#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9f n GLU 4 N 0.00 0.00 0.00 1.57 4.71 -1.26 -4.85 120.64 120.81 1x9f n GLU 4 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.20 1x9f n GLU 4 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.44 1x9f n GLU 4 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1x9f n HIS 5 N -0.51 0.00 -3.72 -0.32 8.25 -1.26 -4.32 115.22 113.34 1x9f n HIS 5 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1x9f n HIS 5 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 1x9f n HIS 5 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x9f s SER 8 N -3.82 -0.55 0.08 0.00 1.04 -1.26 -4.57 113.70 104.62 1x9f s SER 8 Ca 0.30 0.84 -0.25 0.00 0.48 0.00 0.00 55.95 57.33 1x9f s SER 8 Cb -0.12 -1.20 -0.10 0.00 0.10 0.00 0.00 66.02 64.70 1x9f s SER 8 CO 0.88 -5.05 1.40 -0.33 0.98 0.00 0.00 173.24 171.12 1x9f h GLU 9 N -3.21 -0.44 -0.87 4.02 4.39 -1.90 -1.08 114.58 115.48 1x9f h GLU 9 Ca -0.45 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.33 1x9f h GLU 9 Cb 1.33 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 30.02 1x9f h GLU 9 CO 0.31 -0.30 0.55 0.93 -1.16 0.00 0.00 179.01 179.34 1x9f h GLU 10 N -0.46 1.02 -0.16 2.33 4.39 -1.97 -2.27 114.58 117.45 1x9f h GLU 10 Ca 0.01 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.70 1x9f h GLU 10 Cb 0.51 -0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 28.86 1x9f h GLU 10 CO -0.28 0.67 -0.40 -0.44 -1.16 0.00 0.00 179.01 177.40 1x9f h ASP 11 N 1.05 -1.27 0.72 1.42 3.45 -1.80 0.76 116.42 120.74 1x9f h ASP 11 Ca 0.36 0.17 -0.06 0.00 0.43 0.00 0.00 57.03 57.94 1x9f h ASP 11 Cb 0.07 0.53 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 1x9f h ASP 11 CO -0.14 -0.41 -0.28 1.12 -1.57 0.00 0.00 179.24 177.96 1x9f h HIS 12 N -0.46 0.00 -0.27 4.55 2.07 -0.99 -1.29 115.15 118.76 1x9f h HIS 12 Ca 0.09 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.44 1x9f h HIS 12 Cb 0.61 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.59 1x9f h HIS 12 CO -0.49 0.28 -0.49 -0.09 -3.07 0.00 0.00 177.93 174.07 1x9f h ARG 13 N 0.00 0.74 -0.37 5.12 2.43 -0.87 -1.47 114.38 119.97 1x9f h ARG 13 Ca -0.00 -0.44 -0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1x9f h ARG 13 Cb 0.71 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1x9f h ARG 13 CO 0.04 1.06 0.12 0.82 -1.51 0.00 0.00 179.97 180.49 1x9f h ILE 14 N 0.59 1.21 -0.36 1.20 1.08 -0.28 -2.32 117.51 118.62 1x9f h ILE 14 Ca 0.03 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1x9f h ILE 14 Cb 1.06 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 1x9f h ILE 14 CO 0.10 0.24 0.23 0.58 -0.69 0.00 0.00 178.15 178.61 1x9f h VAL 15 N 0.44 1.11 -0.53 1.67 2.07 -1.18 -1.32 116.25 118.51 1x9f h VAL 15 Ca 0.12 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1x9f h VAL 15 Cb 0.25 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1x9f h VAL 15 CO -0.00 0.11 0.17 1.56 0.02 0.00 0.00 177.57 179.43 1x9f h GLN 16 N 0.48 0.83 -0.42 1.57 4.20 -1.22 -0.05 115.11 120.49 1x9f h GLN 16 Ca 0.13 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1x9f h GLN 16 Cb -0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1x9f h GLN 16 CO -0.03 0.76 0.13 -0.22 -0.67 0.00 0.00 178.83 178.80 1x9f h LYS 17 N 0.74 0.66 -0.35 1.46 3.64 -1.34 -1.78 116.57 119.59 1x9f h LYS 17 Ca 0.17 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1x9f h LYS 17 Cb 0.27 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1x9f h LYS 17 CO -0.01 0.65 -0.30 1.96 -2.27 0.00 0.00 179.45 179.48 1x9f h GLN 18 N 0.54 0.83 -0.74 1.90 4.20 -1.01 -3.08 115.11 117.75 1x9f h GLN 18 Ca 0.14 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 1x9f h GLN 18 Cb 0.26 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1x9f h GLN 18 CO -0.00 1.05 0.36 2.35 -0.67 0.00 0.00 178.83 181.92 1x9f h TRP 19 N 0.62 1.06 -0.64 2.96 2.91 -0.99 -3.05 115.95 118.81 1x9f h TRP 19 Ca 0.06 -0.05 0.09 0.00 1.13 0.00 0.00 58.89 60.12 1x9f h TRP 19 Cb 0.88 -0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 1x9f h TRP 19 CO 0.07 0.77 0.43 0.22 -1.03 0.00 0.00 178.44 178.89 1x9f h ASP 20 N 1.03 0.46 -1.00 2.65 1.82 -1.23 -0.86 116.42 119.29 1x9f h ASP 20 Ca 0.25 0.01 0.26 0.00 -0.39 0.00 0.00 57.03 57.16 1x9f h ASP 20 Cb 0.11 -0.09 -0.13 0.00 0.68 0.00 0.00 39.33 39.90 1x9f h ASP 20 CO -0.03 0.28 0.58 0.40 -1.61 0.00 0.00 179.24 178.86 1x9f h ILE 21 N 0.52 0.50 -0.23 2.25 2.04 -1.50 -1.39 117.51 119.68 1x9f h ILE 21 Ca 0.29 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1x9f h ILE 21 Cb 0.46 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1x9f h ILE 21 CO -0.09 0.10 0.23 -0.07 0.00 0.00 0.00 178.15 178.32 1x9f h LEU 22 N 0.53 0.00 -3.31 1.44 3.38 -1.32 -2.34 115.31 113.69 1x9f h LEU 22 Ca 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.63 1x9f h LEU 22 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1x9f h LEU 22 CO -0.50 0.00 0.00 0.79 0.09 0.00 0.00 178.44 178.82 1x9f n TRP 23 N -3.92 1.14 -0.18 1.13 7.02 -0.53 -4.47 117.44 117.64 1x9f n TRP 23 Ca 0.03 -0.85 0.17 0.00 -1.02 0.00 0.00 57.50 55.83 1x9f n TRP 23 Cb 0.37 -0.35 0.53 