#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9h s GLY 44 N 0.00 -0.21 0.00 -5.12 0.00 -1.26 -5.03 107.32 95.69 2k9h s GLY 44 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.94 2k9h s GLY 44 CO 0.00 0.83 0.98 -1.14 0.00 0.00 0.00 173.10 173.77 2k9h n SER 45 N -0.66 0.00 -0.17 1.64 3.41 -1.26 -2.35 113.62 114.23 2k9h n SER 45 Ca -0.06 0.39 0.06 0.00 -0.26 0.00 0.00 58.87 59.00 2k9h n SER 45 Cb 0.61 -0.40 0.08 0.00 -0.26 0.00 0.00 64.21 64.23 2k9h n SER 45 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2k9h n MET 46 N -1.40 1.08 -5.10 4.33 1.56 -1.26 -4.84 117.12 111.48 2k9h n MET 46 Ca 0.01 -1.92 -0.29 0.00 -0.27 0.00 0.00 57.70 55.23 2k9h n MET 46 Cb 0.02 -1.12 -0.16 0.00 2.15 0.00 0.00 33.22 34.11 2k9h n MET 46 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2k9h s VAL 47 N -1.74 1.78 0.45 1.12 1.01 -0.99 -3.62 120.40 118.41 2k9h s VAL 47 Ca 0.18 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 2k9h s VAL 47 Cb 0.16 -1.49 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 2k9h s VAL 47 CO 0.02 0.50 1.22 0.00 0.00 0.00 0.00 175.10 176.84 2k9h h ASP 49 N 2.23 0.00 0.00 0.00 3.32 -1.92 -3.03 116.42 117.03 2k9h h ASP 49 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2k9h h ASP 49 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2k9h h ASP 49 CO 0.61 0.00 -0.23 0.52 -1.72 0.00 0.00 179.24 178.42 2k9h n VAL 50 N -2.40 0.83 1.13 -1.35 0.31 -1.26 -4.79 118.33 110.80 2k9h n VAL 50 Ca 0.03 0.26 0.14 0.00 -0.01 0.00 0.00 64.34 64.76 2k9h n VAL 50 Cb 0.28 -1.61 0.64 0.00 -0.91 0.00 0.00 33.84 32.25 2k9h n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k9h n HIS 52 N -1.43 -1.15 -3.87 0.00 -0.00 -1.15 -4.66 115.22 102.96 2k9h n HIS 52 Ca 0.09 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.06 2k9h n HIS 52 Cb 0.31 -2.83 -0.03 0.00 -0.12 0.00 0.00 29.99 27.32 2k9h n HIS 52 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k9h s HIS 53 N -2.55 3.06 0.78 1.57 5.65 -1.26 -4.73 115.29 117.81 2k9h s HIS 53 Ca 0.00 -0.20 -0.12 0.00 0.25 0.00 0.00 55.06 55.00 2k9h s HIS 53 Cb 0.00 -1.68 0.06 0.00 -1.18 0.00 0.00 32.58 29.78 2k9h s HIS 53 CO 0.00 0.29 1.12 -1.83 -0.65 0.00 0.00 174.74 173.67 2k9h s GLU 54 N -3.97 2.26 0.13 2.88 -1.05 -1.26 -1.36 118.70 116.33 2k9h s GLU 54 Ca 0.38 0.38 0.02 0.00 -0.15 0.00 0.00 54.97 55.61 2k9h s GLU 54 Cb -0.07 -1.96 -0.04 0.00 -0.44 0.00 0.00 34.13 31.61 2k9h s GLU 54 CO 0.27 -1.44 -0.04 0.00 0.95 0.00 0.00 175.26 175.00 2k9h h GLU 56 N 2.83 0.00 -4.11 0.00 4.39 -1.91 -3.45 114.58 112.33 2k9h h GLU 56 Ca -0.36 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.22 2k9h h GLU 56 Cb 1.18 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.67 2k9h h GLU 56 CO 0.64 0.25 -0.64 0.95 -1.16 0.00 0.00 179.01 179.05 2k9h s THR 57 N -4.46 0.19 -0.59 1.13 -4.23 -1.26 -5.05 115.64 101.37 2k9h s THR 57 Ca -0.03 -1.54 0.23 0.00 -1.18 0.00 0.00 61.69 59.17 2k9h s THR 57 Cb 0.15 -1.24 0.24 0.00 1.34 0.00 0.00 72.50 72.99 2k9h s THR 57 CO 0.70 -0.85 1.70 0.00 -0.54 0.00 0.00 174.62 175.64 2k9h n ALA 58 N 0.39 1.78 0.01 3.99 0.00 -1.26 -2.63 120.51 122.80 2k9h n ALA 58 Ca -0.16 0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 2k9h n ALA 58 Cb 0.60 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 2k9h n ALA 58 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k9h h LYS 59 N 