#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9f s LYS 2 N 0.00 0.42 0.13 1.97 2.20 -1.26 -5.11 119.74 118.09 1x9f s LYS 2 Ca 0.00 0.31 0.03 0.00 -0.36 0.00 0.00 55.97 55.95 1x9f s LYS 2 Cb 0.00 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 1x9f s LYS 2 CO 0.00 -0.09 0.21 -0.65 -0.36 0.00 0.00 175.35 174.46 1x9f s GLN 3 N -0.34 3.23 -1.11 4.03 -0.21 -1.26 -4.59 119.66 119.42 1x9f s GLN 3 Ca 0.03 -0.66 -0.20 0.00 0.02 0.00 0.00 55.36 54.55 1x9f s GLN 3 Cb -0.03 -2.86 -0.06 0.00 1.00 0.00 0.00 33.01 31.05 1x9f s GLN 3 CO -0.05 0.53 1.94 0.00 -2.12 0.00 0.00 175.29 175.59 1x9f n GLY 5 N 5.00 0.25 0.20 0.00 0.00 -1.26 -4.80 105.19 104.59 1x9f n GLY 5 Ca 0.48 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 1x9f n GLY 5 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x9f h VAL 6 N -0.61 0.57 -0.25 1.61 2.07 -1.96 -0.17 116.25 117.51 1x9f h VAL 6 Ca -0.07 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 1x9f h VAL 6 Cb 0.23 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1x9f h VAL 6 CO 0.07 0.00 -0.26 -0.07 0.02 0.00 0.00 177.57 177.32 1x9f h LEU 7 N -0.13 0.66 -0.97 2.57 4.07 -1.95 -0.54 115.31 119.02 1x9f h LEU 7 Ca 0.13 -0.48 -0.06 0.00 0.08 0.00 0.00 57.88 57.55 1x9f h LEU 7 Cb 0.33 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1x9f h LEU 7 CO -0.32 1.01 0.09 1.05 -1.08 0.00 0.00 178.44 179.19 1x9f h GLU 8 N 0.33 0.84 -0.50 1.13 9.09 -1.85 -0.53 114.58 123.09 1x9f h GLU 8 Ca 0.04 -0.19 -0.07 0.00 0.05 0.00 0.00 59.36 59.19 1x9f h GLU 8 Cb 0.83 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.79 1x9f h GLU 8 CO 0.06 0.78 0.05 0.78 0.05 0.00 0.00 179.01 180.74 1x9f h GLY 9 N 0.98 0.91 0.66 1.06 0.00 -0.89 0.08 103.07 105.87 1x9f h GLY 9 Ca 0.17 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 46.90 1x9f h GLY 9 CO 0.01 0.58 -0.08 1.41 0.00 0.00 0.00 176.54 178.46 1x9f h LEU 10 N 0.72 -0.24 -0.25 3.11 4.07 -0.78 -0.64 115.31 121.30 1x9f h LEU 10 Ca 0.15 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 1x9f h LEU 10 Cb 0.44 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1x9f h LEU 10 CO 0.02 -0.10 0.12 0.50 -1.08 0.00 0.00 178.44 177.89 1x9f h LYS 11 N -0.08 0.37 -0.75 1.13 3.64 -0.89 -2.71 116.57 117.27 1x9f h LYS 11 Ca 0.07 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1x9f h LYS 11 Cb 0.18 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1x9f h LYS 11 CO -0.16 0.37 0.33 0.28 -2.27 0.00 0.00 179.45 178.01 1x9f h VAL 12 N 0.27 1.24 -0.37 2.00 2.07 -0.92 -0.61 116.25 119.93 1x9f h VAL 12 Ca 0.09 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 66.94 1x9f h VAL 12 Cb 0.13 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1x9f h VAL 12 CO -0.01 0.30 0.09 0.11 0.02 0.00 0.00 177.57 178.08 1x9f h LYS 13 N 1.07 0.22 -0.12 1.57 1.57 -0.90 0.39 116.57 120.36 1x9f h LYS 13 Ca 0.25 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1x9f h LYS 13 Cb 0.15 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1x9f h LYS 13 CO -0.03 0.14 -0.01 0.77 -0.57 0.00 0.00 179.45 179.75 1x9f h SER 14 N 0.22 0.23 0.14 0.86 0.02 -1.15 -1.98 113.55 111.89 1x9f h SER 14 Ca 0.18 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 1x9f h SER 14 Cb 0.19 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1x9f h SER 14 CO -0.22 0.51 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.42 1x9f h GLU 15 N -0.06 0.18 0.07 3.45 5.08 -1.04 -1.64 114.58 120.61 1x9f h GLU 15 Ca 0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1x9f h GLU 15 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1x9f h GLU 15 CO 0.01 0.41 -0.03 2.35 -1.00 0.00 0.00 179.01 180.75 1x9f h TRP 16 N 0.16 -0.09 -0.53 4.33 2.91 -0.84 -1.74 115.95 120.16 1x9f h TRP 16 Ca 0.03 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.15 1x9f h TRP 16 Cb 0.51 0.03 -0.11 0.00 -0.51 0.00 0.00 29.16 29.09 1x9f h TRP 16 CO 0.01 0.14 -0.23 0.78 -1.03 0.00 0.00 178.44 178.10 1x9f h GLY 17 N -0.31 0.14 1.74 2.65 0.00 -0.92 0.34 103.07 106.72 1x9f h GLY 17 Ca -0.01 0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 1x9f h GLY 17 CO 0.02 -0.22 -0.12 3.21 0.00 0.00 0.00 176.54 179.43 1x9f h ARG 18 N -0.10 0.32 0.00 4.80 3.08 -1.25 -3.23 114.38 118.00 1x9f h ARG 18 Ca 0.24 -0.08 -0.28 0.00 0.07 0.00 0.00 59.98 59.94 1x9f h ARG 18 Cb 0.49 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 1x9f h ARG 18 CO -0.60 0.44 -1.60 0.00 -1.07 0.00 0.00 179.97 177.14 1x9f h ALA 19 N 1.58 0.69 -0.56 0.04 0.00 -0.36 -3.38 119.26 117.28 1x9f h ALA 19 Ca 0.06 -1.37 -0.02 0.00 0.00 0.00 0.00 54.91 53.58 1x9f h ALA 19 Cb 0.40 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1x9f h ALA 19 CO 0.02 1.52 0.27 -0.92 0.00 0.00 0.00 179.25 180.14 1x9f h TYR 20 N 0.00 0.81 -0.85 0.00 -0.00 -0.38 -3.48 116.97 113.08 1x9f h TYR 20 Ca -0.24 -0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.45 1x9f h TYR 20 Cb 1.98 -0.25 0.00 0.00 -0.00 0.00 0.00 36.73 38.45 1x9f