#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ibo s ALA 3 N 0.00 0.08 -0.01 7.82 0.00 -0.35 -4.02 121.76 125.28 2ibo s ALA 3 Ca 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2ibo s ALA 3 Cb 0.00 1.14 0.00 0.00 0.00 0.00 0.00 23.12 24.26 2ibo s ALA 3 CO 0.00 -0.80 0.03 0.45 0.00 0.00 0.00 175.76 175.44 2ibo s SER 4 N -3.05 -0.00 0.08 0.00 0.15 0.37 -1.68 113.70 109.56 2ibo s SER 4 Ca 0.26 -0.00 0.06 0.00 0.70 0.00 0.00 55.95 56.97 2ibo s SER 4 Cb 0.01 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.36 2ibo s SER 4 CO 0.10 -0.05 -0.17 -0.63 1.20 0.00 0.00 173.24 173.69 2ibo s ILE 5 N -0.17 1.37 -0.12 6.45 -1.09 -0.51 0.67 121.20 127.81 2ibo s ILE 5 Ca -0.02 -1.36 -0.01 0.00 -2.23 0.00 0.00 60.65 57.03 2ibo s ILE 5 Cb -0.01 -1.27 0.03 0.00 -1.58 0.00 0.00 42.46 39.62 2ibo s ILE 5 CO -0.00 -0.11 -0.04 0.00 -1.23 0.00 0.00 174.94 173.55 2ibo s ALA 6 N -1.16 1.17 -0.07 9.38 0.00 0.60 -0.48 121.76 131.20 2ibo s ALA 6 Ca 0.02 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2ibo s ALA 6 Cb -0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 2ibo s ALA 6 CO 0.03 -0.54 -0.12 -1.17 0.00 0.00 0.00 175.76 173.96 2ibo s LEU 7 N 1.77 2.86 -0.14 0.00 2.96 0.99 -0.81 118.68 126.31 2ibo s LEU 7 Ca 0.04 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.74 2ibo s LEU 7 Cb -0.13 -1.60 0.06 0.00 0.50 0.00 0.00 46.19 45.01 2ibo s LEU 7 CO -0.07 0.32 0.12 -1.58 -1.32 0.00 0.00 176.35 173.81 2ibo s GLN 8 N -0.55 0.05 -0.25 1.98 0.74 -0.32 0.20 119.66 121.50 2ibo s GLN 8 Ca 0.08 0.15 -0.10 0.00 0.05 0.00 0.00 55.36 55.54 2ibo s GLN 8 Cb -0.12 -1.23 -0.05 0.00 1.10 0.00 0.00 33.01 32.72 2ibo s GLN 8 CO 0.02 -0.55 0.16 0.08 -0.55 0.00 0.00 175.29 174.45 2ibo s VAL 9 N 2.20 5.21 -0.46 1.34 1.01 -1.26 -0.53 120.40 127.91 2ibo s VAL 9 Ca 0.04 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 2ibo s VAL 9 Cb -0.15 -3.44 0.12 0.00 0.00 0.00 0.00 36.38 32.91 2ibo s VAL 9 CO -0.08 0.32 0.25 -0.76 0.00 0.00 0.00 175.10 174.83 2ibo s LEU 10 N 1.31 5.14 0.00 3.92 1.43 0.26 -4.93 118.68 125.82 2ibo s LEU 10 Ca 0.07 -2.31 0.18 0.00 -1.03 0.00 0.00 54.13 51.04 2ibo s LEU 10 Cb -0.14 -1.80 0.85 0.00 0.03 0.00 0.00 46.19 45.12 2ibo s LEU 10 CO 0.06 -0.47 1.56 -2.65 0.23 0.00 0.00 176.35 175.09 2ibo n PRO 11 N 4.20 0.15 -4.11 1.29 -0.02 -1.26 -1.71 135.00 133.54 2ibo n PRO 11 Ca 0.01 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.24 2ibo n PRO 11 Cb 0.40 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.37 2ibo n PRO 11 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ibo n LEU 12 N -1.38 -0.31 -4.22 2.45 -0.00 -1.26 -4.64 117.00 107.64 2ibo n LEU 12 Ca 0.07 -1.22 -0.15 0.00 -0.00 0.00 0.00 56.01 54.70 2ibo n LEU 12 Cb 0.17 -1.47 -0.11 0.00 -0.00 0.00 0.00 43.42 42.01 2ibo n LEU 12 CO 0.15 0.69 -0.43 0.54 -0.00 0.00 0.00 177.39 178.34 2ibo s VAL 13 N -3.82 1.14 -0.70 1.47 0.11 -1.26 -5.00 120.40 112.34 2ibo s VAL 13 Ca 0.34 -1.80 -0.30 0.00 -2.93 0.00 0.00 61.98 57.29 2ibo s VAL 13 Cb -0.19 -1.57 -0.15 0.00 -1.53 0.00 0.00 36.38 32.95 2ibo s VAL 13 CO 0.92 -0.57 2.51 0.00 -3.33 0.00 0.00 175.10 174.62 2ibo n GLN 14 N 0.31 0.54 0.00 1.54 6.02 -1.26 -4.38 117.38 120.16 2ibo n GLN 14 Ca -0.14 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2ibo n GLN 14 Cb 0.58 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 29.47 2ibo n GLN 14 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ibo n GLY 15 N 6.35 0.76 0.00 1.08 0.00 -1.26 -3.62 105.19 108.50 2ibo n GLY 15 Ca 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2ibo n GLY 15 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2ibo n ILE 16 N 0.00 0.00 -0.36 -0.61 3.06 -1.26 0.12 119.36 120.31 2ibo n ILE 16 Ca 0.00 0.00 0.35 0.00 -2.50 0.00 0.00 62.75 60.60 2ibo n ILE 16 Cb 0.00 0.00 0.71 0.00 0.54 0.00 0.00 39.64 40.89 2ibo n ILE 16 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 2ibo h ASP 17 N 0.00 0.10 -0.50 9.51 3.45 -1.90 0.82 116.42 127.90 2ibo h ASP 17 Ca 0.00 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 2ibo h ASP 17 Cb 0.00 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 38.75 2ibo h ASP 17 CO 0.00 0.00 0.25 0.08 -1.57 0.00 0.00 179.24 178.00 2ibo h ARG 18 N 0.08 0.76 -0.00 3.56 -0.00 0.77 -0.59 114.38 118.96 2ibo h ARG 18 Ca 0.62 -0.10 0.00 0.00 -0.00 0.00 0.00 59.98 60.50 2ibo h ARG 18 Cb 2.27 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 32.10 2ibo h ARG 18 CO -0.09 0.60 -0.15 0.44 -0.00 0.00 0.00 179.97 180.77 2ibo n ILE 19 N -4.36 0.00 -0.04 0.08 -5.35 0.27 -2.55 119.36 107.40 2ibo n ILE 19 Ca 0.05 -0.04 -0.18 0.00 -0.27 0.00 0.00 62.75 62.31 2ibo n ILE 19 Cb 0.13 -0.13 -0.13 0.00 -1.74 0.00 0.00 39.64 37.78 2ibo n ILE 19 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ibo h ALA 20 N 3.39 0.08 0.00 -1.28 0.00 -0.99 -1.03 119.26 119.43 2ibo h ALA 20 Ca 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 2ibo h ALA 20 Cb 0.41 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2ibo h ALA 20 CO 0.00 0.37 -0.25 -0.24 0.00 0.00 0.00 179.25 179.13 2ibo h VAL 21 N -0.77 0.92 -0.03 0.00 3.04 -1.34 0.13 116.25 118.20 2ibo h VAL 21 Ca -0.16 -0.96 -0.08 0.00 -1.01 0.00 0.00 66.70 64.49 2ibo h VAL 21 Cb 1.31 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 32.16 2ibo h VAL 21 CO -0.01 0.25 -0.28 0.40 -1.01 0.00 0.00 177.57 176.92 2ibo h ILE 22 N 0.00 1.48 -0.85 3.17 2.04 -1.57 -2.59 117.51 119.19 2ibo h ILE 22 Ca -0.00 -1.82 0.05 0.00 1.00 0.00 0.00 64.86 64.09 2ibo h ILE 22 Cb 0.54 2.55 -0.05 0.00 -0.74 0.00 0.00 36.82 39.12 2ibo h ILE 22 CO 0.03 0.51 0.56 0.44 0.00 0.00 0.00 178.15 179.69 2ibo h ASP 23 N -0.35 0.87 0.56 1.72 3.45 -0.65 -0.50 116.42 121.53 2ibo h ASP 23 Ca -0.03 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 2ibo h ASP 23 Cb 0.98 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 2ibo h ASP 23 CO 0.06 0.58 -0.38 1.56 -1.57 0.00 0.00 179.24 179.49 2ibo h GLN 24 N 1.00 -0.87 -0.65 3.56 1.08 -0.75 0.16 115.11 118.65 2ibo h GLN 24 Ca 0.35 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.71 