#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 -0.42 0.01 7.82 0.00 -0.72 -4.30 121.76 124.15 2ibo s ALA 3 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2ibo s ALA 3 Cb 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2ibo s ALA 3 CO 0.00 -0.71 -0.03 0.45 0.00 0.00 0.00 175.76 175.46 2ibo s SER 4 N -2.92 0.35 0.02 0.00 0.15 -0.12 -2.25 113.70 108.94 2ibo s SER 4 Ca 0.13 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.56 2ibo s SER 4 Cb 0.01 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 2ibo s SER 4 CO -0.02 -0.11 -0.12 -0.63 1.20 0.00 0.00 173.24 173.56 2ibo s ILE 5 N -0.70 0.95 -0.22 6.45 -1.09 -0.85 0.38 121.20 126.12 2ibo s ILE 5 Ca -0.06 -0.83 -0.00 0.00 -2.23 0.00 0.00 60.65 57.53 2ibo s ILE 5 Cb -0.05 -0.86 0.06 0.00 -1.58 0.00 0.00 42.46 40.03 2ibo s ILE 5 CO -0.00 0.03 -0.03 0.00 -1.23 0.00 0.00 174.94 173.71 2ibo s ALA 6 N -0.71 1.65 -0.18 9.38 0.00 0.05 -0.13 121.76 131.82 2ibo s ALA 6 Ca 0.01 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 2ibo s ALA 6 Cb -0.07 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 2ibo s ALA 6 CO 0.01 -1.15 0.04 -1.17 0.00 0.00 0.00 175.76 173.49 2ibo s LEU 7 N 1.55 3.65 -0.16 0.00 2.96 0.88 -1.24 118.68 126.32 2ibo s LEU 7 Ca -0.04 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2ibo s LEU 7 Cb -0.18 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.62 2ibo s LEU 7 CO -0.07 0.15 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.43 2ibo s GLN 8 N 0.49 2.00 -0.12 1.98 0.74 0.67 -0.60 119.66 124.82 2ibo s GLN 8 Ca 0.02 -0.59 -0.07 0.00 0.05 0.00 0.00 55.36 54.77 2ibo s GLN 8 Cb -0.13 -2.11 -0.04 0.00 1.10 0.00 0.00 33.01 31.83 2ibo s GLN 8 CO 0.01 -0.32 0.12 0.08 -0.55 0.00 0.00 175.29 174.63 2ibo s VAL 9 N 1.51 5.32 -0.33 1.34 1.01 -1.26 -0.12 120.40 127.86 2ibo s VAL 9 Ca 0.03 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 2ibo s VAL 9 Cb -0.14 -3.32 0.13 0.00 0.00 0.00 0.00 36.38 33.05 2ibo s VAL 9 CO -0.09 0.60 0.18 -0.76 0.00 0.00 0.00 175.10 175.03 2ibo s LEU 10 N -0.87 0.98 0.17 3.92 1.43 0.18 -4.99 118.68 119.51 2ibo s LEU 10 Ca 0.14 -1.90 -0.30 0.00 -1.03 0.00 0.00 54.13 51.04 2ibo s LEU 10 Cb -0.12 -0.43 -0.07 0.00 0.03 0.00 0.00 46.19 45.59 2ibo s LEU 10 CO 0.03 -0.35 1.02 -2.84 0.23 0.00 0.00 176.35 174.43 2ibo s PRO 11 N 1.39 4.69 -0.30 1.29 0.02 -1.26 -1.56 135.00 139.27 2ibo s PRO 11 Ca 0.15 1.58 0.11 0.00 0.02 0.00 0.00 61.00 62.86 2ibo s PRO 11 Cb -0.21 -3.31 0.47 0.00 0.02 0.00 0.00 34.50 31.48 2ibo s PRO 11 CO -0.12 0.23 1.15 1.28 -0.33 0.00 0.00 177.00 179.21 2ibo n LEU 12 N 2.25 3.92 -0.03 -5.54 4.77 -0.83 -4.86 117.00 116.68 2ibo n LEU 12 Ca 0.01 -4.32 -0.08 0.00 -0.03 0.00 0.00 56.01 51.59 2ibo n LEU 12 Cb 0.47 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 2ibo n LEU 12 CO 0.52 1.83 -0.68 0.52 -1.33 0.00 0.00 177.39 178.25 2ibo n VAL 13 N -0.63 0.68 0.00 4.08 0.31 -1.26 -4.90 118.33 116.60 2ibo n VAL 13 Ca 0.33 