#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cio s VAL 1 N 0.00 0.40 0.28 3.17 1.01 -1.26 -5.06 120.40 118.93 1cio s VAL 1 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 1cio s VAL 1 Cb 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 1cio s VAL 1 CO 0.00 0.22 0.74 -0.76 0.00 0.00 0.00 175.10 175.30 1cio s LEU 2 N 1.29 4.21 0.74 3.92 1.02 -1.26 -5.07 118.68 123.53 1cio s LEU 2 Ca -0.05 1.38 -0.11 0.00 0.02 0.00 0.00 54.13 55.36 1cio s LEU 2 Cb -0.13 -3.85 0.04 0.00 0.02 0.00 0.00 46.19 42.27 1cio s LEU 2 CO -0.02 -0.09 1.10 -0.94 0.02 0.00 0.00 176.35 176.42 1cio s SER 3 N -1.94 5.05 0.29 2.29 1.04 -1.26 -4.88 113.70 114.29 1cio s SER 3 Ca 0.49 1.22 -0.03 0.00 0.48 0.00 0.00 55.95 58.11 1cio s SER 3 Cb -0.14 -2.00 0.41 0.00 0.10 0.00 0.00 66.02 64.39 1cio s SER 3 CO 0.19 -1.61 1.95 -0.08 0.98 0.00 0.00 173.24 174.68 1cio h GLU 4 N -0.84 1.11 -0.47 4.02 4.57 -1.99 -1.72 114.58 119.26 1cio h GLU 4 Ca -0.46 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 57.60 1cio h GLU 4 Cb 1.26 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 1cio h GLU 4 CO 0.62 0.75 0.09 0.78 -1.18 0.00 0.00 179.01 180.07 1cio h GLY 5 N 1.14 0.77 0.84 1.92 0.00 -1.99 0.13 103.07 105.88 1cio h GLY 5 Ca 0.30 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1cio h GLY 5 CO -0.06 0.42 0.04 0.83 0.00 0.00 0.00 176.54 177.76 1cio h GLU 6 N 0.70 0.19 -0.61 4.80 5.08 -1.82 -2.45 114.58 120.47 1cio h GLU 6 Ca 0.15 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1cio h GLU 6 Cb 0.29 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1cio h GLU 6 CO 0.00 0.34 0.26 -1.49 -1.00 0.00 0.00 179.01 177.12 1cio h TRP 7 N 0.01 0.87 -0.75 4.33 4.06 -0.86 -2.23 115.95 121.38 1cio h TRP 7 Ca 0.04 -0.04 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1cio h TRP 7 Cb 0.23 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 28.08 1cio h TRP 7 CO 0.00 0.66 0.35 1.96 -3.56 0.00 0.00 178.44 177.85 1cio h GLN 8 N 0.87 1.08 -0.69 0.49 1.08 -0.49 0.05 115.11 117.49 1cio h GLN 8 Ca 0.21 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1cio h GLN 8 Cb 0.14 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 1cio h GLN 8 CO -0.02 0.84 0.37 -0.07 -0.95 0.00 0.00 178.83 179.00 1cio h LEU 9 N 1.07 0.87 0.00 1.46 3.38 -0.99 -0.31 115.31 120.79 1cio h LEU 9 Ca 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1cio h LEU 9 Cb 0.13 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1cio h LEU 9 CO -0.03 0.72 -0.00 0.58 0.09 0.00 0.00 178.44 179.80 1cio h VAL 10 N 0.95 1.14 0.00 1.22 2.07 -1.04 -2.94 116.25 117.65 1cio h VAL 10 Ca 0.24 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1cio h VAL 10 Cb 0.05 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1cio h VAL 10 CO -0.04 0.11 -0.31 -0.07 0.02 0.00 0.00 177.57 177.28 1cio h LEU 11 N -0.18 0.00 -0.14 2.57 3.38 -0.88 -1.22 115.31 118.83 1cio h LEU 11 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1cio h LEU 11 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1cio h LEU 11 CO 0.00 0.31 -0.00 -0.74 0.09 0.00 0.00 178.44 178.10 1cio h HIS 12 N 0.00 0.27 -0.06 1.13 2.76 -1.03 -1.32 115.15 116.90 1cio h HIS 12 Ca -0.00 -0.05 -0.15 0.00 -2.20 0.00 0.00 60.37 57.97 1cio h HIS 12 Cb 0.95 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 1cio h HIS 12 CO 0.00 0.48 -0.62 -0.24 -1.30 0.00 0.00 177.93 176.26 1cio h VAL 13 N -0.02 1.39 -0.35 5.26 3.04 -1.41 -3.00 116.25 121.18 1cio h VAL 13 Ca 0.04 -2.02 -0.02 0.00 -1.01 0.00 0.00 66.70 63.69 1cio h VAL 13 Cb 0.38 2.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.67 1cio h VAL 13 CO 0.01 0.59 0.12 -0.25 -1.01 0.00 0.00 177.57 177.03 1cio h TRP 14 N 0.17 0.49 -0.05 3.17 2.91 -1.09 -1.26 115.95 120.28 1cio h TRP 14 Ca -0.01 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.97 1cio h TRP 14 Cb 1.13 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.62 1cio h TRP 14 CO 0.02 0.40 -0.07 0.00 -1.03 0.00 0.00 178.44 177.76 1cio h ALA 15 N 1.65 1.79 -0.03 2.65 0.00 -1.09 -0.96 119.26 123.27 1cio h ALA 15 Ca 0.12 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1cio h ALA 15 Cb 0.13 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1cio h ALA 15 CO -0.01 0.16 -0.81 0.87 0.00 0.00 0.00 179.25 179.46 1cio h LYS 16 N 0.07 0.61 -0.80 0.00 1.79 -1.29 -3.17 116.57 113.78 1cio h LYS 16 Ca 0.02 -0.61 0.15 0.00 -2.18 0.00 0.00 60.65 58.03 1cio h LYS 16 Cb 0.17 0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 30.89 1cio h LYS 16 CO 0.01 1.22 0.35 0.28 -1.08 0.00 0.00 179.45 180.23 1cio h VAL 17 N 0.23 0.65 0.00 0.50 2.07 -0.79 -1.94 116.25 116.97 1cio h VAL 17 Ca -0.09 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1cio h VAL 17 Cb 1.47 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1cio h VAL 17 CO 0.16 0.09 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 1cio n GLU 18 N -4.97 0.10 0.17 1.57 1.02 -0.42 -1.30 120.64 116.80 1cio n GLU 18 Ca 0.16 0.43 0.13 0.00 -0.02 0.00 0.00 57.16 57.87 1cio n GLU 18 Cb 0.46 -1.73 0.53 0.00 -0.02 0.00 0.00 31.44 30.67 1cio n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cio h ALA 19 N 2.24 1.00 -1.02 0.62 0.00 -1.36 -3.36 119.26 117.37 1cio h ALA 19 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1cio h ALA 19 Cb 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.74 1cio h ALA 19 CO 0.00 0.00 -0.77 -3.47 0.00 