2ibo h GLN 24 Cb 0.12 0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 2ibo h GLN 24 CO -0.12 -0.58 0.43 0.28 -0.95 0.00 0.00 178.83 177.89 2ibo h VAL 25 N -0.91 0.92 -0.03 -0.54 2.07 -1.05 -0.74 116.25 115.96 2ibo h VAL 25 Ca -0.07 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2ibo h VAL 25 Cb 0.75 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2ibo h VAL 25 CO 0.05 0.09 -0.01 0.40 0.02 0.00 0.00 177.57 178.12 2ibo h ILE 26 N 0.50 1.29 -0.30 4.57 1.08 -0.44 -1.61 117.51 122.61 2ibo h ILE 26 Ca 0.30 -0.88 0.04 0.00 -0.39 0.00 0.00 64.86 63.93 2ibo h ILE 26 Cb 0.50 1.82 -0.04 0.00 -3.07 0.00 0.00 36.82 36.03 2ibo h ILE 26 CO -0.09 0.24 0.06 0.00 -0.69 0.00 0.00 178.15 177.66 2ibo h ALA 27 N 0.65 0.31 -0.15 1.87 0.00 0.24 -0.17 119.26 122.01 2ibo h ALA 27 Ca 0.01 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2ibo h ALA 27 Cb 0.38 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2ibo h ALA 27 CO 0.00 -0.35 -0.09 -0.92 0.00 0.00 0.00 179.25 177.88 2ibo h TYR 28 N 0.16 -0.23 -0.81 0.00 3.20 -1.14 -1.99 116.97 116.17 2ibo h TYR 28 Ca 0.14 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.13 2ibo h TYR 28 Cb 0.15 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.47 2ibo h TYR 28 CO -0.18 -0.15 0.45 -0.07 -1.64 0.00 0.00 178.16 176.57 2ibo h LEU 29 N -0.09 0.62 -1.91 2.82 4.07 -0.70 0.20 115.31 120.32 2ibo h LEU 29 Ca 0.09 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 2ibo h LEU 29 Cb 0.23 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 2ibo h LEU 29 CO -0.21 0.34 -0.07 1.56 -1.08 0.00 0.00 178.44 178.98 2ibo h GLN 30 N 0.74 0.00 -0.22 1.13 4.20 -0.33 -2.02 115.11 118.61 2ibo h GLN 30 Ca 0.40 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.07 2ibo h GLN 30 Cb 0.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2ibo h GLN 30 CO -0.26 0.07 -0.02 1.15 -0.67 0.00 0.00 178.83 179.10 2ibo h THR 31 N 0.00 1.15 -4.31 -0.54 2.02 -0.37 -3.44 112.91 107.42 2ibo h THR 31 Ca -0.00 -0.58 -0.51 0.00 0.77 0.00 0.00 66.41 66.08 2ibo h THR 31 Cb 0.13 1.01 0.10 0.00 -1.74 0.00 0.00 68.15 67.65 2ibo h THR 31 CO 0.01 0.19 0.35 -1.10 0.37 0.00 0.00 175.52 175.35 2ibo s GLN 32 N -4.95 2.75 -1.02 6.66 -1.52 -0.76 -4.92 119.66 115.90 2ibo s GLN 32 Ca -0.06 1.08 -0.03 0.00 -1.95 0.00 0.00 55.36 54.40 2ibo s GLN 32 Cb 0.16 -1.96 0.23 0.00 -0.22 0.00 0.00 33.01 31.22 2ibo s GLN 32 CO 0.73 -1.25 2.16 0.39 -0.25 0.00 0.00 175.29 177.07 2ibo n GLU 33 N -3.09 4.36 -4.57 2.91 1.02 -1.26 -4.93 120.64 115.09 2ibo n GLU 33 Ca 0.08 -3.81 -0.25 0.00 -0.02 0.00 0.00 57.16 53.16 2ibo n GLU 33 Cb 0.53 -2.44 -0.14 0.00 -0.02 0.00 0.00 31.44 29.37 2ibo n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ibo s VAL 34 N -3.21 1.66 0.80 2.62 0.11 -1.26 -5.13 120.40 115.99 2ibo s VAL 34 Ca 0.48 -1.26 -0.11 0.00 -2.93 0.00 0.00 61.98 58.16 2ibo s VAL 34 Cb 0.25 -1.46 0.07 0.00 -1.53 0.00 0.00 36.38 33.72 2ibo s VAL 34 CO -0.18 0.15 1.11 -0.89 -3.33 0.00 0.00 175.10 171.97 2ibo