h TYR 20 CO 0.00 0.63 0.00 0.41 -0.00 0.00 0.00 178.16 179.20 1x9f n GLY 21 N -0.92 0.93 3.62 1.82 0.00 -1.24 -4.20 105.19 105.19 1x9f n GLY 21 Ca 0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 1x9f n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x9f s SER 22 N -4.00 0.26 0.71 1.61 1.04 -1.26 -4.72 113.70 107.34 1x9f s SER 22 Ca 0.00 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1x9f s SER 22 Cb 0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1x9f s SER 22 CO 0.00 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.51 1x9f n GLY 23 N -0.48 2.54 0.32 7.32 0.00 -1.26 -2.06 105.19 111.57 1x9f n GLY 23 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.83 1x9f n GLY 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1x9f h HIS 24 N 0.00 0.68 -0.90 1.61 3.86 -2.00 -2.02 115.15 116.38 1x9f h HIS 24 Ca 0.00 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1x9f h HIS 24 Cb 0.00 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 28.20 1x9f h HIS 24 CO 0.00 0.45 0.60 -0.44 0.86 0.00 0.00 177.93 179.40 1x9f h ASP 25 N 0.72 1.03 -0.35 2.45 3.32 -1.80 -1.12 116.42 120.67 1x9f h ASP 25 Ca 0.19 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1x9f h ASP 25 Cb -0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1x9f h ASP 25 CO -0.04 0.74 -0.23 -0.09 -1.72 0.00 0.00 179.24 177.90 1x9f h ARG 26 N 1.21 0.77 -0.03 3.56 2.43 -0.80 -0.96 114.38 120.55 1x9f h ARG 26 Ca 0.33 -0.36 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1x9f h ARG 26 Cb -0.12 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1x9f h ARG 26 CO -0.08 0.98 -0.02 0.93 -1.51 0.00 0.00 179.97 180.27 1x9f h GLU 27 N 0.55 -0.03 -0.71 0.20 5.08 -1.14 0.12 114.58 118.65 1x9f h GLU 27 Ca 0.07 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1x9f h GLU 27 Cb 0.79 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 1x9f h GLU 27 CO 0.06 -0.02 0.44 0.00 -1.00 0.00 0.00 179.01 178.50 1x9f h ALA 28 N 1.00 0.94 -0.18 3.43 0.00 -1.17 -0.67 119.26 122.61 1x9f h ALA 28 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x9f h ALA 28 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1x9f h ALA 28 CO -0.05 0.21 0.12 0.35 0.00 0.00 0.00 179.25 179.88 1x9f h PHE 29 N 0.85 0.23 -0.86 0.00 3.57 -0.92 0.70 116.94 120.52 1x9f h PHE 29 Ca 0.29 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.89 1x9f h PHE 29 Cb 0.05 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.64 1x9f h PHE 29 CO -0.04 0.16 0.51 0.77 -2.23 0.00 0.00 178.31 177.47 1x9f h SER 30 N 0.24 0.75 -0.10 0.41 0.02 -0.12 -2.56 113.55 112.19 1x9f h SER 30 Ca 0.07 0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.89 1x9f h SER 30 Cb -0.01 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.43 1x9f h SER 30 CO -0.01 0.44 -0.60 1.56 -1.14 0.00 0.00 176.83 177.08 1x9f h GLN 31 N 0.87 0.59 -0.80 3.45 4.20 -0.75 -3.00 115.11 119.67 1x9f h GLN 31 Ca 0.41 -0.49 0.14 0.00 0.06 0.00 0.00 58.65 58.77 1x9f h GLN 31 Cb 0.33 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 1x9f h GLN 31 CO -0.23 1.12 0.36 0.00 -0.67 0.00 0.00 178.83 179.41 1x9f h ALA 32 N 0.48 1.16 -0.11 3.87 0.00 -0.71 0.14 119.26 124.09 1x9f h ALA 32 Ca -0.05 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1x9f h ALA 32 Cb 1.24 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1x9f h ALA 32 CO 0.12 -0.16 0.01 0.82 0.00 0.00 0.00 179.25 180.04 1x9f h ILE 33 N 0.52 1.24 -0.53 0.00 2.04 -1.44 -1.60 117.51 117.75 1x9f h ILE 33 Ca 0.44 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 1x9f h ILE 33 Cb 0.64 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1x9f h ILE 33 CO -0.38 0.22 0.05 -0.50 0.00 0.00 0.00 178.15 177.53 1x9f h TRP 34 N -0.06 0.90 -0.57 1.37 4.06 -1.32 -0.46 115.95 119.87 1x9f h TRP 34 Ca 0.03 -0.11 -0.07 0.00 2.06 0.00 0.00 58.89 60.80 1x9f h TRP 34 Cb 0.33 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 1x9f h TRP 34 CO 0.03 0.80 0.10 0.00 -3.56 0.00 0.00 178.44 175.80 1x9f h ARG 35 N 0.80 0.93 -0.69 0.49 3.08 -0.97 -0.04 114.38 117.98 1x9f h ARG 35 Ca 0.16 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1x9f h ARG 35 Cb 0.41 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1x9f h ARG 35 CO 0.01 0.89 0.23 0.00 -1.07 0.00 0.00 179.97 180.04 1x9f h ALA 36 N 1.00 1.11 0.37 0.04 0.00 -1.04 0.11 119.26 120.84 1x9f h ALA 36 Ca 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1x9f h ALA 36 Cb 0.41 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1x9f h ALA 36 CO 0.01 0.62 -0.18 1.15 0.00 0.00 0.00 179.25 180.85 1x9f h THR 37 N 1.02 0.65 -0.77 0.00 2.02 -0.79 -2.73 112.91 112.29 1x9f h THR 37 Ca 0.23 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1x9f h THR 37 Cb 0.26 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1x9f h THR 37 CO -0.01 0.02 0.43 -0.26 0.37 0.00 0.00 175.52 176.06 1x9f h PHE 38 N -0.53 1.04 -0.37 3.16 0.05 -0.83 0.43 116.94 119.89 1x9f h PHE 38 Ca -0.05 -0.02 