#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 0.60 0.65 -5.12 0.00 -1.26 -5.06 107.32 97.13 2k9h s GLY 44 Ca 0.00 -0.92 0.32 0.00 0.00 0.00 0.00 44.72 44.12 2k9h s GLY 44 CO 0.00 -0.44 2.02 1.48 0.00 0.00 0.00 173.10 176.16 2k9h h SER 45 N 2.01 0.00 -0.07 1.64 4.64 -2.03 -1.45 113.55 118.30 2k9h h SER 45 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2k9h h SER 45 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2k9h h SER 45 CO 0.42 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 177.18 2k9h n MET 46 N -3.14 1.73 -3.75 4.77 1.56 -1.26 -4.89 117.12 112.14 2k9h n MET 46 Ca -0.01 -1.08 -0.35 0.00 -0.27 0.00 0.00 57.70 56.00 2k9h n MET 46 Cb 0.35 -1.46 -0.08 0.00 2.15 0.00 0.00 33.22 34.19 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 -1.93 5.42 0.53 1.12 1.01 -0.55 -4.17 120.40 121.83 2k9h s VAL 47 Ca 0.36 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 2k9h s VAL 47 Cb 0.20 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2k9h s VAL 47 CO 0.31 0.46 1.32 0.00 0.00 0.00 0.00 175.10 177.20 2k9h h ASP 49 N 1.60 0.00 0.00 0.00 3.32 -1.94 -3.14 116.42 116.26 2k9h h ASP 49 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2k9h h ASP 49 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2k9h h ASP 49 CO 0.58 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.62 2k9h n VAL 50 N -2.46 0.00 0.85 -1.35 0.31 -1.26 -4.80 118.33 109.62 2k9h n VAL 50 Ca 0.02 0.11 0.08 0.00 -0.01 0.00 0.00 64.34 64.54 2k9h n VAL 50 Cb 0.26 -1.00 0.43 0.00 -0.91 0.00 0.00 33.84 32.63 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 -1.20 -1.66 -4.56 0.00 -0.00 -1.19 -4.75 115.22 101.86 2k9h n HIS 52 Ca 0.09 0.74 -0.26 0.00 -0.00 0.00 0.00 57.72 58.30 2k9h n HIS 52 Cb 0.11 -2.72 -0.11 0.00 -0.00 0.00 0.00 29.99 27.26 2k9h n HIS 52 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k9h s HIS 53 N -3.22 2.36 0.64 4.41 5.65 -1.26 -4.81 115.29 119.06 2k9h s HIS 53 Ca 0.73 -0.67 -0.05 0.00 0.25 0.00 0.00 55.06 55.31 2k9h s HIS 53 Cb -0.40 -1.55 0.04 0.00 -1.18 0.00 0.00 32.58 29.48 2k9h s HIS 53 CO 0.90 0.40 0.94 -2.00 -0.65 0.00 0.00 174.74 174.33 2k9h s GLU 54 N -3.71 2.52 0.34 2.88 2.12 -1.26 -1.17 118.70 120.41 2k9h s GLU 54 Ca 0.34 -0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.48 2k9h s GLU 54 Cb 0.07 -2.25 -0.05 0.00 0.26 0.00 0.00 34.13 32.16 2k9h s GLU 54 CO 0.17 -0.96 0.07 0.00 -0.54 0.00 0.00 175.26 174.00 2k9h h GLU 56 N 2.06 0.88 -4.09 0.00 4.57 -1.95 -3.44 114.58 112.61 2k9h h GLU 56 Ca -0.40 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 57.61 2k9h h GLU 56 Cb 1.25 -0.20 -0.14 0.00 -0.16 0.00 0.00 28.75 29.50 2k9h h GLU 56 CO 0.67 0.58 -0.50 0.95 -1.18 0.00 0.00 179.01 179.53 2k9h s THR 57 N -5.85 0.13 -0.80 0.32 -4.23 -1.26 -5.05 115.64 98.90 2k9h s THR 57 Ca -0.11 -1.57 0.17 0.00 -1.18 0.00 0.00 61.69 59.00 2k9h s THR 57 Cb 0.22 -1.72 0.16 0.00 1.34 0.00 0.00 72.50 72.50 2k9h s THR 57 CO 0.80 -0.57 1.54 0.00 -0.54 0.00 0.00 174.62 175.85 2k9h n ALA 58 N -0.08 1.63 -0.07 3.99 0.00 -1.26 -2.76 120.51 121.96 2k9h n ALA 58 Ca -0.10 0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 2k9h n ALA 58 Cb 0.63 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 2k9h n ALA 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k9h