#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 0.40 0.05 1.97 2.20 -1.26 -5.10 119.74 118.00 1x9f s LYS 2 Ca 0.00 0.45 0.01 0.00 -0.36 0.00 0.00 55.97 56.07 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 -0.05 0.13 -0.65 -0.36 0.00 0.00 175.35 174.41 1x9f s GLN 3 N 0.10 3.13 -1.15 4.03 -0.21 -1.26 -4.56 119.66 119.74 1x9f s GLN 3 Ca 0.04 -0.55 -0.19 0.00 0.02 0.00 0.00 55.36 54.68 1x9f s GLN 3 Cb -0.05 -2.87 -0.04 0.00 1.00 0.00 0.00 33.01 31.05 1x9f s GLN 3 CO -0.08 0.60 1.99 0.00 -2.12 0.00 0.00 175.29 175.68 1x9f n GLY 5 N 4.75 -0.07 0.30 0.00 0.00 -1.26 -4.77 105.19 104.15 1x9f n GLY 5 Ca 0.49 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.70 0.38 -0.49 1.61 2.07 -1.95 0.65 116.25 117.82 1x9f h VAL 6 Ca -0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1x9f h VAL 6 Cb 0.16 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1x9f h VAL 6 CO 0.04 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.69 1x9f h LEU 7 N -0.39 0.73 -0.54 2.57 4.07 -1.95 0.03 115.31 119.82 1x9f h LEU 7 Ca 0.08 -0.22 -0.14 0.00 0.08 0.00 0.00 57.88 57.68 1x9f h LEU 7 Cb 0.50 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1x9f h LEU 7 CO -0.27 0.76 -0.32 1.05 -1.08 0.00 0.00 178.44 178.58 1x9f h GLU 8 N 0.66 0.84 -0.55 1.13 9.09 -1.85 -1.05 114.58 122.84 1x9f h GLU 8 Ca 0.15 -0.40 0.04 0.00 0.05 0.00 0.00 59.36 59.21 1x9f h GLU 8 Cb 0.31 -0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 27.36 1x9f h GLU 8 CO -0.00 1.03 0.30 0.78 0.05 0.00 0.00 179.01 181.18 1x9f h GLY 9 N 0.90 0.79 0.53 1.06 0.00 -0.68 -0.80 103.07 104.86 1x9f h GLY 9 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.21 1x9f h GLY 9 CO 0.08 0.15 -0.29 1.41 0.00 0.00 0.00 176.54 177.88 1x9f h LEU 10 N 0.58 -0.83 -0.60 3.11 4.07 -0.72 -1.80 115.31 119.12 1x9f h LEU 10 Ca 0.24 0.09 0.02 0.00 0.08 0.00 0.00 57.88 58.31 1x9f h LEU 10 Cb 0.11 0.31 -0.04 0.00 1.08 0.00 0.00 40.66 42.13 1x9f h LEU 10 CO -0.15 -0.39 0.38 0.50 -1.08 0.00 0.00 178.44 177.70 1x9f h LYS 11 N -0.53 0.74 -0.67 1.13 3.64 -0.95 -2.69 116.57 117.24 1x9f h LYS 11 Ca 0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1x9f h LYS 11 Cb 0.55 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1x9f h LYS 11 CO -0.15 0.49 0.33 0.28 -2.27 0.00 0.00 179.45 178.13 1x9f h VAL 12 N 0.76 1.22 -0.45 2.00 2.07 -1.05 -1.04 116.25 119.75 1x9f h VAL 12 Ca 0.24 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.20 1x9f h VAL 12 Cb -0.02 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1x9f h VAL 12 CO -0.08 0.26 0.16 0.11 0.02 0.00 0.00 177.57 178.03 1x9f h LYS 13 N 0.92 0.32 0.13 1.57 1.57 -1.04 0.43 116.57 120.47 1x9f h LYS 13 Ca 0.23 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1x9f h LYS 13 Cb 0.10 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1x9f h LYS 13 CO -0.03 0.21 -0.06 0.77 -0.57 0.00 0.00 179.45 179.77 1x9f h SER 14 N 0.33 -0.15 -0.25 0.86 0.02 -1.29 -0.94 113.55 112.13 1x9f h SER 14 Ca 0.21 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1x9f h SER 14 Cb 0.21 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1x9f h SER 14 CO -0.22 0.13 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.24 1x9f h GLU 15 N -0.44 0.58 -0.15 3.45 5.08 -1.01 -0.88 114.58 121.20 1x9f h GLU 15 Ca -0.02 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1x9f h GLU 15 Cb 0.35 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1x9f h GLU 15 CO 0.03 0.62 0.06 2.35 -1.00 0.00 0.00 179.01 181.07 1x9f h TRP 16 N 0.55 0.23 -0.55 4.33 2.91 -0.13 -1.22 115.95 122.07 1x9f h TRP 16 Ca 0.11 -0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.22 1x9f h TRP 16 Cb 0.39 -0.07 -0.11 0.00 -0.51 0.00 0.00 29.16 28.86 1x9f h TRP 16 CO 0.01 0.31 -0.31 0.78 -1.03 0.00 0.00 178.44 178.20 1x9f h GLY 17 N 0.08 -0.07 1.41 2.65 0.00 -0.24 0.26 103.07 107.16 1x9f h GLY 17 Ca 0.05 0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.74 1x9f h GLY 17 CO -0.00 -0.21 0.16 3.21 0.00 0.00 0.00 176.54 179.69 1x9f h ARG 18 N -0.16 0.75 0.04 4.80 3.08 -1.06 -3.24 114.38 118.59 1x9f h ARG 18 Ca 0.23 -0.13 -0.26 0.00 0.07 0.00 0.00 59.98 59.89 1x9f h ARG 18 Cb 0.54 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1x9f h ARG 18 CO -0.64 0.65 -1.34 0.00 -1.07 0.00 0.00 179.97 177.57 1x9f h ALA 19 N 1.44 0.42 -0.23 0.04 0.00 -0.20 -3.38 119.26 117.36 1x9f h ALA 19 Ca 0.17 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1x9f h ALA 19 Cb 0.22 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1x9f h ALA 19 CO -0.01 1.29 0.15 -0.92 0.00 0.00 0.00 179.25 179.75 1x9f h TYR 20 N 0.02 0.29 -1.46 0.00 -0.00 -0.55 -3.48 116.97 111.79 1x9f h TYR 20 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.58 1x9f h TYR 20 Cb 1.91 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 38.55 1x9f h TYR 20 CO 0.02 0.20 0.00 0.41 -0.00 0.00 0.00 178.16 178.79 1x9f n GLY 21 N -1.11 -0.87 3.51 1.82 0.00 -1.26 -4.35 105.19 102.93 1x9f n GLY 21 Ca -0.03 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 0.34 0.99 1.61 1.04 -1.26 -4.69 113.70 107.74 1x9f s SER 22 Ca 0.00 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1x9f s SER 22 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1x9f s SER 22 CO 0.00 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1x9f n GLY 23 N -0.45 2.98 0.30 7.32 0.00 -1.26 -2.43 105.19 111.65 1x9f n GLY 23 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 0.76 -0.71 1.61 3.86 -2.00 -1.29 115.15 117.39 1x9f h HIS 24 Ca 0.00 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1x9f h HIS 24 Cb 0.00 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 1x9f h HIS 24 CO 0.00 0.64 0.46 -0.44 0.86 0.00 0.00 177.93 179.45 1x9f h ASP 25 N 0.73 0.82 -0.31 2.45 3.32 -1.87 -1.90 116.42 119.66 1x9f h ASP 25 Ca 0.17 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 1x9f h ASP 25 Cb 0.25 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1x9f h ASP 25 CO -0.01 0.61 -0.38 -0.09 -1.72 0.00 0.00 179.24 177.65 1x9f h ARG 26 N 0.97 0.80 -0.18 3.56 2.43 -0.95 -0.20 114.38 120.82 1x9f h ARG 26 Ca 0.26 -0.45 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1x9f h ARG 26 Cb -0.09 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1x9f h ARG 26 CO -0.05 1.09 0.03 0.93 -1.51 0.00 0.00 179.97 180.45 1x9f h GLU 27 N 0.57 0.10 -0.69 0.20 5.08 -1.22 -0.22 114.58 118.41 1x9f h GLU 27 Ca 0.04 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1x9f h GLU 27 Cb 0.98 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1x9f h GLU 27 CO 0.09 0.07 0.45 0.00 -1.00 0.00 0.00 179.01 178.62 1x9f h ALA 28 N 1.13 0.89 -0.60 3.43 0.00 -1.27 -1.30 119.26 121.52 1x9f h ALA 28 Ca 0.08 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1x9f h ALA 28 Cb 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1x9f h ALA 28 CO -0.11 0.26 0.40 0.35 0.00 0.00 0.00 179.25 180.16 1x9f h PHE 29 N 0.90 0.76 -0.49 0.00 3.57 -0.61 0.22 116.94 121.29 1x9f h PHE 29 Ca 0.26 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1x9f h PHE 29 Cb -0.06 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1x9f h PHE 29 CO -0.03 0.47 0.22 0.77 -2.23 0.00 0.00 178.31 177.51 1x9f h SER 30 N 0.82 0.66 -0.44 0.41 0.02 -0.66 -2.67 113.55 111.69 1x9f h SER 30 Ca 0.22 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 1x9f h SER 30 Cb -0.09 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1x9f h SER 30 CO -0.05 0.62 -0.30 1.56 -1.14 0.00 0.00 176.83 177.53 1x9f h GLN 31 N 0.65 0.97 -0.95 3.45 4.20 -0.93 -2.72 115.11 119.79 1x9f h GLN 31 Ca 0.17 -0.46 0.03 0.00 0.06 0.00 0.00 58.65 58.44 1x9f h GLN 31 Cb 0.15 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 1x9f h GLN 31 CO -0.02 1.13 0.63 0.00 -0.67 0.00 0.00 178.83 179.90 1x9f h ALA 32 N 0.83 1.36 -0.27 3.87 0.00 -0.85 0.38 119.26 124.58 1x9f h ALA 32 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1x9f h ALA 32 Cb 0.88 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1x9f h ALA 32 CO 0.08 0.56 -0.11 0.82 0.00 0.00 0.00 179.25 180.60 1x9f h ILE 33 N 1.23 1.29 -0.19 0.00 2.04 -1.37 -1.56 117.51 118.95 1x9f h ILE 33 Ca 0.37 -1.18 -0.13 0.00 1.00 0.00 0.00 64.86 64.92 1x9f h ILE 33 Cb -0.05 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1x9f h ILE 33 CO -0.10 0.37 -0.44 -0.50 0.00 0.00 0.00 178.15 177.48 1x9f h TRP 34 N 0.30 0.56 -0.55 1.37 4.06 -1.14 -1.17 115.95 119.37 1x9f h TRP 34 Ca 0.06 -0.17 -0.07 0.00 2.06 0.00 0.00 58.89 60.78 1x9f h TRP 34 Cb 0.61 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 1x9f h TRP 34 CO 0.06 0.82 0.07 0.00 -3.56 0.00 0.00 178.44 175.83 1x9f h ARG 35 N 0.38 0.92 -0.33 0.49 3.08 -0.94 -0.21 114.38 117.77 1x9f h ARG 35 Ca 0.03 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1x9f h ARG 35 Cb 0.92 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1x9f h ARG 35 CO 0.08 0.90 0.02 0.00 -1.07 0.00 0.00 179.97 179.90 1x9f h ALA 36 N 0.98 1.43 0.08 0.04 0.00 -1.01 0.64 119.26 121.42 1x9f h ALA 36 Ca 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x9f h ALA 36 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1x9f h ALA 36 CO 0.01 0.41 -0.04 1.15 0.00 0.00 0.00 179.25 180.78 1x9f h THR 37 N 0.48 1.17 -0.97 0.00 2.02 -0.87 -2.91 112.91 111.82 1x9f h THR 37 Ca 0.11 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.37 1x9f h THR 37 Cb 0.28 1.