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.63 2ibo n VAL 13 Cb 0.89 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2ibo n VAL 13 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2ibo n GLN 14 N -3.50 0.00 0.06 5.55 -0.06 -1.26 -5.13 117.38 113.04 2ibo n GLN 14 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 2ibo n GLN 14 Cb 0.52 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.70 2ibo n GLN 14 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ibo n GLY 15 N 5.00 -0.19 0.66 1.69 0.00 -1.26 -4.97 105.19 106.12 2ibo n GLY 15 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2ibo n GLY 15 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ibo n ILE 16 N -2.95 0.00 0.00 -0.61 -0.00 -1.26 -4.60 119.36 109.94 2ibo n ILE 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2ibo n ILE 16 Cb 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 39.64 39.86 2ibo n ILE 16 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2ibo n ASP 17 N 0.00 0.00 0.09 7.28 8.00 -1.26 -3.32 116.55 127.34 2ibo n ASP 17 Ca -0.12 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 2ibo n ASP 17 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 2ibo n ASP 17 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2ibo h ARG 18 N 0.00 -0.30 0.00 -1.24 2.43 -1.94 0.40 114.38 113.73 2ibo h ARG 18 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2ibo h ARG 18 Cb 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2ibo h ARG 18 CO 0.00 0.03 0.00 0.44 -1.51 0.00 0.00 179.97 178.93 2ibo n ILE 19 N -4.99 0.00 -0.07 1.20 -5.35 -1.21 -1.16 119.36 107.79 2ibo n ILE 19 Ca -0.07 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.36 2ibo n ILE 19 Cb 0.24 -0.94 -0.02 0.00 -1.74 0.00 0.00 39.64 37.18 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 2.01 0.02 -0.44 -1.28 0.00 -1.08 -3.08 119.26 115.42 2ibo h ALA 20 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.53 2ibo h ALA 20 Cb 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2ibo h ALA 20 CO 0.00 0.37 0.29 -0.24 0.00 0.00 0.00 179.25 179.67 2ibo h VAL 21 N -1.00 1.02 -0.08 0.00 3.04 -0.31 0.25 116.25 119.17 2ibo h VAL 21 Ca -0.03 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 2ibo h VAL 21 Cb 0.44 0.54 -0.00 0.00 -2.01 0.00 0.00 31.29 30.26 2ibo h VAL 21 CO -0.02 0.08 -0.03 0.40 -1.01 0.00 0.00 177.57 176.99 2ibo h ILE 22 N 0.44 1.31 -0.94 3.17 2.04 -1.33 -1.38 117.51 120.82 2ibo h ILE 22 Ca 0.18 -1.00 0.18 0.00 1.00 0.00 0.00 64.86 65.21 2ibo h ILE 22 Cb 0.17 1.80 -0.10 0.00 -0.74 0.00 0.00 36.82 37.95 2ibo h ILE 22 CO -0.04 0.28 0.54 0.44 0.00 0.00 0.00 178.15 179.36 2ibo h ASP 23 N -0.18 0.67 0.71 1.72 3.45 -0.83 0.17 116.42 122.12 2ibo h ASP 23 Ca 0.02 0.10 -0.03 0.00 0.43 0.00 0.00 57.03 57.54 2ibo h ASP 23 Cb 0.46 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 39.22 2ibo h ASP 23 CO 0.01 0.24 -0.34 1.56 -1.57 0.00 0.00 179.24 179.14 2ibo h GLN 24 N 0.69 -0.92 -0.84 3.56 