0.03 0.00 3.82 0.00 0.00 57.97 61.76 1x9f h PHE 38 Cb 0.40 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 38.00 1x9f h PHE 38 CO -0.04 0.72 0.25 0.00 -0.18 0.00 0.00 178.31 179.06 1x9f h ALA 39 N 1.40 1.89 0.16 2.45 0.00 -0.71 -0.93 119.26 123.52 1x9f h ALA 39 Ca 0.27 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.81 1x9f h ALA 39 Cb 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1x9f h ALA 39 CO -0.05 0.06 -1.87 0.37 0.00 0.00 0.00 179.25 177.76 1x9f h GLN 40 N 0.36 0.34 -2.35 0.00 4.15 -0.97 -3.41 115.11 113.23 1x9f h GLN 40 Ca 0.15 -0.58 -0.59 0.00 0.77 0.00 0.00 58.65 58.41 1x9f h GLN 40 Cb 0.15 0.21 -0.40 0.00 0.21 0.00 0.00 27.48 27.66 1x9f h GLN 40 CO -0.03 1.28 -0.86 1.33 -1.93 0.00 0.00 178.83 178.61 1x9f n VAL 41 N -3.54 0.24 0.18 2.39 0.24 0.04 -4.97 118.33 112.90 1x9f n VAL 41 Ca -0.28 -4.26 0.18 0.00 -2.04 0.00 0.00 64.34 57.94 1x9f n VAL 41 Cb 1.06 -1.94 0.81 0.00 -1.47 0.00 0.00 33.84 32.30 1x9f n VAL 41 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1x9f h PRO 42 N 4.77 0.00 -0.76 7.34 0.13 -1.40 0.33 132.00 142.41 1x9f h PRO 42 Ca 0.17 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.43 1x9f h PRO 42 Cb 0.82 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 1x9f h PRO 42 CO 0.56 0.00 0.50 0.93 -0.23 0.00 0.00 178.00 179.77 1x9f h GLU 43 N 0.00 0.50 0.00 0.86 4.39 -1.93 -2.72 114.58 115.68 1x9f h GLU 43 Ca 0.12 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1x9f h GLU 43 Cb 0.72 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1x9f h GLU 43 CO -0.00 0.33 -0.05 0.66 -1.16 0.00 0.00 179.01 178.78 1x9f h SER 44 N 0.51 0.00 -0.83 1.42 4.64 -1.29 -3.06 113.55 114.94 1x9f h SER 44 Ca 0.37 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.81 1x9f h SER 44 Cb 0.72 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.72 1x9f h SER 44 CO -0.13 0.05 0.45 -0.09 -0.87 0.00 0.00 176.83 176.24 1x9f h ARG 45 N 0.00 0.68 -0.10 4.77 2.43 -1.65 -2.09 114.38 118.42 1x9f h ARG 45 Ca -0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1x9f h ARG 45 Cb 0.42 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1x9f h ARG 45 CO 0.01 0.45 0.17 0.66 -1.51 0.00 0.00 179.97 179.75 1x9f h SER 46 N 0.70 0.00 0.64 -3.80 4.64 -1.75 0.38 113.55 114.36 1x9f h SER 46 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1x9f h SER 46 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1x9f h SER 46 CO -0.31 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.58 1x9f h LEU 47 N 0.00 0.00 -3.25 5.97 4.07 -1.60 -3.18 115.31 117.31 1x9f h LEU 47 Ca 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1x9f h LEU 47 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1x9f h LEU 47 CO -0.00 0.00 -0.00 0.49 -1.08 0.00 0.00 178.44 177.85 1x9f n PHE 48 N -2.86 0.91 -0.24 1.13 3.01 0.12 -4.61 117.46 114.93 1x9f n PHE 48 Ca -0.00 -0.92 -0.00 0.00 1.01 0.00 0.00 57.45 57.53 1x9f n PHE 48 Cb 0.21 -0.32 0.22 0.00 -0.01 0.00 0.00 39.48 39.58 1x9f n PHE 48 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1x9f h LYS 49 N 1.67 1.04 0.00 -1.08 1.63 -1.67 0.24 116.57 118.40 1x9f h LYS 49 Ca 0.01 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1x9f h LYS 49 Cb 1.44 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1x9f h LYS 49 CO 0.22 0.70 0.00 -2.13 -3.45 0.00 0.00 179.45 174.79 1x9f n ARG 50 N -4.40 0.09 -0.74 1.90 0.63 -1.26 -2.52 116.66 110.35 1x9f n ARG 50 Ca 0.08 0.37 0.06 0.00 -0.92 0.00 0.00 57.85 57.44 1x9f n ARG 50 Cb 0.04 -1.69 0.12 0.00 0.45 0.00 0.00 32.46 31.39 1x9f n ARG 50 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1x9f n VAL 51 N -1.86 1.32 -3.54 5.15 3.14 -0.43 -4.99 118.33 117.12 1x9f n VAL 51 Ca 0.02 -2.12 -0.22 0.00 -2.96 0.00 0.00 64.34 59.06 1x9f n VAL 51 Cb 0.17 0.18 0.08 0.00 -1.06 0.00 0.00 33.84 33.21 1x9f n VAL 51 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1x9f n HIS 52 N -0.61 -2.71 0.26 1.45 8.25 -0.92 -3.16 115.22 117.77 1x9f n HIS 52 Ca 0.13 0.98 0.17 0.00 -0.26 0.00 0.00 57.72 58.74 1x9f n HIS 52 Cb 0.81 -4.95 0.93 0.00 1.12 0.00 0.00 29.99 27.90 1x9f n HIS 52 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1x9f h GLY 53 N -2.52 0.00 2.00 -1.41 0.00 -0.79 -1.27 103.07 99.08 1x9f h GLY 53 Ca -0.56 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1x9f h GLY 53 CO 0.54 0.00 -0.07 1.29 0.00 0.00 0.00 176.54 178.30 1x9f h ASP 54 N 0.00 0.00 -3.20 0.19 2.03 -1.87 -3.39 116.42 110.18 1x9f h ASP 54 Ca 0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 1x9f h ASP 54 Cb 0.00 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.10 1x9f h ASP 54 CO 0.00 0.07 -0.76 -0.62 -1.03 0.00 0.00 179.24 176.89 1x9f s ASP 55 N -5.83 3.24 0.00 4.15 2.15 -0.48 -5.00 116.67 114.91 1x9f s ASP 55 Ca 0.00 -1.06 0.24 0.00 0.43 0.00 0.00 52.55 52.16 1x9f s ASP 55 Cb 0.10 -0.64 1.26 0.00 -0.30 0.00 0.00 42.92 43.34 1x9f s ASP 55 CO 0.56 -0.34 1.81 0.35 -0.17 0.00 0.00 175.17 177.38 1x9f n THR 56 