0.00 0.00 179.25 175.01 1cio n ASP 20 N -2.46 -1.58 -0.17 0.00 2.03 -0.42 -5.01 116.55 108.94 1cio n ASP 20 Ca 0.02 -2.97 -0.09 0.00 0.52 0.00 0.00 54.79 52.27 1cio n ASP 20 Cb 0.27 0.70 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 1cio n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1cio h VAL 21 N 2.88 1.24 -0.84 5.18 2.07 -1.71 -2.25 116.25 122.82 1cio h VAL 21 Ca -0.02 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1cio h VAL 21 Cb 0.97 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1cio h VAL 21 CO 0.36 0.31 0.47 0.00 0.02 0.00 0.00 177.57 178.73 1cio h ALA 22 N 0.97 1.07 -0.25 1.67 0.00 -1.91 0.02 119.26 120.84 1cio h ALA 22 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1cio h ALA 22 Cb 0.35 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1cio h ALA 22 CO 0.00 0.57 0.04 0.78 0.00 0.00 0.00 179.25 180.64 1cio h GLY 23 N 1.16 0.44 1.08 0.00 0.00 -1.92 -1.84 103.07 102.00 1cio h GLY 23 Ca 0.30 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1cio h GLY 23 CO -0.05 0.28 0.02 0.45 0.00 0.00 0.00 176.54 177.23 1cio h HIS 24 N 0.22 1.18 -0.71 5.60 3.86 -1.24 -1.76 115.15 122.29 1cio h HIS 24 Ca 0.07 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 1cio h HIS 24 Cb 0.33 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 1cio h HIS 24 CO 0.02 1.03 0.30 0.78 0.86 0.00 0.00 177.93 180.92 1cio h GLY 25 N 0.99 1.13 0.92 2.45 0.00 -0.80 -0.93 103.07 106.84 1cio h GLY 25 Ca 0.18 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1cio h GLY 25 CO 0.03 0.57 -0.00 -1.61 0.00 0.00 0.00 176.54 175.53 1cio h GLN 26 N 1.01 -0.01 -0.81 4.80 4.15 -1.24 -2.30 115.11 120.72 1cio h GLN 26 Ca 0.24 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.71 1cio h GLN 26 Cb 0.19 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 1cio h GLN 26 CO -0.02 0.07 0.50 -0.44 -1.93 0.00 0.00 178.83 177.01 1cio h ASP 27 N -0.08 0.81 -0.26 -0.69 3.32 -1.05 -1.27 116.42 117.19 1cio h ASP 27 Ca -0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1cio h ASP 27 Cb 0.08 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1cio h ASP 27 CO 0.00 0.53 -0.07 0.40 -1.72 0.00 0.00 179.24 178.39 1cio h ILE 28 N 0.95 1.29 -0.33 0.35 2.04 -1.06 -1.01 117.51 119.73 1cio h ILE 28 Ca 0.34 -1.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.00 1cio h ILE 28 Cb 0.10 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1cio h ILE 28 CO -0.15 0.34 -0.27 -0.07 0.00 0.00 0.00 178.15 178.01 1cio h LEU 29 N 0.25 0.67 -0.45 1.44 3.38 -1.29 -0.61 115.31 118.71 1cio h LEU 29 Ca 0.06 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1cio h LEU 29 Cb 0.54 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1cio h LEU 29 CO 0.03 0.91 -0.11 0.40 0.09 0.00 0.00 178.44 179.76 1cio h ILE 30 N 0.57 1.27 -0.89 1.22 2.04 -1.20 -1.08 117.51 119.45 1cio h ILE 30 Ca 0.08 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 1cio h ILE 30 Cb 0.75 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1cio h ILE 30 CO 0.06 0.42 0.51 -0.09 0.00 0.00 0.00 178.15 179.05 1cio h ARG 31 N 0.70 1.22 -0.20 2.37 9.65 -0.95 0.39 114.38 127.56 1cio h ARG 31 Ca 0.11 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1cio h ARG 31 Cb 0.65 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 1cio h ARG 31 CO 0.04 0.87 0.11 1.25 2.80 0.00 0.00 179.97 185.05 1cio h LEU 32 N 1.23 0.25 -0.70 3.80 5.85 -0.81 -1.76 115.31 123.17 1cio h LEU 32 Ca 0.32 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 1cio h LEU 32 Cb -0.02 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1cio h LEU 32 CO -0.06 0.27 -0.44 -0.26 -0.34 0.00 0.00 178.44 177.62 1cio h PHE 33 N 0.22 0.57 -0.31 1.25 0.04 -0.81 0.47 116.94 118.37 1cio h PHE 33 Ca 0.07 -0.17 -0.08 0.00 2.80 0.00 0.00 57.97 60.59 1cio h PHE 33 Cb 0.08 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1cio h PHE 33 CO -0.04 0.83 -0.13 0.87 -0.60 0.00 0.00 178.31 179.25 1cio h LYS 34 N 0.38 0.64 -0.01 1.51 1.57 -0.86 -2.99 116.57 116.81 1cio h LYS 34 Ca 0.03 -0.27 -0.21 0.00 -1.87 0.00 0.00 60.65 58.33 1cio h LYS 34 Cb 0.93 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 1cio h LYS 34 CO 0.08 0.85 -0.88 0.77 -0.57 0.00 0.00 179.45 179.70 1cio h SER 35 N 0.40 0.41 -2.21 0.86 0.02 -1.23 -3.40 113.55 108.40 1cio h SER 35 Ca 0.07 -0.32 -0.58 0.00 -0.84 0.00 0.00 61.79 60.13 1cio h SER 35 Cb 0.64 -0.12 -0.38 0.00 0.14 0.00 0.00 62.40 62.68 1cio h SER 35 CO 0.04 1.10 -1.03 1.41 -1.14 0.00 0.00 176.83 177.21 1cio n HIS 36 N -3.73 -0.66 0.14 3.45 8.25 0.15 -4.99 115.22 117.82 1cio n HIS 36 Ca -0.05 -3.42 0.18 0.00 -0.26 0.00 0.00 57.72 54.17 1cio n HIS 36 Cb 0.80 -0.00 0.77 0.00 1.12 0.00 0.00 29.99 32.68 1cio n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1cio h PRO 37 N 4.93 0.00 0.00 -0.41 0.11 -1.72 -0.74 132.00 134.17 1cio h PRO 37 Ca 0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 1cio h PRO 37 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1cio h PRO 37 CO 0.41 0.00 -0.17 1.05 -0.21 0.00 0.00 178.00 179.08 1cio h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -2.09 114.58 120.71 1cio h GLU 38 Ca 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.52 1cio h GLU 38 Cb 0.75 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1cio h GLU 38 CO -0.00 0.17 -0.17 1.79 0.05 0.00 0.00 179.01 180.86 1cio h THR 39 N 0.00 0.52 0.00 -1.06 