0.00 -2.42 0.00 0.00 31.31 29.43 1x9f n TRP 23 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1x9f h ARG 24 N 2.18 0.36 -6.17 -0.99 2.47 -1.43 -3.43 114.38 107.37 1x9f h ARG 24 Ca 0.00 -0.02 -0.54 0.00 -1.26 0.00 0.00 59.98 58.16 1x9f h ARG 24 Cb 1.54 -0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 29.71 1x9f h ARG 24 CO 0.27 0.24 -0.57 0.16 0.56 0.00 0.00 179.97 180.63 1x9f s ASP 25 N -5.85 4.89 0.30 7.04 3.84 -1.26 -5.05 116.67 120.57 1x9f s ASP 25 Ca -0.08 -0.57 0.25 0.00 -0.00 0.00 0.00 52.55 52.15 1x9f s ASP 25 Cb 0.21 -0.96 0.62 0.00 -1.38 0.00 0.00 42.92 41.41 1x9f s ASP 25 CO 0.77 -0.12 1.70 0.71 -0.00 0.00 0.00 175.17 178.23 1x9f h THR 26 N 1.64 0.00 -1.05 2.11 1.35 -1.97 -3.33 112.91 111.66 1x9f h THR 26 Ca -0.45 -0.68 -0.58 0.00 -0.55 0.00 0.00 66.41 64.15 1x9f h THR 26 Cb 1.25 1.68 -0.15 0.00 -1.73 0.00 0.00 68.15 69.19 1x9f h THR 26 CO 0.61 0.00 1.13 -0.62 -0.25 0.00 0.00 175.52 176.39 1x9f n GLU 27 N -2.59 3.21 0.20 4.72 -0.58 -1.26 -4.62 120.64 119.72 1x9f n GLU 27 Ca 0.05 -2.71 0.06 0.00 -0.42 0.00 0.00 57.16 54.14 1x9f n GLU 27 Cb 0.47 -2.32 0.44 0.00 -0.57 0.00 0.00 31.44 29.45 1x9f n GLU 27 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1x9f h SER 28 N 3.60 0.00 -0.56 1.62 4.64 -1.94 -2.21 113.55 118.70 1x9f h SER 28 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1x9f h SER 28 Cb 0.59 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 1x9f h SER 28 CO 1.08 0.32 0.36 0.77 -0.87 0.00 0.00 176.83 178.49 1x9f h SER 29 N 0.00 0.65 -0.58 4.97 4.64 -1.94 0.17 113.55 121.46 1x9f h SER 29 Ca -0.00 -0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1x9f h SER 29 Cb 0.67 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.54 1x9f h SER 29 CO 0.04 0.48 0.29 0.50 -0.87 0.00 0.00 176.83 177.27 1x9f h LYS 30 N 0.76 0.53 -0.34 4.77 1.63 -1.78 0.56 116.57 122.69 1x9f h LYS 30 Ca 0.20 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.82 1x9f h LYS 30 Cb -0.07 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.44 1x9f h LYS 30 CO -0.04 0.35 -0.39 0.82 -3.45 0.00 0.00 179.45 176.73 1x9f h ILE 31 N 0.54 1.28 -0.23 2.00 2.04 -1.37 -2.02 117.51 119.76 1x9f h ILE 31 Ca 0.26 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 1x9f h ILE 31 Cb 0.20 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1x9f h ILE 31 CO -0.19 0.52 0.05 0.11 0.00 0.00 0.00 178.15 178.64 1x9f h LYS 32 N 0.66 0.36 -0.20 2.37 1.57 -0.19 -1.63 116.57 119.51 1x9f h LYS 32 Ca 0.05 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1x9f h LYS 32 Cb 0.99 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1x9f h LYS 32 CO 0.09 0.47 0.11 0.82 -0.57 0.00 0.00 179.45 180.38 1x9f h ILE 33 N 0.18 1.11 -0.11 1.86 2.04 -0.93 -0.57 117.51 121.10 1x9f h ILE 33 Ca 0.07 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1x9f h ILE 33 Cb 0.27 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1x9f h ILE 33 CO 0.00 0.10 0.07 1.23 0.00 0.00 0.00 178.15 179.55 1x9f h GLY 34 N 0.22 0.15 0.64 5.37 0.00 -1.33 -0.61 103.07 107.51 1x9f h GLY 34 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1x9f h GLY 34 CO -0.01 0.06 -0.01 -2.75 0.00 0.00 0.00 176.54 173.83 1x9f h PHE 35 N 0.14 0.06 -0.50 5.60 3.57 -1.26 -1.64 116.94 122.91 1x9f h PHE 35 Ca 0.04 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1x9f h PHE 35 Cb -0.01 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1x9f h PHE 35 CO -0.07 0.43 0.32 0.78 -2.23 0.00 0.00 178.31 177.54 1x9f h GLY 36 N -0.32 0.72 0.57 2.40 0.00 -1.11 -0.02 103.07 105.31 1x9f h GLY 36 Ca 0.01 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.10 1x9f h GLY 36 CO 0.00 0.27 -0.06 -0.09 0.00 0.00 0.00 176.54 176.67 1x9f h ARG 37 N 0.68 -0.01 -0.18 4.80 1.12 -1.12 -1.34 114.38 118.33 1x9f h ARG 37 Ca 0.18 0.00 0.05 0.00 -1.11 0.00 0.00 59.98 59.10 1x9f h ARG 37 Cb -0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 29.86 1x9f h ARG 37 CO -0.04 -0.01 -0.12 1.25 -3.11 0.00 0.00 179.97 177.95 1x9f h LEU 38 N -0.01 -0.38 0.19 3.80 5.85 -0.75 0.21 115.31 124.23 1x9f h LEU 38 Ca 0.10 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1x9f h LEU 38 Cb 0.16 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1x9f h LEU 38 CO -0.22 -0.15 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.43 1x9f h LEU 39 N -0.12 -0.64 -0.48 2.25 3.38 -0.75 -1.01 115.31 117.94 1x9f h LEU 39 Ca 0.11 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1x9f h LEU 39 Cb 0.27 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1x9f h LEU 39 CO -0.25 -0.33 -0.14 -0.07 0.09 0.00 0.00 178.44 177.73 1x9f h LEU 40 N -0.47 0.96 -0.49 1.67 3.38 -1.15 -0.62 115.31 118.59 1x9f h LEU 40 Ca 0.01 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.69 1x9f h LEU 40 Cb 0.46 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1x9f h LEU 40 CO -0.08 1.11 0.11 0.74 0.09 0.00 0.00 178.44 180.42 1x9f h THR 41 N 0.80 0.75 -0.66 0.22 2.02 -0.86 0.12 112.91 115.30 1x9f h THR 41 Ca 0.12 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 1x9f h THR 41 Cb 0.71 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1x9f h THR 41 CO 0.05 0.05 