#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 -1.37 -0.01 7.82 0.00 0.04 -2.59 121.76 125.65 2ibo s ALA 3 Ca 0.00 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.70 2ibo s ALA 3 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 2ibo s ALA 3 CO 0.00 -0.46 -0.09 0.45 0.00 0.00 0.00 175.76 175.66 2ibo s SER 4 N -1.78 1.03 -0.05 0.00 0.15 -0.15 -1.77 113.70 111.13 2ibo s SER 4 Ca -0.07 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.45 2ibo s SER 4 Cb -0.01 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.20 2ibo s SER 4 CO 0.01 0.11 -0.11 -0.63 1.20 0.00 0.00 173.24 173.81 2ibo s ILE 5 N -0.21 1.04 -0.15 6.45 -1.09 -0.56 -1.07 121.20 125.61 2ibo s ILE 5 Ca 0.03 -0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 57.99 2ibo s ILE 5 Cb -0.03 -0.94 -0.01 0.00 -1.58 0.00 0.00 42.46 39.90 2ibo s ILE 5 CO -0.00 0.32 -0.12 0.00 -1.23 0.00 0.00 174.94 173.91 2ibo s ALA 6 N 0.46 2.64 -0.04 9.38 0.00 -0.03 0.67 121.76 134.84 2ibo s ALA 6 Ca -0.10 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 50.94 2ibo s ALA 6 Cb -0.13 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2ibo s ALA 6 CO 0.02 0.06 -0.21 -1.17 0.00 0.00 0.00 175.76 174.46 2ibo s LEU 7 N 0.66 2.00 -0.07 0.00 2.96 0.20 -1.50 118.68 122.93 2ibo s LEU 7 Ca -0.06 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2ibo s LEU 7 Cb -0.15 -1.15 0.03 0.00 0.50 0.00 0.00 46.19 45.42 2ibo s LEU 7 CO 0.02 0.21 -0.00 -1.58 -1.32 0.00 0.00 176.35 173.68 2ibo s GLN 8 N -0.14 0.61 -0.24 1.98 0.74 -0.84 0.19 119.66 121.95 2ibo s GLN 8 Ca -0.01 0.10 -0.06 0.00 0.05 0.00 0.00 55.36 55.44 2ibo s GLN 8 Cb -0.12 -0.95 -0.02 0.00 1.10 0.00 0.00 33.01 33.02 2ibo s GLN 8 CO 0.02 -0.29 0.03 0.08 -0.55 0.00 0.00 175.29 174.58 2ibo s VAL 9 N 1.90 3.96 -0.56 1.34 1.01 -1.26 -1.48 120.40 125.31 2ibo s VAL 9 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2ibo s VAL 9 Cb -0.12 -2.85 0.14 0.00 0.00 0.00 0.00 36.38 33.55 2ibo s VAL 9 CO -0.05 0.36 0.35 -0.76 0.00 0.00 0.00 175.10 174.99 2ibo s LEU 10 N 1.56 5.06 0.21 3.92 1.43 0.68 -4.96 118.68 126.57 2ibo s LEU 10 Ca 0.06 -2.71 -0.30 0.00 -1.03 0.00 0.00 54.13 50.16 2ibo s LEU 10 Cb -0.15 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 2ibo s LEU 10 CO 0.01 -0.38 1.10 -2.16 0.23 0.00 0.00 176.35 175.16 2ibo s PRO 11 N 0.15 4.60 -1.18 1.29 0.04 -1.26 -2.41 135.00 136.23 2ibo s PRO 11 Ca 0.15 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 2ibo s PRO 11 Cb -0.22 -3.25 0.24 0.00 0.04 0.00 0.00 34.50 31.31 2ibo s PRO 11 CO -0.03 0.11 1.81 1.28 0.04 0.00 0.00 177.00 180.20 2ibo n LEU 12 N 2.06 6.90 -4.04 -3.56 4.77 -0.67 -4.90 117.00 117.57 2ibo n LEU 12 Ca 0.02 -5.01 -0.08 0.00 -0.03 0.00 0.00 56.01 50.92 2ibo n LEU 12 Cb 0.46 -1.34 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 2ibo n LEU 12 CO 0.54 1.70 -0.32 -0.69 -1.33 0.00 0.00 177.39 177.29 2ibo s VAL 13 N -1.73 0.20 0.00 4.08 1.01 -1.26 -4.73 