N 5.02 0.20 0.78 1.71 -2.24 -1.26 -1.97 114.28 116.52 1x9f n THR 56 Ca -0.07 0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1x9f n THR 56 Cb 0.45 -0.65 0.05 0.00 -2.10 0.00 0.00 70.33 68.08 1x9f n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x9f n SER 57 N -1.25 0.66 -4.77 3.42 7.64 -1.26 -4.56 113.62 113.51 1x9f n SER 57 Ca 0.12 -0.40 -0.41 0.00 1.01 0.00 0.00 58.87 59.19 1x9f n SER 57 Cb 0.18 0.71 -0.01 0.00 -1.01 0.00 0.00 64.21 64.08 1x9f n SER 57 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1x9f s HIS 58 N -3.10 2.74 0.29 1.43 2.46 -0.83 -4.85 115.29 113.43 1x9f s HIS 58 Ca 0.07 1.10 -0.01 0.00 0.47 0.00 0.00 55.06 56.69 1x9f s HIS 58 Cb 0.16 -3.96 0.45 0.00 -0.13 0.00 0.00 32.58 29.10 1x9f s HIS 58 CO 0.79 -2.92 1.91 -1.00 -2.47 0.00 0.00 174.74 171.06 1x9f h PRO 59 N 3.69 1.09 -0.24 2.88 0.13 -1.92 -1.00 132.00 136.63 1x9f h PRO 59 Ca -0.49 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 1x9f h PRO 59 Cb 1.23 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1x9f h PRO 59 CO 0.69 0.72 0.03 0.00 -0.23 0.00 0.00 178.00 179.21 1x9f h ALA 60 N 1.47 1.61 -0.07 -0.56 0.00 -1.90 -0.97 119.26 118.84 1x9f h ALA 60 Ca 0.39 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.93 1x9f h ALA 60 Cb 0.10 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1x9f h ALA 60 CO -0.13 0.30 -0.92 0.35 0.00 0.00 0.00 179.25 178.84 1x9f h PHE 61 N 0.34 1.05 -0.21 0.00 3.57 -1.18 -2.49 116.94 118.03 1x9f h PHE 61 Ca 0.08 -0.53 0.03 0.00 3.53 0.00 0.00 57.97 61.09 1x9f h PHE 61 Cb 0.19 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1x9f h PHE 61 CO 0.00 1.36 0.02 0.82 -2.23 0.00 0.00 178.31 178.28 1x9f h ILE 62 N 0.45 0.87 -0.45 1.41 1.08 -0.89 0.50 117.51 120.48 1x9f h ILE 62 Ca -0.10 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1x9f h ILE 62 Cb 1.56 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 36.04 1x9f h ILE 62 CO 0.18 0.02 0.15 0.00 -0.69 0.00 0.00 178.15 177.81 1x9f h ALA 63 N 1.17 0.54 -0.60 1.87 0.00 -1.21 0.39 119.26 121.42 1x9f h ALA 63 Ca 0.10 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1x9f h ALA 63 Cb 0.11 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1x9f h ALA 63 CO -0.15 -0.24 0.37 1.25 0.00 0.00 0.00 179.25 180.48 1x9f h HIS 64 N 0.32 0.69 -0.30 0.00 -0.00 -1.06 0.52 115.15 115.32 1x9f h HIS 64 Ca 0.21 0.02 -0.15 0.00 -0.00 0.00 0.00 60.37 60.46 1x9f h HIS 64 Cb 0.21 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1x9f h HIS 64 CO -0.16 0.40 -0.38 0.00 -0.00 0.00 0.00 177.93 177.79 1x9f h ALA 65 N 1.25 0.45 -0.86 5.26 0.00 0.40 -0.43 119.26 125.34 1x9f h ALA 65 Ca 0.24 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1x9f h ALA 65 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1x9f h ALA 65 CO -0.09 0.55 0.56 -0.44 0.00 0.00 0.00 179.25 179.83 1x9f h ASP 66 N 0.56 0.88 -0.45 0.00 3.45 -0.16 -1.56 116.42 119.14 1x9f h ASP 66 Ca 0.04 -0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.45 1x9f h ASP 66 Cb 0.97 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.53 1x9f h ASP 66 CO 0.09 0.59 0.12 -0.09 -1.57 0.00 0.00 179.24 178.38 1x9f h ARG 67 N 1.02 0.71 -0.06 3.56 2.43 -0.33 -0.58 114.38 121.13 1x9f h ARG 67 Ca 0.35 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1x9f h ARG 67 Cb 0.11 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1x9f h ARG 67 CO -0.12 0.70 0.03 0.28 -1.51 0.00 0.00 179.97 179.35 1x9f h VAL 68 N 0.59 1.08 0.00 0.20 2.07 -0.75 -1.62 116.25 117.83 1x9f h VAL 68 Ca 0.14 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1x9f h VAL 68 Cb 0.30 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1x9f h VAL 68 CO -0.00 0.07 -0.10 -0.07 0.02 0.00 0.00 177.57 177.49 1x9f h LEU 69 N -0.01 0.00 -0.47 2.57 3.38 -1.22 -0.69 115.31 118.87 1x9f h LEU 69 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1x9f h LEU 69 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1x9f h LEU 69 CO -0.00 0.10 -0.05 1.23 0.09 0.00 0.00 178.44 179.80 1x9f h GLY 70 N 0.84 0.94 0.88 0.83 0.00 -0.40 0.20 103.07 106.36 1x9f h GLY 70 Ca -0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 1x9f h GLY 70 CO 0.01 0.68 0.02 -1.33 0.00 0.00 0.00 176.54 175.92 1x9f h GLY 71 N 0.72 0.54 1.22 4.60 0.00 -0.46 -2.40 103.07 107.29 1x9f h GLY 71 Ca 0.13 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1x9f h GLY 71 CO 0.03 0.35 0.27 -2.00 0.00 0.00 0.00 176.54 175.19 1x9f h LEU 72 N 0.31 0.91 -0.78 3.11 5.85 -1.05 -2.24 115.31 121.41 1x9f h LEU 72 Ca 0.09 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1x9f h LEU 72 Cb 0.39 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1x9f h LEU 72 CO 0.01 0.82 0.50 -0.78 -0.34 0.00 0.00 178.44 178.64 1x9f h ASP 73 N 0.98 0.83 -0.35 1.25 1.82 -0.45 0.34 116.42 120.83 1x9f h ASP 73 Ca 0.23 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.86 1x9f h ASP 73 Cb 0.19 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 1x9f h