0.17 0.50 0.37 0.00 0.00 175.52 176.66 1x9f h LYS 42 N 0.26 1.04 -0.18 6.66 1.63 -0.95 -0.95 116.57 124.07 1x9f h LYS 42 Ca 0.24 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1x9f h LYS 42 Cb 0.31 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1x9f h LYS 42 CO -0.30 0.91 0.09 1.25 -3.45 0.00 0.00 179.45 177.95 1x9f h LEU 43 N 0.99 0.15 -0.92 5.20 5.85 -0.05 -2.05 115.31 124.48 1x9f h LEU 43 Ca 0.21 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1x9f h LEU 43 Cb 0.33 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1x9f h LEU 43 CO -0.00 0.11 -0.08 0.00 -0.34 0.00 0.00 178.44 178.13 1x9f h ALA 44 N 1.09 1.10 -0.64 1.25 0.00 -0.55 -1.13 119.26 120.38 1x9f h ALA 44 Ca 0.07 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1x9f h ALA 44 Cb 0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1x9f h ALA 44 CO -0.04 0.56 0.33 -0.22 0.00 0.00 0.00 179.25 179.88 1x9f h LYS 45 N 0.64 0.59 0.07 0.00 1.63 -0.94 -2.91 116.57 115.66 1x9f h LYS 45 Ca 0.12 -0.04 -0.25 0.00 -0.85 0.00 0.00 60.65 59.64 1x9f h LYS 45 Cb 0.52 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1x9f h LYS 45 CO 0.03 0.39 -1.11 -0.44 -3.45 0.00 0.00 179.45 174.87 1x9f h ASP 46 N 0.61 0.32 -3.39 4.20 3.45 -1.02 -3.40 116.42 117.19 1x9f h ASP 46 Ca 0.29 -0.32 -0.61 0.00 0.43 0.00 0.00 57.03 56.82 1x9f h ASP 46 Cb 0.22 -0.10 -0.40 0.00 -0.56 0.00 0.00 39.33 38.49 1x9f h ASP 46 CO -0.20 1.22 -0.74 -0.63 -1.57 0.00 0.00 179.24 177.31 1x9f s ILE 47 N -2.81 1.40 0.52 0.35 1.01 -0.46 -5.01 121.20 116.20 1x9f s ILE 47 Ca -0.03 -2.64 0.24 0.00 0.00 0.00 0.00 60.65 58.22 1x9f s ILE 47 Cb 0.08 -1.98 0.39 0.00 0.01 0.00 0.00 42.46 40.97 1x9f s ILE 47 CO 0.86 -0.92 1.98 1.55 0.00 0.00 0.00 174.94 178.41 1x9f h PRO 48 N 6.59 0.06 -0.03 2.79 0.13 -1.74 0.11 132.00 139.90 1x9f h PRO 48 Ca 0.02 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1x9f h PRO 48 Cb 0.92 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1x9f h PRO 48 CO 0.49 0.04 0.08 1.05 -0.23 0.00 0.00 178.00 179.43 1x9f h GLU 49 N 0.06 0.00 -0.50 0.86 4.11 -1.95 -1.86 114.58 115.30 1x9f h GLU 49 Ca 0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.69 1x9f h GLU 49 Cb 1.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1x9f h GLU 49 CO -0.02 0.00 0.24 0.28 0.07 0.00 0.00 179.01 179.58 1x9f h VAL 50 N 0.00 1.17 -0.88 -1.06 2.07 -1.07 -2.33 116.25 114.14 1x9f h VAL 50 Ca 0.02 -0.47 0.16 0.00 0.82 0.00 0.00 66.70 67.23 1x9f h VAL 50 Cb 0.17 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 1x9f h VAL 50 CO -0.00 0.19 0.57 0.78 0.02 0.00 0.00 177.57 179.14 1x9f h ASN 51 N 0.70 0.57 -0.49 0.57 2.35 -1.53 -1.02 115.58 116.74 1x9f h ASN 51 Ca 0.18 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.84 1x9f h ASN 51 Cb 0.07 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1x9f h ASN 51 CO -0.02 0.27 -0.18 0.44 -1.65 0.00 0.00 177.43 176.29 1x9f h ASP 52 N 0.59 1.01 -0.00 5.81 3.45 -1.59 -3.04 116.42 122.65 1x9f h ASP 52 Ca 0.45 -0.38 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1x9f h ASP 52 Cb 0.85 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 39.34 1x9f h ASP 52 CO -0.20 1.16 0.00 -0.07 -1.57 0.00 0.00 179.24 178.56 1x9f h LEU 53 N 0.84 0.00 -3.42 1.55 3.38 -1.17 -2.54 115.31 113.95 1x9f h LEU 53 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1x9f h LEU 53 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1x9f h LEU 53 CO 0.06 0.00 0.01 0.49 0.09 0.00 0.00 178.44 179.09 1x9f n PHE 54 N -4.33 1.52 -0.20 1.13 3.01 -1.03 -4.59 117.46 112.97 1x9f n PHE 54 Ca -0.03 -0.85 -0.07 0.00 1.01 0.00 0.00 57.45 57.51 1x9f n PHE 54 Cb 0.09 -0.43 0.03 0.00 -0.01 0.00 0.00 39.48 39.16 1x9f n PHE 54 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1x9f h LYS 55 N 2.77 0.80 -0.18 -1.08 3.64 -1.39 -2.41 116.57 118.72 1x9f h LYS 55 Ca 0.02 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1x9f h LYS 55 Cb 1.74 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 1x9f h LYS 55 CO 0.37 0.64 0.18 -0.09 -2.27 0.00 0.00 179.45 178.29 1x9f h ARG 56 N 0.76 0.00 -0.45 1.90 1.12 -1.83 -1.16 114.38 114.73 1x9f h ARG 56 Ca 0.20 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.07 1x9f h ARG 56 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 1x9f h ARG 56 CO -0.03 0.00 0.00 1.33 -3.11 0.00 0.00 179.97 178.16 1x9f n VAL 57 N -3.92 0.86 -3.19 0.20 0.24 -0.94 -4.99 118.33 106.59 1x9f n VAL 57 Ca 0.02 -0.93 -0.15 0.00 -2.04 0.00 0.00 64.34 61.23 1x9f n VAL 57 Cb 0.31 0.62 0.06 0.00 -1.47 0.00 0.00 33.84 33.36 1x9f n VAL 57 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1x9f n ASP 58 N 1.01 -3.45 0.22 -1.34 2.03 -0.44 -1.53 116.55 113.05 1x9f n ASP 58 Ca 0.16 -0.44 0.17 0.00 0.52 0.00 0.00 54.79 55.20 1x9f n ASP 58 Cb 0.50 -3.97 0.85 0.00 -0.72 0.00 0.00 41.12 37.78 1x9f n ASP 58 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1x9f h ILE 59 N -1.70 0.42 -0.92 5.18 2.10 -1.74 0.30 117.51 121.16 1x9f h ILE 59 Ca -0.44 0.00 0.21 0.00 1.08 0.00 0.00 64.86 65.71 1x9f h ILE 59 Cb 1.27 0.85 -0.07 0.00 -1.09 0.00 0.00 36.82 37.77 1x9f h ILE 59 CO 0.40 0.00 0.61 -0.08 -1.08 0.00 