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.42 1x9f h THR 37 CO 0.01 0.24 0.63 -0.26 0.37 0.00 0.00 175.52 176.50 1x9f h PHE 38 N -0.56 1.17 -0.67 3.16 0.05 -0.89 0.17 116.94 119.37 1x9f h PHE 38 Ca -0.01 0.03 0.01 0.00 3.82 0.00 0.00 57.97 61.82 1x9f h PHE 38 Cb 0.47 -0.38 -0.03 0.00 2.00 0.00 0.00 35.95 38.00 1x9f h PHE 38 CO 0.07 0.62 0.45 0.00 -0.18 0.00 0.00 178.31 179.27 1x9f h ALA 39 N 1.43 1.54 0.21 2.45 0.00 -0.88 -1.03 119.26 122.98 1x9f h ALA 39 Ca 0.41 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.94 1x9f h ALA 39 Cb 0.12 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.66 1x9f h ALA 39 CO -0.16 0.42 -1.62 0.37 0.00 0.00 0.00 179.25 178.27 1x9f h GLN 40 N 0.89 0.43 -2.20 0.00 4.15 -1.12 -3.41 115.11 113.86 1x9f h GLN 40 Ca 0.25 -0.74 -0.58 0.00 0.77 0.00 0.00 58.65 58.34 1x9f h GLN 40 Cb -0.08 0.28 -0.40 0.00 0.21 0.00 0.00 27.48 27.48 1x9f h GLN 40 CO -0.06 1.35 -0.85 1.33 -1.93 0.00 0.00 178.83 178.67 1x9f n VAL 41 N -3.62 0.63 0.24 2.39 0.24 0.52 -4.96 118.33 113.77 1x9f n VAL 41 Ca -0.21 -4.50 0.18 0.00 -2.04 0.00 0.00 64.34 57.78 1x9f n VAL 41 Cb 1.08 -2.00 0.88 0.00 -1.47 0.00 0.00 33.84 32.33 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 4.34 0.00 -0.96 7.34 0.13 -1.42 0.97 132.00 142.40 1x9f h PRO 42 Ca 0.15 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.45 1x9f h PRO 42 Cb 0.79 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.83 1x9f h PRO 42 CO 0.62 0.00 0.61 0.93 -0.23 0.00 0.00 178.00 179.93 1x9f h GLU 43 N 0.00 0.67 0.00 0.86 4.39 -1.93 -2.74 114.58 115.83 1x9f h GLU 43 Ca 0.07 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1x9f h GLU 43 Cb 0.47 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1x9f h GLU 43 CO -0.00 0.44 -0.17 0.66 -1.16 0.00 0.00 179.01 178.79 1x9f h SER 44 N 0.69 0.00 -1.03 1.42 4.64 -1.17 -3.12 113.55 114.98 1x9f h SER 44 Ca 0.52 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 62.12 1x9f h SER 44 Cb 0.89 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.85 1x9f h SER 44 CO -0.28 0.17 0.62 -0.09 -0.87 0.00 0.00 176.83 176.37 1x9f h ARG 45 N 0.00 0.42 0.00 4.77 2.43 -1.64 -0.08 114.38 120.29 1x9f h ARG 45 Ca -0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1x9f h ARG 45 Cb 0.35 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1x9f h ARG 45 CO 0.02 0.28 -0.02 0.66 -1.51 0.00 0.00 179.97 179.40 1x9f h SER 46 N 0.43 0.00 0.60 -3.80 4.64 -1.76 -1.60 113.55 112.06 1x9f h SER 46 Ca 0.68 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.99 1x9f h SER 46 Cb 1.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1x9f h SER 46 CO -0.48 0.02 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.38 1x9f h LEU 47 N 0.00 0.00 -3.34 5.97 4.07 -1.24 -3.22 115.31 117.55 1x9f h LEU 47 Ca -0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 1x9f h LEU 47 Cb 0.11 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.80 1x9f h LEU 47 CO 0.00 0.05 0.01 0.49 -1.08 0.00 0.00 178.44 177.91 1x9f n PHE 48 N -3.24 1.13 -0.21 1.13 3.01 -0.60 -4.61 117.46 114.07 1x9f n PHE 48 Ca -0.01 -1.16 -0.04 0.00 1.01 0.00 0.00 57.45 57.25 1x9f n PHE 48 Cb 0.24 -0.41 0.14 0.00 -0.01 0.00 0.00 39.48 39.44 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 1.55 1.00 0.00 -1.08 1.63 -1.68 0.32 116.57 118.31 1x9f h LYS 49 Ca 0.11 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1x9f h LYS 49 Cb 1.61 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 33.08 1x9f h LYS 49 CO 0.33 0.84 -0.02 -0.09 -3.45 0.00 0.00 179.45 177.06 1x9f h ARG 50 N 0.97 0.00 -0.13 1.90 2.43 -1.89 -2.29 114.38 115.38 1x9f h ARG 50 Ca 0.22 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1x9f h ARG 50 Cb 0.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1x9f h ARG 50 CO -0.01 0.02 -0.09 1.55 -1.51 0.00 0.00 179.97 179.93 1x9f n VAL 51 N -3.55 2.16 -3.32 0.20 3.14 -0.66 -4.97 118.33 111.33 1x9f n VAL 51 Ca -0.03 -2.38 -0.22 0.00 -2.96 0.00 0.00 64.34 58.75 1x9f n VAL 51 Cb 0.12 -0.26 0.06 0.00 -1.06 0.00 0.00 33.84 32.70 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 -1.08 -2.40 0.31 1.45 8.25 -0.86 -2.80 115.22 118.09 1x9f n HIS 52 Ca 0.21 0.78 0.18 0.00 -0.26 0.00 0.00 57.72 58.63 1x9f n HIS 52 Cb 0.78 -4.64 0.96 0.00 1.12 0.00 0.00 29.99 28.21 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 -2.08 0.00 1.95 -1.41 0.00 -0.61 -0.25 103.07 100.66 1x9f h GLY 53 Ca -0.53 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.81 1x9f h GLY 53 CO 0.53 0.00 0.02 1.29 0.00 0.00 0.00 176.54 178.38 1x9f h ASP 54 N 0.00 0.00 -3.12 0.19 2.03 -1.85 -3.38 116.42 110.29 1x9f h ASP 54 Ca 0.02 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.76 1x9f h ASP 54 Cb 0.43 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.53 1x9f h ASP 54 CO -0.00 0.00 -0.76 -0.62 -1.03 0.00 0.00 179.24 176.83 1x9f s ASP 55 N -6.20 3.69 0.00 4.15 2.15 -0.11 -5.00 116.67 115.36 1x9f s ASP 55 Ca -0.05 -1.39 0.14 0.00 0.43 0.00 0.00 52.55 51.69 1x9f s ASP 55 Cb 0.15 -0.71 0.71 0.00 -0.30 0.00 0.00 42.92 42.77 1x9f s ASP 55 CO 0.56 -0.39 1.40 0.35 -0.17 0.00 0.00 175.17 176.91 1x9f n THR 56 N 4.96 0.65 0.76 1.71 -2.24 -1.26 -1.65 114.28 117.22 1x9f