120.40 117.96 2ibo s VAL 13 Ca 0.39 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2ibo s VAL 13 Cb 0.11 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2ibo s VAL 13 CO 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 175.10 174.22 2ibo n GLN 14 N 0.27 3.00 0.00 2.72 3.00 -1.26 -4.61 117.38 120.50 2ibo n GLN 14 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2ibo n GLN 14 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.84 2ibo n GLN 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ibo n GLY 15 N 0.00 0.72 0.36 1.08 0.00 -1.26 -3.70 105.19 102.39 2ibo n GLY 15 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2ibo n GLY 15 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2ibo h ILE 16 N 0.00 0.60 0.00 -0.61 2.10 -2.00 -0.00 117.51 117.60 2ibo h ILE 16 Ca 0.00 -0.21 -0.04 0.00 1.08 0.00 0.00 64.86 65.68 2ibo h ILE 16 Cb 0.00 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 35.66 2ibo h ILE 16 CO 0.00 0.11 -0.21 0.44 -1.08 0.00 0.00 178.15 177.41 2ibo h ASP 17 N 0.62 0.00 0.29 2.19 3.32 -1.93 -3.09 116.42 117.81 2ibo h ASP 17 Ca 0.61 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.32 2ibo h ASP 17 Cb 1.14 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.70 2ibo h ASP 17 CO -0.40 0.21 -1.65 0.08 -1.72 0.00 0.00 179.24 175.76 2ibo h ARG 18 N 0.00 0.37 0.00 3.56 0.11 -1.08 -3.02 114.38 114.32 2ibo h ARG 18 Ca -0.00 -0.63 0.00 0.00 0.10 0.00 0.00 59.98 59.45 2ibo h ARG 18 Cb 0.45 0.23 0.00 0.00 1.11 0.00 0.00 29.97 31.76 2ibo h ARG 18 CO 0.03 1.27 0.00 -0.84 0.10 0.00 0.00 179.97 180.52 2ibo h ILE 19 N 0.10 0.00 0.03 0.08 3.07 -1.43 -1.30 117.51 118.06 2ibo h ILE 19 Ca -0.30 -0.10 -0.20 0.00 1.55 0.00 0.00 64.86 65.81 2ibo h ILE 19 Cb 2.08 0.76 -0.02 0.00 -0.27 0.00 0.00 36.82 39.38 2ibo h ILE 19 CO 0.19 0.00 -1.07 0.00 -1.05 0.00 0.00 178.15 176.22 2ibo h ALA 20 N 2.07 0.20 -0.83 0.16 0.00 -1.57 -2.34 119.26 116.95 2ibo h ALA 20 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 54.91 53.87 2ibo h ALA 20 Cb 0.13 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2ibo h ALA 20 CO 0.00 0.61 0.55 -0.39 0.00 0.00 0.00 179.25 180.02 2ibo h VAL 21 N -0.81 1.21 -0.17 0.00 -1.51 -1.31 0.35 116.25 114.03 2ibo h VAL 21 Ca -0.27 -0.39 -0.02 0.00 -1.23 0.00 0.00 66.70 64.78 2ibo h VAL 21 Cb 1.37 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 2ibo h VAL 21 CO -0.10 0.21 0.01 0.40 -1.23 0.00 0.00 177.57 176.86 2ibo h ILE 22 N 1.13 1.24 -0.78 7.19 2.04 -1.38 0.09 117.51 127.03 2ibo h ILE 22 Ca 0.30 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.42 2ibo h ILE 22 Cb -0.13 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 2ibo h ILE 22 CO -0.07 0.24 0.48 0.44 0.00 0.00 0.00 178.15 179.24 2ibo h ASP 23 N 0.05 0.77 -0.75 1.72 3.45 -0.76 -1.50 116.42 119.40 2ibo h ASP 23 Ca 0.05 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.47 2ibo h ASP 23 Cb 0.35 