#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9h n GLY 44 N 0.00 2.10 0.07 -5.12 0.00 -1.26 -4.93 105.19 96.06 2k9h n GLY 44 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2k9h n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k9h h SER 45 N 0.00 0.04 0.00 1.61 4.64 -1.98 -3.39 113.55 114.47 2k9h h SER 45 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2k9h h SER 45 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2k9h h SER 45 CO 0.00 1.04 0.00 0.80 -0.87 0.00 0.00 176.83 177.80 2k9h n MET 46 N -3.33 0.05 -4.49 4.77 1.56 -1.26 -4.74 117.12 109.68 2k9h n MET 46 Ca -0.03 -0.36 -0.20 0.00 -0.27 0.00 0.00 57.70 56.84 2k9h n MET 46 Cb 0.96 -0.66 -0.15 0.00 2.15 0.00 0.00 33.22 35.52 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 -0.10 0.89 0.50 1.12 1.01 -1.26 -4.08 120.40 118.49 2k9h s VAL 47 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 2k9h s VAL 47 Cb 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 36.38 35.56 2k9h s VAL 47 CO 0.00 0.26 1.40 0.00 0.00 0.00 0.00 175.10 176.76 2k9h n ASP 49 N -0.65 0.55 0.01 0.00 2.03 -1.26 -2.96 116.55 114.26 2k9h n ASP 49 Ca 0.08 0.59 -0.02 0.00 0.52 0.00 0.00 54.79 55.95 2k9h n ASP 49 Cb 0.43 -0.72 -0.01 0.00 -0.72 0.00 0.00 41.12 40.10 2k9h n ASP 49 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2k9h n VAL 50 N -2.05 1.16 1.63 5.18 0.31 -1.26 -4.79 118.33 118.50 2k9h n VAL 50 Ca 0.04 0.31 0.15 0.00 -0.01 0.00 0.00 64.34 64.83 2k9h n VAL 50 Cb 0.32 -1.73 0.67 0.00 -0.91 0.00 0.00 33.84 32.18 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 -0.41 -1.60 -4.32 0.00 -0.00 -1.16 -4.67 115.22 103.07 2k9h n HIS 52 Ca 0.20 0.64 -0.24 0.00 -0.00 0.00 0.00 57.72 58.31 2k9h n HIS 52 Cb 0.27 -2.46 -0.08 0.00 -0.00 0.00 0.00 29.99 27.72 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 -3.09 2.63 0.69 4.41 5.65 -1.26 -4.78 115.29 119.53 2k9h s HIS 53 Ca 0.65 -0.23 -0.11 0.00 0.25 0.00 0.00 55.06 55.62 2k9h s HIS 53 Cb -0.36 -1.19 0.00 0.00 -1.18 0.00 0.00 32.58 29.85 2k9h s HIS 53 CO 0.80 0.61 1.06 -2.00 -0.65 0.00 0.00 174.74 174.56 2k9h s GLU 54 N -3.46 2.99 0.20 2.88 2.12 -1.26 -1.17 118.70 120.99 2k9h s GLU 54 Ca 0.30 0.93 0.03 0.00 0.36 0.00 0.00 54.97 56.59 2k9h s GLU 54 Cb -0.07 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.28 2k9h s GLU 54 CO 0.18 -1.05 -0.01 0.00 -0.54 0.00 0.00 175.26 173.84 2k9h h GLU 56 N 2.60 0.79 -4.20 0.00 4.81 -1.95 -3.45 114.58 113.19 2k9h h GLU 56 Ca -0.37 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 58.65 2k9h h GLU 56 Cb 1.21 -0.16 -0.15 0.00 0.63 0.00 0.00 28.75 30.28 2k9h h GLU 56 CO 0.63 0.59 -0.61 0.95 -0.73 0.00 0.00 179.01 179.85 2k9h s THR 57 N -5.53 0.17 -0.27 0.32 -4.23 -1.26 -5.05 115.64 99.80 2k9h s THR 57 Ca -0.10 -1.71 0.27 0.00 -1.18 0.00 0.00 61.69 58.97 2k9h s THR 57 Cb 0.17 -1.63 0.30 0.00 1.34 0.00 0.00 72.50 72.69 2k9h s THR 57 CO 0.77 -0.79 1.81 0.00 -0.54 0.00 0.00 174.62 175.87 2k9h h ALA 58 N 2.99 1.00 0.07 3.99 0.00 -1.87 -2.87 119.26 122.57 2k9h h ALA 58 Ca -0.34 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 2k9h h ALA 58 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2k9h h ALA 58 CO 0.62 0.00 -1.12 -0.22 0.00 0.00 0.00 179.25 178.53 2k9h h LYS 59 N 0.00 0.14 0.00 0.00 1.63 -1.97 -3.34 116.57 113.03 2k9h h LYS 59 Ca 0.00 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 2k9h h LYS 59 Cb 0.43 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2k9h h LYS 59 CO 0.00 1.11 0.00 0.93 -3.45 0.00 0.00 179.45 178.04 2k9h h GLU 60 N -0.60 0.00 -0.29 1.90 4.39 -1.93 -2.83 114.58 115.21 2k9h h GLU 