ASP 73 CO -0.02 0.57 0.19 0.40 -1.61 0.00 0.00 179.24 178.77 1x9f h ILE 74 N 0.97 1.14 0.32 2.25 2.04 -0.92 -0.88 117.51 122.44 1x9f h ILE 74 Ca 0.31 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1x9f h ILE 74 Cb 0.01 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1x9f h ILE 74 CO -0.11 0.14 -0.16 0.00 0.00 0.00 0.00 178.15 178.03 1x9f h ALA 75 N 1.06 -0.43 -0.66 1.87 0.00 -0.93 -2.39 119.26 117.78 1x9f h ALA 75 Ca 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x9f h ALA 75 Cb 0.06 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1x9f h ALA 75 CO -0.02 -0.72 0.40 0.82 0.00 0.00 0.00 179.25 179.73 1x9f h ILE 76 N -0.48 1.19 0.00 0.00 2.04 -0.94 -2.38 117.51 116.94 1x9f h ILE 76 Ca -0.04 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1x9f h ILE 76 Cb 0.36 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1x9f h ILE 76 CO 0.07 0.20 -0.06 0.77 0.00 0.00 0.00 178.15 179.13 1x9f h SER 77 N 0.90 0.00 -0.22 1.72 4.64 -1.01 -2.51 113.55 117.07 1x9f h SER 77 Ca 0.24 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1x9f h SER 77 Cb -0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1x9f h SER 77 CO -0.05 0.06 -0.05 0.35 -0.87 0.00 0.00 176.83 176.27 1x9f n THR 78 N -3.56 2.29 0.12 2.95 -2.24 -0.91 -4.58 114.28 108.35 1x9f n THR 78 Ca -0.02 -2.32 0.16 0.00 -2.27 0.00 0.00 64.05 59.60 1x9f n THR 78 Cb 0.17 -0.27 0.70 0.00 -2.10 0.00 0.00 70.33 68.83 1x9f n THR 78 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1x9f h LEU 79 N 1.14 0.00 -0.55 3.22 3.38 -1.05 0.97 115.31 122.42 1x9f h LEU 79 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1x9f h LEU 79 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1x9f h LEU 79 CO 0.22 0.00 -0.06 -0.90 0.09 0.00 0.00 178.44 177.79 1x9f n ASP 80 N -4.32 0.92 -3.74 -0.43 5.75 -1.26 -4.41 116.55 109.04 1x9f n ASP 80 Ca 0.04 -1.12 -0.28 0.00 -0.01 0.00 0.00 54.79 53.42 1x9f n ASP 80 Cb 0.39 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.36 1x9f n ASP 80 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1x9f s GLN 81 N -2.17 1.97 0.27 0.11 -0.21 0.33 -5.00 119.66 114.97 1x9f s GLN 81 Ca 0.36 -2.94 0.01 0.00 0.02 0.00 0.00 55.36 52.81 1x9f s GLN 81 Cb 0.21 -2.79 0.58 0.00 1.00 0.00 0.00 33.01 32.01 1x9f s GLN 81 CO 0.40 -1.31 1.78 -1.00 -2.12 0.00 0.00 175.29 173.03 1x9f h PRO 82 N 5.50 0.70 -0.48 2.91 0.13 -1.77 -0.16 132.00 138.83 1x9f h PRO 82 Ca 0.18 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1x9f h PRO 82 Cb 0.80 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 1x9f h PRO 82 CO 0.61 0.46 0.24 0.00 -0.23 0.00 0.00 178.00 179.08 1x9f h ALA 83 N 1.57 0.62 -0.31 -0.56 0.00 -1.94 -0.88 119.26 117.76 1x9f h ALA 83 Ca 0.49 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1x9f h ALA 83 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1x9f h ALA 83 CO -0.35 0.18 -0.24 1.15 0.00 0.00 0.00 179.25 180.00 1x9f h THR 84 N 0.64 1.30 -0.41 0.00 2.02 -1.74 -2.86 112.91 111.86 1x9f h THR 84 Ca 0.17 -1.39 0.04 0.00 0.77 0.00 0.00 66.41 66.00 1x9f h THR 84 Cb 0.11 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1x9f h THR 84 CO -0.02 0.45 0.18 0.25 0.37 0.00 0.00 175.52 176.75 1x9f h LEU 85 N 0.46 0.24 -0.76 2.58 5.85 -0.86 -0.63 115.31 122.18 1x9f h LEU 85 Ca 0.06 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1x9f h LEU 85 Cb 0.79 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1x9f h LEU 85 CO 0.06 0.18 0.46 0.50 -0.34 0.00 0.00 178.44 179.30 1x9f h LYS 86 N 0.37 0.82 -0.37 1.25 1.63 -1.16 0.56 116.57 119.67 1x9f h LYS 86 Ca 0.18 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.86 1x9f h LYS 86 Cb 0.12 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1x9f h LYS 86 CO -0.15 0.54 -0.07 1.49 -3.45 0.00 0.00 179.45 177.82 1x9f h GLU 87 N 0.84 0.69 -0.24 1.90 4.57 -1.12 0.92 114.58 122.16 1x9f h GLU 87 Ca 0.33 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1x9f h GLU 87 Cb 0.15 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1x9f h GLU 87 CO -0.17 0.83 0.12 1.49 -1.18 0.00 0.00 179.01 180.10 1x9f h GLU 88 N 0.49 0.34 -0.76 1.92 4.57 -0.60 -2.00 114.58 118.54 1x9f h GLU 88 Ca 0.10 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1x9f h GLU 88 Cb 0.57 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 1x9f h GLU 88 CO 0.03 0.35 0.50 -0.07 -1.18 0.00 0.00 179.01 178.64 1x9f h LEU 89 N 0.25 0.81 -0.44 1.64 3.38 0.43 -1.20 115.31 120.18 1x9f h LEU 89 Ca 0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1x9f h LEU 89 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1x9f h LEU 89 CO -0.01 0.56 0.05 0.44 0.09 0.00 0.00 178.44 179.57 1x9f h ASP 90 N 0.94 0.71 -0.41 -0.43 3.32 -0.70 0.53 116.42 120.38 1x9f h ASP 90 Ca 0.30 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1x9f h ASP 90 Cb 0.03 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1x9f h ASP 90 CO -0.08 0.81 0.18 -0.74 -1.72 0.00 0.00 179.24 177.68 1x9f h HIS 91 N 