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.93 2ibo h ASP 23 CO 0.01 0.51 0.28 1.56 -1.57 0.00 0.00 179.24 180.03 2ibo h GLN 24 N 0.91 1.14 -0.37 3.56 1.08 0.01 -0.39 115.11 121.04 2ibo h GLN 24 Ca 0.33 -0.22 -0.12 0.00 -1.45 0.00 0.00 58.65 57.19 2ibo h GLN 24 Cb 0.10 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2ibo h GLN 24 CO -0.15 0.94 -0.28 0.28 -0.95 0.00 0.00 178.83 178.68 2ibo h VAL 25 N 1.09 1.28 0.00 -0.54 2.07 -0.49 -1.32 116.25 118.34 2ibo h VAL 25 Ca 0.25 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2ibo h VAL 25 Cb 0.24 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2ibo h VAL 25 CO -0.02 0.47 -0.00 0.40 0.02 0.00 0.00 177.57 178.44 2ibo h ILE 26 N 0.66 1.25 -0.27 4.57 1.08 -1.00 -1.46 117.51 122.33 2ibo h ILE 26 Ca 0.08 -0.73 0.04 0.00 -0.39 0.00 0.00 64.86 63.86 2ibo h ILE 26 Cb 0.80 1.74 -0.04 0.00 -3.07 0.00 0.00 36.82 36.25 2ibo h ILE 26 CO 0.07 0.19 0.02 0.00 -0.69 0.00 0.00 178.15 177.74 2ibo h ALA 27 N 0.69 0.25 -0.14 1.87 0.00 -1.03 -0.25 119.26 120.65 2ibo h ALA 27 Ca -0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ibo h ALA 27 Cb 0.31 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2ibo h ALA 27 CO 0.00 -0.39 -0.10 -0.92 0.00 0.00 0.00 179.25 177.84 2ibo h TYR 28 N 0.11 -0.25 -0.74 0.00 3.20 -1.21 -2.29 116.97 115.79 2ibo h TYR 28 Ca 0.13 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.11 2ibo h TYR 28 Cb 0.15 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 2ibo h TYR 28 CO -0.19 -0.16 0.39 -0.07 -1.64 0.00 0.00 178.16 176.50 2ibo h LEU 29 N -0.10 0.53 -2.02 2.82 4.07 -0.60 -0.07 115.31 119.93 2ibo h LEU 29 Ca 0.09 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 2ibo h LEU 29 Cb 0.24 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 2ibo h LEU 29 CO -0.21 0.30 -0.04 1.56 -1.08 0.00 0.00 178.44 178.97 2ibo h GLN 30 N 0.66 0.00 -0.15 1.13 4.20 -0.55 -1.87 115.11 118.54 2ibo h GLN 30 Ca 0.36 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.03 2ibo h GLN 30 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2ibo h GLN 30 CO -0.26 0.04 -0.10 1.15 -0.67 0.00 0.00 178.83 178.98 2ibo h THR 31 N 0.00 1.16 -4.29 -0.54 2.02 -0.47 -3.44 112.91 107.35 2ibo h THR 31 Ca -0.00 -0.70 -0.51 0.00 0.77 0.00 0.00 66.41 65.98 2ibo h THR 31 Cb 0.07 1.17 0.09 0.00 -1.74 0.00 0.00 68.15 67.73 2ibo h THR 31 CO 0.00 0.22 0.37 -1.10 0.37 0.00 0.00 175.52 175.38 2ibo s GLN 32 N -4.78 3.05 -1.04 6.66 -1.52 -0.70 -4.93 119.66 116.40 2ibo s GLN 32 Ca -0.05 1.03 -0.04 0.00 -1.95 0.00 0.00 55.36 54.35 2ibo s GLN 32 Cb 0.16 -2.00 0.19 0.00 -0.22 0.00 0.00 33.01 31.13 2ibo s GLN 32 CO 0.73 -1.02 2.27 0.39 -0.25 0.00 0.00 175.29 177.41 2ibo n GLU 33 N -2.79 4.25 -4.53 2.91 1.02 -1.26 -4.91 120.64 115.33 2ibo n GLU 33 Ca 0.08 -3.59 -0.24 0.00 -0.02 0.00 0.00 57.16 53.39 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 -2.60 1.54 0.83 2.62 0.11 -1.26 -5.12 120.40 116.53 2ibo s VAL 34 Ca 0.51 -1.20 -0.11 0.00 -2.93 0.00 0.00 61.98 58.25 2ibo s VAL 34 Cb 0.25 -1.36 0.09 0.00 -1.53 0.00 0.00 36.38 33.83 2ibo s VAL 34 CO -0.16 0.12 1.10 -0.89 -3.33 0.00 0.00 175.10 171.95 2ibo s THR 35 N -0.86 2.90 -0.30 5.04 2.01 -1.21 -4.92 115.64 118.30 2ibo s THR 35 Ca 0.06 0.29 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 2ibo s THR 35 Cb -0.09 -2.66 0.19 0.00 0.01 0.00 0.00 72.50 69.96 2ibo s THR 35 CO 0.02 -0.38 1.20 -0.69 -0.69 0.00 0.00 174.62 174.07 2ibo s VAL 37 N -2.84 -0.07 -0.29 3.82 1.01 0.37 -1.09 120.40 121.32 2ibo s VAL 37 Ca 0.63 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.43 2ibo s VAL 37 Cb -0.19 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2ibo s VAL 37 CO 0.57 0.00 0.52 -0.69 0.00 0.00 0.00 175.10 175.50 2ibo s VAL 38 N 1.54 5.04 0.44 2.92 1.01 -1.26 0.04 120.40 130.12 2ibo s VAL 38 Ca -0.05 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.74 2ibo s VAL 38 Cb -0.02 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2ibo s VAL 38 CO -0.13 -0.01 0.30 0.42 0.00 0.00 0.00 175.10 175.68 2ibo s THR 39 N 2.36 2.32 0.51 3.92 -4.23 -0.57 -4.99 115.64 114.97 2ibo s THR 39 Ca 0.21 -1.52 0.25 0.00 -1.18 0.00 0.00 61.69 59.46 2ibo s THR 39 Cb -0.15 -2.83 0.42 0.00 1.34 0.00 0.00 72.50 71.27 2ibo s THR 39 CO 0.11 0.00 1.94 -0.65 -0.54 0.00 0.00 174.62 175.47 2ibo h PRO 40 N 1.14 0.10 0.00 3.99 0.11 -2.02 -3.22 132.00 132.09 2ibo h PRO 40 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2ibo h PRO 40 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2ibo h PRO 40 CO 0.62 0.06 -0.98 1.19 -0.21 0.00 0.00 178.00 178.69 2ibo n PHE 41 N -4.37 0.00 -3.65 0.65 3.72 -1.26 -5.07 117.46 107.48 2ibo n PHE 41 Ca 0.14 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.42 2ibo n PHE 41 Cb 0.72 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 39.13 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 -2.09 0.97 -0.23 -1.08 -1.05 -1.22 -4.55 118.70 109.45 2ibo s GLU 42 Ca -0.01 -0.47 -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 0.15 -0.35 0.11 0.99 0.95 0.00 0.00 175.26 177.12 2ibo s THR 43 N -2.89 4.92 -0.23 1.83 2.01 0.49 -1.51 115.64 120.27 2ibo s THR 43 Ca -0.03 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 2ibo s THR 43 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2ibo s THR 43 CO -0.05 0.36 0.27 -0.69 -0.69 0.00 0.00 174.62 173.82 2ibo s VAL 44 N 1.10 5.28 0.11 3.82 1.01 0.11 0.63 120.40 132.45 2ibo s VAL 44 Ca 0.06 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.52 2ibo s VAL 44 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2ibo s VAL 44 CO 0.04 0.28 -0.08 -0.76 0.00 0.00 0.00 175.10 174.58 2ibo s LEU 45 N 1.32 3.10 -0.02 3.92 1.43 0.21 -0.48 118.68 128.17 2ibo s LEU 45 Ca 0.12 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2ibo s LEU 45 Cb -0.14 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2ibo s LEU 45 CO 0.07 0.17 0.00 -0.70 0.23 0.00 0.00 