1.35 -1.47 -2.56 112.91 109.69 1cio h THR 39 Ca -0.00 -0.82 -0.01 0.00 -0.55 0.00 0.00 66.41 65.04 1cio h THR 39 Cb 0.37 1.55 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1cio h THR 39 CO 0.02 0.16 -0.03 0.25 -0.25 0.00 0.00 175.52 175.68 1cio h LEU 40 N 0.00 0.00 -2.23 3.87 5.85 -1.55 -2.47 115.31 118.78 1cio h LEU 40 Ca -0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1cio h LEU 40 Cb 0.54 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1cio h LEU 40 CO 0.02 0.03 0.11 -0.33 -0.34 0.00 0.00 178.44 177.93 1cio h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.59 -1.20 114.58 118.12 1cio h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cio h GLU 41 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1cio h GLU 41 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1cio n LYS 42 N -4.04 0.17 -3.61 2.33 4.76 -0.93 -4.54 118.16 112.29 1cio n LYS 42 Ca -0.00 0.31 -0.39 0.00 -2.87 0.00 0.00 58.31 55.35 1cio n LYS 42 Cb 0.22 -1.77 -0.08 0.00 -1.84 0.00 0.00 35.03 31.56 1cio n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1cio s PHE 43 N -3.19 3.49 0.55 2.13 0.40 -0.45 -4.91 117.98 116.00 1cio s PHE 43 Ca 0.07 -2.27 0.24 0.00 -0.60 0.00 0.00 56.93 54.36 1cio s PHE 43 Cb 0.11 -3.40 1.49 0.00 0.51 0.00 0.00 43.02 41.73 1cio s PHE 43 CO 0.44 -0.94 2.12 -0.44 0.70 0.00 0.00 175.22 177.10 1cio h ASP 44 N 7.79 0.00 0.14 1.36 3.32 -1.82 -1.24 116.42 125.96 1cio h ASP 44 Ca -0.08 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1cio h ASP 44 Cb 1.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1cio h ASP 44 CO 0.77 0.00 -0.29 -0.09 -1.72 0.00 0.00 179.24 177.91 1cio h ARG 45 N 0.00 0.24 -0.00 3.56 2.43 -1.93 -3.35 114.38 115.33 1cio h ARG 45 Ca 0.08 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1cio h ARG 45 Cb 0.37 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1cio h ARG 45 CO -0.00 0.51 -0.08 1.19 -1.51 0.00 0.00 179.97 180.08 1cio n PHE 46 N -4.13 0.00 -0.21 2.20 3.72 -0.60 -4.79 117.46 113.66 1cio n PHE 46 Ca -0.01 0.00 0.31 0.00 -0.05 0.00 0.00 57.45 57.69 1cio n PHE 46 Cb 0.39 0.00 0.73 0.00 -0.94 0.00 0.00 39.48 39.65 1cio n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1cio h LYS 47 N 0.10 0.00 0.00 -1.08 3.64 -1.41 -1.81 116.57 116.01 1cio h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1cio h LYS 47 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1cio h LYS 47 CO 0.00 0.00 -0.23 1.12 -2.27 0.00 0.00 179.45 178.07 1cio h HIS 48 N 0.00 0.00 -3.06 1.91 2.07 -1.86 -3.47 115.15 110.74 1cio h HIS 48 Ca 0.46 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.45 1cio h HIS 48 Cb 1.95 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.95 1cio h HIS 48 CO 0.00 0.00 0.69 -0.51 -3.07 0.00 0.00 177.93 175.04 1cio s LEU 49 N -4.70 4.37 -0.17 6.12 1.43 -0.68 -4.91 118.68 120.14 1cio s LEU 49 Ca 0.08 2.28 0.16 0.00 -1.03 0.00 0.00 54.13 55.62 1cio s LEU 49 Cb 0.12 -3.59 -0.22 0.00 0.03 0.00 0.00 46.19 42.53 1cio s LEU 49 CO 0.65 -0.61 0.06 0.29 0.23 0.00 0.00 176.35 176.97 1cio n LYS 50 N 3.86 1.14 -4.27 1.70 5.02 -1.26 -5.00 118.16 119.33 1cio n LYS 50 Ca 0.11 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 1cio n LYS 50 Cb 0.43 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 1cio n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1cio s THR 51 N -2.43 1.06 0.32 -0.18 -4.23 -1.26 -5.03 115.64 103.89 1cio s THR 51 Ca -0.09 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.41 1cio s THR 51 Cb 0.05 -2.04 0.29 0.00 1.34 0.00 0.00 72.50 72.14 1cio s THR 51 CO 0.72 -0.58 1.91 -0.08 -0.54 0.00 0.00 174.62 176.05 1cio h GLU 52 N 2.67 0.89 -0.86 3.99 4.81 -1.99 -1.14 114.58 122.95 1cio h GLU 52 Ca -0.37 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1cio h GLU 52 Cb 1.20 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1cio h GLU 52 CO 0.64 0.59 0.52 0.00 -0.73 0.00 0.00 179.01 180.03 1cio h ALA 53 N 1.55 1.10 -0.46 2.92 0.00 -1.99 0.30 119.26 122.67 1cio h ALA 53 Ca 0.38 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 1cio h ALA 53 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1cio h ALA 53 CO -0.15 0.56 -0.22 0.93 0.00 0.00 0.00 179.25 180.37 1cio h GLU 54 N 1.18 0.94 -0.67 0.00 5.08 -1.75 -2.26 114.58 117.10 1cio h GLU 54 Ca 0.31 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1cio h GLU 54 Cb -0.05 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1cio h GLU 54 CO -0.06 1.06 0.44 0.52 -1.00 0.00 0.00 179.01 179.97 1cio h MET 55 N 0.81 0.89 -0.06 2.33 2.86 -0.67 -2.38 114.93 118.71 1cio h MET 55 Ca 0.11 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1cio h MET 55 Cb 0.78 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1cio h MET 55 CO 0.06 0.60 -0.09 0.87 1.06 0.00 0.00 176.91 179.41 1cio h LYS 56 N 0.91 0.08 0.00 1.72 1.57 -0.78 -2.66 116.57 117.42 1cio h LYS 56 Ca 0.25 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1cio h LYS 56 Cb -0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1cio h LYS 56 CO -0.05 0.18 -0.42 0.00 -0.57 0.00 0.00 179.45 178.59 1cio n ALA 57 N -2.51 2.80 -2.38 3.86 0.00 -0.87 -4.83 120.51 116.58 1cio n ALA 57 Ca -0.02 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 1cio n ALA 57 Cb 0.19 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 1cio n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cio s SER 58 N -4.06 6.77 