0.00 178.15 178.00 1x9f h GLU 60 N 0.00 0.37 -2.29 2.19 4.81 -1.90 -2.02 114.58 115.74 1x9f h GLU 60 Ca 0.07 -0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.65 1x9f h GLU 60 Cb 0.45 -0.08 -0.40 0.00 0.63 0.00 0.00 28.75 29.35 1x9f h GLU 60 CO -0.00 0.24 -0.41 0.72 -0.73 0.00 0.00 179.01 178.84 1x9f n HIS 61 N -4.51 3.49 -0.43 0.92 8.25 0.10 -4.95 115.22 118.10 1x9f n HIS 61 Ca 0.20 -3.94 0.35 0.00 -0.26 0.00 0.00 57.72 54.07 1x9f n HIS 61 Cb 0.73 -0.65 0.63 0.00 1.12 0.00 0.00 29.99 31.82 1x9f n HIS 61 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x9f h ALA 62 N 4.28 2.64 -0.00 -1.41 0.00 -1.47 0.91 119.26 124.21 1x9f h ALA 62 Ca 0.20 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1x9f h ALA 62 Cb 0.65 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1x9f h ALA 62 CO 0.91 -1.27 -0.19 -0.85 0.00 0.00 0.00 179.25 177.84 1x9f n GLU 63 N -4.76 0.24 -0.91 0.00 0.00 -1.26 -4.30 120.64 109.65 1x9f n GLU 63 Ca 0.37 -0.08 -0.31 0.00 0.00 0.00 0.00 57.16 57.14 1x9f n GLU 63 Cb 1.38 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 31.48 1x9f n GLU 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1x9f s GLY 64 N -2.82 1.66 0.33 -1.84 0.00 0.31 -4.79 107.32 100.18 1x9f s GLY 64 Ca 0.18 0.33 0.03 0.00 0.00 0.00 0.00 44.72 45.26 1x9f s GLY 64 CO 0.56 0.77 1.92 -0.56 0.00 0.00 0.00 173.10 175.79 1x9f h PRO 65 N -1.69 0.69 0.79 2.90 0.13 -1.92 -1.50 132.00 131.40 1x9f h PRO 65 Ca -0.46 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 1x9f h PRO 65 Cb 1.27 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1x9f h PRO 65 CO 0.47 0.58 -0.50 0.87 -0.23 0.00 0.00 178.00 179.19 1x9f h LYS 66 N 0.69 -1.17 -0.61 0.86 1.79 -1.91 -1.55 116.57 114.66 1x9f h LYS 66 Ca 0.17 0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.66 1x9f h LYS 66 Cb 0.15 0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 1x9f h LYS 66 CO -0.01 -0.78 0.15 0.35 -1.08 0.00 0.00 179.45 178.08 1x9f h PHE 67 N -1.21 0.98 -0.13 -1.35 3.57 -1.25 -2.51 116.94 115.05 1x9f h PHE 67 Ca -0.11 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.34 1x9f h PHE 67 Cb 0.98 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 1x9f h PHE 67 CO -0.12 0.81 -0.18 0.77 -2.23 0.00 0.00 178.31 177.36 1x9f h SER 68 N 0.91 -0.57 -0.68 0.41 0.02 -1.22 0.69 113.55 113.11 1x9f h SER 68 Ca 0.20 0.10 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 1x9f h SER 68 Cb 0.32 0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.06 1x9f h SER 68 CO -0.00 -0.23 0.37 0.00 -1.14 0.00 0.00 176.83 175.83 1x9f h ALA 69 N 0.79 0.93 -0.74 3.77 0.00 -1.03 -1.51 119.26 121.46 1x9f h ALA 69 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1x9f h ALA 69 Cb 0.38 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1x9f h ALA 69 CO -0.27 0.03 0.44 1.25 0.00 0.00 0.00 179.25 180.71 1x9f h HIS 70 N 0.67 0.99 -0.77 0.00 6.17 -0.97 -0.41 115.15 120.83 1x9f h HIS 70 Ca 0.31 -0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.34 1x9f h HIS 70 Cb 0.23 -0.32 -0.03 0.00 2.52 0.00 0.00 27.41 29.81 1x9f h HIS 70 CO -0.08 0.67 0.30 0.00 0.71 0.00 0.00 177.93 179.52 1x9f h ALA 71 N 1.23 1.08 -0.99 5.26 0.00 -0.10 0.00 119.26 125.75 1x9f h ALA 71 Ca 0.27 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1x9f h ALA 71 Cb -0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 1x9f h ALA 71 CO -0.05 0.65 0.65 -0.07 0.00 0.00 0.00 179.25 180.43 1x9f h LEU 72 N 1.12 1.11 0.10 0.00 3.38 -0.87 -1.53 115.31 118.61 1x9f h LEU 72 Ca 0.26 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1x9f h LEU 72 Cb 0.22 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1x9f h LEU 72 CO -0.02 0.78 -0.05 -0.09 0.09 0.00 0.00 178.44 179.16 1x9f h ARG 73 N 1.30 -0.12 -0.73 1.13 2.43 0.65 0.58 114.38 119.62 1x9f h ARG 73 Ca 0.38 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.49 1x9f h ARG 73 Cb -0.08 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1x9f h ARG 73 CO -0.10 0.10 0.21 0.97 -1.51 0.00 0.00 179.97 179.64 1x9f h ILE 74 N -0.33 1.26 -0.41 1.20 2.10 -1.06 -1.21 117.51 119.06 1x9f h ILE 74 Ca -0.01 -0.93 -0.08 0.00 1.08 0.00 0.00 64.86 64.92 1x9f h ILE 74 Cb 0.28 0.48 -0.02 0.00 -1.09 0.00 0.00 36.82 36.47 1x9f h ILE 74 CO 0.02 0.36 -0.09 0.25 -1.08 0.00 0.00 178.15 177.62 1x9f h LEU 75 N 1.08 0.70 -0.79 2.19 7.12 -1.16 -0.39 115.31 124.07 1x9f h LEU 75 Ca 0.23 -0.19 -0.09 0.00 0.13 0.00 0.00 57.88 57.96 1x9f h LEU 75 Cb 0.33 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 1x9f h LEU 75 CO -0.00 0.82 -0.44 0.78 -0.13 0.00 0.00 178.44 179.47 1x9f h ASN 76 N 0.66 0.00 -0.39 1.25 4.21 -0.71 0.12 115.58 120.72 1x9f h ASN 76 Ca 0.12 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.58 1x9f h ASN 76 Cb 0.54 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.72 1x9f h ASN 76 CO 0.03 0.44 0.05 1.23 -1.29 0.00 0.00 177.43 177.89 1x9f h GLY 77 N 2.21 0.70 1.36 2.83 0.00 -0.34 0.17 103.07 110.01 1x9f h GLY 77 Ca -0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 1x9f h GLY 77 CO 0.06 0.44 -0.46 -2.00 0.00 0.00 0.00 176.54 174.58 1x9f h LEU 78 N 0.49 0.74 -0.75 3.11 5.85 -0.98 -2.32 115.31 121.46 1x9f h LEU 78 Ca 0.12 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1x9f h LEU 78 Cb 0.38 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1x9f h LEU 78 CO 0.01 1.09 0.49 -0.78 -0.34 0.00 0.00 178.44 178.91 1x9f h ASP 79 N 0.55 0.87 0.19 1.25 -0.00 -0.82 -1.94 116.42 116.52 1x9f h ASP 79 Ca 0.