0.00 0.26 0.00 0.00 1.63 -1.96 -3.35 116.57 113.15 2k9h h LYS 59 Ca 0.00 -0.44 -0.04 0.00 -0.85 0.00 0.00 60.65 59.31 2k9h h LYS 59 Cb 0.42 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 2k9h h LYS 59 CO 0.00 1.21 -0.20 0.93 -3.45 0.00 0.00 179.45 177.95 2k9h h GLU 60 N -0.13 0.00 -0.78 1.90 3.07 -1.91 -3.11 114.58 113.62 2k9h h GLU 60 Ca -0.37 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 58.64 2k9h h GLU 60 Cb 1.90 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.76 2k9h h GLU 60 CO 0.07 0.20 0.52 1.25 -1.40 0.00 0.00 179.01 179.64 2k9h h LEU 61 N 0.00 0.44 -0.94 1.33 5.85 -1.64 0.01 115.31 120.36 2k9h h LEU 61 Ca -0.00 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2k9h h LEU 61 Cb 0.68 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2k9h h LEU 61 CO 0.03 0.23 -0.43 -0.08 -0.34 0.00 0.00 178.44 177.85 2k9h h GLU 62 N 0.47 0.20 0.11 1.25 4.81 -1.73 -2.82 114.58 116.88 2k9h h GLU 62 Ca 0.38 -0.10 -0.27 0.00 -0.13 0.00 0.00 59.36 59.25 2k9h h GLU 62 Cb 0.81 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2k9h h GLU 62 CO -0.13 0.60 -1.20 0.77 -0.73 0.00 0.00 179.01 178.32 2k9h h SER 63 N 0.17 0.43 0.20 1.04 0.02 -1.34 -3.29 113.55 110.78 2k9h h SER 63 Ca 0.01 -0.44 0.01 0.00 -0.84 0.00 0.00 61.79 60.53 2k9h h SER 63 Cb 0.84 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 2k9h h SER 63 CO 0.07 1.33 -0.51 -0.74 -1.14 0.00 0.00 176.83 175.83 2k9h h HIS 64 N 0.09 -1.47 -0.81 3.45 6.17 -0.89 -2.49 115.15 119.19 2k9h h HIS 64 Ca -0.13 0.03 0.09 0.00 0.71 0.00 0.00 60.37 61.08 2k9h h HIS 64 Cb 1.92 0.62 -0.06 0.00 2.52 0.00 0.00 27.41 32.41 2k9h h HIS 64 CO 0.06 -0.61 0.53 0.07 0.71 0.00 0.00 177.93 178.70 2k9h h ARG 65 N -0.80 0.75 0.00 5.26 0.11 -1.65 -0.66 114.38 117.39 2k9h h ARG 65 Ca -0.01 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2k9h h ARG 65 Cb 0.78 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.69 2k9h h ARG 65 CO -0.24 0.49 0.00 1.96 0.10 0.00 0.00 179.97 182.29 2k9h h GLN 66 N 0.77 0.00 0.07 0.08 1.08 -1.54 -1.91 115.11 113.66 2k9h h GLN 66 Ca 0.37 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 57.20 2k9h h GLN 66 Cb 0.43 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 2k9h h GLN 66 CO -0.15 0.00 -2.14 0.43 -0.95 0.00 0.00 178.83 176.02 2k9h n SER 67 N -3.07 2.06 -0.26 1.46 7.64 -0.63 -4.37 113.62 116.44 2k9h n SER 67 Ca 0.01 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2k9h n SER 67 Cb 0.30 -0.72 0.13 0.00 -1.01 0.00 0.00 64.21 62.91 2k9h n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9h h ILE 69 N 0.74 0.00 -0.24 0.00 6.09 -1.55 -0.24 117.51 122.31 2k9h h ILE 69 Ca 0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.83 2k9h h ILE 69 Cb 0.25 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.46 2k9h h ILE 69 CO -0.21 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.46 2k9h n ASN 70 N -2.99 2.66 -0.58 2.19 3.02 -0.59 -4.95 115.26 114.02 2k9h n ASN 70 Ca -0.03 -1.80 -0.08 0.00 -0.03 0.00 0.00 54.58 52.64 2k9h n ASN 70 Cb 0.11 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 2k9h n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k9h n GLY 71 N 0.71 0.97 3.51 7.41 0.00 -0.10 -4.81 105.19 112.87 2k9h n GLY 71 Ca 0.11 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 2k9h n GLY 71 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k9h