0.30 0.00 0.15 -0.93 -4.87 113.70 111.06 1cio s SER 58 Ca 0.08 1.50 0.02 0.00 0.70 0.00 0.00 55.95 58.25 1cio s SER 58 Cb 0.14 -2.54 0.46 0.00 -1.71 0.00 0.00 66.02 62.37 1cio s SER 58 CO 0.67 -0.94 1.80 -0.08 1.20 0.00 0.00 173.24 175.89 1cio h GLU 59 N 8.92 0.61 -0.49 5.44 4.57 -1.88 -2.43 114.58 129.32 1cio h GLU 59 Ca -0.27 -0.16 -0.13 0.00 -1.18 0.00 0.00 59.36 57.62 1cio h GLU 59 Cb 1.11 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1cio h GLU 59 CO 1.00 0.68 -0.18 0.22 -1.18 0.00 0.00 179.01 179.54 1cio h ASP 60 N 0.57 1.01 -0.59 1.04 3.58 -1.96 -0.17 116.42 119.90 1cio h ASP 60 Ca 0.11 -0.38 -0.10 0.00 0.42 0.00 0.00 57.03 57.08 1cio h ASP 60 Cb 0.45 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1cio h ASP 60 CO 0.02 1.17 -0.03 0.25 -2.88 0.00 0.00 179.24 177.76 1cio h LEU 61 N 0.85 1.05 -0.60 2.28 6.46 -1.88 -1.20 115.31 122.27 1cio h LEU 61 Ca 0.12 -0.32 -0.06 0.00 -0.12 0.00 0.00 57.88 57.50 1cio h LEU 61 Cb 0.76 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1cio h LEU 61 CO 0.06 1.12 0.14 0.50 -0.62 0.00 0.00 178.44 179.64 1cio h LYS 62 N 0.96 0.97 -0.80 1.25 3.64 -1.12 -0.98 116.57 120.48 1cio h LYS 62 Ca 0.16 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1cio h LYS 62 Cb 0.60 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1cio h LYS 62 CO 0.04 0.89 0.43 0.87 -2.27 0.00 0.00 179.45 179.41 1cio h LYS 63 N 0.88 1.12 -0.30 1.90 1.57 -0.80 -2.46 116.57 118.49 1cio h LYS 63 Ca 0.19 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1cio h LYS 63 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1cio h LYS 63 CO 0.00 0.84 -0.29 1.25 -0.57 0.00 0.00 179.45 180.67 1cio h HIS 64 N 1.12 0.70 -0.83 -1.35 2.76 -0.85 -2.21 115.15 114.50 1cio h HIS 64 Ca 0.28 -0.17 0.13 0.00 -2.20 0.00 0.00 60.37 58.41 1cio h HIS 64 Cb 0.04 -0.16 -0.09 0.00 1.55 0.00 0.00 27.41 28.75 1cio h HIS 64 CO 0.00 0.84 0.43 0.78 -1.30 0.00 0.00 177.93 178.69 1cio h GLY 65 N 1.01 1.32 1.02 5.26 0.00 -0.88 -0.50 103.07 110.30 1cio h GLY 65 Ca 0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 1cio h GLY 65 CO 0.06 0.01 -0.03 -2.08 0.00 0.00 0.00 176.54 174.50 1cio h VAL 66 N 0.66 1.27 -0.32 4.60 2.07 -0.99 -1.73 116.25 121.80 1cio h VAL 66 Ca 0.44 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1cio h VAL 66 Cb 0.56 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1cio h VAL 66 CO -0.33 0.39 0.20 0.74 0.02 0.00 0.00 177.57 178.59 1cio h THR 67 N 0.73 1.10 0.09 2.57 2.02 -0.75 -0.72 112.91 117.96 1cio h THR 67 Ca 0.13 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1cio h THR 67 Cb 0.56 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1cio h THR 67 CO 0.03 0.10 -0.05 0.58 0.37 0.00 0.00 175.52 176.56 1cio h VAL 68 N 0.42 0.94 -0.03 3.16 2.07 -1.00 -1.80 116.25 120.00 1cio h VAL 68 Ca 0.12 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 1cio h VAL 68 Cb -0.01 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1cio h VAL 68 CO -0.02 0.03 -0.47 -0.07 0.02 0.00 0.00 177.57 177.05 1cio h LEU 69 N -0.18 0.08 -0.43 2.57 3.38 -1.21 -1.70 115.31 117.83 1cio h LEU 69 Ca -0.01 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1cio h LEU 69 Cb 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1cio h LEU 69 CO 0.02 0.54 -0.06 0.74 0.09 0.00 0.00 178.44 179.77 1cio h THR 70 N 0.06 1.27 -0.49 0.22 2.02 -1.06 0.13 112.91 115.06 1cio h THR 70 Ca 0.00 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 1cio h THR 70 Cb 0.86 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1cio h THR 70 CO 0.06 0.39 0.11 0.00 0.37 0.00 0.00 175.52 176.46 1cio h ALA 71 N 0.88 0.65 -0.52 6.16 0.00 -1.10 -2.05 119.26 123.28 1cio h ALA 71 Ca 0.11 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1cio h ALA 71 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1cio h ALA 71 CO 0.03 0.35 0.02 1.25 0.00 0.00 0.00 179.25 180.90 1cio h LEU 72 N 0.68 0.88 -0.92 0.00 5.85 -1.21 -2.39 115.31 118.19 1cio h LEU 72 Ca 0.15 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.66 1cio h LEU 72 Cb 0.34 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 1cio h LEU 72 CO 0.00 0.96 0.57 1.23 -0.34 0.00 0.00 178.44 180.87 1cio h GLY 73 N 0.77 1.43 1.05 3.75 0.00 -0.67 0.06 103.07 109.46 1cio h GLY 73 Ca 0.15 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1cio h GLY 73 CO 0.02 0.23 0.17 0.00 0.00 0.00 0.00 176.54 176.96 1cio h ALA 74 N 1.46 0.89 -0.06 3.60 0.00 -1.06 -1.31 119.26 122.78 1cio h ALA 74 Ca 0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1cio h ALA 74 Cb 0.28 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cio h ALA 74 CO -0.21 0.61 0.00 0.82 0.00 0.00 0.00 179.25 180.47 1cio h ILE 75 N 1.01 1.24 -0.84 0.00 2.04 -1.01 -3.13 117.51 116.81 1cio h ILE 75 Ca 0.21 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1cio h ILE 75 Cb 0.36 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1cio h ILE 75 CO 0.00 0.20 0.56 -0.07 0.00 0.00 0.00 178.15 178.85 1cio h LEU 76 N -0.18 0.97 -1.22 1.44 3.38 -0.75 -1.68 115.31 117.28 1cio h LEU 76 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cio h LEU 76 Cb 0.32 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1cio h LEU 76 CO 0.00 0.70 0.00 0.11 0.09 0.00 0.00 178.44 179.34 1cio h LYS 77 N 1.14 0.00 0.00 1.13 1.57 -1.21 -1.37 116.57 117.84 1cio h LYS 77 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1cio