n THR 56 Ca -0.04 0.16 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1x9f n THR 56 Cb 0.43 -0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.31 0.70 -4.75 3.42 7.64 -1.26 -4.51 113.62 113.54 1x9f n SER 57 Ca 0.06 -0.53 -0.41 0.00 1.01 0.00 0.00 58.87 59.00 1x9f n SER 57 Cb 0.12 0.91 -0.01 0.00 -1.01 0.00 0.00 64.21 64.22 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 -3.11 2.76 0.46 1.43 2.46 -0.66 -4.83 115.29 113.79 1x9f s HIS 58 Ca 0.06 0.88 0.14 0.00 0.47 0.00 0.00 55.06 56.60 1x9f s HIS 58 Cb 0.16 -4.03 1.08 0.00 -0.13 0.00 0.00 32.58 29.65 1x9f s HIS 58 CO 0.82 -3.38 2.04 -1.00 -2.47 0.00 0.00 174.74 170.75 1x9f h PRO 59 N 4.56 0.30 -0.07 2.88 0.13 -1.92 0.53 132.00 138.41 1x9f h PRO 59 Ca -0.48 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 1x9f h PRO 59 Cb 1.22 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1x9f h PRO 59 CO 0.77 0.20 -0.47 0.00 -0.23 0.00 0.00 178.00 178.27 1x9f h ALA 60 N 1.78 1.08 -0.02 -0.56 0.00 -1.90 -1.67 119.26 117.97 1x9f h ALA 60 Ca 0.18 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 1x9f h ALA 60 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1x9f h ALA 60 CO -0.04 0.63 -0.91 0.35 0.00 0.00 0.00 179.25 179.28 1x9f h PHE 61 N 0.14 0.63 -0.10 0.00 3.57 -0.77 -2.49 116.94 117.92 1x9f h PHE 61 Ca 0.01 -0.33 0.02 0.00 3.53 0.00 0.00 57.97 61.19 1x9f h PHE 61 Cb 0.89 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1x9f h PHE 61 CO 0.01 1.14 -0.00 0.82 -2.23 0.00 0.00 178.31 178.05 1x9f h ILE 62 N 0.25 0.93 -0.40 1.41 1.08 -1.06 0.35 117.51 120.08 1x9f h ILE 62 Ca -0.07 -0.01 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 1x9f h ILE 62 Cb 1.53 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 36.11 1x9f h ILE 62 CO 0.16 0.01 0.01 0.00 -0.69 0.00 0.00 178.15 177.63 1x9f h ALA 63 N 1.09 0.37 -0.55 1.87 0.00 -1.33 0.86 119.26 121.56 1x9f h ALA 63 Ca 0.05 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1x9f h ALA 63 Cb 0.06 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1x9f h ALA 63 CO -0.08 -0.39 0.34 1.25 0.00 0.00 0.00 179.25 180.37 1x9f h HIS 64 N 0.11 0.65 -0.62 0.00 -0.00 -1.16 -0.60 115.15 113.53 1x9f h HIS 64 Ca 0.19 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.51 1x9f h HIS 64 Cb 0.27 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 1x9f h HIS 64 CO -0.26 0.38 0.09 0.00 -0.00 0.00 0.00 177.93 178.14 1x9f h ALA 65 N 1.23 0.83 -0.67 5.26 0.00 -0.07 -0.62 119.26 125.22 1x9f h ALA 65 Ca 0.22 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1x9f h ALA 65 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1x9f h ALA 65 CO -0.08 0.60 0.18 -0.44 0.00 0.00 0.00 179.25 179.50 1x9f h ASP 66 N 0.95 1.01 -0.61 0.00 3.45 -0.73 -2.03 116.42 118.47 1x9f h ASP 66 Ca 0.19 -0.23 0.02 0.00 0.43 0.00 0.00 57.03 57.44 1x9f h ASP 66 Cb 0.44 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.91 1x9f h ASP 66 CO 0.01 0.98 0.38 -0.09 -1.57 0.00 0.00 179.24 178.95 1x9f h ARG 67 N 1.00 0.74 0.54 3.56 2.43 -0.84 0.37 114.38 122.19 1x9f h ARG 67 Ca 0.21 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1x9f h ARG 67 Cb 0.35 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1x9f h ARG 67 CO -0.00 0.49 -0.29 0.28 -1.51 0.00 0.00 179.97 178.94 1x9f h VAL 68 N 0.76 0.40 0.00 0.20 2.07 -0.95 -1.40 116.25 117.33 1x9f h VAL 68 Ca 0.24 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 1x9f h VAL 68 Cb -0.02 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1x9f h VAL 68 CO -0.08 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.38 1x9f h LEU 69 N -0.77 0.00 -0.37 2.57 3.38 -1.19 0.80 115.31 119.73 1x9f h LEU 69 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1x9f h LEU 69 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1x9f h LEU 69 CO 0.09 0.06 0.19 1.23 0.09 0.00 0.00 178.44 180.10 1x9f h GLY 70 N 0.36 0.56 0.98 0.83 0.00 0.29 0.11 103.07 106.19 1x9f h GLY 70 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1x9f h GLY 70 CO 0.01 0.25 -0.25 -1.33 0.00 0.00 0.00 176.54 175.22 1x9f h GLY 71 N 0.46 0.79 1.32 4.60 0.00 -0.00 -2.76 103.07 107.48 1x9f h GLY 71 Ca 0.13 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1x9f h GLY 71 CO -0.02 0.70 0.41 -2.00 0.00 0.00 0.00 176.54 175.63 1x9f h LEU 72 N 0.49 0.80 -0.59 3.11 5.85 -0.83 -2.33 115.31 121.80 1x9f h LEU 72 Ca 0.06 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1x9f h LEU 72 Cb 0.81 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1x9f h LEU 72 CO 0.06 0.61 0.33 -0.78 -0.34 0.00 0.00 178.44 178.32 1x9f h ASP 73 N 0.92 0.73 -0.27 1.25 1.82 -0.61 0.32 116.42 120.59 1x9f h ASP 73 Ca 0.24 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1x9f h ASP 73 Cb -0.05 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.76 1x9f h ASP 73 CO -0.05 0.61 0.15 0.40 -1.61 0.00 0.00 