n LYS 59 N -1.78 0.67 0.31 0.00 4.81 -1.26 -4.18 118.16 116.72 2k9h n LYS 59 Ca 0.03 0.30 0.20 0.00 -0.87 0.00 0.00 58.31 57.97 2k9h n LYS 59 Cb 0.18 -1.64 1.00 0.00 0.02 0.00 0.00 35.03 34.60 2k9h n LYS 59 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2k9h h GLU 60 N -0.34 0.00 -0.58 1.64 4.39 -1.93 -2.48 114.58 115.28 2k9h h GLU 60 Ca -0.49 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.37 2k9h h GLU 60 Cb 1.78 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.41 2k9h h GLU 60 CO -0.10 0.01 0.41 1.25 -1.16 0.00 0.00 179.01 179.43 2k9h h LEU 61 N 0.00 0.02 -0.89 1.33 5.85 -1.68 -1.10 115.31 118.84 2k9h h LEU 61 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2k9h h LEU 61 Cb 0.19 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2k9h h LEU 61 CO 0.00 0.01 0.05 -0.08 -0.34 0.00 0.00 178.44 178.09 2k9h h GLU 62 N 0.02 0.87 -0.08 1.25 4.57 -1.68 -1.26 114.58 118.28 2k9h h GLU 62 Ca 0.27 -0.22 -0.20 0.00 -1.18 0.00 0.00 59.36 58.04 2k9h h GLU 62 Cb 1.07 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2k9h h GLU 62 CO -0.01 0.84 -0.77 1.03 -1.18 0.00 0.00 179.01 178.91 2k9h h SER 63 N 0.82 0.57 0.73 1.04 0.87 -1.43 -3.18 113.55 112.97 2k9h h SER 63 Ca 0.16 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 2k9h h SER 63 Cb 0.42 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2k9h h SER 63 CO 0.01 1.15 -0.49 -0.74 -0.53 0.00 0.00 176.83 176.23 2k9h h HIS 64 N 0.31 -1.33 -0.81 2.24 -0.00 -0.99 -2.14 115.15 112.43 2k9h h HIS 64 Ca -0.04 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.38 2k9h h HIS 64 Cb 1.37 0.48 -0.05 0.00 -0.00 0.00 0.00 27.41 29.21 2k9h h HIS 64 CO 0.05 -0.72 0.53 0.07 -0.00 0.00 0.00 177.93 177.87 2k9h h ARG 65 N -1.16 0.89 0.00 5.26 0.11 -1.35 -0.35 114.38 117.78 2k9h h ARG 65 Ca -0.10 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.91 2k9h h ARG 65 Cb 0.94 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 31.82 2k9h h ARG 65 CO 0.07 0.59 -0.11 1.96 0.10 0.00 0.00 179.97 182.58 2k9h h GLN 66 N 0.92 0.00 0.07 0.08 4.20 -1.52 -2.74 115.11 116.12 2k9h h GLN 66 Ca 0.34 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.85 2k9h h GLN 66 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2k9h h GLN 66 CO -0.12 0.11 -1.05 0.77 -0.67 0.00 0.00 178.83 177.88 2k9h h SER 67 N 0.00 0.24 -0.55 1.46 0.02 -0.52 -3.38 113.55 110.83 2k9h h SER 67 Ca -0.00 -0.82 0.10 0.00 -0.84 0.00 0.00 61.79 60.23 2k9h h SER 67 Cb 0.63 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.01 2k9h h SER 67 CO 0.01 1.45 0.06 0.00 -1.14 0.00 0.00 176.83 177.22 2k9h h ILE 69 N 0.18 0.00 -0.22 0.00 6.09 -1.67 -0.81 117.51 121.07 2k9h h ILE 69 Ca 0.28 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.77 2k9h h ILE 69 Cb 0.42 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.60 2k9h h ILE 69 CO -0.41 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.26 2k9h n ASN 70 N -2.94 2.55 -0.15 2.19 3.02 -0.52 -4.94 115.26 114.47 2k9h n ASN 70 Ca -0.03 -1.81 -0.02 0.00 -0.03 0.00 0.00 54.58 52.69 2k9h n ASN 70 Cb 0.11 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.52 0.53 3.95 7.41 0.00 -0.31 -4.84 105.19 112.45 2k9h n GLY 71 Ca 0.09 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.21 