0.59 0.32 -0.45 4.55 2.76 -0.65 -0.63 115.15 121.64 1x9f h HIS 91 Ca 0.13 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.24 1x9f h HIS 91 Cb 0.41 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 1x9f h HIS 91 CO 0.03 0.15 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.72 1x9f h LEU 92 N 0.37 0.80 -0.94 0.26 3.38 -1.11 -2.63 115.31 115.44 1x9f h LEU 92 Ca 0.18 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1x9f h LEU 92 Cb 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1x9f h LEU 92 CO -0.16 0.93 0.62 -0.61 0.09 0.00 0.00 178.44 179.31 1x9f h GLN 93 N 0.66 1.18 -0.78 1.13 4.15 -0.59 -0.90 115.11 119.97 1x9f h GLN 93 Ca 0.13 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1x9f h GLN 93 Cb 0.53 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 1x9f h GLN 93 CO 0.03 0.78 0.42 0.28 -1.93 0.00 0.00 178.83 178.41 1x9f h VAL 94 N 1.22 1.23 0.00 2.39 2.07 -0.95 0.64 116.25 122.85 1x9f h VAL 94 Ca 0.36 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1x9f h VAL 94 Cb -0.05 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1x9f h VAL 94 CO -0.11 0.26 0.00 1.56 0.02 0.00 0.00 177.57 179.31 1x9f h GLN 95 N 1.09 0.00 0.00 1.57 4.20 -0.84 -3.29 115.11 117.84 1x9f h GLN 95 Ca 0.27 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.79 1x9f h GLN 95 Cb 0.04 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1x9f h GLN 95 CO -0.04 0.00 -2.00 0.72 -0.67 0.00 0.00 178.83 176.83 1x9f n HIS 96 N -2.92 0.00 -1.90 2.96 8.25 -0.59 -4.87 115.22 116.15 1x9f n HIS 96 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1x9f n HIS 96 Cb 0.33 -0.66 -0.02 0.00 1.12 0.00 0.00 29.99 30.75 1x9f n HIS 96 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1x9f s GLU 97 N -2.66 4.20 0.00 -0.41 -1.05 0.17 -1.81 118.70 117.13 1x9f s GLU 97 Ca -0.07 2.44 0.00 0.00 -0.15 0.00 0.00 54.97 57.18 1x9f s GLU 97 Cb 0.07 -3.06 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 1x9f s GLU 97 CO 0.68 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.79 1x9f n GLY 98 N 2.05 3.08 3.77 -3.83 0.00 -1.26 -4.96 105.19 104.04 1x9f n GLY 98 Ca 0.07 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1x9f n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x9f s ARG 99 N 0.00 4.02 -1.18 1.61 0.52 -0.75 -4.92 118.95 118.25 1x9f s ARG 99 Ca 0.00 2.05 -0.15 0.00 -0.52 0.00 0.00 55.73 57.11 1x9f s ARG 99 Cb 0.00 -2.75 0.16 0.00 0.52 0.00 0.00 34.95 32.88 1x9f s ARG 99 CO 0.00 -0.41 1.41 0.15 0.02 0.00 0.00 175.30 176.48 1x9f s LYS 100 N -2.22 4.03 -0.42 3.54 1.02 -1.26 -4.94 119.74 119.50 1x9f s LYS 100 Ca 0.56 -2.46 -0.08 0.00 0.02 0.00 0.00 55.97 54.01 1x9f s LYS 100 Cb -0.36 -5.07 0.09 0.00 -0.52 0.00 0.00 37.83 31.97 1x9f s LYS 100 CO 0.45 -1.79 0.25 0.42 -0.92 0.00 0.00 175.35 173.76 1x9f s ILE 101 N 1.83 4.00 0.65 2.17 1.01 -1.26 -5.09 121.20 124.52 1x9f s ILE 101 Ca 0.42 -1.55 -0.17 0.00 0.00 0.00 0.00 60.65 59.36 1x9f s ILE 101 Cb -0.03 -3.51 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 1x9f s ILE 101 CO -0.01 -0.54 1.19 -2.16 0.00 0.00 0.00 174.94 173.42 1x9f s PRO 102 N 1.36 2.65 0.30 2.79 0.04 -1.26 -4.92 135.00 135.96 1x9f s PRO 102 Ca 0.04 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1x9f s PRO 102 Cb -0.23 -1.90 0.66 0.00 0.04 0.00 0.00 34.50 33.07 1x9f s PRO 102 CO 0.01 -1.43 1.81 -0.44 0.04 0.00 0.00 177.00 176.98 1x9f h ASP 103 N 0.32 0.85 -1.23 6.66 3.32 -2.00 0.72 116.42 125.06 1x9f h ASP 103 Ca -0.49 0.07 0.46 0.00 0.02 0.00 0.00 57.03 57.09 1x9f h ASP 103 Cb 1.29 -0.09 -0.16 0.00 0.22 0.00 0.00 39.33 40.59 1x9f h ASP 103 CO 0.53 0.38 0.75 -1.13 -1.72 0.00 0.00 179.24 178.04 1x9f h ASN 104 N 0.87 0.25 0.01 6.45 -1.24 -1.98 0.17 115.58 120.10 1x9f h ASN 104 Ca 0.54 0.20 -0.00 0.00 0.71 0.00 0.00 56.30 57.75 1x9f h ASN 104 Cb 0.71 0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.97 1x9f h ASN 104 CO -0.33 -0.34 -0.00 1.88 -1.29 0.00 0.00 177.43 177.35 1x9f h TYR 105 N 0.00 -0.01 -0.72 0.67 0.99 -1.20 -2.33 116.97 114.36 1x9f h TYR 105 Ca 0.87 -0.00 0.19 0.00 2.00 0.00 0.00 58.73 61.79 1x9f h TYR 105 Cb 2.61 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 40.31 1x9f h TYR 105 CO -0.01 0.80 0.51 0.74 -0.00 0.00 0.00 178.16 180.20 1x9f h PHE 106 N -0.92 0.15 -0.17 4.88 -1.00 -1.36 -0.97 116.94 117.55 1x9f h PHE 106 Ca -0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1x9f h PHE 106 Cb 0.82 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.33 1x9f h PHE 106 CO 0.22 0.05 -0.06 0.22 -1.61 0.00 0.00 178.31 177.13 1x9f h ASP 107 N 0.12 0.34 -0.69 2.17 3.58 -0.67 -1.86 116.42 119.41 1x9f h ASP 107 Ca 0.35 -0.38 -0.07 0.00 0.42 0.00 0.00 57.03 57.34 1x9f h ASP 107 Cb 1.21 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.14 1x9f h ASP 107 CO -0.04 0.65 0.15 0.00 -2.88 0.00 0.00 179.24 177.11 1x9f h ALA 108 N 0.70 0.91 -0.29 -0.78 0.00 -0.72 -2.42 119.26 116.67 1x9f h ALA 108 Ca 0.04 