h LYS 77 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1cio h LYS 77 CO -0.07 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.44 1cio n LYS 78 N -2.43 0.01 -3.97 3.15 4.76 -0.63 -4.93 118.16 114.11 1cio n LYS 78 Ca 0.00 0.11 -0.28 0.00 -2.87 0.00 0.00 58.31 55.27 1cio n LYS 78 Cb 0.17 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.85 1cio n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1cio n LYS 79 N -1.49 -3.71 0.00 1.97 5.02 -0.52 -1.64 118.16 117.79 1cio n LYS 79 Ca 0.06 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1cio n LYS 79 Cb 0.27 -4.82 0.00 0.00 -0.02 0.00 0.00 35.03 30.45 1cio n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cio n GLY 80 N -1.79 2.36 2.62 0.72 0.00 -1.26 -4.97 105.19 102.86 1cio n GLY 80 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1cio n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cio n HIS 81 N -1.90 2.66 -0.61 1.61 8.25 -0.65 -4.69 115.22 119.89 1cio n HIS 81 Ca 0.00 -2.76 0.06 0.00 -0.26 0.00 0.00 57.72 54.76 1cio n HIS 81 Cb 0.00 -1.73 0.09 0.00 1.12 0.00 0.00 29.99 29.48 1cio n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1cio n HIS 82 N 1.91 0.07 -0.28 4.41 1.44 -1.26 -4.76 115.22 116.74 1cio n HIS 82 Ca 0.53 -0.78 0.01 0.00 -2.01 0.00 0.00 57.72 55.47 1cio n HIS 82 Cb 0.28 -0.11 0.14 0.00 0.12 0.00 0.00 29.99 30.41 1cio n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1cio h GLU 83 N 0.18 0.83 -0.34 -1.40 3.07 -1.99 -1.21 114.58 113.71 1cio h GLU 83 Ca 0.00 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.67 1cio h GLU 83 Cb 0.82 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1cio h GLU 83 CO 0.01 0.55 -0.36 0.00 -1.40 0.00 0.00 179.01 177.81 1cio h ALA 84 N 1.40 0.73 -0.48 3.43 0.00 -2.01 -2.81 119.26 119.51 1cio h ALA 84 Ca 0.36 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1cio h ALA 84 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1cio h ALA 84 CO -0.19 0.66 0.11 0.93 0.00 0.00 0.00 179.25 180.76 1cio h GLU 85 N 0.65 0.73 0.00 0.00 3.07 -1.77 -3.19 114.58 114.08 1cio h GLU 85 Ca 0.06 -0.14 -0.15 0.00 -0.50 0.00 0.00 59.36 58.63 1cio h GLU 85 Cb 0.91 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 1cio h GLU 85 CO 0.08 0.67 -0.72 1.25 -1.40 0.00 0.00 179.01 178.89 1cio h LEU 86 N 0.71 0.00 0.19 1.33 5.85 -1.07 -3.36 115.31 118.96 1cio h LEU 86 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1cio h LEU 86 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1cio h LEU 86 CO -0.00 0.72 -0.17 0.11 -0.34 0.00 0.00 178.44 178.76 1cio h LYS 87 N 0.00 -0.37 -0.12 1.25 1.57 -1.48 -0.42 116.57 117.00 1cio h LYS 87 Ca -0.01 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1cio h LYS 87 Cb 1.47 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 1cio h LYS 87 CO 0.09 -0.25 -0.36 -1.00 -0.57 0.00 0.00 179.45 177.37 1cio h PRO 88 N -0.39 0.24 -0.33 3.15 0.13 -1.76 -1.25 132.00 131.79 1cio h PRO 88 Ca -0.00 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 1cio h PRO 88 Cb 0.36 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1cio h PRO 88 CO -0.03 0.57 0.06 1.25 -0.23 0.00 0.00 178.00 179.62 1cio h LEU 89 N 0.21 0.52 -0.46 1.56 7.12 -1.65 -1.14 115.31 121.46 1cio h LEU 89 Ca 0.02 -0.25 -0.00 0.00 0.13 0.00 0.00 57.88 57.78 1cio h LEU 89 Cb 0.74 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.71 1cio h LEU 89 CO 0.06 0.64 0.28 0.00 -0.13 0.00 0.00 178.44 179.29 1cio h ALA 90 N 0.90 0.59 -0.42 1.25 0.00 -0.93 -1.25 119.26 119.41 1cio h ALA 90 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1cio h ALA 90 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1cio h ALA 90 CO 0.01 0.08 0.22 0.37 0.00 0.00 0.00 179.25 179.92 1cio h GLN 91 N 0.61 0.59 -0.50 0.00 4.15 -1.03 -0.32 115.11 118.61 1cio h GLN 91 Ca 0.17 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.41 1cio h GLN 91 Cb -0.01 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1cio h GLN 91 CO -0.03 0.49 -0.10 0.66 -1.93 0.00 0.00 178.83 177.92 1cio h SER 92 N 0.54 0.91 1.55 -0.69 4.64 -1.09 -1.03 113.55 118.37 1cio h SER 92 Ca 0.15 -0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 1cio h SER 92 Cb 0.08 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1cio h SER 92 CO -0.02 1.03 -0.23 0.45 -0.87 0.00 0.00 176.83 177.19 1cio h HIS 93 N 0.82 0.00 0.02 4.77 3.86 -1.03 -0.03 115.15 123.57 1cio h HIS 93 Ca 0.13 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.21 1cio h HIS 93 Cb 0.63 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1cio h HIS 93 CO 0.04 0.23 -0.73 0.00 0.86 0.00 0.00 177.93 178.32 1cio h ALA 94 N 1.77 0.13 0.09 2.45 0.00 -0.93 0.62 119.26 123.39 1cio h ALA 94 Ca -0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 54.91 53.68 1cio h ALA 94 Cb 1.06 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1cio h ALA 94 CO 0.03 0.41 -1.98 2.41 0.00 0.00 0.00 179.25 180.12 1cio n THR 95 N -4.43 1.73 -0.09 0.00 -1.04 -0.40 -3.66 114.28 106.40 1cio n THR 95 Ca -0.21 -0.68 -0.12 0.00 -2.04 0.00 0.00 64.05 61.00 1cio n THR 95 Cb 0.63 -1.57 -0.05 0.00 -1.82 0.00 0.00 70.33 67.52 1cio n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1cio n LYS 96 N -3.38 0.50 0.10 -2.82 4.81 -0.41 -4.61 118.16 112.36 1cio n LYS 96 Ca -0.30 0.46 0.12 0.00 -0.87 0.00 0.00 58.31 57.72 1cio n LYS 96 Cb 1.05 -1.64 0.12 0.00 0.02 0.00 0.00 35.03 34.57 