3.45 -0.15 1.61 0.74 -0.10 -0.72 119.66 123.29 2k9h s GLN 72 Ca 0.00 -0.64 -0.05 0.00 0.05 0.00 0.00 55.36 54.72 2k9h s GLN 72 Cb 0.00 -2.91 -0.04 0.00 1.10 0.00 0.00 33.01 31.16 2k9h s GLN 72 CO 0.00 0.46 0.04 0.00 -0.55 0.00 0.00 175.29 175.24 2k9h s PRO 74 N -0.13 2.22 0.00 0.00 0.04 -1.26 -1.98 135.00 133.89 2k9h s PRO 74 Ca 0.06 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2k9h s PRO 74 Cb -0.12 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2k9h s PRO 74 CO 0.01 -1.74 0.00 0.66 0.04 0.00 0.00 177.00 175.98 2k9h n TYR 75 N -2.85 0.00 0.00 0.56 4.01 -1.26 -4.00 117.16 113.62 2k9h n TYR 75 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2k9h n TYR 75 Cb 0.51 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 2k9h n TYR 75 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k9h n MET 77 N -1.21 -1.47 -1.97 0.00 2.81 -0.84 -4.98 117.12 109.47 2k9h n MET 77 Ca 0.00 0.86 -0.41 0.00 -1.81 0.00 0.00 57.70 56.35 2k9h n MET 77 Cb 0.00 -5.21 -0.01 0.00 -0.71 0.00 0.00 33.22 27.29 2k9h n MET 77 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2k9h s THR 78 N -2.37 2.41 -0.11 2.03 2.01 -1.26 -4.73 115.64 113.63 2k9h s THR 78 Ca 0.00 0.41 -0.00 0.00 0.31 0.00 0.00 61.69 62.41 2k9h s THR 78 Cb 0.00 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 2k9h s THR 78 CO 0.00 0.10 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.31 2k9h s ILE 79 N -1.14 3.51 0.18 1.82 -1.09 -1.26 -1.72 121.20 121.50 2k9h s ILE 79 Ca 0.51 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 2k9h s ILE 79 Cb -0.43 -2.47 -0.00 0.00 -1.58 0.00 0.00 42.46 37.98 2k9h s ILE 79 CO 0.57 0.55 0.22 0.35 -1.23 0.00 0.00 174.94 175.40 2k9h n THR 80 N 2.92 0.00 -2.26 2.92 -2.24 0.10 -5.02 114.28 110.70 2k9h n THR 80 Ca -0.18 -1.08 -0.37 0.00 -2.27 0.00 0.00 64.05 60.15 2k9h n THR 80 Cb 0.53 0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 2k9h n THR 80 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k9h s GLU 81 N -2.53 3.80 0.00 -0.78 0.41 -1.26 -4.46 118.70 113.88 2k9h s GLU 81 Ca 0.18 1.79 -0.00 0.00 -0.41 0.00 0.00 54.97 56.52 2k9h s GLU 81 Cb 0.00 -2.45 -0.01 0.00 -1.78 0.00 0.00 34.13 29.89 2k9h s GLU 81 CO 0.13 -0.52 1.67 0.00 -0.49 0.00 0.00 175.26 176.05 2k9h n ALA 82 N -0.39 3.60 -2.46 5.21 0.00 -1.26 -4.24 120.51 120.97 2k9h n ALA 82 Ca 0.07 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2k9h n ALA 82 Cb 0.48 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 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 0.43 1.96 0.31 0.00 -4.23 -1.26 -4.87 115.64 107.99 2k9h s THR 83 Ca 0.02 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 2k9h s THR 83 Cb 0.01 -1.74 0.28 0.00 1.34 0.00 0.00 72.50 72.39 2k9h s THR 83 CO 0.00 0.07 1.92 1.05 -0.54 0.00 0.00 174.62 177.12 2k9h h GLU 84 N 4.15 0.94 -0.92 3.99 9.09 -1.87 -0.87 114.58 129.09 2k9h h GLU 84 Ca -0.48 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 58.87 2k9h h GLU 84 Cb 1.17 -0.21 -0.04 0.00 -1.65 0.00 0.00 28.75 28.01 2k9h h GLU 84 CO 0.40 0.62 0.53 0.77 0.05 0.00 0.00 179.01 181.38 2k9h h SER 85 N 0.97 1.13 0.19 3.06 0.02 -1.94 -0.62 113.55 116.35 2k9h h SER 85 Ca 0.37 -0.08 -0.25 0.00 -0.84 0.00 0.00 61.79 60.99 2k9h h SER 85 Cb 0.22 -0.29 0.03 0.00 0.14 0.00 0.00 