1.08 -0.36 0.26 115.11 118.59 2ibo h GLN 24 Ca 0.54 0.06 0.18 0.00 -1.45 0.00 0.00 58.65 57.98 2ibo h GLN 24 Cb 0.82 0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 28.40 2ibo h GLN 24 CO -0.39 -0.60 0.56 0.28 -0.95 0.00 0.00 178.83 177.73 2ibo h VAL 25 N -1.00 0.73 -0.07 -0.54 2.07 -0.39 0.15 116.25 117.20 2ibo h VAL 25 Ca -0.10 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2ibo h VAL 25 Cb 0.74 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2ibo h VAL 25 CO 0.16 0.07 -0.02 0.40 0.02 0.00 0.00 177.57 178.20 2ibo h ILE 26 N 0.40 1.31 -0.26 4.57 1.08 -0.10 -1.53 117.51 122.99 2ibo h ILE 26 Ca 0.42 -0.98 0.04 0.00 -0.39 0.00 0.00 64.86 63.95 2ibo h ILE 26 Cb 1.03 1.82 -0.03 0.00 -3.07 0.00 0.00 36.82 36.57 2ibo h ILE 26 CO -0.15 0.27 0.05 0.00 -0.69 0.00 0.00 178.15 177.63 2ibo h ALA 27 N 0.65 0.27 -0.15 1.87 0.00 0.13 -0.66 119.26 121.36 2ibo h ALA 27 Ca 0.02 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2ibo h ALA 27 Cb 0.44 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2ibo h ALA 27 CO 0.01 -0.37 -0.10 -0.92 0.00 0.00 0.00 179.25 177.87 2ibo h TYR 28 N 0.15 -0.25 -0.82 0.00 3.20 -0.76 -2.12 116.97 116.36 2ibo h TYR 28 Ca 0.12 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.11 2ibo h TYR 28 Cb 0.12 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 38.45 2ibo h TYR 28 CO -0.16 -0.16 0.46 -0.07 -1.64 0.00 0.00 178.16 176.58 2ibo h LEU 29 N -0.11 0.63 -1.85 2.82 4.07 -0.78 0.04 115.31 120.14 2ibo h LEU 29 Ca 0.09 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 2ibo h LEU 29 Cb 0.24 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 2ibo h LEU 29 CO -0.22 0.34 -0.08 1.56 -1.08 0.00 0.00 178.44 178.97 2ibo h GLN 30 N 0.74 0.00 -0.28 1.13 4.20 -0.50 -2.15 115.11 118.25 2ibo h GLN 30 Ca 0.41 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.09 2ibo h GLN 30 Cb 0.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2ibo h GLN 30 CO -0.27 0.08 0.05 1.15 -0.67 0.00 0.00 178.83 179.16 2ibo h THR 31 N 0.00 1.15 -4.29 -0.54 2.02 -0.44 -3.44 112.91 107.36 2ibo h THR 31 Ca -0.00 -0.53 -0.51 0.00 0.77 0.00 0.00 66.41 66.14 2ibo h THR 31 Cb 0.14 0.89 0.10 0.00 -1.74 0.00 0.00 68.15 67.54 2ibo h THR 31 CO 0.01 0.19 0.36 -1.10 0.37 0.00 0.00 175.52 175.35 2ibo s GLN 32 N -5.07 2.81 -1.04 6.66 -1.52 -0.81 -4.92 119.66 115.76 2ibo s GLN 32 Ca -0.07 1.10 -0.03 0.00 -1.95 0.00 0.00 55.36 54.41 2ibo s GLN 32 Cb 0.16 -1.97 0.21 0.00 -0.22 0.00 0.00 33.01 31.19 2ibo s GLN 32 CO 0.74 -1.21 2.21 0.39 -0.25 0.00 0.00 175.29 177.17 2ibo n GLU 33 N -2.97 4.37 -4.61 2.91 1.02 -1.26 -4.92 120.64 115.18 2ibo n GLU 33 Ca 0.08 -3.73 -0.25 0.00 -0.02 0.00 0.00 57.16 53.25 2ibo n GLU 33 Cb 0.53 -2.46 -0.14 0.00 -0.02 0.00 0.00 31.44 29.35 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 -2.87 1.60 0.83 2.62 0.11 -1.26 -5.13 120.40 116.29 2ibo s VAL 34 Ca 0.49 -1.17 -0.10 0.00 -2.93 0.00 0.00 61.98 58.27 2ibo s VAL 34 Cb 0.24 -1.39 0.09 0.00 -1.53 0.00 0.00 36.38 33.79 2ibo s VAL 34 CO -0.16 0.19 1.11 -0.89 -3.33 0.00 0.00 175.10 172.01 2ibo s THR 35 N -0.80 2.86 -0.30 5.04 2.01 -1.22 -4.91 115.64 118.33 2ibo s THR 35 Ca 0.07 0.28 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 2ibo s THR 35 Cb -0.09 -2.60 0.18 0.00 0.01 0.00 0.00 72.50 70.01 2ibo s THR 35 CO 0.02 -0.37 1.15 -0.69 -0.69 0.00 0.00 174.62 174.04 2ibo s VAL 37 N -2.81 -0.11 -0.34 3.82 1.01 0.19 -1.07 120.40 121.09 2ibo s VAL 37 Ca 0.63 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 2ibo s VAL 37 Cb -0.19 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 2ibo s VAL 37 CO 0.57 0.00 0.64 -0.69 0.00 0.00 0.00 175.10 175.62 2ibo s VAL 38 N 1.64 4.90 0.41 2.92 1.01 -1.26 -0.01 120.40 130.01 2ibo s VAL 38 Ca -0.05 0.71 0.08 0.00 0.00 0.00 0.00 61.98 62.72 2ibo s VAL 38 Cb -0.03 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2ibo s VAL 38 CO -0.14 -0.25 0.34 0.42 0.00 0.00 0.00 175.10 175.47 2ibo s THR 39 N 2.69 2.67 0.49 3.92 -4.23 -0.44 -4.99 115.64 115.76 2ibo s THR 39 Ca 0.25 -1.39 0.29 0.00 -1.18 0.00 0.00 61.69 59.65 2ibo s THR 39 Cb -0.15 -3.01 0.47 0.00 1.34 0.00 0.00 72.50 71.16 2ibo s THR 39 CO 0.14 -0.01 1.83 -0.65 -0.54 0.00 0.00 174.62 175.38 2ibo h PRO 40 N 1.10 0.13 0.00 3.99 0.11 -2.03 -3.15 132.00 132.15 2ibo h PRO 40 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2ibo h PRO 40 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ibo h PRO 40 CO 0.59 0.09 -0.73 1.19 -0.21 0.00 0.00 178.00 178.93 2ibo n PHE 41 N -4.35 0.00 -3.60 0.65 3.72 -1.26 -5.07 117.46 107.54 2ibo n PHE 41 Ca 0.22 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.50 2ibo n PHE 41 Cb 1.01 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 39.47 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 -1.79 1.02 -0.25 -1.08 -1.05 -1.19 -4.60 118.70 109.76 2ibo s GLU 42 Ca -0.00 -0.38 -0.09 0.00 -0.15 0.00 0.00 54.97 54.34 2ibo s GLU 42 Cb 0.01 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 2ibo s GLU 42 CO 0.08 -0.38 0.13 0.99 0.95 0.00 0.00 175.26 177.03 2ibo s THR 43 N -2.80 4.95 -0.23 1.83 2.01 0.23 -1.33 115.64 120.29 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 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2ibo s THR 43 CO -0.05 0.33 0.35 -0.69 -0.69 0.00 0.00 174.62 173.88 2ibo s VAL 44 N 1.32 5.22 0.10 3.82 1.01 0.98 -0.08 120.40 132.77 2ibo s VAL 44 Ca 0.06 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.68 2ibo s VAL 44 Cb -0.15 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2ibo s VAL 44 CO 0.06 0.24 -0.09 -0.76 0.00 0.00 0.00 175.10 174.55 2ibo s LEU 45 N 1.51 3.10 -0.02 3.92 1.43 0.81 -0.63 118.68 128.80 2ibo s LEU 45 Ca 0.16 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2ibo s LEU 45 Cb -0.15 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.20 2ibo s LEU 45 CO 0.08 0.18 -0.02 -0.70 0.23 0.00 0.00 176.35 176.12 2ibo s GLU 46 N -2.20 0.37 0.00 