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1x9f h ASP 79 Cb 1.01 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 40.12 1x9f h ASP 79 CO 0.10 0.64 -0.13 0.25 -0.00 0.00 0.00 179.24 180.10 1x9f h LEU 80 N 1.02 -0.33 0.07 2.28 5.85 -0.50 0.15 115.31 123.84 1x9f h LEU 80 Ca 0.28 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1x9f h LEU 80 Cb -0.10 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1x9f h LEU 80 CO -0.06 -0.21 -0.24 0.00 -0.34 0.00 0.00 178.44 177.59 1x9f h ALA 81 N 0.48 -0.37 -0.75 1.25 0.00 -1.30 -1.21 119.26 117.36 1x9f h ALA 81 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1x9f h ALA 81 Cb 0.28 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1x9f h ALA 81 CO 0.00 -0.76 0.46 0.82 0.00 0.00 0.00 179.25 179.77 1x9f h ILE 82 N -0.41 1.05 0.00 0.00 2.04 -1.30 -0.37 117.51 118.52 1x9f h ILE 82 Ca 0.04 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1x9f h ILE 82 Cb 0.46 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1x9f h ILE 82 CO -0.17 0.16 0.00 0.59 0.00 0.00 0.00 178.15 178.73 1x9f n ASN 83 N -4.67 0.00 -0.87 1.72 3.02 0.03 -2.16 115.26 112.33 1x9f n ASN 83 Ca 0.09 0.48 0.08 0.00 -0.03 0.00 0.00 54.58 55.21 1x9f n ASN 83 Cb 0.13 -0.49 0.18 0.00 -0.61 0.00 0.00 39.78 38.98 1x9f n ASN 83 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x9f n LEU 84 N -1.49 3.06 0.11 3.41 4.77 -0.21 -4.61 117.00 122.03 1x9f n LEU 84 Ca 0.04 -1.65 0.06 0.00 -0.03 0.00 0.00 56.01 54.44 1x9f n LEU 84 Cb 0.20 -0.23 0.52 0.00 -2.33 0.00 0.00 43.42 41.59 1x9f n LEU 84 CO 0.16 0.70 1.13 -0.07 -1.33 0.00 0.00 177.39 177.98 1x9f h LEU 85 N 3.17 0.27 -0.86 2.23 3.38 -0.89 -0.88 115.31 121.73 1x9f h LEU 85 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x9f h LEU 85 Cb 0.80 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1x9f h LEU 85 CO 0.00 0.19 0.00 -0.67 0.09 0.00 0.00 178.44 178.05 1x9f n ASP 86 N -4.50 1.03 -3.02 -0.43 4.64 -1.26 -4.18 116.55 108.83 1x9f n ASP 86 Ca 0.01 -2.05 -0.17 0.00 -1.38 0.00 0.00 54.79 51.20 1x9f n ASP 86 Cb 0.09 -0.33 -0.02 0.00 -1.04 0.00 0.00 41.12 39.81 1x9f n ASP 86 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1x9f n ASP 87 N -0.08 -1.41 -0.29 1.67 -0.08 -0.33 -5.05 116.55 110.98 1x9f n ASP 87 Ca 0.03 -2.88 0.11 0.00 -1.51 0.00 0.00 54.79 50.53 1x9f n ASP 87 Cb 0.23 0.50 0.26 0.00 2.34 0.00 0.00 41.12 44.45 1x9f n ASP 87 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x9f h PRO 88 N 4.36 0.20 -0.20 -0.67 0.13 -1.73 -0.99 132.00 133.09 1x9f h PRO 88 Ca 0.02 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 65.00 1x9f h PRO 88 Cb 0.96 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1x9f h PRO 88 CO 0.35 0.14 -0.44 -1.00 -0.23 0.00 0.00 178.00 176.81 1x9f h PRO 89 N 0.21 0.51 -0.36 1.56 0.13 -1.97 -1.22 132.00 130.86 1x9f h PRO 89 Ca 0.52 -0.27 -0.13 0.00 -0.87 0.00 0.00 66.00 65.25 1x9f h PRO 89 Cb 1.01 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1x9f h PRO 89 CO -0.64 0.85 -0.29 0.00 -0.23 0.00 0.00 178.00 177.70 1x9f h ALA 90 N 1.11 0.82 -0.61 -0.56 0.00 -1.63 -2.55 119.26 115.84 1x9f h ALA 90 Ca 0.03 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.58 1x9f h ALA 90 Cb 0.94 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1x9f h ALA 90 CO 0.08 0.64 0.34 1.25 0.00 0.00 0.00 179.25 181.57 1x9f h LEU 91 N 0.65 0.53 -0.71 0.00 5.85 -1.03 -2.12 115.31 118.47 1x9f h LEU 91 Ca 0.08 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1x9f h LEU 91 Cb 0.81 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1x9f h LEU 91 CO 0.07 0.35 0.32 0.44 -0.34 0.00 0.00 178.44 179.28 1x9f h ASP 92 N 0.66 0.94 -0.70 1.25 5.19 -1.03 0.19 116.42 122.92 1x9f h ASP 92 Ca 0.26 -0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1x9f h ASP 92 Cb 0.12 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.35 1x9f h ASP 92 CO -0.15 0.83 0.46 0.00 -3.12 0.00 0.00 179.24 177.26 1x9f h ALA 93 N 1.15 0.90 -0.25 3.45 0.00 -1.35 0.48 119.26 123.65 1x9f h ALA 93 Ca 0.24 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1x9f h ALA 93 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1x9f h ALA 93 CO -0.03 0.29 -0.11 0.00 0.00 0.00 0.00 179.25 179.40 1x9f h ALA 94 N 1.27 0.35 -0.11 0.00 0.00 -0.68 -1.69 119.26 118.41 1x9f h ALA 94 Ca 0.27 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1x9f h ALA 94 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1x9f h ALA 94 CO -0.07 0.20 -0.48 -0.07 0.00 0.00 0.00 179.25 178.83 1x9f h LEU 95 N 0.25 0.29 -0.29 0.00 3.38 -0.53 -1.52 115.31 116.89 1x9f h LEU 95 Ca 0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1x9f h LEU 95 Cb 0.61 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1x9f h LEU 95 CO 0.03 0.73 0.01 -0.78 0.09 0.00 0.00 178.44 178.52 1x9f h ASP 96 N 0.22 0.49 -0.22 -0.43 3.58 -0.84 0.26 116.42 119.48 1x9f h ASP 96 Ca 0.01 -0.30 0.05 0.00 0.42 0.00 0.00 57.03 57.21 1x9f h ASP 96 Cb 0.93 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.80 1x9f h ASP 96 CO 0.08 0.68 -0.09 -0.74 -2.88 0.00 0.00 179.24 176.28 1x9f h HIS 97 N 0.30 -0.21 -0.87 0.28 2.76 -1.14 -0.46 115.15 115.80 1x9f h HIS 97 Ca 0.08 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.34 1x9f h HIS 97 Cb 0.42 0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.44 1x9f h HIS 97 CO 0.03 -0.15 0.54 -0.07 -1.30 0.00 0.00 177.93 176.99 1x9f h LEU 98 N -0.06 0.84 -0.26 0.26 3.38 -1.14 -1.83 115.31 116.49 1x9f h LEU 98 Ca 0.12 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1x9f h LEU 98 Cb 0.23 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1x9f h LEU 98 CO -0.26 0.53 -0.14 0.00 0.09 0.00 0.00 178.44 178.66 1x9f h ALA 99 N 1.42 0.07 -0.41 1.53 0.00 0.52 -1.82 119.26 120.56 1x9f h ALA 99 Ca 0.39 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.43 1x9f h ALA 99 Cb 0.20 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1x9f h ALA 99 CO -0.18 -0.54 0.18 0.45 0.00 0.00 0.00 179.25 179.15 1x9f h HIS 100 N -0.11 0.33 -0.63 0.00 3.86 -0.73 -1.25 115.15 116.62 1x9f h HIS 100 Ca 0.14 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.44 1x9f h HIS 100 Cb 0.32 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 1x9f h HIS 100 CO -0.32 0.16 0.42 1.96 0.86 0.00 0.00 177.93 181.00 1x9f h GLN 101 N 0.37 0.57 0.00 2.45 4.20 -0.66 -1.78 115.11 120.26 1x9f h GLN 101 Ca 0.18 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.61 1x9f h GLN 101 Cb 0.12 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1x9f h GLN 101 CO -0.15 0.37 -1.28 0.45 -0.67 0.00 0.00 178.83 177.55 1x9f h HIS 102 N 0.58 0.01 -0.71 2.96 3.86 -1.05 -3.33 115.15 117.48 1x9f h HIS 102 Ca 0.28 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.57 1x9f h HIS 102 Cb 0.34 -0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.74 1x9f h HIS 102 CO -0.00 1.01 0.37 1.49 0.86 0.00 0.00 177.93 181.66 1x9f h GLU 103 N 0.00 0.61 0.00 2.45 4.81 -0.38 -1.26 114.58 120.82 1x9f h GLU 103 Ca -0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1x9f h GLU 103 Cb 1.87 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.11 1x9f h GLU 103 CO 0.11 0.41 0.00 1.33 -0.73 0.00 0.00 179.01 180.13 1x9f n VAL 104 N -4.84 0.00 -3.65 0.32 0.24 -0.92 -4.55 118.33 104.93 1x9f n VAL 104 Ca 0.11 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.02 1x9f n VAL 104 Cb 0.26 -0.36 -0.12 0.00 -1.47 0.00 0.00 33.84 32.15 1x9f n VAL 104 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1x9f s ARG 105 N -2.00 3.08 0.28 7.34 1.81 -0.48 -5.08 118.95 123.91 1x9f s ARG 105 Ca 0.20 -0.89 -0.29 0.00 -1.72 0.00 0.00 55.73 53.02 1x9f s ARG 105 Cb 0.09 -3.60 -0.10 0.00 -0.45 0.00 0.00 34.95 30.89 1x9f s ARG 105 CO 0.15 -0.54 1.29 -1.83 -0.68 0.00 0.00 175.30 173.69 1x9f s GLU 106 N 1.57 4.40 0.00 3.54 -1.05 -1.26 -3.36 118.70 122.53 1x9f s GLU 106 Ca 0.03 2.12 0.00 0.00 -0.15 0.00 0.00 54.97 56.97 1x9f s GLU 106 Cb -0.18 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 1x9f s GLU 106 CO 0.06 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.52 1x9f n GLY 107 N 1.37 2.96 3.67 -3.83 0.00 -1.26 -4.95 105.19 103.15 1x9f n GLY 107 Ca 0.02 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1x9f n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x9f s VAL 108 N -1.28 3.11 0.11 1.61 1.01 -1.21 -4.97 120.40 118.77 1x9f s VAL 108 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1x9f s VAL 108 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1x9f s VAL 108 CO 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 175.10 175.01 1x9f s GLN 109 N 4.04 0.87 0.38 2.72 -2.07 -1.26 -4.93 119.66 119.41 1x9f s GLN 109 Ca 0.83 -1.34 0.19 0.00 -1.82 0.00 0.00 55.36 53.21 1x9f s GLN 109 Cb -0.40 -0.29 1.14 0.00 -1.09 0.00 0.00 33.01 32.36 1x9f s GLN 109 CO 0.37 0.00 1.71 0.87 -1.32 0.00 0.00 175.29 176.92 1x9f h LYS 110 N 2.98 0.33 -0.43 9.60 1.57 -1.92 0.33 116.57 129.03 1x9f h LYS 110 Ca -0.36 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1x9f h LYS 110 Cb 1.17 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1x9f h LYS 110 CO 0.64 0.22 0.28 0.00 -0.57 0.00 0.00 179.45 180.02 1x9f h ALA 111 N 1.69 1.70 -0.62 3.86 0.00 -1.98 -1.67 119.26 122.24 1x9f h ALA 111 Ca 0.68 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.50 1x9f h ALA 111 Cb 1.74 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1x9f h ALA 111 CO -0.42 0.28 0.12 0.45 0.00 0.00 0.00 179.25 179.67 1x9f h HIS 112 N 0.57 1.07 0.00 0.00 3.86 -1.33 -2.46 115.15 116.87 1x9f h HIS 112 Ca 0.16 -0.14 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 1x9f h HIS 112 Cb -0.06 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 1x9f h HIS 112 CO -0.00 0.91 -0.43 0.74 0.86 0.00 0.00 177.93 180.01 1x9f h PHE 113 N 0.92 0.00 -0.23 2.45 -1.00 -1.35 -0.75 116.94 116.98 1x9f h PHE 113 Ca 0.19 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.82 1x9f h PHE 113 Cb 0.40 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1x9f h