s THR 35 N -0.87 2.93 -0.30 5.04 2.01 -1.21 -4.91 115.64 118.33 2ibo s THR 35 Ca 0.07 0.32 -0.16 0.00 0.31 0.00 0.00 61.69 62.23 2ibo s THR 35 Cb -0.09 -2.69 0.18 0.00 0.01 0.00 0.00 72.50 69.91 2ibo s THR 35 CO 0.02 -0.37 1.14 -0.69 -0.69 0.00 0.00 174.62 174.02 2ibo s VAL 37 N -2.73 -0.07 -0.33 3.82 1.01 0.35 -0.95 120.40 121.50 2ibo s VAL 37 Ca 0.64 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.43 2ibo s VAL 37 Cb -0.20 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2ibo s VAL 37 CO 0.54 0.00 0.55 -0.69 0.00 0.00 0.00 175.10 175.51 2ibo s VAL 38 N 1.46 4.99 0.44 2.92 1.01 -1.26 -0.11 120.40 129.85 2ibo s VAL 38 Ca -0.07 0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.52 2ibo s VAL 38 Cb -0.03 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2ibo s VAL 38 CO -0.13 -0.18 0.38 0.42 0.00 0.00 0.00 175.10 175.58 2ibo s THR 39 N 2.48 2.46 0.50 3.92 -4.23 -0.47 -4.99 115.64 115.30 2ibo s THR 39 Ca 0.21 -1.38 0.26 0.00 -1.18 0.00 0.00 61.69 59.60 2ibo s THR 39 Cb -0.15 -2.85 0.44 0.00 1.34 0.00 0.00 72.50 71.28 2ibo s THR 39 CO 0.13 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.45 2ibo h PRO 40 N 0.99 0.13 0.00 3.99 0.11 -2.00 -3.19 132.00 132.03 2ibo h PRO 40 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2ibo h PRO 40 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2ibo h PRO 40 CO 0.58 0.09 -0.94 1.19 -0.21 0.00 0.00 178.00 178.71 2ibo n PHE 41 N -4.36 0.00 -3.65 0.65 3.72 -1.26 -5.07 117.46 107.49 2ibo n PHE 41 Ca 0.18 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.46 2ibo n PHE 41 Cb 0.84 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 39.26 2ibo n PHE 41 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2ibo s GLU 42 N -2.03 0.98 -0.25 -1.08 -1.05 -1.21 -4.63 118.70 109.44 2ibo s GLU 42 Ca -0.01 -0.46 -0.09 0.00 -0.15 0.00 0.00 54.97 54.26 2ibo s GLU 42 Cb 0.02 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 34.10 2ibo s GLU 42 CO 0.13 -0.35 0.13 0.99 0.95 0.00 0.00 175.26 177.11 2ibo s THR 43 N -2.89 4.95 -0.22 1.83 2.01 0.13 -1.37 115.64 120.07 2ibo s THR 43 Ca -0.03 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 2ibo s THR 43 Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2ibo s THR 43 CO -0.05 0.33 0.37 -0.69 -0.69 0.00 0.00 174.62 173.89 2ibo s VAL 44 N 1.36 5.20 0.10 3.82 1.01 0.84 -0.00 120.40 132.73 2ibo s VAL 44 Ca 0.06 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.74 2ibo s VAL 44 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2ibo s VAL 44 CO 0.06 0.23 -0.11 -0.76 0.00 0.00 0.00 175.10 174.52 2ibo s LEU 45 N 1.51 2.97 -0.02 3.92 1.43 0.37 -0.50 118.68 128.36 2ibo s LEU 45 Ca 0.17 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2ibo s LEU 45 Cb -0.15 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.31 2ibo s LEU 45 CO 0.08 0.19 -0.03 -0.70 0.23 0.00 0.00 176.35 176.12 2ibo s GLU 46 N -2.10 0.42 0.00 1.70 2.12 -0.12 -1.42 118.70 119.29 2ibo s GLU 46 Ca 0.20 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2ibo