1.70 2.12 -0.23 -2.00 118.70 118.46 2ibo s GLU 46 Ca 0.22 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.51 2ibo s GLU 46 Cb -0.11 -0.45 0.00 0.00 0.26 0.00 0.00 34.13 33.83 2ibo s GLU 46 CO 0.14 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 2ibo n GLY 47 N 3.62 -0.61 3.75 -1.50 0.00 -0.95 -3.37 105.19 106.14 2ibo n GLY 47 Ca -0.21 -1.08 -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 -1.78 4.35 0.18 1.61 0.41 -1.26 -1.76 118.70 120.45 2ibo s GLU 48 Ca 0.00 2.19 -0.17 0.00 -0.41 0.00 0.00 54.97 56.58 2ibo s GLU 48 Cb 0.00 -3.12 0.15 0.00 -1.78 0.00 0.00 34.13 29.38 2ibo s GLU 48 CO 0.00 -0.25 1.63 0.35 -0.49 0.00 0.00 175.26 176.50 2ibo h PHE 49 N 4.34 -0.45 -0.45 1.61 3.57 -1.87 -1.71 116.94 121.99 2ibo h PHE 49 Ca -0.47 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.17 2ibo h PHE 49 Cb 1.22 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 40.15 2ibo h PHE 49 CO 0.59 -0.27 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.91 2ibo h ASP 50 N -0.07 -0.28 -0.54 0.41 3.45 -2.01 -2.47 116.42 114.90 2ibo h ASP 50 Ca 0.23 0.12 -0.10 0.00 0.43 0.00 0.00 57.03 57.71 2ibo h ASP 50 Cb 0.43 0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.41 2ibo h ASP 50 CO -0.54 -0.10 -0.03 1.05 -1.57 0.00 0.00 179.24 178.04 2ibo h GLU 51 N 0.07 1.01 -1.59 3.56 4.11 -1.74 -2.35 114.58 117.64 2ibo h GLU 51 Ca 0.22 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2ibo h GLU 51 Cb 0.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2ibo h GLU 51 CO -0.41 1.01 0.00 1.28 0.07 0.00 0.00 179.01 180.96 2ibo n LEU 52 N -4.17 0.76 0.00 3.06 4.77 -0.72 -0.17 117.00 120.53 2ibo n LEU 52 Ca 0.02 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2ibo n LEU 52 Cb 0.36 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 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 0.82 0.00 -0.22 3.23 0.63 -0.88 0.45 116.66 120.68 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 0.03 0.00 0.45 0.00 0.00 32.46 33.07 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 -0.15 5.15 2.04 -0.84 -1.78 117.51 123.19 2ibo h ILE 55 Ca 0.00 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.92 2ibo h ILE 55 Cb 0.00 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2ibo h ILE 55 CO 0.00 0.36 -0.02 0.25 0.00 0.00 0.00 178.15 178.74 2ibo h LEU 56 N 0.94 -0.11 -0.50 1.44 5.85 -0.24 0.21 115.31 122.90 2ibo h LEU 56 Ca 0.19 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2ibo h LEU 56 Cb 0.39 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2ibo h LEU 56 CO 0.01 -0.04 0.29 0.50 -0.34 0.00 0.00 178.44 178.86 2ibo h LYS 57 N 0.02 0.56 -0.34 1.25 3.64 -1.75 -0.96 116.57 118.98 2ibo h LYS 57 Ca 0.07 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2ibo h LYS 57 Cb 0.10 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2ibo h LYS 57 CO -0.14 0.37 0.03 1.49 -2.27 0.00 0.00 179.45 178.93 2ibo h GLU 58 N 0.57 0.59 -0.53 1.90 4.22 -0.94 -0.97 