176.35 176.12 2ibo s GLU 46 N -2.30 0.16 0.00 1.70 2.12 -0.25 -1.50 118.70 118.63 2ibo s GLU 46 Ca 0.22 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.61 2ibo s GLU 46 Cb -0.11 -0.30 0.00 0.00 0.26 0.00 0.00 34.13 33.98 2ibo s GLU 46 CO 0.15 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 2ibo n GLY 47 N 3.76 -0.56 3.76 -1.50 0.00 -0.73 -3.33 105.19 106.59 2ibo n GLY 47 Ca -0.22 -1.06 -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 -1.74 4.35 0.18 1.61 0.41 -1.26 -0.78 118.70 121.47 2ibo s GLU 48 Ca 0.00 2.21 -0.16 0.00 -0.41 0.00 0.00 54.97 56.62 2ibo s GLU 48 Cb 0.00 -3.09 0.14 0.00 -1.78 0.00 0.00 34.13 29.41 2ibo s GLU 48 CO 0.00 -0.22 1.66 0.35 -0.49 0.00 0.00 175.26 176.56 2ibo h PHE 49 N 3.76 -0.20 -0.41 1.61 3.57 -1.86 -1.88 116.94 121.53 2ibo h PHE 49 Ca -0.48 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.14 2ibo h PHE 49 Cb 1.22 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 40.05 2ibo h PHE 49 CO 0.57 -0.18 -0.05 -0.44 -2.23 0.00 0.00 178.31 175.98 2ibo h ASP 50 N 0.02 -0.27 -0.57 0.41 3.45 -1.99 -2.54 116.42 114.94 2ibo h ASP 50 Ca 0.23 0.11 -0.10 0.00 0.43 0.00 0.00 57.03 57.70 2ibo h ASP 50 Cb 0.35 0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.30 2ibo h ASP 50 CO -0.46 -0.09 -0.02 1.05 -1.57 0.00 0.00 179.24 178.15 2ibo h GLU 51 N 0.05 1.03 -1.69 3.56 4.11 -1.83 -2.37 114.58 117.44 2ibo h GLU 51 Ca 0.20 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2ibo h GLU 51 Cb 0.30 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2ibo h GLU 51 CO -0.37 1.02 0.00 1.28 0.07 0.00 0.00 179.01 181.01 2ibo n LEU 52 N -4.17 0.85 0.00 3.06 4.77 -0.75 -0.11 117.00 120.64 2ibo n LEU 52 Ca 0.03 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 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 0.14 0.00 -1.14 -1.33 0.00 0.00 177.39 175.50 2ibo n ARG 54 N 0.85 0.00 -0.26 3.23 0.63 -0.89 0.28 116.66 120.50 2ibo n ARG 54 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 2ibo n ARG 54 Cb 0.14 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.14 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 -0.11 5.15 2.04 -0.80 -1.68 117.51 123.38 2ibo h ILE 55 Ca 0.00 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.03 2ibo h ILE 55 Cb 0.00 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2ibo h ILE 55 CO 0.00 0.34 0.05 0.25 0.00 0.00 0.00 178.15 178.79 2ibo h LEU 56 N 1.09 0.07 -0.72 1.44 5.85 -0.41 0.21 115.31 122.85 2ibo h LEU 56 Ca 0.25 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2ibo h LEU 56 Cb 0.25 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2ibo h LEU 56 CO -0.02 0.06 0.48 0.50 -0.34 0.00 0.00 178.44 179.12 2ibo h LYS 57 N 0.11 0.94 -0.27 1.25 3.64 -1.73 -1.12 116.57 119.39 2ibo h LYS 57 Ca 0.04 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2ibo h LYS 57 Cb 0.01 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2ibo h LYS 57 CO -0.03 0.62 -0.12 0.93 -2.27 0.00 0.00 179.45 178.58 2ibo h GLU 58 N 0.96 0.55 -0.63 1.90 4.39 -1.00 -1.59 114.58 119.17 2ibo h GLU 58 Ca 0.27 -0.24 0.10 0.00 0.34 0.00 0.00 59.36 59.83 2ibo h GLU 58 Cb -0.09 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.47 2ibo h GLU 58 CO -0.07 0.80 0.25 0.00 -1.16 0.00 0.00 179.01 178.83 2ibo h ALA 59 N 0.74 0.83 -0.41 3.43 0.00 -0.22 0.18 119.26 123.81 2ibo h ALA 59 Ca 0.06 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2ibo h ALA 59 Cb 0.63 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2ibo h ALA 59 CO 0.04 -0.18 -0.20 -0.07 0.00 0.00 0.00 179.25 178.84 2ibo h LEU 60 N 0.43 0.80 -0.97 0.00 3.38 -1.08 -1.50 115.31 116.37 2ibo h LEU 60 Ca 0.32 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2ibo h LEU 60 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2ibo h LEU 60 CO -0.31 0.99 -0.13 -0.33 0.09 0.00 0.00 178.44 178.75 2ibo h GLU 61 N 0.70 0.59 0.12 1.13 5.08 -0.23 0.10 114.58 122.08 2ibo h GLU 61 Ca 0.10 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2ibo h GLU 61 Cb 0.71 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2ibo h GLU 61 CO 0.05 0.71 -0.06 0.28 -1.00 0.00 0.00 179.01 179.00 2ibo h VAL 62 N 0.54 0.98 -0.97 3.13 2.07 -0.37 -2.51 116.25 119.13 2ibo h VAL 62 Ca 0.10 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.25 2ibo h VAL 62 Cb 0.55 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 2ibo h VAL 62 CO 0.03 0.10 0.63 0.00 0.02 0.00 0.00 177.57 178.36 2ibo h ALA 63 N 0.50 1.39 0.00 1.67 0.00 -0.94 -1.79 119.26 120.09 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 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ibo h ALA 63 CO 0.03 0.50 0.00 0.78 0.00 0.00 0.00 179.25 180.55 2ibo h GLY 64 N 1.19 0.00 -4.64 0.00 0.00 -0.64 -2.76 103.07 96.22 2ibo h GLY 64 Ca 0.39 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 47.02 2ibo h GLY 64 CO -0.13 0.00 0.55 -0.18 0.00 0.00 0.00 176.54 176.78 2ibo n GLN 65 N -2.79 2.93 0.00 4.80 7.27 -0.67 -3.92 117.38 125.01 2ibo n GLN 65 Ca 0.00 -3.72 0.00 0.00 0.07 0.00 0.00 57.00 53.35 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 -0.61 0.01 -3.59 3.69 4.07 -1.05 -5.01 120.64 118.16 2ibo n GLU 66 Ca 0.52 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 57.46 2ibo n GLU 66 Cb 0.44 -0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.76 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 -1.44 -0.21 4.31 0.00 -1.16 -4.76 121.76 118.51 2ibo s ALA 67 Ca 0.00 0.92 0.18 0.00 0.00 0.00 0.00 51.96 53.07 2ibo s ALA 67 Cb 0.00 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.26 2ibo s ALA 67 CO 0.00 -0.37 1.20 -0.44 0.00 0.00 0.00 175.76 176.14 2ibo h ASP 68 N 3.16 0.00 -3.65 0.00 5.19 -1.90 -3.42 116.42 115.80 2ibo h ASP 68 Ca -0.28 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.51 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 0.34 -0.79 0.20 -3.12 0.00 0.00 179.24 176.27 2ibo