s GLU 46 Cb -0.11 -0.47 0.00 0.00 0.26 0.00 0.00 34.13 33.81 2ibo s GLU 46 CO 0.12 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 2ibo n GLY 47 N 3.55 -0.60 3.76 -1.50 0.00 -0.67 -3.33 105.19 106.38 2ibo n GLY 47 Ca -0.20 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 2ibo n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ibo s GLU 48 N -1.82 4.35 0.18 1.61 0.41 -1.26 -1.21 118.70 120.97 2ibo s GLU 48 Ca 0.00 2.20 -0.16 0.00 -0.41 0.00 0.00 54.97 56.60 2ibo s GLU 48 Cb 0.00 -3.11 0.15 0.00 -1.78 0.00 0.00 34.13 29.40 2ibo s GLU 48 CO 0.00 -0.24 1.65 0.35 -0.49 0.00 0.00 175.26 176.52 2ibo h PHE 49 N 4.15 -0.28 -0.42 1.61 3.57 -1.87 -1.83 116.94 121.86 2ibo h PHE 49 Ca -0.47 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.15 2ibo h PHE 49 Cb 1.22 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 40.09 2ibo h PHE 49 CO 0.58 -0.22 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.96 2ibo h ASP 50 N -0.01 -0.26 -0.55 0.41 3.45 -2.01 -2.49 116.42 114.95 2ibo h ASP 50 Ca 0.24 0.11 -0.09 0.00 0.43 0.00 0.00 57.03 57.71 2ibo h ASP 50 Cb 0.37 0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.33 2ibo h ASP 50 CO -0.51 -0.09 -0.02 1.05 -1.57 0.00 0.00 179.24 178.10 2ibo h GLU 51 N 0.06 1.01 -1.59 3.56 4.11 -1.80 -2.34 114.58 117.60 2ibo h GLU 51 Ca 0.21 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2ibo h GLU 51 Cb 0.31 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2ibo h GLU 51 CO -0.38 1.00 0.00 1.28 0.07 0.00 0.00 179.01 180.97 2ibo n LEU 52 N -4.18 0.77 0.00 3.06 4.77 -0.74 -0.08 117.00 120.60 2ibo n LEU 52 Ca 0.03 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2ibo n LEU 52 Cb 0.35 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2ibo n LEU 52 CO 0.44 0.13 0.00 -1.14 -1.33 0.00 0.00 177.39 175.49 2ibo n ARG 54 N 0.81 0.00 -0.23 3.23 0.63 -0.88 0.20 116.66 120.43 2ibo n ARG 54 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 2ibo n ARG 54 Cb 0.13 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.08 2ibo n ARG 54 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2ibo h ILE 55 N 0.00 1.26 -0.17 5.15 2.04 -0.77 -1.91 117.51 123.11 2ibo h ILE 55 Ca 0.00 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 64.92 2ibo h ILE 55 Cb 0.00 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2ibo h ILE 55 CO 0.00 0.36 0.06 0.25 0.00 0.00 0.00 178.15 178.82 2ibo h LEU 56 N 0.97 0.07 -0.59 1.44 5.85 -0.48 0.33 115.31 122.89 2ibo h LEU 56 Ca 0.20 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2ibo h LEU 56 Cb 0.38 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2ibo h LEU 56 CO 0.00 0.07 0.39 0.50 -0.34 0.00 0.00 178.44 179.06 2ibo h LYS 57 N 0.14 0.78 -0.29 1.25 3.64 -1.76 -1.04 116.57 119.30 2ibo h LYS 57 Ca 0.07 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2ibo h LYS 57 Cb 0.04 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2ibo h LYS 57 CO -0.08 0.52 -0.02 0.93 -2.27 0.00 0.00 179.45 178.54 2ibo h GLU 58 N 