179.24 178.74 1x9f h ILE 74 N 0.80 1.12 0.16 2.25 2.04 -1.19 0.15 117.51 122.84 1x9f h ILE 74 Ca 0.21 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1x9f h ILE 74 Cb 0.04 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1x9f h ILE 74 CO -0.03 0.12 -0.10 0.00 0.00 0.00 0.00 178.15 178.14 1x9f h ALA 75 N 1.03 -0.24 -0.04 1.87 0.00 -1.02 -1.70 119.26 119.16 1x9f h ALA 75 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x9f h ALA 75 Cb 0.06 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1x9f h ALA 75 CO -0.02 -0.64 0.02 0.82 0.00 0.00 0.00 179.25 179.44 1x9f h ILE 76 N -0.25 1.06 -0.16 0.00 2.04 -0.88 -2.54 117.51 116.78 1x9f h ILE 76 Ca -0.01 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.73 1x9f h ILE 76 Cb 0.21 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1x9f h ILE 76 CO 0.01 0.05 0.18 0.77 0.00 0.00 0.00 178.15 179.16 1x9f h SER 77 N 0.00 0.00 -0.35 1.72 4.64 -0.85 -1.81 113.55 116.90 1x9f h SER 77 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1x9f h SER 77 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1x9f h SER 77 CO -0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1x9f n THR 78 N -3.80 2.34 -0.05 2.95 -2.24 -0.65 -4.55 114.28 108.27 1x9f n THR 78 Ca 0.01 -1.72 0.15 0.00 -2.27 0.00 0.00 64.05 60.22 1x9f n THR 78 Cb 0.30 -0.22 0.57 0.00 -2.10 0.00 0.00 70.33 68.87 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 2.38 0.24 -0.84 3.22 3.38 -0.94 0.30 115.31 123.06 1x9f h LEU 79 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x9f h LEU 79 Cb 1.54 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1x9f h LEU 79 CO 0.28 0.14 0.00 -0.90 0.09 0.00 0.00 178.44 178.05 1x9f n ASP 80 N -4.45 1.30 -3.76 -0.43 5.75 -1.26 -4.42 116.55 109.28 1x9f n ASP 80 Ca 0.10 -1.44 -0.28 0.00 -0.01 0.00 0.00 54.79 53.15 1x9f n ASP 80 Cb 0.46 -0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.99 1.87 0.34 0.11 -0.21 0.09 -5.01 119.66 114.86 1x9f s GLN 81 Ca 0.39 -2.77 0.03 0.00 0.02 0.00 0.00 55.36 53.03 1x9f s GLN 81 Cb 0.21 -2.78 0.63 0.00 1.00 0.00 0.00 33.01 32.07 1x9f s GLN 81 CO 0.34 -1.27 1.96 -1.00 -2.12 0.00 0.00 175.29 173.20 1x9f h PRO 82 N 5.80 0.87 -0.55 2.91 0.13 -1.77 -1.15 132.00 138.23 1x9f h PRO 82 Ca 0.12 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 65.10 1x9f h PRO 82 Cb 0.83 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 1x9f h PRO 82 CO 0.60 0.57 -0.03 0.00 -0.23 0.00 0.00 178.00 178.91 1x9f h ALA 83 N 1.57 0.75 -0.36 -0.56 0.00 -1.95 0.23 119.26 118.93 1x9f h ALA 83 Ca 0.31 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1x9f h ALA 83 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1x9f h ALA 83 CO -0.09 0.60 -0.18 1.15 0.00 0.00 0.00 179.25 180.73 1x9f h THR 84 N 0.88 1.28 -0.17 0.00 2.02 -1.80 -2.42 112.91 112.70 1x9f h THR 84 Ca 0.15 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 66.04 1x9f h THR 84 Cb 0.58 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1x9f h THR 84 CO 0.03 0.43 0.08 0.25 0.37 0.00 0.00 175.52 176.68 1x9f h LEU 85 N 0.55 0.12 -0.64 2.58 5.85 -1.04 -0.39 115.31 122.34 1x9f h LEU 85 Ca 0.08 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1x9f h LEU 85 Cb 0.72 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 1x9f h LEU 85 CO 0.05 0.09 0.35 0.50 -0.34 0.00 0.00 178.44 179.10 1x9f h LYS 86 N 0.17 0.64 -0.49 1.25 1.63 -0.93 0.36 116.57 119.21 1x9f h LYS 86 Ca 0.07 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1x9f h LYS 86 Cb 0.02 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 1x9f h LYS 86 CO -0.05 0.42 0.31 0.93 -3.45 0.00 0.00 179.45 177.61 1x9f h GLU 87 N 0.66 0.62 -0.38 1.90 3.07 -1.09 -0.42 114.58 118.94 1x9f h GLU 87 Ca 0.29 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.06 1x9f h GLU 87 Cb 0.18 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1x9f h GLU 87 CO -0.18 0.41 0.03 1.49 -1.40 0.00 0.00 179.01 179.36 1x9f h GLU 88 N 0.64 0.66 -0.45 2.33 4.57 0.04 -2.51 114.58 119.85 1x9f h GLU 88 Ca 0.18 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 1x9f h GLU 88 Cb -0.05 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 1x9f h GLU 88 CO -0.05 0.73 0.03 -0.07 -1.18 0.00 0.00 179.01 178.47 1x9f h LEU 89 N 0.49 0.68 -0.65 1.64 3.38 -0.12 -1.32 115.31 119.42 1x9f h LEU 89 Ca 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1x9f h LEU 89 Cb 0.42 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1x9f h LEU 89 CO 0.01 0.73 0.36 0.44 0.09 0.00 0.00 178.44 180.08 1x9f h ASP 90 N 0.68 0.80 -0.70 -0.43 3.32 -1.03 0.64 116.42 119.71 1x9f h ASP 90 Ca 0.14 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1x9f h ASP 90 Cb 0.38 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1x9f h ASP 90 CO 0.01 0.66 0.41 -0.74 -1.72 0.00 0.00 179.24 177.86 1x9f h HIS 91 N 0.88 0.93 -0.36 4.55 2.76 -0.92 -1.46 115.15 121.53 1x9f h HIS 91 Ca 0.23 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.29 1x9f h HIS 91 Cb 0.03 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 1x9f h HIS 91 CO -0.01 0.63 -0.17 -0.07 -1.30 0.00 0.00 177.93 177.02 1x9f h LEU 92 N 0.95 0.77 -0.66 0.26 3.38 -1.04 -2.82 115.31 116.16 1x9f h LEU 92 Ca 0.25 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1x9f h LEU 92 Cb -0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1x9f h LEU 92 CO -0.05 1.00 0.38 -0.61 0.09 0.00 0.00 178.44 179.26 1x9f h GLN 93 N 0.53 0.71 -0.55 1.13 4.15 -0.66 -1.12 115.11 119.31 1x9f h GLN 93 Ca 0.08 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1x9f h GLN 93 Cb 0.71 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1x9f h GLN 93 CO 0.05 0.47 0.30 0.28 -1.93 0.00 0.00 178.83 178.00 1x9f h VAL 94 N 0.73 1.17 0.00 2.39 2.07 -1.21 0.16 116.25 121.55 1x9f h VAL 94 Ca 0.28 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1x9f h VAL 94 Cb 0.12 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1x9f h VAL 94 CO -0.15 0.18 0.00 1.56 0.02 0.00 0.00 177.57 179.19 1x9f h GLN 95 N 0.76 0.00 0.00 1.57 4.20 -0.97 -3.26 115.11 117.40 1x9f h GLN 95 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1x9f h GLN 95 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1x9f h GLN 95 CO -0.03 0.00 -1.41 0.72 -0.67 0.00 0.00 178.83 177.44 1x9f n HIS 96 N -2.35 0.00 -2.14 2.96 8.25 -0.70 -4.90 115.22 116.34 1x9f n HIS 96 Ca 0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.09 1x9f n HIS 96 Cb 0.35 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 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 -2.76 4.36 0.00 -0.41 -1.05 0.48 -2.18 118.70 117.14 1x9f s GLU 97 Ca -0.03 2.15 0.00 0.00 -0.15 0.00 0.00 54.97 56.94 1x9f s GLU 97 Cb 0.08 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.63 1x9f s GLU 97 CO 0.53 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.88 1x9f n GLY 98 N 1.89 2.96 3.77 -3.83 0.00 -1.26 -4.99 105.19 103.73 1x9f n GLY 98 Ca 0.05 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 4.21 -1.04 1.61 0.52 -0.93 -4.94 118.95 118.38 1x9f s ARG 99 Ca 0.00 1.76 -0.15 0.00 -0.52 0.00 0.00 55.73 56.82 1x9f s ARG 99 Cb 0.00 -2.75 0.17 0.00 0.52 0.00 0.00 34.95 32.88 1x9f s ARG 99 CO 0.00 -0.17 1.20 0.15 0.02 0.00 0.00 175.30 176.50 1x9f s LYS 100 N -2.16 3.84 -0.36 3.54 1.02 -1.26 -4.94 119.74 119.42 1x9f s LYS 100 Ca 0.54 -2.28 -0.02 0.00 0.02 0.00 0.00 55.97 54.23 1x9f s LYS 100 Cb -0.29 -4.88 0.09 0.00 -0.52 0.00 0.00 37.83 32.22 1x9f s LYS 100 CO 0.37 -1.67 0.11 0.42 -0.92 0.00 0.00 175.35 173.67 1x9f s ILE 101 N 1.61 3.08 0.60 2.17 1.01 -1.26 -5.10 121.20 123.32 1x9f s ILE 101 Ca 0.35 -1.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.01 1x9f s ILE 101 Cb -0.05 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1x9f s ILE 101 CO -0.06 -0.47 1.04 -2.16 0.00 0.00 0.00 174.94 173.30 1x9f s PRO 102 N 1.16 3.37 0.34 2.79 0.04 -1.26 -4.92 135.00 136.53 1x9f s PRO 102 Ca 0.04 1.10 0.12 0.00 0.04 0.00 0.00 61.00 62.30 1x9f s PRO 102 Cb -0.21 -2.04 0.94 0.00 0.04 0.00 0.00 34.50 33.23 1x9f s PRO 102 CO -0.03 -0.76 1.75 -0.44 0.04 0.00 0.00 177.00 177.56 1x9f h ASP 103 N 0.30 0.61 -0.86 6.66 3.32 -2.00 0.14 116.42 124.59 1x9f h ASP 103 Ca -0.46 0.11 0.29 0.00 0.02 0.00 0.00 57.03 56.99 1x9f h ASP 103 Cb 1.21 0.02 -0.16 0.00 0.22 0.00 0.00 39.33 40.62 1x9f h ASP 103 CO 0.58 0.12 0.19 -3.20 -1.72 0.00 0.00 179.24 175.21 1x9f n ASN 104 N -4.78 0.06 -0.04 6.45 5.15 -1.26 -1.12 115.26 119.72 1x9f n ASN 104 Ca 0.26 1.46 -0.15 0.00 -0.60 0.00 0.00 54.58 55.55 1x9f n ASN 104 Cb 0.77 -0.60 -0.13 0.00 -0.53 0.00 0.00 39.78 39.29 1x9f n ASN 104 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1x9f h TYR 105 N 0.00 0.13 -0.74 1.20 0.99 -1.06 -2.56 116.97 114.93 1x9f h TYR 105 Ca 0.61 -0.08 0.18 0.00 2.00 0.00 0.00 58.73 61.43 1x9f h TYR 105 Cb 1.42 -0.01 -0.04 0.00 1.00 0.00 0.00 36.73 39.10 1x9f h TYR 105 CO -0.27 0.98 0.51 0.74 -0.00 0.00 0.00 178.16 180.11 1x9f h PHE 106 N -0.75 0.30 -0.18 4.88 -1.00 -1.53 -0.32 116.94 118.34 1x9f h PHE 106 Ca -0.03 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 1x9f h PHE 106 Cb 1.03 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 40.50 1x9f h PHE 106 CO 0.23 0.10 -0.17 0.22 -1.61 0.00 0.00 178.31 177.08 1x9f h ASP 107 N 0.25 0.47 -0.63 2.17 3.58 -1.10 -1.43 116.42 119.71 1x9f h ASP 107 Ca 0.37 -0.47 -0.06 0.00 0.42 0.00 0.00 57.03 57.29 1x9f h ASP 107 Cb 1.07 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 1x9f h ASP 107 CO -0.08 0.84 0.18 0.00 -2.88 0.00 0.00 179.24 177.30 1x9f h ALA 108 N 0.64 1.08 -0.20 -0.78 0.00 -0.89 -2.27 119.26 116.84 1x9f h ALA 108 Ca 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1x9f h ALA 108 Cb 0.70 