1cio n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1cio h HIS 97 N -1.00 0.00 -6.06 5.64 3.86 -1.22 -3.49 115.15 112.88 1cio h HIS 97 Ca -0.14 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.73 1cio h HIS 97 Cb 0.87 0.00 0.07 0.00 1.06 0.00 0.00 27.41 29.41 1cio h HIS 97 CO -0.17 0.00 -0.77 1.63 0.86 0.00 0.00 177.93 179.47 1cio n LYS 98 N -2.46 -1.38 -3.48 2.45 4.01 -0.76 -4.97 118.16 111.57 1cio n LYS 98 Ca 0.02 0.75 -0.43 0.00 -0.51 0.00 0.00 58.31 58.14 1cio n LYS 98 Cb 0.49 -4.33 -0.10 0.00 -0.51 0.00 0.00 35.03 30.59 1cio n LYS 98 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1cio s VAL 99 N -3.29 5.02 0.74 -0.18 1.01 0.14 -5.03 120.40 118.82 1cio s VAL 99 Ca 0.31 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1cio s VAL 99 Cb -0.10 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.45 1cio s VAL 99 CO 0.83 -0.38 1.12 -2.16 0.00 0.00 0.00 175.10 174.51 1cio s PRO 100 N 1.62 2.29 0.29 2.72 0.04 -1.26 -4.82 135.00 135.88 1cio s PRO 100 Ca 0.04 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.47 1cio s PRO 100 Cb -0.21 -1.89 0.60 0.00 0.04 0.00 0.00 34.50 33.05 1cio s PRO 100 CO 0.08 -1.65 1.82 0.82 0.04 0.00 0.00 177.00 178.11 1cio h ILE 101 N -0.71 0.85 -0.85 0.56 1.08 -1.79 -0.64 117.51 116.01 1cio h ILE 101 Ca -0.45 -0.31 0.17 0.00 -0.39 0.00 0.00 64.86 63.87 1cio h ILE 101 Cb 1.25 -0.15 -0.06 0.00 -3.07 0.00 0.00 36.82 34.79 1cio h ILE 101 CO 0.51 0.17 0.56 0.50 -0.69 0.00 0.00 178.15 179.20 1cio h LYS 102 N 0.92 0.48 0.00 2.37 1.63 -1.91 0.72 116.57 120.78 1cio h LYS 102 Ca 0.52 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 60.19 1cio h LYS 102 Cb 0.61 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1cio h LYS 102 CO -0.30 0.32 -0.50 1.88 -3.45 0.00 0.00 179.45 177.40 1cio h TYR 103 N 0.50 0.00 -0.05 1.91 -1.99 -1.46 -1.62 116.97 114.26 1cio h TYR 103 Ca 0.43 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 61.03 1cio h TYR 103 Cb 0.93 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.64 1cio h TYR 103 CO -0.00 0.50 -0.57 -0.07 -0.00 0.00 0.00 178.16 178.02 1cio h LEU 104 N 0.00 0.16 -0.57 3.88 3.38 -0.84 -1.42 115.31 119.91 1cio h LEU 104 Ca -0.00 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1cio h LEU 104 Cb 1.16 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1cio h LEU 104 CO 0.06 0.69 0.16 -0.33 0.09 0.00 0.00 178.44 179.12 1cio h GLU 105 N 0.11 0.90 -0.53 1.13 5.08 -0.80 -1.90 114.58 118.57 1cio h GLU 105 Ca -0.00 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1cio h GLU 105 Cb 1.03 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1cio h GLU 105 CO 0.08 0.82 0.35 0.74 -1.00 0.00 0.00 179.01 180.00 1cio h PHE 106 N 0.81 0.66 0.00 4.33 0.04 -0.92 -1.54 116.94 120.31 1cio h PHE 106 Ca 0.18 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.87 1cio h PHE 106 Cb 0.31 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1cio h PHE 106 CO 0.02 0.41 -0.46 0.97 -0.60 0.00 0.00 178.31 178.65 1cio h ILE 107 N 0.71 1.07 -0.32 -0.55 2.10 -1.17 -2.19 117.51 117.15 1cio h ILE 107 Ca 0.20 -1.76 0.01 0.00 1.08 0.00 0.00 64.86 64.39 1cio h ILE 107 Cb -0.07 2.02 -0.02 0.00 -1.09 0.00 0.00 36.82 37.66 1cio h ILE 107 CO -0.05 0.46 0.20 0.28 -1.08 0.00 0.00 178.15 177.95 1cio h SER 108 N 0.00 0.32 -0.71 2.19 0.02 -0.83 -1.16 113.55 113.39 1cio h SER 108 Ca -0.00 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1cio h SER 108 Cb 0.98 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 1cio h SER 108 CO 0.06 0.24 0.43 -0.08 -1.14 0.00 0.00 176.83 176.33 1cio h GLU 109 N 0.40 0.79 -0.82 3.45 4.81 -0.99 -1.66 114.58 120.56 1cio h GLU 109 Ca 0.12 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1cio h GLU 109 Cb -0.02 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1cio h GLU 109 CO -0.05 0.52 0.38 0.00 -0.73 0.00 0.00 179.01 179.14 1cio h ALA 110 N 1.33 1.05 -0.14 2.92 0.00 -1.02 -1.02 119.26 122.39 1cio h ALA 110 Ca 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1cio h ALA 110 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1cio h ALA 110 CO -0.14 0.63 0.06 0.82 0.00 0.00 0.00 179.25 180.62 1cio h ILE 111 N 1.16 1.14 -0.85 0.00 2.04 -0.86 -1.96 117.51 118.18 1cio h ILE 111 Ca 0.28 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1cio h ILE 111 Cb 0.13 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1cio h ILE 111 CO -0.03 0.13 0.55 0.40 0.00 0.00 0.00 178.15 179.19 1cio h ILE 112 N 0.07 1.22 -0.17 -0.67 2.04 -1.13 -1.18 117.51 117.70 1cio h ILE 112 Ca 0.05 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1cio h ILE 112 Cb 0.15 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1cio h ILE 112 CO -0.00 0.22 0.10 -0.74 0.00 0.00 0.00 178.15 177.72 1cio h HIS 113 N 1.15 0.24 -0.45 1.37 2.76 -1.02 -0.49 115.15 118.71 1cio h HIS 113 Ca 0.31 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.40 1cio h HIS 113 Cb -0.11 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 1cio h HIS 113 CO -0.01 0.23 -0.02 0.28 -1.30 0.00 0.00 177.93 177.12 1cio h VAL 114 N 0.18 1.26 -0.70 5.26 2.07 -1.13 -1.39 116.25 121.80 1cio h VAL 114 Ca 0.06 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1cio h VAL 114 Cb 0.07 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1cio h VAL 114 CO -0.01 0.37 0.21 -0.07 0.02 0.00 0.00 177.57 178.10 1cio h LEU 115 N 0.66 1.03 -1.03 2.57 3.38 -1.07 -0.35 115.31 120.50 1cio h LEU 115 Ca 0.13 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1cio h LEU 115 Cb 0.52 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1cio h LEU 115 CO 0.03 0.97 0.21 -0.74 0.09 0.00 0.00 178.44 179.00 1cio h HIS 116 N 1.04 0.92 -0.27 1.13 2.76 -0.94 -0.17 115.15 119.62 1cio h HIS 116 Ca 0.23 -0.07 -0.11 0.00 -2.20 0.00 0.00 60.37 58.22 1cio h HIS 116 Cb 0.31 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 1cio h HIS 116 CO 0.02 0.73 -0.26 0.77 -1.30 0.00 0.00 177.93 177.89 1cio h SER 117 N 0.89 0.69 0.87 3.26 0.02 -0.73 -3.27 113.55 115.28 1cio h SER 117 Ca 0.20 -0.47 -0.14 0.00 -0.84 0.00 0.00 61.79 60.54 1cio h SER 117 Cb 0.22 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1cio h SER 117 CO -0.01 1.02 -1.21 0.03 -1.14 0.00 0.00 176.83 175.52 1cio h ARG 118 N 0.37 0.00 -1.26 3.45 3.08 -1.00 -3.41 114.38 115.62 1cio h ARG 118 Ca 0.04 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.61 1cio h ARG 118 Cb 0.82 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.46 1cio h ARG 118 CO 0.07 0.30 -0.96 0.72 -1.07 0.00 0.00 179.97 179.03 1cio n HIS 119 N -2.93 2.32 -0.11 3.04 8.25 -0.08 -4.95 115.22 120.76 1cio n HIS 119 Ca -0.07 -2.95 0.08 0.00 -0.26 0.00 0.00 57.72 54.52 1cio n HIS 119 Cb 0.79 -0.23 0.42 0.00 1.12 0.00 0.00 29.99 32.10 1cio n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1cio h PRO 120 N 2.78 0.57 0.00 -0.41 0.13 -1.73 -0.85 132.00 132.49 1cio h PRO 120 Ca 0.11 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1cio h PRO 120 Cb 1.05 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1cio h PRO 120 CO 0.68 0.38 -0.01 0.78 -0.23 0.00 0.00 178.00 179.60 1cio h GLY 121 N 0.59 0.00 -0.93 1.56 0.00 -1.92 -3.00 103.07 99.37 1cio h GLY 121 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1cio h GLY 121 CO -0.08 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.16 1cio n ASN 122 N -3.10 2.88 -2.71 0.19 3.02 -0.52 -4.66 115.26 110.37 1cio n ASN 122 Ca 0.01 -2.36 -0.10 0.00 -0.03 0.00 0.00 54.58 52.11 1cio n ASN 122 Cb 0.36 -0.28 0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1cio n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1cio n PHE 123 N -0.16 1.02 -0.84 3.10 7.35 -0.44 -4.67 117.46 122.82 1cio n PHE 123 Ca 0.12 -2.89 -0.05 0.00 -0.76 0.00 0.00 57.45 53.87 1cio n PHE 123 Cb 0.52 -0.37 0.04 0.00 0.35 0.00 0.00 39.48 40.02 1cio n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1cio n GLY 124 N -0.03 -1.95 0.27 7.13 0.00 -1.24 -4.62 105.19 104.75 1cio n GLY 124 Ca 0.11 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1cio n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cio h ALA 125 N -2.06 0.87 -0.47 4.61 0.00 -1.98 -0.33 119.26 119.90 1cio h ALA 125 Ca -0.08 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1cio h ALA 125 Cb 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1cio h ALA 125 CO 0.05 0.33 -0.02 -0.44 0.00 0.00 0.00 179.25 179.17 1cio h ASP 126 N 0.93 0.83 -0.48 0.00 3.32 -1.99 -0.47 116.42 118.56 1cio h ASP 126 Ca 0.25 -0.32 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1cio h ASP 126 Cb -0.04 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1cio h ASP 126 CO -0.05 0.95 0.05 0.00 -1.72 0.00 0.00 179.24 178.47 1cio h ALA 127 N 0.91 1.09 -0.54 3.45 0.00 -1.79 -1.44 119.26 120.93 1cio h ALA 127 Ca 0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1cio h ALA 127 Cb 0.54 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1cio h ALA 127 CO 0.03 0.59 0.10 0.37 0.00 0.00 0.00 179.25 180.34 1cio h GLN 128 N 0.82 0.89 -0.85 0.00 4.15 -0.93 -0.95 115.11 118.24 1cio h GLN 128 Ca 0.17 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1cio h GLN 128 Cb 0.41 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1cio h GLN 128 CO 0.01 0.85 0.50 0.78 -1.93 0.00 0.00 178.83 179.05 1cio h GLY 129 N 0.78 1.24 1.07 2.39 0.00 -0.79 -0.05 103.07 107.71 1cio h GLY 129 Ca 0.17 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1cio h GLY 129 CO 0.01 0.51 -0.03 0.00 0.00 0.00 0.00 176.54 177.03 1cio h ALA 130 N 1.27 0.76 -0.47 3.60 0.00 -0.96 -1.52 119.26 121.94 1cio h ALA 130 Ca 0.30 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1cio h ALA 130 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1cio h ALA 130 CO -0.05 0.62 -0.05 1.98 0.00 0.00 0.00 179.25 181.74 1cio h MET 131 N 0.90 0.87 -0.69 0.00 -1.53 -0.93 -1.54 114.93 112.02 1cio h MET 131 Ca 0.15 -0.31 0.02 0.00 -3.44 0.00 0.00 59.70 56.13 1cio h MET 131 Cb 0.59 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 31.53 1cio h MET 131 CO 0.04 0.94 0.44 -0.97 0.14 0.00 0.00 176.91 177.49 1cio h ASN 132 N 0.72 0.73 -0.65 1.39 -1.24 -0.87 -0.99 115.58 114.67 1cio h ASN 132 Ca 0.13 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 1cio h ASN 132 Cb 0.58 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.44 1cio h ASN 132 CO 0.03 0.51 0.37 0.50 -1.29 0.00 0.00 177.43 177.55 1cio h LYS 133 N 0.87 0.90 -0.74 6.67 3.64 -1.03 0.50 116.57 127.38 1cio h LYS 133 Ca 0.27 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1cio h LYS 133 Cb -0.02 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1cio h LYS 133 CO -0.09 0.67 0.35 0.00 -2.27 0.00 0.00 179.45 178.11 1cio h ALA 134 N 1.18 0.95 -0.01 5.00 0.00 -0.93 -0.60 119.26 124.85 1cio h ALA 134 Ca 0.23 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1cio