0.80 0.52 -0.66 1.90 4.39 -1.00 -1.42 114.58 119.11 2ibo h GLU 58 Ca 0.21 -0.17 0.11 0.00 0.34 0.00 0.00 59.36 59.85 2ibo h GLU 58 Cb -0.09 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.44 2ibo h GLU 58 CO -0.05 0.69 0.24 0.00 -1.16 0.00 0.00 179.01 178.73 2ibo h ALA 59 N 0.82 0.87 -0.32 3.43 0.00 0.02 0.23 119.26 124.32 2ibo h ALA 59 Ca 0.08 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2ibo h ALA 59 Cb 0.46 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2ibo h ALA 59 CO 0.02 -0.20 -0.29 -0.07 0.00 0.00 0.00 179.25 178.70 2ibo h LEU 60 N 0.41 0.69 -0.93 0.00 3.38 -1.04 -1.50 115.31 116.31 2ibo h LEU 60 Ca 0.34 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2ibo h LEU 60 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2ibo h LEU 60 CO -0.35 0.94 -0.23 -0.33 0.09 0.00 0.00 178.44 178.56 2ibo h GLU 61 N 0.57 0.51 0.13 1.13 5.08 -0.09 0.72 114.58 122.64 2ibo h GLU 61 Ca 0.07 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2ibo h GLU 61 Cb 0.79 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2ibo h GLU 61 CO 0.06 0.71 -0.06 0.28 -1.00 0.00 0.00 179.01 179.00 2ibo h VAL 62 N 0.46 0.97 -0.93 3.13 2.07 -0.25 -2.60 116.25 119.10 2ibo h VAL 62 Ca 0.07 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.20 2ibo h VAL 62 Cb 0.65 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 2ibo h VAL 62 CO 0.05 0.10 0.61 0.00 0.02 0.00 0.00 177.57 178.35 2ibo h ALA 63 N 0.46 1.42 0.00 1.67 0.00 -0.97 -1.90 119.26 119.95 2ibo h ALA 63 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ibo h ALA 63 Cb 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ibo h ALA 63 CO 0.03 0.48 0.00 0.78 0.00 0.00 0.00 179.25 180.54 2ibo h GLY 64 N 1.15 0.00 -4.54 0.00 0.00 -0.70 -2.80 103.07 96.18 2ibo h GLY 64 Ca 0.38 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 47.01 2ibo h GLY 64 CO -0.12 0.00 0.52 -0.18 0.00 0.00 0.00 176.54 176.76 2ibo n GLN 65 N -2.66 2.94 0.00 4.80 7.27 -0.71 -3.90 117.38 125.11 2ibo n GLN 65 Ca 0.01 -3.70 0.00 0.00 0.07 0.00 0.00 57.00 53.38 2ibo n GLN 65 Cb 0.24 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.62 2ibo n GLN 65 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2ibo n GLU 66 N -0.64 0.04 -3.62 3.69 4.07 -1.07 -5.02 120.64 118.09 2ibo n GLU 66 Ca 0.53 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 57.47 2ibo n GLU 66 Cb 0.49 -0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.80 2ibo n GLU 66 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ibo s ALA 67 N 0.00 -1.34 -0.18 4.31 0.00 -1.15 -4.91 121.76 118.49 2ibo s ALA 67 Ca 0.00 0.86 0.17 0.00 0.00 0.00 0.00 51.96 52.99 2ibo s ALA 67 Cb 0.00 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2ibo s ALA 67 CO 0.00 -0.34 1.22 -0.44 0.00 0.00 0.00 175.76 176.20 2ibo h ASP 68 N 3.31 0.00 -3.67 0.00 5.19 -1.90 -3.42 116.42 115.94 2ibo h ASP 68 Ca -0.28 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.50 2ibo h ASP 68 Cb 1.16 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 