114.58 119.42 2ibo h GLU 58 Ca 0.20 -0.17 0.09 0.00 0.08 0.00 0.00 59.36 59.57 2ibo h GLU 58 Cb 0.04 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 2ibo h GLU 58 CO -0.10 0.68 0.11 0.00 -2.18 0.00 0.00 179.01 177.53 2ibo h ALA 59 N 0.88 0.61 -0.44 2.92 0.00 -0.21 0.22 119.26 123.24 2ibo h ALA 59 Ca 0.10 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2ibo h ALA 59 Cb 0.40 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2ibo h ALA 59 CO 0.01 -0.30 -0.10 -0.07 0.00 0.00 0.00 179.25 178.79 2ibo h LEU 60 N 0.25 0.77 -1.05 0.00 3.38 -0.96 -1.47 115.31 116.23 2ibo h LEU 60 Ca 0.27 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2ibo h LEU 60 Cb 0.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2ibo h LEU 60 CO -0.35 0.90 -0.22 -0.33 0.09 0.00 0.00 178.44 178.53 2ibo h GLU 61 N 0.71 0.41 0.11 1.13 5.08 -0.07 0.73 114.58 122.69 2ibo h GLU 61 Ca 0.12 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ibo h GLU 61 Cb 0.58 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ibo h GLU 61 CO 0.04 0.61 -0.05 0.28 -1.00 0.00 0.00 179.01 178.89 2ibo h VAL 62 N 0.37 1.03 -0.96 3.13 2.07 -0.19 -2.63 116.25 119.06 2ibo h VAL 62 Ca 0.06 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.06 2ibo h VAL 62 Cb 0.60 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 2ibo h VAL 62 CO 0.04 0.13 0.63 0.00 0.02 0.00 0.00 177.57 178.39 2ibo h ALA 63 N 0.44 1.38 0.00 1.67 0.00 -1.00 -1.91 119.26 119.85 2ibo h ALA 63 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ibo h ALA 63 Cb 0.33 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ibo h ALA 63 CO 0.03 0.53 0.00 0.78 0.00 0.00 0.00 179.25 180.59 2ibo h GLY 64 N 1.22 0.00 -4.57 0.00 0.00 -0.74 -2.73 103.07 96.23 2ibo h GLY 64 Ca 0.38 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 47.01 2ibo h GLY 64 CO -0.11 0.00 0.54 -0.18 0.00 0.00 0.00 176.54 176.79 2ibo n GLN 65 N -2.76 2.93 0.00 4.80 7.27 -0.72 -3.91 117.38 125.00 2ibo n GLN 65 Ca 0.00 -3.70 0.00 0.00 0.07 0.00 0.00 57.00 53.38 2ibo n GLN 65 Cb 0.23 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.61 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 -0.63 0.04 -3.62 3.69 4.07 -1.04 -5.02 120.64 118.13 2ibo n GLU 66 Ca 0.53 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.47 2ibo n GLU 66 Cb 0.47 -0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.78 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 -1.31 -0.18 4.31 0.00 -1.15 -4.95 121.76 118.47 2ibo s ALA 67 Ca 0.00 0.79 0.17 0.00 0.00 0.00 0.00 51.96 52.92 2ibo s ALA 67 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2ibo s ALA 67 CO 0.00 -0.37 1.18 -0.44 0.00 0.00 0.00 175.76 176.13 2ibo h ASP 68 N 3.23 0.00 -3.66 0.00 5.19 -1.90 -3.42 116.42 115.87 2ibo h ASP 68 Ca -0.29 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.50 2ibo h ASP 68 Cb 1.17 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 40.30 2ibo h ASP 68 CO 0.40 0.42 -0.78 0.20 -3.12 0.00 0.00 179.24 176.36 2ibo s ASN 69 N -6.05 4.03 -0.11 6.45 0.01 -1.26 -5.10 114.94 112.91 2ibo s ASN 69 Ca 0.01 -1.31 0.03 0.00 -0.71 0.00 0.00 52.86 50.89 2ibo s ASN 69 Cb 0.08 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.48 2ibo s ASN 69 CO 0.77 -0.25 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.19 2ibo s VAL 70 N 1.32 2.04 -0.03 1.60 1.01 -1.26 -1.96 120.40 123.12 2ibo s VAL 70 Ca -0.04 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.01 2ibo s VAL 70 Cb -0.19 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2ibo s VAL 70 CO -0.07 0.55 -0.25 0.12 0.00 0.00 0.00 175.10 175.45 2ibo s PHE 71 N 0.51 2.38 0.01 5.22 2.19 -0.60 -5.00 117.98 122.69 2ibo s PHE 71 Ca -0.15 -0.45 -0.00 0.00 0.33 0.00 0.00 56.93 56.66 2ibo s PHE 71 Cb -0.17 -1.52 -0.01 0.00 -1.31 0.00 0.00 43.02 40.01 2ibo s PHE 71 CO 0.05 -0.04 -0.01 0.00 1.83 0.00 0.00 175.22 177.05 2ibo s ALA 72 N -0.56 0.03 -0.15 11.12 0.00 -1.26 0.50 121.76 131.45 2ibo s ALA 72 Ca 0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 2ibo s ALA 72 Cb -0.11 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2ibo s ALA 72 CO -0.00 -0.07 0.02 -0.80 0.00 0.00 0.00 175.76 174.91 2ibo s ASN 73 N -0.63 5.31 -0.01 0.00 0.02 0.83 -4.96 114.94 115.51 2ibo s ASN 73 Ca -0.07 0.05 0.02 0.00 -1.02 0.00 0.00 52.86 51.85 2ibo s ASN 73 Cb -0.04 -1.79 -0.00 0.00 0.02 0.00 0.00 41.25 39.44 2ibo s ASN 73 CO -0.00 0.24 -0.07 -0.69 0.02 0.00 0.00 177.10 176.60 2ibo s VAL 74 N -0.03 0.53 -0.10 1.60 1.01 -1.26 -0.24 120.40 121.92 2ibo s VAL 74 Ca 0.04 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2ibo s VAL 74 Cb -0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 2ibo s VAL 74 CO 0.02 0.15 -0.21 -0.54 0.00 0.00 0.00 175.10 174.52 2ibo s LYS 75 N -0.14 3.02 -0.04 2.72 1.02 -0.37 -4.95 119.74 121.00 2ibo s LYS 75 Ca 0.02 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.24 2ibo s LYS 75 Cb -0.03 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 2ibo s LYS 75 CO -0.00 0.24 -0.21 0.42 -0.92 0.00 0.00 175.35 174.89 2ibo s ILE 76 N 0.20 1.67 0.04 2.17 1.01 -1.26 -0.77 121.20 124.27 2ibo s ILE 76 Ca -0.13 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 2ibo s ILE 76 Cb -0.16 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 2ibo s ILE 76 CO 0.07 0.47 -0.02 0.21 0.00 0.00 0.00 174.94 175.67 2ibo s ASN 77 N -0.22 0.39 -0.27 3.58 3.84 0.16 -4.97 114.94 117.45 2ibo s ASN 77 Ca 0.01 -0.81 -0.02 0.00 0.21 0.00 0.00 52.86 52.25 2ibo s ASN 77 Cb -0.11 0.17 0.12 0.00 -0.55 0.00 0.00 41.25 40.88 2ibo s ASN 77 CO 0.01 -0.50 0.24 0.68 -2.79 0.00 0.00 177.10 174.74 2ibo s VAL 78 N -3.04 -0.31 0.02 -5.21 -7.23 -1.26 -0.94 120.40 102.43 2ibo s VAL 78 Ca -0.01 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2ibo s VAL 78 Cb 0.02 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 36.05 2ibo s VAL 78 CO -0.07 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 2ibo n GLY 79 N 