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1x9f h ALA 108 CO 0.04 0.62 0.08 0.35 0.00 0.00 0.00 179.25 180.35 1x9f h PHE 109 N 0.98 0.31 -0.62 0.00 3.04 -1.01 0.46 116.94 120.10 1x9f h PHE 109 Ca 0.21 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.21 1x9f h PHE 109 Cb 0.31 -0.09 -0.06 0.00 2.56 0.00 0.00 35.95 38.67 1x9f h PHE 109 CO 0.02 0.34 0.30 -0.22 -2.02 0.00 0.00 178.31 176.74 1x9f h LYS 110 N 0.18 0.53 -0.71 1.11 3.64 -1.15 0.33 116.57 120.50 1x9f h LYS 110 Ca 0.07 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1x9f h LYS 110 Cb 0.16 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1x9f h LYS 110 CO -0.01 0.35 0.44 1.15 -2.27 0.00 0.00 179.45 179.11 1x9f h THR 111 N 0.55 1.20 0.24 1.00 2.02 -1.00 -1.56 112.91 115.36 1x9f h THR 111 Ca 0.29 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1x9f h THR 111 Cb 0.26 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1x9f h THR 111 CO -0.22 0.20 -0.19 0.00 0.37 0.00 0.00 175.52 175.68 1x9f h ALA 112 N 1.23 -0.42 -0.34 6.16 0.00 -0.02 0.36 119.26 126.23 1x9f h ALA 112 Ca 0.26 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1x9f h ALA 112 Cb -0.05 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1x9f h ALA 112 CO -0.05 -0.76 -0.27 0.82 0.00 0.00 0.00 179.25 179.00 1x9f h ILE 113 N -0.44 0.33 -0.80 0.00 2.04 -0.75 0.13 117.51 118.01 1x9f h ILE 113 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1x9f h ILE 113 Cb 0.39 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1x9f h ILE 113 CO -0.01 0.00 0.46 -0.07 0.00 0.00 0.00 178.15 178.53 1x9f h LEU 114 N -0.23 0.98 -0.35 1.44 4.07 -1.12 -0.88 115.31 119.22 1x9f h LEU 114 Ca 0.16 -0.07 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 1x9f h LEU 114 Cb 0.49 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1x9f h LEU 114 CO -0.47 0.77 -0.01 -0.74 -1.08 0.00 0.00 178.44 176.91 1x9f h HIS 115 N 1.11 0.67 -0.18 1.13 2.76 -0.02 -1.24 115.15 119.39 1x9f h HIS 115 Ca 0.28 -0.12 -0.17 0.00 -2.20 0.00 0.00 60.37 58.16 1x9f h HIS 115 Cb -0.01 -0.17 0.01 0.00 1.55 0.00 0.00 27.41 28.78 1x9f h HIS 115 CO 0.01 0.73 -0.57 0.28 -1.30 0.00 0.00 177.93 177.08 1x9f h VAL 116 N 0.42 1.31 -0.11 5.26 2.07 -0.74 -2.22 116.25 122.24 1x9f h VAL 116 Ca 0.10 -1.80 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 1x9f h VAL 116 Cb 0.47 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1x9f h VAL 116 CO 0.02 0.56 0.07 0.58 0.02 0.00 0.00 177.57 178.82 1x9f h VAL 117 N 0.40 1.05 -0.80 2.57 2.07 -1.19 0.18 116.25 120.52 1x9f h VAL 117 Ca -0.02 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.50 1x9f h VAL 117 Cb 1.19 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 31.82 1x9f h VAL 117 CO 0.12 0.05 0.39 0.00 0.02 0.00 0.00 177.57 178.15 1x9f h ALA 118 N 1.01 1.18 -0.31 1.67 0.00 -1.23 0.41 119.26 121.99 1x9f h ALA 118 Ca 0.04 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1x9f h ALA 118 Cb 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x9f h ALA 118 CO -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 179.25 179.11 1x9f h ALA 119 N 1.53 0.42 -0.77 0.00 0.00 -0.93 -0.67 119.26 118.85 1x9f h ALA 119 Ca 0.43 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1x9f h ALA 119 Cb 0.59 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1x9f h ALA 119 CO -0.35 0.20 0.50 1.96 0.00 0.00 0.00 179.25 181.57 1x9f h GLN 120 N 0.35 0.69 -0.05 0.00 1.08 0.63 -3.12 115.11 114.69 1x9f h GLN 120 Ca 0.08 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1x9f h GLN 120 Cb 0.49 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1x9f h GLN 120 CO 0.02 0.46 0.00 1.28 -0.95 0.00 0.00 178.83 179.64 1x9f n LEU 121 N -4.50 1.86 0.00 1.46 4.77 0.01 -4.97 117.00 115.63 1x9f n LEU 121 Ca 0.13 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1x9f n LEU 121 Cb 0.32 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1x9f n LEU 121 CO 0.33 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1x9f n GLY 122 N 0.44 2.47 0.12 -0.72 0.00 -0.26 -2.21 105.19 105.04 1x9f n GLY 122 Ca 0.06 0.28 -0.19 0.00 0.00 0.00 0.00 46.02 46.16 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 0.35 -4.53 1.61 3.08 -1.95 -3.43 114.38 109.52 1x9f h ARG 123 Ca 0.00 -0.61 -0.64 0.00 0.07 0.00 0.00 59.98 58.81 1x9f h ARG 123 Cb 0.00 0.23 0.05 0.00 0.08 0.00 0.00 29.97 30.32 1x9f h ARG 123 CO 0.00 1.26 2.24 0.00 -1.07 0.00 0.00 179.97 182.40 1x9f s TYR 125 N 5.29 -0.56 -0.37 0.00 1.13 -1.26 -4.86 117.35 116.72 1x9f s TYR 125 Ca 0.58 1.01 -0.06 0.00 -1.41 0.00 0.00 57.07 57.20 1x9f s TYR 125 Cb 0.14 0.41 0.06 0.00 -1.10 0.00 0.00 41.96 41.47 1x9f s TYR 125 CO 0.12 -0.48 0.15 0.34 -2.51 0.00 0.00 175.55 173.17 1x9f s ASP 126 N -0.99 5.34 0.14 -0.18 -1.08 -1.26 -4.99 116.67 113.65 1x9f s ASP 126 Ca -0.06 -1.42 -0.15 0.00 -0.52 0.00 0.00 52.55 50.39 1x9f s ASP 126 Cb -0.01 -1.87 0.02 0.00 -1.46 0.00 0.00 42.92 39.60 1x9f s ASP 126 CO 0.06 -0.42 1.71 -0.09 0.52 0.00 0.00 175.17 176.95 1x9f h ARG 127 N 8.21 0.66 -0.69 4.34 2.43 -1.99 -1.89 114.38 125.45 1x9f h ARG 127 Ca -0.21 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1x9f h ARG 127 Cb 1.07 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1x9f h ARG 127 CO 0.65 0.58 0.42 0.93 -1.51 0.00 0.00 179.97 181.05 1x9f h GLU 128 N 0.58 0.93 -0.20 0.20 5.08 -1.99 0.50 114.58 119.69 1x9f h GLU 128 Ca 0.15 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1x9f h GLU 128 Cb 0.16 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1x9f h GLU 128 CO -0.02 0.65 -0.25 0.00 -1.00 0.00 0.00 179.01 178.40 1x9f h ALA 129 N 1.52 0.30 -0.36 3.43 0.00 -1.86 -1.82 119.26 120.47 1x9f h ALA 129 Ca 0.25 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1x9f h ALA 129 Cb -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1x9f h ALA 129 CO -0.05 0.27 0.22 -1.49 0.00 0.00 0.00 179.25 178.21 1x9f h TRP 130 N 0.19 0.42 -0.33 0.00 4.06 -1.21 -1.97 115.95 117.12 1x9f h TRP 130 Ca 0.03 0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.03 1x9f h TRP 130 Cb 0.81 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.79 1x9f h TRP 130 CO 0.08 0.26 0.08 0.22 -3.56 0.00 0.00 178.44 175.52 1x9f h ASP 131 N 0.46 0.04 -0.60 -3.49 3.58 -0.82 0.22 116.42 115.81 1x9f h ASP 131 Ca 0.14 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 1x9f h ASP 131 Cb -0.02 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 1x9f h ASP 131 CO -0.05 0.06 0.25 0.00 -2.88 0.00 0.00 179.24 176.62 1x9f h ALA 132 N 1.23 0.78 0.00 -0.78 0.00 -1.23 -1.79 119.26 117.48 1x9f h ALA 132 Ca 0.15 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1x9f h ALA 132 Cb 0.16 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1x9f h ALA 132 CO -0.19 0.38 -0.96 0.00 0.00 0.00 0.00 179.25 178.49 1x9f h ILE 134 N 0.26 1.27 -0.16 0.00 1.08 -0.57 -2.12 117.51 117.27 1x9f h ILE 134 Ca -0.09 -1.27 0.05 0.00 -0.39 0.00 0.00 64.86 63.16 1x9f h ILE 134 Cb 1.60 1.02 -0.06 0.00 -3.07 0.00 0.00 36.82 36.31 1x9f h ILE 134 CO 0.17 0.44 -0.25 0.44 -0.69 0.00 0.00 178.15 178.26 1x9f h ASP 135 N 0.84 -0.79 -0.99 1.72 5.19 -1.24 0.96 116.42 122.09 1x9f h ASP 135 Ca 0.13 0.13 0.06 0.00 -0.62 0.00 0.00 57.03 56.72 1x9f h ASP 135 Cb 0.68 0.35 -0.06 0.00 0.18 0.00 0.00 39.33 40.48 1x9f h ASP 135 CO 0.05 -0.30 0.64 -0.74 -3.12 0.00 0.00 179.24 175.77 1x9f h HIS 136 N -0.31 1.20 -0.30 4.55 2.76 -1.19 0.72 115.15 122.59 1x9f h HIS 136 Ca 0.11 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1x9f h HIS 136 Cb 0.47 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1x9f h HIS 136 CO -0.36 0.64 -0.08 0.82 -1.30 0.00 0.00 177.93 177.65 1x9f h ILE 137 N 1.19 1.28 -0.53 6.26 2.04 -0.94 -3.19 117.51 123.64 1x9f h ILE 137 Ca 0.42 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 1x9f h ILE 137 Cb 0.11 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1x9f h ILE 137 CO -0.16 0.36 -0.02 -0.33 0.00 0.00 0.00 178.15 178.00 1x9f h GLU 138 N 0.34 0.90 -0.87 2.37 5.08 -0.06 -2.56 114.58 119.80 1x9f h GLU 138 Ca 0.07 -0.27 0.17 0.00 -1.00 0.00 0.00 59.36 58.34 1x9f h GLU 138 Cb 0.57 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.62 1x9f h GLU 138 CO 0.03 0.91 0.43 -0.44 -1.00 0.00 0.00 179.01 178.93 1x9f h ASP 139 N 0.83 0.47 0.80 1.42 3.32 -0.91 0.77 116.42 123.12 1x9f h ASP 139 Ca 0.15 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 1x9f h ASP 139 Cb 0.52 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1x9f h ASP 139 CO 0.03 0.15 -0.28 1.23 -1.72 0.00 0.00 179.24 178.64 1x9f h GLY 140 N 0.55 0.00 1.10 2.75 0.00 -1.45 -0.89 103.07 105.14 1x9f h GLY 140 Ca 0.50 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.51 1x9f h GLY 140 CO -0.42 0.00 -1.63 -2.22 0.00 0.00 0.00 176.54 172.27 1x9f h ILE 141 N 0.00 1.04 -0.23 2.60 2.04 -0.89 -3.32 117.51 118.74 1x9f h ILE 141 Ca -0.00 -2.70 -0.16 0.00 1.00 0.00 0.00 64.86 62.99 1x9f h ILE 141 Cb 0.76 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 1x9f h ILE 141 CO 0.04 0.80 -0.52 0.11 0.00 0.00 0.00 178.15 178.58 1x9f h LYS 142 N 0.07 0.65 0.00 2.37 1.57 -0.90 -3.36 116.57 116.96 1x9f h LYS 142 Ca -0.28 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1x9f h LYS 142 Cb 2.03 0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.37 1x9f h LYS 142 CO 0.15 1.01 0.00 0.41 -0.57 0.00 0.00 179.45 180.44 1x9f n GLY 143 N 0.23 2.94 3.89 3.86 0.00 -0.34 -5.00 105.19 110.77 1x9f n GLY 143 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.50 3.54 -0.85 1.61 4.02 -1.23 -5.00 115.29 114.87 1x9f s HIS 144 Ca 0.00 0.96 0.00 0.00 1.02 0.00 0.00 55.06 57.04 1x9f s HIS 144 Cb 0.00 -2.41 0.00 0.00 -1.02 0.00 0.00 32.58 29.15 1x9f s HIS 144 CO 0.00 -0.28 0.21 0.72 1.02 0.00 0.00 174.74 176.42