62.40 62.50 2k9h h SER 85 CO -0.14 0.88 -1.10 0.00 -1.14 0.00 0.00 176.83 175.33 2k9h h ALA 86 N 1.30 -0.11 -0.22 3.77 0.00 -1.74 -3.28 119.26 118.99 2k9h h ALA 86 Ca 0.33 -0.78 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2k9h h ALA 86 Cb -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k9h h ALA 86 CO -0.06 0.52 -0.00 -0.07 0.00 0.00 0.00 179.25 179.64 2k9h h LEU 87 N -0.17 0.38 -1.33 0.00 3.38 -1.12 -3.08 115.31 113.37 2k9h h LEU 87 Ca -0.20 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.50 2k9h h LEU 87 Cb 1.85 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 2k9h h LEU 87 CO 0.20 0.60 0.47 1.56 0.09 0.00 0.00 178.44 181.36 2k9h h GLN 88 N 0.15 0.85 -0.04 1.13 4.20 -1.28 -1.62 115.11 118.52 2k9h h GLN 88 Ca 0.06 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2k9h h GLN 88 Cb 0.40 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2k9h h GLN 88 CO 0.01 0.56 -0.10 0.00 -0.67 0.00 0.00 178.83 178.63 2k9h h ALA 89 N 1.58 1.77 -0.01 3.87 0.00 -1.59 -2.14 119.26 122.73 2k9h h ALA 89 Ca 0.28 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2k9h h ALA 89 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k9h h ALA 89 CO -0.08 0.18 -0.19 1.25 0.00 0.00 0.00 179.25 180.41 2k9h h HIS 90 N 0.05 0.21 0.00 0.00 -0.00 -1.24 -3.28 115.15 110.89 2k9h h HIS 90 Ca 0.01 -0.11 -0.00 0.00 -0.00 0.00 0.00 60.37 60.27 2k9h h HIS 90 Cb 0.22 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2k9h h HIS 90 CO 0.00 0.88 -0.01 1.88 -0.00 0.00 0.00 177.93 180.68 2k9h h TYR 91 N -0.52 0.00 0.00 5.26 0.05 -1.25 -0.91 116.97 119.61 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 0.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.66 2k9h h TYR 91 CO 0.17 0.01 0.00 0.77 -1.05 0.00 0.00 178.16 178.06 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.45 -3.19 113.55 112.81 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 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 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 -3.08 0.00 -4.33 3.27 -5.35 -0.59 -5.07 119.36 104.22 2k9h n ILE 93 Ca -0.02 -0.34 -0.34 0.00 -0.27 0.00 0.00 62.75 61.78 2k9h n ILE 93 Cb 0.17 1.13 -0.11 0.00 -1.74 0.00 0.00 39.64 39.09 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 3.04 0.53 0.00 0.00 3.00 -1.26 -4.74 118.16 118.73 2k9h n LYS 95 Ca -0.18 -0.23 0.11 0.00 -0.00 0.00 0.00 58.31 58.02 2k9h n LYS 95 Cb 0.53 -0.68 0.52 0.00 0.00 0.00 0.00 35.03 35.40 2k9h n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2k9h n LEU 96 N -0.14 0.00 0.27 3.14 4.32 -1.26 -4.16 117.00 119.16 2k9h n LEU 96 Ca 0.00 0.38 0.10 0.00 -0.02 0.00 0.00 56.01 56.46 2k9h n LEU 96 Cb 0.08 -0.38 0.51 0.00 -1.62 0.00 0.00 43.42 42.02 2k9h n LEU 96 CO 0.00 -0.10 0.98 0.71 -1.22 0.00 0.00 177.39 177.77 2k9h h THR 97 N 0.00 0.00 -0.14 -5.08 1.35 -1.87 -1.69 112.91 105.48 2k9h h THR 97 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.67 2k9h h THR 97 Cb 0.28 0.42 -0.32 0.00 -1.73 0.00 0.00 68.15 66.81 2k9h h THR 97 CO 0.00 0.00 -0.83 0.61 -0.25 0.00 0.00 175.52 175.05 2k9h n GLY 98 N -1.28 1.31 0.00 5.82 0.00 -1.26 -4.59 105.19 105.19 2k9h n GLY 98 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2k9h n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36