s ASN 69 N -5.98 3.93 -0.11 6.45 0.01 -1.26 -5.10 114.94 112.87 2ibo s ASN 69 Ca 0.01 -1.22 0.03 0.00 -0.71 0.00 0.00 52.86 50.97 2ibo s ASN 69 Cb 0.08 -1.22 0.01 0.00 0.41 0.00 0.00 41.25 40.53 2ibo s ASN 69 CO 0.76 -0.24 -0.21 -0.69 -1.51 0.00 0.00 177.10 175.22 2ibo s VAL 70 N 1.36 1.89 -0.04 1.60 1.01 -1.26 -1.67 120.40 123.29 2ibo s VAL 70 Ca -0.06 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.09 2ibo s VAL 70 Cb -0.19 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2ibo s VAL 70 CO -0.06 0.52 -0.22 0.12 0.00 0.00 0.00 175.10 175.45 2ibo s PHE 71 N 0.67 2.47 0.02 5.22 2.19 -1.01 -4.99 117.98 122.55 2ibo s PHE 71 Ca -0.12 -0.46 0.01 0.00 0.33 0.00 0.00 56.93 56.70 2ibo s PHE 71 Cb -0.16 -1.57 -0.01 0.00 -1.31 0.00 0.00 43.02 39.96 2ibo s PHE 71 CO 0.02 -0.04 -0.05 0.00 1.83 0.00 0.00 175.22 176.98 2ibo s ALA 72 N -0.47 0.34 -0.14 11.12 0.00 -1.26 -0.23 121.76 131.11 2ibo s ALA 72 Ca 0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 2ibo s ALA 72 Cb -0.11 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2ibo s ALA 72 CO 0.01 -0.01 -0.02 -0.80 0.00 0.00 0.00 175.76 174.94 2ibo s ASN 73 N -0.84 4.97 0.00 0.00 0.02 -0.55 -5.00 114.94 113.55 2ibo s ASN 73 Ca -0.06 -0.05 0.03 0.00 -1.02 0.00 0.00 52.86 51.76 2ibo s ASN 73 Cb -0.06 -1.71 -0.01 0.00 0.02 0.00 0.00 41.25 39.49 2ibo s ASN 73 CO -0.00 0.22 -0.09 -0.69 0.02 0.00 0.00 177.10 176.56 2ibo s VAL 74 N 0.08 0.68 -0.10 1.60 1.01 -1.26 -1.99 120.40 120.42 2ibo s VAL 74 Ca 0.01 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2ibo s VAL 74 Cb -0.13 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 2ibo s VAL 74 CO 0.02 0.12 -0.23 -0.54 0.00 0.00 0.00 175.10 174.48 2ibo s LYS 75 N -0.39 3.06 0.02 2.72 1.02 -0.56 -4.95 119.74 120.65 2ibo s LYS 75 Ca 0.02 -0.86 0.08 0.00 0.02 0.00 0.00 55.97 55.23 2ibo s LYS 75 Cb -0.04 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 2ibo s LYS 75 CO -0.00 0.20 -0.24 0.42 -0.92 0.00 0.00 175.35 174.81 2ibo s ILE 76 N 0.31 1.89 -0.16 2.17 1.01 -1.26 -0.85 121.20 124.30 2ibo s ILE 76 Ca -0.17 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.28 2ibo s ILE 76 Cb -0.17 -1.60 0.06 0.00 0.01 0.00 0.00 42.46 40.75 2ibo s ILE 76 CO 0.08 0.40 0.06 0.21 0.00 0.00 0.00 174.94 175.70 2ibo s ASN 77 N -0.90 2.42 0.19 3.58 2.47 -0.23 -4.99 114.94 117.48 2ibo s ASN 77 Ca 0.09 -0.61 0.10 0.00 0.42 0.00 0.00 52.86 52.87 2ibo s ASN 77 Cb -0.09 -0.38 -0.04 0.00 -1.45 0.00 0.00 41.25 39.29 2ibo s ASN 77 CO 0.01 -0.32 -0.21 0.68 -3.72 0.00 0.00 177.10 173.54 2ibo s VAL 78 N 2.03 2.12 0.00 -5.21 -7.23 -1.26 -0.98 120.40 109.87 2ibo s VAL 78 Ca 0.01 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2ibo s VAL 78 Cb -0.16 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2ibo s VAL 78 CO -0.08 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 2ibo n GLY 79 N 0.19 -0.33 3.44 2.32 0.00 -1.07 -4.72 105.19 105.02 2ibo n GLY 79 Ca -0.12 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 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 2.75 -3.81 1.61 -0.58 -1.26 -4.48 120.64 114.88 2ibo n GLU 80 Ca 0.00 -2.96 -0.31 0.00 -0.42 0.00 0.00 57.16 53.47 2ibo n GLU 80 Cb 0.00 -3.49 -0.04 0.00 -0.57 0.00 0.00 31.44 27.34 2ibo n GLU 80 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2ibo s ILE 81 N 5.50 5.29 0.49 -3.67 -5.25 -1.26 -5.09 121.20 117.20 2ibo s ILE 81 Ca 0.56 -0.23 -0.19 0.00 -0.99 0.00 0.00 60.65 59.80 2ibo s ILE 81 Cb 0.05 -3.64 -0.08 0.00 2.95 0.00 0.00 42.46 41.74 2ibo s ILE 81 CO 0.07 0.07 1.01 -0.76 -1.79 0.00 0.00 174.94 173.54 2ibo s LEU 82 N -2.64 3.79 0.81 0.37 1.02 -1.26 -5.04 118.68 115.73 2ibo s LEU 82 Ca 0.38 1.78 -0.12 0.00 0.02 0.00 0.00 54.13 56.19 2ibo s LEU 82 Cb -0.12 -4.54 0.08 0.00 0.02 0.00 0.00 46.19 41.62 2ibo s LEU 82 CO 0.27 -0.68 1.16 -0.94 0.02 0.00 0.00 176.35 176.18 2ibo s SER 83 N -2.34 4.46 0.23 2.29 1.04 -1.26 -4.72 113.70 113.39 2ibo s SER 83 Ca 0.64 0.87 -0.07 0.00 0.48 0.00 0.00 55.95 57.87 2ibo s SER 83 Cb -0.13 -1.42 0.32 0.00 0.10 0.00 0.00 66.02 64.88 2ibo s SER 83 CO 0.22 -1.94 1.81 0.40 0.98 0.00 0.00 173.24 174.71 2ibo h ILE 84 N -1.08 0.94 -0.79 -1.02 2.04 -1.99 0.14 117.51 115.75 2ibo h ILE 84 Ca -0.47 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 2ibo h ILE 84 Cb 1.32 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 2ibo h ILE 84 CO 0.65 0.13 0.48 0.44 0.00 0.00 0.00 178.15 179.85 2ibo h ASP 85 N 0.74 0.95 -0.13 1.72 5.19 -1.98 -1.60 116.42 121.31 2ibo h ASP 85 Ca 0.35 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.63 2ibo h ASP 85 Cb 0.27 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 2ibo h ASP 85 CO -0.22 0.74 -0.15 -0.33 -3.12 0.00 0.00 179.24 176.16 2ibo h GLU 86 N 1.09 0.33 -0.18 3.56 5.08 -1.59 -3.10 114.58 119.76 2ibo h GLU 86 Ca 0.28 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2ibo h GLU 86 Cb -0.04 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2ibo h GLU 86 CO -0.05 0.74 -0.02 0.87 -1.00 0.00 0.00 179.01 179.55 2ibo h LYS 87 N -0.07 0.04 0.00 2.33 1.57 -0.71 -0.31 116.57 119.43 2ibo h LYS 87 Ca 0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2ibo h LYS 87 Cb 0.69 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2ibo h LYS 87 CO 0.04 0.02 0.04 1.28 -0.57 0.00 0.00 179.45 180.26 2ibo n LEU 88 N -5.15 0.00 -3.17 2.94 4.77 -0.61 -1.42 117.00 114.36 2ibo n LEU 88 Ca -0.03 0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 55.93 2ibo n LEU 88 Cb 0.11 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2ibo n LEU 88 CO 0.26 -0.29 0.48 -0.62 -1.33 0.00 0.00 177.39 175.89 2ibo n GLU 89 N -1.27 3.76 0.00 3.23 -0.58 -0.12 -5.08 120.64 120.58 2ibo n GLU 89 Ca 0.00 -4.80 0.00 0.00 -0.42 0.00 0.00 57.16 51.94 2ibo n GLU 89 Cb 0.04 -2.30 0.00 0.00 -0.57 0.00 0.00 31.44 28.60 2ibo n GLU 89 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28