5.30 -1.76 3.19 2.32 0.00 -1.26 -4.90 105.19 108.09 2ibo n GLY 79 Ca -0.04 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2ibo n GLY 79 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ibo n GLU 80 N -2.12 0.00 0.00 1.61 0.00 -1.26 -4.69 120.64 114.19 2ibo n GLU 80 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2ibo n GLU 80 Cb 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 31.44 31.09 2ibo n GLU 80 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2ibo n ILE 81 N -0.17 0.00 -3.68 6.31 5.41 -1.26 -5.09 119.36 120.88 2ibo n ILE 81 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 2ibo n ILE 81 Cb 0.00 -0.13 -0.08 0.00 -0.71 0.00 0.00 39.64 38.71 2ibo n ILE 81 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2ibo s LEU 82 N 0.00 0.25 0.00 1.39 1.43 -1.26 -4.92 118.68 115.56 2ibo s LEU 82 Ca 0.00 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 2ibo s LEU 82 Cb 0.00 1.71 0.00 0.00 0.03 0.00 0.00 46.19 47.93 2ibo s LEU 82 CO 0.00 -0.40 0.00 -0.24 0.23 0.00 0.00 176.35 175.94 2ibo n SER 83 N 1.67 0.00 -0.02 2.29 2.88 -1.26 -4.79 113.62 114.39 2ibo n SER 83 Ca -0.18 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.24 2ibo n SER 83 Cb 0.56 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.00 1.16 -1.02 2.46 5.03 -2.02 -2.42 117.51 120.71 2ibo h ILE 84 Ca 0.00 -0.49 0.26 0.00 -0.12 0.00 0.00 64.86 64.52 2ibo h ILE 84 Cb 0.00 1.29 -0.07 0.00 -3.03 0.00 0.00 36.82 35.01 2ibo h ILE 84 CO 0.00 0.14 0.68 0.44 -0.68 0.00 0.00 178.15 178.73 2ibo h ASP 85 N 0.00 0.31 -0.97 1.72 5.19 -1.96 -1.75 116.42 118.96 2ibo h ASP 85 Ca 0.03 0.05 0.28 0.00 -0.62 0.00 0.00 57.03 56.78 2ibo h ASP 85 Cb 0.19 -0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.66 2ibo h ASP 85 CO -0.00 0.08 1.20 -0.33 -3.12 0.00 0.00 179.24 177.07 2ibo h GLU 86 N 0.28 0.00 -5.10 3.56 4.39 -1.76 -3.39 114.58 112.57 2ibo h GLU 86 Ca 0.54 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.84 2ibo h GLU 86 Cb 1.58 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.15 2ibo h GLU 86 CO -0.19 0.00 1.69 0.36 -1.16 0.00 0.00 179.01 179.71 2ibo n LYS 87 N -3.21 0.16 0.02 2.33 2.85 -0.66 -4.75 118.16 114.92 2ibo n LYS 87 Ca 0.22 -0.08 -0.01 0.00 -1.05 0.00 0.00 58.31 57.39 2ibo n LYS 87 Cb 1.49 -1.73 -0.00 0.00 -0.65 0.00 0.00 35.03 34.14 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 13.46 -0.05 -3.38 -5.58 -0.00 -1.92 -3.46 115.31 114.39 2ibo h LEU 88 Ca -0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.44 2ibo h LEU 88 Cb 1.21 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.84 2ibo h LEU 88 CO 1.42 -0.03 -0.68 -0.62 -0.00 0.00 0.00 178.44 178.53 2ibo n GLU 89 N -2.19 -0.59 0.00 0.17 -0.58 -1.26 -5.19 120.64 111.00 2ibo n GLU 89 Ca -0.01 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2ibo n GLU 89 Cb 0.02 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 2ibo n GLU 89 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28