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1x9f h ALA 108 Cb 0.51 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1x9f h ALA 108 CO 0.02 0.65 0.07 0.35 0.00 0.00 0.00 179.25 180.34 1x9f h PHE 109 N 1.05 0.13 -0.65 0.00 3.04 -1.18 0.65 116.94 119.98 1x9f h PHE 109 Ca 0.21 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.23 1x9f h PHE 109 Cb 0.40 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.84 1x9f h PHE 109 CO 0.03 0.05 0.38 -0.22 -2.02 0.00 0.00 178.31 176.53 1x9f h LYS 110 N 0.19 0.70 -0.78 1.11 3.64 -1.17 0.93 116.57 121.19 1x9f h LYS 110 Ca 0.13 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1x9f h LYS 110 Cb 0.12 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1x9f h LYS 110 CO -0.16 0.46 0.42 1.15 -2.27 0.00 0.00 179.45 179.06 1x9f h THR 111 N 0.72 1.23 0.00 1.00 2.02 -0.90 -1.86 112.91 115.13 1x9f h THR 111 Ca 0.28 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1x9f h THR 111 Cb 0.12 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1x9f h THR 111 CO -0.15 0.26 -0.00 0.00 0.37 0.00 0.00 175.52 176.00 1x9f h ALA 112 N 1.22 -0.00 -0.37 6.16 0.00 -0.03 -0.61 119.26 125.63 1x9f h ALA 112 Ca 0.27 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1x9f h ALA 112 Cb 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1x9f h ALA 112 CO -0.04 -0.38 -0.20 0.82 0.00 0.00 0.00 179.25 179.45 1x9f h ILE 113 N -0.26 0.43 -0.28 0.00 2.04 -0.72 -0.13 117.51 118.59 1x9f h ILE 113 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1x9f h ILE 113 Cb 0.25 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1x9f h ILE 113 CO 0.00 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 178.17 1x9f h LEU 114 N -0.14 0.35 -0.03 1.44 4.07 -1.17 -0.00 115.31 119.83 1x9f h LEU 114 Ca 0.18 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 1x9f h LEU 114 Cb 0.42 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1x9f h LEU 114 CO -0.45 0.34 -0.09 -0.74 -1.08 0.00 0.00 178.44 176.42 1x9f h HIS 115 N 0.39 0.15 -0.41 1.13 2.76 -0.09 -0.65 115.15 118.42 1x9f h HIS 115 Ca 0.10 -0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 1x9f h HIS 115 Cb 0.12 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 1x9f h HIS 115 CO 0.00 0.71 -0.03 0.28 -1.30 0.00 0.00 177.93 177.60 1x9f h VAL 116 N -0.46 1.27 -0.44 5.26 2.07 -0.90 -2.16 116.25 120.88 1x9f h VAL 116 Ca -0.00 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1x9f h VAL 116 Cb 0.72 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1x9f h VAL 116 CO 0.02 0.36 0.27 0.58 0.02 0.00 0.00 177.57 178.83 1x9f h VAL 117 N 0.57 1.13 -0.77 2.57 2.07 -1.03 0.32 116.25 121.12 1x9f h VAL 117 Ca 0.11 -0.29 0.12 0.00 0.82 0.00 0.00 66.70 67.45 1x9f h VAL 117 Cb 0.53 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 1x9f h VAL 117 CO 0.03 0.13 0.39 0.00 0.02 0.00 0.00 177.57 178.14 1x9f h ALA 118 N 1.13 1.11 -0.05 1.67 0.00 -1.00 -1.42 119.26 120.69 1x9f h ALA 118 Ca 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1x9f h ALA 118 Cb -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1x9f h ALA 118 CO -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.14 1x9f h ALA 119 N 1.49 0.07 -0.92 0.00 0.00 -0.88 0.43 119.26 119.44 1x9f h ALA 119 Ca 0.40 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.29 1x9f h ALA 119 Cb 0.49 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 1x9f h ALA 119 CO -0.31 -0.22 0.50 1.96 0.00 0.00 0.00 179.25 181.17 1x9f h GLN 120 N -0.26 0.60 -0.01 0.00 1.08 -0.61 -2.95 115.11 112.95 1x9f h GLN 120 Ca 0.01 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1x9f h GLN 120 Cb 0.40 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1x9f h GLN 120 CO 0.00 0.40 -0.20 1.28 -0.95 0.00 0.00 178.83 179.36 1x9f n LEU 121 N -4.87 1.83 0.00 1.46 4.77 -0.57 -4.98 117.00 114.65 1x9f n LEU 121 Ca 0.21 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1x9f n LEU 121 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1x9f n LEU 121 CO 0.19 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1x9f n GLY 122 N 1.04 4.22 0.22 -0.72 0.00 0.14 -2.26 105.19 107.82 1x9f n GLY 122 Ca 0.07 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1x9f n GLY 122 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x9f h ARG 123 N 0.00 0.54 -3.46 1.61 3.08 -1.94 -3.41 114.38 110.81 1x9f h ARG 123 Ca 0.00 -0.29 -0.69 0.00 0.07 0.00 0.00 59.98 59.07 1x9f h ARG 123 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1x9f h ARG 123 CO 0.00 0.88 3.52 0.00 -1.07 0.00 0.00 179.97 183.30 1x9f s TYR 125 N 2.61 -0.28 -0.35 0.00 1.13 -1.26 -4.90 117.35 114.30 1x9f s TYR 125 Ca 0.59 0.16 0.01 0.00 -1.41 0.00 0.00 57.07 56.42 1x9f s TYR 125 Cb 0.16 0.27 0.09 0.00 -1.10 0.00 0.00 41.96 41.38 1x9f s TYR 125 CO -0.07 -0.64 0.08 0.34 -2.51 0.00 0.00 175.55 172.75 1x9f s ASP 126 N -2.29 4.93 0.23 -0.18 -1.08 -1.26 -4.98 116.67 112.03 1x9f s ASP 126 Ca -0.02 -1.89 -0.08 0.00 -0.52 0.00 0.00 52.55 50.04 