ILE 146 CO 0.09 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.45 1x9f n ALA 147 N -2.44 2.76 -0.27 1.87 0.00 -0.17 -4.44 120.51 117.81 1x9f n ALA 147 Ca 0.06 -1.50 0.08 0.00 0.00 0.00 0.00 53.44 52.07 1x9f n ALA 147 Cb 0.10 -0.89 0.22 0.00 0.00 0.00 0.00 19.45 18.88 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 3.72 0.32 -0.21 0.00 3.64 -1.24 -2.60 116.57 120.20 1x9f h LYS 148 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1x9f h LYS 148 Cb 1.23 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1x9f h LYS 148 CO 0.14 0.21 0.00 -0.25 -2.27 0.00 0.00 179.45 177.28 1x9f n ASP 149 N -5.10 2.83 -0.09 4.20 8.00 -1.26 -4.80 116.55 120.33 1x9f n ASP 149 Ca 0.16 -2.31 -0.12 0.00 0.71 0.00 0.00 54.79 53.24 1x9f n ASP 149 Cb 0.51 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.29 0.58 0.00 0.64 3.38 -1.76 -3.50 115.31 115.94 1x9f h LEU 150 Ca 0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1x9f h LEU 150 Cb 0.84 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1x9f h LEU 150 CO 0.04 0.85 0.00 -0.81 0.09 0.00 0.00 178.44 178.61