s GLN 72 N -2.64 1.84 0.11 1.61 0.74 -0.34 -0.75 119.66 120.23 2k9h s GLN 72 Ca 0.00 -1.41 -0.27 0.00 0.05 0.00 0.00 55.36 53.73 2k9h s GLN 72 Cb 0.00 -2.01 -0.07 0.00 1.10 0.00 0.00 33.01 32.03 2k9h s GLN 72 CO 0.00 0.41 0.83 0.00 -0.55 0.00 0.00 175.29 175.98 2k9h n PRO 74 N 2.35 0.11 0.00 0.00 -0.04 -1.26 -3.37 135.00 132.80 2k9h n PRO 74 Ca -0.02 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2k9h n PRO 74 Cb 0.49 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 2k9h n PRO 74 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2k9h n TYR 75 N -2.01 0.00 1.34 0.54 4.02 -1.26 -4.83 117.16 114.96 2k9h n TYR 75 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.04 2k9h n TYR 75 Cb 0.11 0.12 0.67 0.00 -0.02 0.00 0.00 39.34 40.22 2k9h n TYR 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k9h n MET 77 N -1.23 -1.58 -1.72 0.00 2.81 -1.22 -4.99 117.12 109.20 2k9h n MET 77 Ca 0.13 0.40 -0.41 0.00 -1.81 0.00 0.00 57.70 56.01 2k9h n MET 77 Cb 0.27 -4.86 0.01 0.00 -0.71 0.00 0.00 33.22 27.93 2k9h n MET 77 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2k9h n THR 78 N -2.02 2.61 -5.29 2.03 -1.04 -1.26 -4.62 114.28 104.68 2k9h n THR 78 Ca 0.00 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.20 2k9h n THR 78 Cb 0.40 -1.65 -0.16 0.00 -1.82 0.00 0.00 70.33 67.09 2k9h n THR 78 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2k9h s ILE 79 N -1.19 2.03 0.00 12.58 1.01 -1.26 -1.43 121.20 132.93 2k9h s ILE 79 Ca 0.61 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2k9h s ILE 79 Cb -0.49 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2k9h s ILE 79 CO 0.58 0.57 0.00 1.07 0.00 0.00 0.00 174.94 177.16 2k9h n THR 80 N 2.45 0.00 -2.09 2.92 5.66 0.08 -5.01 114.28 118.29 2k9h n THR 80 Ca -0.16 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.45 2k9h n THR 80 Cb 0.51 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.29 2k9h n THR 80 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k9h s GLU 81 N -1.77 3.94 0.00 1.09 2.02 -1.26 -4.52 118.70 118.20 2k9h s GLU 81 Ca 0.00 2.10 -0.01 0.00 0.02 0.00 0.00 54.97 57.08 2k9h s GLU 81 Cb 0.00 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 2k9h s GLU 81 CO 0.00 -0.50 2.08 0.00 0.02 0.00 0.00 175.26 176.86 2k9h n ALA 82 N 0.05 4.13 -2.40 5.21 0.00 -1.26 -4.28 120.51 121.96 2k9h n ALA 82 Ca 0.04 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.92 2k9h n ALA 82 Cb 0.44 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 2k9h n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2k9h s THR 83 N 0.33 2.34 0.36 0.00 -4.23 -1.26 -4.86 115.64 108.32 2k9h s THR 83 Ca 0.10 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 2k9h s THR 83 Cb 0.05 -2.03 0.27 0.00 1.34 0.00 0.00 72.50 72.13 2k9h s THR 83 CO 0.00 0.13 2.00 1.05 -0.54 0.00 0.00 174.62 177.26 2k9h h GLU 84 N 3.98 0.77 -0.76 3.99 4.11 -1.88 -1.35 114.58 123.44 2k9h h GLU 84 Ca -0.50 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 58.86 2k9h h GLU 84 Cb 1.17 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 2k9h h GLU 84 CO 0.41 0.51 0.40 0.77 0.07 0.00 0.00 179.01 181.16 2k9h h SER 85 N 0.79 0.96 0.10 3.06 0.02 -1.94 0.50 113.55 117.03 2k9h h SER 85 Ca 0.25 -0.11 -0.24 0.00 -0.84 0.00 0.00 61.79 60.85 2k9h h SER 85 Cb 0.04 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 62.36 2k9h h SER 85 CO -0.07 0.79 -1.00 0.00 -1.14 0.00 0.00 176.83 175.41 2k9h h ALA 86 N 1.21 -0.01 -0.50 3.77 0.00 -1.76 -3.05 119.26 118.92 2k9h h ALA 86 Ca 0.26 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2k9h h ALA 86 Cb 0.06 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k9h h ALA 86 CO -0.04 0.54 0.03 -0.07 0.00 0.00 0.00 179.25 179.71 2k9h h LEU 87 N 0.04 0.83 -0.91 0.00 3.38 -1.20 -2.51 115.31 114.96 2k9h h LEU 87 Ca -0.15 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2k9h h LEU 87 Cb 1.72 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.20 2k9h h LEU 87 CO 0.19 0.92 0.55 1.56 0.09 0.00 0.00 178.44 181.75 2k9h h GLN 88 N 0.72 1.23 -0.69 1.13 4.20 -1.01 -0.33 115.11 120.35 2k9h h GLN 88 Ca 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2k9h h GLN 88 Cb 0.47 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 2k9h h GLN 88 CO 0.02 0.85 0.41 0.00 -0.67 0.00 0.00 178.83 179.44 2k9h h ALA 89 N 1.30 1.42 0.18 3.87 0.00 -1.39 -0.71 119.26 123.93 2k9h h ALA 89 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2k9h h ALA 89 Cb -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2k9h h ALA 89 CO -0.06 0.50 -0.09 1.25 0.00 0.00 0.00 179.25 180.85 2k9h h HIS 90 N 0.95 -0.22 0.00 0.00 -0.00 -0.97 -3.30 115.15 111.61 2k9h h HIS 90 Ca 0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 2k9h h HIS 90 Cb -0.03 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 2k9h h HIS 90 CO 0.00 0.20 0.00 1.88 -0.00 0.00 0.00 177.93 180.01 2k9h h TYR 91 N -0.80 0.00 0.00 5.26 0.05 -0.98 -1.48 116.97 119.02 2k9h h TYR 91 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2k9h h TYR 91 Cb 0.52 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.26 2k9h h TYR 91 CO 0.07 0.00 -0.00 0.77 -1.05 0.00 0.00 178.16 177.95 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.20 -3.09 113.55 113.16 2k9h h SER 92 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k9h h SER 92 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2k9h h SER 92 CO 0.00 0.00 0.00 2.30 -1.14 0.00 0.00 176.83 177.99 2k9h n ILE 93 N -3.10 0.14 -4.81 3.27 -5.35 -0.61 -5.04 119.36 103.86 2k9h n ILE 93 Ca -0.02 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 61.66 2k9h n ILE 93 Cb 0.17 1.05 -0.17 0.00 -1.74 0.00 0.00 39.64 38.95 2k9h n ILE 93 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k9h n LYS 95 N 3.88 1.04 0.15 0.00 4.76 -1.26 -4.71 118.16 122.01 2k9h n LYS 95 Ca -0.20 -0.84 0.12 0.00 -2.87 0.00 0.00 58.31 54.52 2k9h n LYS 95 Cb 0.52 -0.79 0.54 0.00 -1.84 0.00 0.00 35.03 33.46 2k9h n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k9h n LEU 96 N -0.20 0.66 0.21 -0.35 4.77 -1.26 -3.69 117.00 117.14 2k9h n LEU 96 Ca 0.00 0.71 0.05 0.00 -0.03 0.00 0.00 56.01 56.74 2k9h n LEU 96 Cb 0.28 -0.67 0.27 0.00 -2.33 0.00 0.00 43.42 40.96 2k9h n LEU 96 CO 0.00 -0.71 0.86 0.71 -1.33 0.00 0.00 177.39 176.92 2k9h h THR 97 N 0.00 0.00 0.00 -5.08 1.35 -1.96 -2.30 112.91 104.93 2k9h h THR 97 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.72 2k9h h THR 97 Cb 0.24 0.22 -0.13 0.00 -1.73 0.00 0.00 68.15 66.74 2k9h h THR 97 CO 0.00 0.00 -0.27 0.61 -0.25 0.00 0.00 175.52 175.61 2k9h n GLY 98 N -1.29 1.17 0.00 5.82 0.00 -1.24 -4.75 105.19 104.89 2k9h n GLY 98 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2k9h n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86