PHE 113 CO 0.03 0.43 -0.48 -0.22 -1.61 0.00 0.00 178.31 176.47 1x9f h LYS 114 N 0.00 0.60 -0.15 1.51 3.64 -1.18 -2.20 116.57 118.78 1x9f h LYS 114 Ca -0.00 -0.34 -0.06 0.00 -1.27 0.00 0.00 60.65 58.97 1x9f h LYS 114 Cb 0.85 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1x9f h LYS 114 CO 0.06 0.94 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.82 1x9f h LYS 115 N 0.48 0.36 -0.58 1.90 3.11 -1.22 -2.93 116.57 117.69 1x9f h LYS 115 Ca 0.03 -0.19 0.10 0.00 -2.81 0.00 0.00 60.65 57.77 1x9f h LYS 115 Cb 1.01 0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 32.17 1x9f h LYS 115 CO 0.09 0.74 0.16 0.35 -2.81 0.00 0.00 179.45 177.99 1x9f h PHE 116 N -0.01 0.27 -0.82 1.91 3.04 -1.12 0.23 116.94 120.45 1x9f h PHE 116 Ca 0.02 0.03 0.14 0.00 3.98 0.00 0.00 57.97 62.15 1x9f h PHE 116 Cb 0.68 -0.03 -0.09 0.00 2.56 0.00 0.00 35.95 39.06 1x9f h PHE 116 CO 0.08 0.03 0.40 0.78 -2.02 0.00 0.00 178.31 177.58 1x9f h GLY 117 N 0.31 1.30 0.77 2.40 0.00 -1.38 0.38 103.07 106.86 1x9f h GLY 117 Ca 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1x9f h GLY 117 CO -0.34 -0.04 -0.02 0.83 0.00 0.00 0.00 176.54 176.96 1x9f h GLU 118 N 0.58 0.28 -0.92 4.80 5.08 -0.98 -0.22 114.58 123.21 1x9f h GLU 118 Ca 0.44 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1x9f h GLU 118 Cb 0.62 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1x9f h GLU 118 CO -0.36 0.54 0.61 0.82 -1.00 0.00 0.00 179.01 179.62 1x9f h ILE 119 N -0.01 1.21 -0.59 3.13 2.04 -0.40 -1.51 117.51 121.39 1x9f h ILE 119 Ca 0.04 -0.42 -0.11 0.00 1.00 0.00 0.00 64.86 65.37 1x9f h ILE 119 Cb 0.43 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1x9f h ILE 119 CO 0.01 0.22 -0.05 0.25 0.00 0.00 0.00 178.15 178.59 1x9f h LEU 120 N 1.23 1.06 -1.13 1.44 5.85 -0.17 -0.35 115.31 123.23 1x9f h LEU 120 Ca 0.35 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1x9f h LEU 120 Cb -0.10 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 1x9f h LEU 120 CO -0.09 1.13 -0.03 0.00 -0.34 0.00 0.00 178.44 179.11 1x9f h ALA 121 N 0.96 1.29 0.05 1.25 0.00 -0.62 -2.02 119.26 120.17 1x9f h ALA 121 Ca 0.16 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1x9f h ALA 121 Cb 0.62 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.27 1x9f h ALA 121 CO 0.04 0.48 -0.74 1.15 0.00 0.00 0.00 179.25 180.18 1x9f h THR 122 N 0.54 1.43 -0.06 0.00 2.02 -1.05 -3.38 112.91 112.41 1x9f h THR 122 Ca 0.11 -2.23 -0.18 0.00 0.77 0.00 0.00 66.41 64.87 1x9f h THR 122 Cb 0.39 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 1x9f h THR 122 CO 0.02 0.65 -0.75 1.23 0.37 0.00 0.00 175.52 177.04 1x9f h GLY 123 N -0.11 0.38 0.99 2.16 0.00 -1.00 -3.35 103.07 102.13 1x9f h GLY 123 Ca -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1x9f h GLY 123 CO 0.14 0.50 0.01 1.41 0.00 0.00 0.00 176.54 178.60 1x9f h LEU 124 N 0.23 0.02 -2.85 3.11 3.38 -1.53 -1.44 115.31 116.22 1x9f h LEU 124 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1x9f h LEU 124 Cb 1.33 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1x9f h LEU 124 CO 0.12 0.03 0.00 1.55 0.09 0.00 0.00 178.44 180.23 1x9f h PRO 125 N 0.01 0.00 0.00 1.13 0.13 -1.76 0.10 132.00 131.61 1x9f h PRO 125 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1x9f h PRO 125 Cb 0.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 1x9f h PRO 125 CO -0.00 0.00 -0.03 1.96 -0.23 0.00 0.00 178.00 179.70 1x9f h GLN 126 N 0.00 0.00 0.00 0.86 4.20 -1.40 -3.29 115.11 115.48 1x9f h GLN 126 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1x9f h GLN 126 Cb 0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1x9f h GLN 126 CO 0.00 0.03 -1.70 1.33 -0.67 0.00 0.00 178.83 177.82 1x9f n VAL 127 N -3.12 0.63 -3.64 -0.54 0.24 -0.30 -4.96 118.33 106.64 1x9f n VAL 127 Ca 0.02 -0.42 -0.38 0.00 -2.04 0.00 0.00 64.34 61.51 1x9f n VAL 127 Cb 0.41 -0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 32.07 1x9f n VAL 127 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1x9f s LEU 128 N -4.65 3.93 0.00 1.34 1.43 0.21 -4.95 118.68 115.99 1x9f s LEU 128 Ca -0.05 -0.20 0.25 0.00 -1.03 0.00 0.00 54.13 53.10 1x9f s LEU 128 Cb 0.04 -2.05 1.51 0.00 0.03 0.00 0.00 46.19 45.72 1x9f s LEU 128 CO 0.44 -0.09 1.96 -0.90 0.23 0.00 0.00 176.35 177.99 1x9f n ASP 129 N 5.01 0.00 -3.88 2.29 5.68 -1.26 -4.44 116.55 119.95 1x9f n ASP 129 Ca -0.14 -1.18 -0.29 0.00 -0.50 0.00 0.00 54.79 52.67 1x9f n ASP 129 Cb 0.51 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.33 1x9f n ASP 129 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x9f s ASP 130 N -1.80 3.54 -0.24 -1.12 3.68 -1.26 -5.10 116.67 114.36 1x9f s ASP 130 Ca 0.38 -1.05 -0.02 0.00 2.13 0.00 0.00 52.55 53.99 1x9f s ASP 130 Cb 0.17 -1.01 0.12 0.00 -1.45 0.00 0.00 42.92 40.75 1x9f s ASP 130 CO 0.29 -0.25 0.30 -0.47 0.13 0.00 0.00 175.17 175.17 1x9f s TYR 131 N 1.53 -0.54 -0.55 -5.34 5.04 -1.26 -4.86 117.35 111.36 1x9f s TYR 131 Ca -0.04 0.32 -0.28 0.00 -2.44 0.00 0.00 57.07 54.63 1x9f s TYR 131 Cb -0.18 -0.26 0.03 0.00 0.35 0.00 0.00 41.96 41.90 1x9f s TYR 131 CO -0.07 -0.75 1.14 0.34 -1.34 0.00 0.00 175.55 174.88 1x9f s ASP 132 N 2.42 6.47 0.32 4.32 2.15 -1.26 -4.90 116.67 126.18 1x9f s ASP 132 Ca 0.10 0.12 0.01 0.00 0.43 0.00 0.00 52.55 53.21 1x9f s ASP 132 Cb -0.15 -2.53 0.52 0.00 -0.30 0.00 0.00 42.92 40.45 1x9f s ASP 132 CO -0.20 -1.39 1.92 0.00 -0.17 0.00 0.00 175.17 175.33 1x9f h ALA 133 N 9.44 1.38 -0.23 3.66 0.00 -1.99 -2.44 119.26 129.07 1x9f h ALA 133 Ca -0.25 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1x9f h ALA 133 Cb 1.