1x9f s ASP 126 Cb 0.00 -1.70 0.24 0.00 -1.46 0.00 0.00 42.92 40.00 1x9f s ASP 126 CO -0.06 -0.40 1.88 -0.09 0.52 0.00 0.00 175.17 177.02 1x9f h ARG 127 N 7.84 1.05 -0.52 4.34 2.43 -1.97 -1.03 114.38 126.52 1x9f h ARG 127 Ca -0.11 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 1x9f h ARG 127 Cb 1.04 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 1x9f h ARG 127 CO 0.58 0.69 -0.01 0.93 -1.51 0.00 0.00 179.97 180.65 1x9f h GLU 128 N 1.08 0.88 -0.28 0.20 5.08 -1.99 0.19 114.58 119.74 1x9f h GLU 128 Ca 0.33 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 1x9f h GLU 128 Cb -0.03 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1x9f h GLU 128 CO -0.10 0.88 -0.37 0.00 -1.00 0.00 0.00 179.01 178.41 1x9f h ALA 129 N 1.17 0.42 0.02 3.43 0.00 -1.82 -2.44 119.26 120.05 1x9f h ALA 129 Ca 0.15 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1x9f h ALA 129 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1x9f h ALA 129 CO 0.02 0.51 -0.01 -1.49 0.00 0.00 0.00 179.25 178.28 1x9f h TRP 130 N 0.49 -0.03 -0.62 0.00 4.06 -1.03 -2.12 115.95 116.70 1x9f h TRP 130 Ca 0.03 -0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.09 1x9f h TRP 130 Cb 0.96 0.01 -0.08 0.00 -1.00 0.00 0.00 29.16 29.05 1x9f h TRP 130 CO 0.08 0.17 0.18 0.22 -3.56 0.00 0.00 178.44 175.52 1x9f h ASP 131 N -0.22 0.10 -0.46 -3.49 3.58 -0.65 0.20 116.42 115.48 1x9f h ASP 131 Ca -0.00 0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 1x9f h ASP 131 Cb 0.21 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1x9f h ASP 131 CO 0.00 0.05 0.08 0.00 -2.88 0.00 0.00 179.24 176.50 1x9f h ALA 132 N 1.47 0.61 0.01 -0.78 0.00 -1.40 -1.98 119.26 117.20 1x9f h ALA 132 Ca 0.33 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 1x9f h ALA 132 Cb 0.47 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1x9f h ALA 132 CO -0.38 0.32 -0.95 0.00 0.00 0.00 0.00 179.25 178.25 1x9f h ILE 134 N 0.16 1.27 -0.06 0.00 1.08 -0.63 -2.19 117.51 117.13 1x9f h ILE 134 Ca -0.07 -1.22 0.03 0.00 -0.39 0.00 0.00 64.86 63.21 1x9f h ILE 134 Cb 1.59 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 1x9f h ILE 134 CO 0.15 0.44 -0.16 0.44 -0.69 0.00 0.00 178.15 178.33 1x9f h ASP 135 N 0.94 -0.50 -0.96 1.72 5.19 -1.31 0.62 116.42 122.12 1x9f h ASP 135 Ca 0.15 0.08 0.13 0.00 -0.62 0.00 0.00 57.03 56.77 1x9f h ASP 135 Cb 0.63 0.22 -0.08 0.00 0.18 0.00 0.00 39.33 40.28 1x9f h ASP 135 CO 0.04 -0.22 0.61 -0.74 -3.12 0.00 0.00 179.24 175.81 1x9f h HIS 136 N -0.24 1.03 -0.14 4.55 2.76 -1.26 0.10 115.15 121.96 1x9f h HIS 136 Ca 0.07 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.13 1x9f h HIS 136 Cb 0.34 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1x9f h HIS 136 CO -0.25 0.40 -0.47 0.82 -1.30 0.00 0.00 177.93 177.13 1x9f h ILE 137 N 0.89 1.35 -0.19 6.26 2.04 -0.78 -3.22 117.51 123.85 1x9f h ILE 137 Ca 0.48 -1.75 -0.09 0.00 1.00 0.00 0.00 64.86 64.50 1x9f h ILE 137 Cb 0.57 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1x9f h ILE 137 CO -0.25 0.53 -0.26 -0.33 0.00 0.00 0.00 178.15 177.84 1x9f h GLU 138 N 0.19 0.37 -0.78 2.37 5.08 -0.25 -2.57 114.58 118.99 1x9f h GLU 138 Ca -0.02 -0.13 0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1x9f h GLU 138 Cb 1.09 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 1x9f h GLU 138 CO 0.10 0.61 0.51 -0.44 -1.00 0.00 0.00 179.01 178.79 1x9f h ASP 139 N 0.33 0.55 1.78 1.42 3.32 -0.84 -0.48 116.42 122.50 1x9f h ASP 139 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1x9f h ASP 139 Cb 0.64 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1x9f h ASP 139 CO 0.05 0.30 0.00 1.23 -1.72 0.00 0.00 179.24 179.10 1x9f h GLY 140 N 0.60 0.00 0.71 2.75 0.00 -1.50 -0.84 103.07 104.79 1x9f h GLY 140 Ca 0.37 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.35 1x9f h GLY 140 CO -0.14 0.00 -1.92 -2.22 0.00 0.00 0.00 176.54 172.26 1x9f h ILE 141 N 0.00 0.72 -0.35 2.60 2.04 -1.16 -3.35 117.51 118.00 1x9f h ILE 141 Ca 0.00 -2.40 -0.09 0.00 1.00 0.00 0.00 64.86 63.37 1x9f h ILE 141 Cb 0.89 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 1x9f h ILE 141 CO 0.00 0.88 -0.12 0.11 0.00 0.00 0.00 178.15 179.02 1x9f h LYS 142 N 0.08 0.71 0.00 2.37 1.57 -1.22 -3.37 116.57 116.70 1x9f h LYS 142 Ca -0.40 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 1x9f h LYS 142 Cb 2.05 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1x9f h LYS 142 CO 0.11 0.89 0.00 0.41 -0.57 0.00 0.00 179.45 180.29 1x9f n GLY 143 N -0.12 1.99 3.92 3.86 0.00 -0.32 -4.97 105.19 109.54 1x9f n GLY 143 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1x9f n GLY 143 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x9f s HIS 144 N -3.12 3.46 -0.86 1.61 4.02 -1.23 -5.00 115.29 114.16 1x9f s HIS 144 Ca 0.00 0.62 0.00 0.00 1.02 0.00 0.00 55.06 56.70 1x9f s HIS 144 Cb 0.00 -2.29 0.00 0.00 -1.02 0.00 0.00 32.58 29.27 1x9f s HIS 144 CO 0.00 -0.30 0.22 0.72 1.02 0.00 0.00 174.74 176.40