40.29 2ibo h ASP 68 CO 0.40 0.43 -0.78 0.20 -3.12 0.00 0.00 179.24 176.36 2ibo s ASN 69 N -6.10 4.05 -0.12 6.45 0.01 -1.26 -5.10 114.94 112.87 2ibo s ASN 69 Ca 0.02 -1.32 0.03 0.00 -0.71 0.00 0.00 52.86 50.88 2ibo s ASN 69 Cb 0.08 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.47 2ibo s ASN 69 CO 0.76 -0.25 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.19 2ibo s VAL 70 N 1.31 2.03 -0.03 1.60 1.01 -1.26 -4.44 120.40 120.62 2ibo s VAL 70 Ca -0.04 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.02 2ibo s VAL 70 Cb -0.19 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 2ibo s VAL 70 CO -0.07 0.55 -0.24 0.12 0.00 0.00 0.00 175.10 175.46 2ibo s PHE 71 N 0.56 2.39 0.01 5.22 2.19 -0.69 -5.01 117.98 122.66 2ibo s PHE 71 Ca -0.14 -0.44 0.00 0.00 0.33 0.00 0.00 56.93 56.69 2ibo s PHE 71 Cb -0.17 -1.53 -0.01 0.00 -1.31 0.00 0.00 43.02 40.00 2ibo s PHE 71 CO 0.04 -0.03 -0.03 0.00 1.83 0.00 0.00 175.22 177.03 2ibo s ALA 72 N -0.56 0.15 -0.14 11.12 0.00 -1.26 0.92 121.76 131.99 2ibo s ALA 72 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 2ibo s ALA 72 Cb -0.11 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2ibo s ALA 72 CO -0.00 -0.07 -0.01 -0.80 0.00 0.00 0.00 175.76 174.88 2ibo s ASN 73 N -0.83 5.07 -0.00 0.00 0.02 0.31 -4.97 114.94 114.54 2ibo s ASN 73 Ca -0.08 -0.01 0.02 0.00 -1.02 0.00 0.00 52.86 51.78 2ibo s ASN 73 Cb -0.06 -1.70 -0.01 0.00 0.02 0.00 0.00 41.25 39.51 2ibo s ASN 73 CO -0.00 0.24 -0.07 -0.69 0.02 0.00 0.00 177.10 176.59 2ibo s VAL 74 N -0.06 0.57 -0.11 1.60 1.01 -1.26 -1.18 120.40 120.98 2ibo s VAL 74 Ca 0.03 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2ibo s VAL 74 Cb -0.13 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 2ibo s VAL 74 CO 0.02 0.12 -0.22 -0.54 0.00 0.00 0.00 175.10 174.48 2ibo s LYS 75 N -0.28 3.11 -0.11 2.72 1.02 0.01 -4.94 119.74 121.27 2ibo s LYS 75 Ca 0.02 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.20 2ibo s LYS 75 Cb -0.03 -2.37 -0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2ibo s LYS 75 CO -0.00 0.18 -0.21 0.42 -0.92 0.00 0.00 175.35 174.81 2ibo s ILE 76 N 0.37 2.32 -0.05 2.17 1.01 -1.26 -0.29 121.20 125.46 2ibo s ILE 76 Ca -0.17 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.58 2ibo s ILE 76 Cb -0.17 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.39 2ibo s ILE 76 CO 0.08 0.55 -0.12 0.21 0.00 0.00 0.00 174.94 175.66 2ibo s ASN 77 N 0.33 1.66 -0.08 3.58 3.84 0.21 -4.99 114.94 119.49 2ibo s ASN 77 Ca -0.17 -0.27 0.01 0.00 0.21 0.00 0.00 52.86 52.65 2ibo s ASN 77 Cb -0.17 -0.62 0.02 0.00 -0.55 0.00 0.00 41.25 39.93 2ibo s ASN 77 CO 0.08 0.06 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.66 2ibo s VAL 78 N 0.41 1.04 -1.75 -5.21 1.01 -1.26 -0.48 120.40 114.16 2ibo s VAL 78 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2ibo s VAL 78 Cb -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2ibo s VAL 78 CO 0.02 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2ibo n GLY 79 N 4.19 