h ALA 134 Cb 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1cio h ALA 134 CO -0.04 0.52 -0.72 -0.07 0.00 0.00 0.00 179.25 178.94 1cio h LEU 135 N 1.04 0.05 -0.60 0.00 3.38 -0.88 -1.86 115.31 116.44 1cio h LEU 135 Ca 0.25 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 1cio h LEU 135 Cb 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1cio h LEU 135 CO -0.03 0.75 -0.06 -0.08 0.09 0.00 0.00 178.44 179.11 1cio h GLU 136 N 0.03 1.04 -0.28 1.13 4.81 -0.54 -0.89 114.58 119.88 1cio h GLU 136 Ca -0.01 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1cio h GLU 136 Cb 1.28 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1cio h GLU 136 CO 0.10 1.05 0.14 1.25 -0.73 0.00 0.00 179.01 180.82 1cio h LEU 137 N 0.94 0.35 -0.22 1.64 5.85 -0.97 0.66 115.31 123.56 1cio h LEU 137 Ca 0.15 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1cio h LEU 137 Cb 0.63 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1cio h LEU 137 CO 0.04 0.36 -0.12 0.15 -0.34 0.00 0.00 178.44 178.54 1cio h PHE 138 N 0.32 -0.28 -0.67 1.25 3.57 -1.20 -0.80 116.94 119.13 1cio h PHE 138 Ca 0.10 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 1cio h PHE 138 Cb 0.09 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1cio h PHE 138 CO -0.03 -0.18 0.13 0.00 -2.23 0.00 0.00 178.31 176.01 1cio h ARG 139 N -0.09 1.08 -0.51 1.11 3.08 -0.91 -1.32 114.38 116.82 1cio h ARG 139 Ca 0.12 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1cio h ARG 139 Cb 0.28 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1cio h ARG 139 CO -0.28 0.97 0.11 -0.22 -1.07 0.00 0.00 179.97 179.48 1cio h LYS 140 N 1.02 0.83 -0.09 0.04 3.64 -0.49 0.56 116.57 122.08 1cio h LYS 140 Ca 0.21 -0.21 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1cio h LYS 140 Cb 0.40 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1cio h LYS 140 CO 0.01 0.80 -0.69 -0.44 -2.27 0.00 0.00 179.45 176.86 1cio h ASP 141 N 0.71 0.48 -0.37 4.20 3.32 -1.02 -2.01 116.42 121.73 1cio h ASP 141 Ca 0.16 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 56.78 1cio h ASP 141 Cb 0.36 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1cio h ASP 141 CO 0.01 1.03 -0.23 0.40 -1.72 0.00 0.00 179.24 178.73 1cio h ILE 142 N 0.29 1.27 -0.78 0.35 1.08 -1.07 -2.23 117.51 116.42 1cio h ILE 142 Ca -0.02 -1.36 -0.04 0.00 -0.39 0.00 0.00 64.86 63.05 1cio h ILE 142 Cb 1.26 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 36.16 1cio h ILE 142 CO 0.12 0.46 0.35 0.00 -0.69 0.00 0.00 178.15 178.39 1cio h ALA 143 N 0.99 1.00 -0.43 1.87 0.00 -0.69 -0.00 119.26 122.00 1cio h ALA 143 Ca 0.10 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1cio h ALA 143 Cb 0.77 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1cio h ALA 143 CO 0.06 0.59 -0.06 0.00 0.00 0.00 0.00 179.25 179.84 1cio h ALA 144 N 1.18 1.09 -0.18 0.00 0.00 -1.24 -2.19 119.26 117.91 1cio h ALA 144 Ca 0.26 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1cio h ALA 144 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1cio h ALA 144 CO -0.03 0.57 -0.53 0.87 0.00 0.00 0.00 179.25 180.13 1cio h LYS 145 N 0.68 0.53 -0.68 0.00 1.79 -0.92 -2.44 116.57 115.53 1cio h LYS 145 Ca 0.12 -0.32 0.09 0.00 -2.18 0.00 0.00 60.65 58.36 1cio h LYS 145 Cb 0.51 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.12 1cio h LYS 145 CO 0.03 0.93 0.31 1.88 -1.08 0.00 0.00 179.45 181.52 1cio h TYR 146 N 0.41 0.55 -0.43 -1.35 -1.99 -0.54 -1.21 116.97 112.41 1cio h TYR 146 Ca 0.01 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 1cio h TYR 146 Cb 1.06 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.63 1cio h TYR 146 CO 0.04 0.18 0.07 0.87 -0.00 0.00 0.00 178.16 179.33 1cio h LYS 147 N 0.53 0.72 -0.51 4.88 6.56 -1.21 -1.11 116.57 126.43 1cio h LYS 147 Ca 0.34 -0.19 -0.01 0.00 -1.06 0.00 0.00 60.65 59.72 1cio h LYS 147 Cb 0.38 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.93 1cio h LYS 147 CO -0.28 0.75 0.27 0.93 -2.06 0.00 0.00 179.45 179.05 1cio h GLU 148 N 0.58 0.70 0.00 3.15 5.08 -0.93 -2.48 114.58 120.67 1cio h GLU 148 Ca 0.13 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1cio h GLU 148 Cb 0.37 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1cio h GLU 148 CO 0.01 0.52 -0.15 1.28 -1.00 0.00 0.00 179.01 179.68 1cio n LEU 149 N -4.40 0.17 0.00 1.33 4.77 -0.51 -4.94 117.00 113.42 1cio n LEU 149 Ca 0.04 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1cio n LEU 149 Cb 0.10 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1cio n LEU 149 CO 0.37 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1cio n GLY 150 N 1.49 0.96 0.15 -0.72 0.00 -0.63 -5.00 105.19 101.44 1cio n GLY 150 Ca 0.07 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1cio n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1cio n TYR 151 N -2.08 0.00 -0.44 1.61 9.36 -0.52 -4.98 117.16 120.12 1cio n TYR 151 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1cio n TYR 151 Cb 0.00 -0.63 0.00 0.00 -0.63 0.00 0.00 39.34 38.08 1cio n TYR 151 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1cio n GLN 152 N -4.34 0.00 0.00 2.98 6.02 -1.11 -4.93 117.38 116.00 1cio n GLN 152 Ca -0.26 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 56.88 1cio n GLN 152 Cb 0.61 -4.28 0.61 0.00 1.02 0.00 0.00 30.24 28.20 1cio n GLN 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46