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1x9f h ALA 133 CO 1.16 0.48 -0.21 -0.07 0.00 0.00 0.00 179.25 180.61 1x9f h LEU 134 N 0.82 0.58 -0.41 0.00 3.38 -1.99 -1.25 115.31 116.43 1x9f h LEU 134 Ca 0.20 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1x9f h LEU 134 Cb 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1x9f h LEU 134 CO -0.03 0.92 0.07 0.00 0.09 0.00 0.00 178.44 179.50 1x9f h ALA 135 N 0.67 0.55 -0.30 1.53 0.00 -1.89 -2.51 119.26 117.31 1x9f h ALA 135 Ca 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1x9f h ALA 135 Cb 0.75 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1x9f h ALA 135 CO 0.05 0.26 0.02 -1.49 0.00 0.00 0.00 179.25 178.09 1x9f h TRP 136 N 0.53 0.55 -0.23 0.00 4.06 -1.46 -1.99 115.95 117.41 1x9f h TRP 136 Ca 0.13 -0.09 0.06 0.00 2.06 0.00 0.00 58.89 61.05 1x9f h TRP 136 Cb 0.37 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 28.32 1x9f h TRP 136 CO 0.03 0.63 -0.21 -0.22 -3.56 0.00 0.00 178.44 175.10 1x9f h LYS 137 N 0.31 -0.20 -0.44 0.49 3.64 -1.14 0.42 116.57 119.65 1x9f h LYS 137 Ca 0.09 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 1x9f h LYS 137 Cb 0.39 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1x9f h LYS 137 CO 0.01 -0.14 -0.26 0.66 -2.27 0.00 0.00 179.45 177.45 1x9f h SER 138 N -0.21 1.00 -0.20 4.20 4.64 -1.45 -1.14 113.55 120.38 1x9f h SER 138 Ca 0.13 -0.42 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 1x9f h SER 138 Cb 0.42 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1x9f h SER 138 CO -0.36 1.20 -0.02 0.00 -0.87 0.00 0.00 176.83 176.78 1x9f h LEU 140 N 0.11 0.93 -0.18 0.00 3.38 -0.15 -2.50 115.31 116.90 1x9f h LEU 140 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1x9f h LEU 140 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1x9f h LEU 140 CO 0.01 0.61 0.11 0.50 0.09 0.00 0.00 178.44 179.76 1x9f h LYS 141 N 1.08 0.25 -0.81 1.13 3.64 -1.12 -0.37 116.57 120.36 1x9f h LYS 141 Ca 0.39 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.81 1x9f h LYS 141 Cb 0.13 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 1x9f h LYS 141 CO -0.16 0.20 0.49 0.78 -2.27 0.00 0.00 179.45 178.49 1x9f h GLY 142 N 0.22 1.23 0.55 5.01 0.00 -1.22 -0.28 103.07 108.58 1x9f h GLY 142 Ca 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1x9f h GLY 142 CO -0.01 0.22 -0.14 -2.22 0.00 0.00 0.00 176.54 174.39 1x9f h ILE 143 N 0.89 0.64 -0.98 2.60 2.04 -1.14 -2.43 117.51 119.13 1x9f h ILE 143 Ca 0.36 -0.74 0.11 0.00 1.00 0.00 0.00 64.86 65.59 1x9f h ILE 143 Cb 0.20 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 37.17 1x9f h ILE 143 CO -0.18 0.13 0.62 -0.07 0.00 0.00 0.00 178.15 178.65 1x9f h LEU 144 N -0.85 0.90 -0.58 1.44 3.38 -1.04 -1.43 115.31 117.12 1x9f h LEU 144 Ca -0.04 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1x9f h LEU 144 Cb 0.52 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1x9f h LEU 144 CO 0.07 0.50 0.05 0.74 0.09 0.00 0.00 178.44 179.88 1x9f h THR 145 N 0.98 1.26 -0.28 0.22 2.02 -1.07 -2.25 112.91 113.79 1x9f h THR 145 Ca 0.47 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.51 1x9f h THR 145 Cb 0.46 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1x9f h THR 145 CO -0.23 0.38 -0.15 0.50 0.37 0.00 0.00 175.52 176.40 1x9f h LYS 146 N 0.88 0.59 -0.37 6.66 1.63 -0.86 -1.45 116.57 123.66 1x9f h LYS 146 Ca 0.17 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 1x9f h LYS 146 Cb 0.48 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1x9f h LYS 146 CO 0.02 0.84 0.04 0.82 -3.45 0.00 0.00 179.45 177.71 1x9f h ILE 147 N 0.34 1.19 -0.12 2.00 2.04 -1.32 -3.16 117.51 118.48 1x9f h ILE 147 Ca 0.06 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1x9f h ILE 147 Cb 0.67 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1x9f h ILE 147 CO 0.04 0.26 0.00 -1.54 0.00 0.00 0.00 178.15 176.91 1x9f n SER 148 N -4.29 2.62 0.17 1.72 3.41 -0.85 -4.08 113.62 112.33 1x9f n SER 148 Ca 0.02 -1.86 0.05 0.00 -0.26 0.00 0.00 58.87 56.82 1x9f n SER 148 Cb 0.23 -0.06 0.49 0.00 -0.26 0.00 0.00 64.21 64.60 1x9f n SER 148 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1x9f h SER 149 N 3.87 0.12 -0.30 4.04 4.64 -1.23 -2.74 113.55 121.96 1x9f h SER 149 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1x9f h SER 149 Cb 0.83 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1x9f h SER 149 CO 0.00 0.22 0.00 0.54 -0.87 0.00 0.00 176.83 176.72 1x9f n ARG 150 N -4.38 2.27 0.00 4.77 1.74 -1.26 -5.13 116.66 114.67 1x9f n ARG 150 Ca -0.01 -1.32 0.12 0.00 -0.77 0.00 0.00 57.85 55.87 1x9f n ARG 150 Cb 0.19 -1.55 0.17 0.00 -1.02 0.00 0.00 32.46 30.25 1x9f n ARG 150 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39