0.63 0.00 4.51 0.00 -1.26 -4.95 105.19 108.32 2ibo n GLY 79 Ca -0.20 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2ibo n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ibo n GLU 80 N 0.00 0.92 -0.26 1.61 1.02 -1.26 -4.87 120.64 117.80 2ibo n GLU 80 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 2ibo n GLU 80 Cb 0.00 -0.08 0.09 0.00 -0.02 0.00 0.00 31.44 31.43 2ibo n GLU 80 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2ibo h ILE 81 N 0.00 0.25 0.00 -3.67 6.09 -2.04 0.87 117.51 119.01 2ibo h ILE 81 Ca 0.00 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2ibo h ILE 81 Cb 0.00 0.24 0.00 0.00 0.47 0.00 0.00 36.82 37.53 2ibo h ILE 81 CO 0.00 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.26 2ibo n LEU 82 N -5.50 0.00 -2.98 2.19 4.77 -1.26 -4.93 117.00 109.29 2ibo n LEU 82 Ca 0.10 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 2ibo n LEU 82 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2ibo n LEU 82 CO -0.01 0.00 -0.03 -0.24 -1.33 0.00 0.00 177.39 175.78 2ibo n SER 83 N -0.67 -0.60 0.24 -1.43 2.88 0.30 -4.77 113.62 109.58 2ibo n SER 83 Ca 0.08 -0.14 0.16 0.00 -1.33 0.00 0.00 58.87 57.64 2ibo n SER 83 Cb 0.03 -0.21 0.71 0.00 -0.75 0.00 0.00 64.21 64.00 2ibo n SER 83 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2ibo h ILE 84 N 1.27 0.00 0.00 2.46 1.08 -1.91 -2.57 117.51 117.84 2ibo h ILE 84 Ca -0.09 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 2ibo h ILE 84 Cb 0.18 1.21 -0.00 0.00 -3.07 0.00 0.00 36.82 35.14 2ibo h ILE 84 CO 0.05 0.00 -0.06 -0.78 -0.69 0.00 0.00 178.15 176.68 2ibo h ASP 85 N 0.00 0.00 0.00 1.72 3.58 -1.96 -2.21 116.42 117.56 2ibo h ASP 85 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ibo h ASP 85 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2ibo h ASP 85 CO 0.00 0.06 0.14 -0.62 -2.88 0.00 0.00 179.24 175.94 2ibo n GLU 86 N -3.35 0.10 0.00 0.28 -0.58 -0.97 -3.12 120.64 113.00 2ibo n GLU 86 Ca -0.02 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 2ibo n GLU 86 Cb 0.21 -1.96 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 2ibo n GLU 86 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2ibo n LYS 87 N -2.04 0.04 0.13 3.49 2.85 -0.83 -2.27 118.16 119.52 2ibo n LYS 87 Ca -0.01 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.27 2ibo n LYS 87 Cb 0.16 -1.02 0.36 0.00 -0.65 0.00 0.00 35.03 33.89 2ibo n LYS 87 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 177.40 178.72 2ibo h LEU 88 N 0.77 0.19 -8.21 -5.58 -0.00 -1.85 -3.30 115.31 97.33 2ibo h LEU 88 Ca 0.00 -0.05 -0.52 0.00 -0.00 0.00 0.00 57.88 57.31 2ibo h LEU 88 Cb 0.02 -0.05 -0.08 0.00 -0.00 0.00 0.00 40.66 40.54 2ibo h LEU 88 CO 0.00 0.42 1.25 -1.61 -0.00 0.00 0.00 178.44 178.50 2ibo s GLU 89 N -4.54 3.24 0.00 0.17 2.02 -0.96 -5.23 118.70 113.39 2ibo s GLU 89 Ca -0.05 -0.66 0.27 0.00 0.02 0.00 0.00 54.97 54.55 2ibo s GLU 89 Cb 0.15 -4.99 0.81 0.00 0.10 0.00 0.00 34.13 30.19 2ibo s GLU 89 CO 0.74 -2.46 1.61 1.63 0.02 0.00 0.00 175.26 176.79