60 Ca -0.26 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.53 2k9h h GLU 60 Cb 1.51 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.15 2k9h h GLU 60 CO -0.02 0.00 0.22 1.25 -1.16 0.00 0.00 179.01 179.30 2k9h h LEU 61 N 0.00 0.00 -0.17 1.33 5.85 -1.63 -0.87 115.31 119.81 2k9h h LEU 61 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2k9h h LEU 61 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2k9h h LEU 61 CO 0.00 0.00 -0.31 -0.08 -0.34 0.00 0.00 178.44 177.71 2k9h h GLU 62 N 0.00 0.51 -0.45 1.25 4.81 -1.71 -2.52 114.58 116.48 2k9h h GLU 62 Ca 0.14 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 2k9h h GLU 62 Cb 0.57 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2k9h h GLU 62 CO -0.00 0.93 0.09 0.77 -0.73 0.00 0.00 179.01 180.07 2k9h h SER 63 N 0.16 0.63 0.87 1.04 0.02 -1.53 -2.21 113.55 112.52 2k9h h SER 63 Ca 0.01 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 2k9h h SER 63 Cb 0.90 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2k9h h SER 63 CO 0.07 0.64 -0.46 -0.74 -1.14 0.00 0.00 176.83 175.20 2k9h h HIS 64 N 0.66 -1.21 -0.79 3.45 6.17 -1.13 -2.54 115.15 119.76 2k9h h HIS 64 Ca 0.15 -0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.22 2k9h h HIS 64 Cb 0.27 0.41 -0.04 0.00 2.52 0.00 0.00 27.41 30.57 2k9h h HIS 64 CO 0.01 -0.72 0.52 0.07 0.71 0.00 0.00 177.93 178.52 2k9h h ARG 65 N -1.22 1.00 0.00 5.26 0.11 -1.41 -0.38 114.38 117.74 2k9h h ARG 65 Ca -0.12 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.90 2k9h h ARG 65 Cb 0.95 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 31.81 2k9h h ARG 65 CO 0.17 0.66 0.00 1.96 0.10 0.00 0.00 179.97 182.86 2k9h h GLN 66 N 1.03 0.00 0.04 0.08 1.08 -1.36 -1.97 115.11 114.00 2k9h h GLN 66 Ca 0.30 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 57.12 2k9h h GLN 66 Cb -0.06 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.32 2k9h h GLN 66 CO -0.07 0.00 -2.24 0.43 -0.95 0.00 0.00 178.83 175.99 2k9h n SER 67 N -3.02 2.01 -0.32 1.46 7.64 -0.59 -4.44 113.62 116.35 2k9h n SER 67 Ca -0.01 0.09 0.03 0.00 1.01 0.00 0.00 58.87 59.99 2k9h n SER 67 Cb 0.19 -0.66 0.17 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 0.93 0.00 -0.28 0.00 6.09 -1.57 -0.04 117.51 122.64 2k9h h ILE 69 Ca 0.41 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.90 2k9h h ILE 69 Cb 0.30 0.88 0.00 0.00 0.47 0.00 0.00 36.82 38.47 2k9h h ILE 69 CO -0.22 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.45 2k9h n ASN 70 N -2.96 2.73 -1.11 2.19 3.02 -0.64 -4.93 115.26 113.56 2k9h n ASN 70 Ca -0.03 -1.91 -0.11 0.00 -0.03 0.00 0.00 54.58 52.50 2k9h n ASN 70 Cb 0.14 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 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 0.49 0.48 3.38 7.41 0.00 -0.03 -4.81 105.19 112.11 2k9h n GLY 71 Ca 0.10 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.88 1.39 0.12 1.61 0.74 -0.55 -0.84 119.66 118.24 2k9h s GLN 72 Ca 0.00 -1.41 -0.25 0.00 0.05 0.00 0.00 55.36 53.75 2k9h s GLN 72 Cb 0.00 -1.70 -0.07 0.00 1.10 0.00 0.00 33.01 32.34 2k9h s GLN 72 CO 0.00 0.38 0.78 0.00 -0.55 0.00 0.00 175.29 175.90 2k9h h PRO 74 N 4.91 0.00 0.00 0.00 0.13 -1.87 -3.28 132.00 131.89 2k9h h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k9h h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k9h h PRO 74 CO 0.68 0.00 -0.19 0.66 -0.23 0.00 0.00 178.00 178.92 2k9h n TYR 75 N -2.80 0.00 1.34 1.56 4.01 -1.26 -4.84 117.16 115.16 2k9h n TYR 75 Ca -0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.86 2k9h n TYR 75 Cb 0.09 0.00 0.67 0.00 -0.31 0.00 0.00 39.34 39.79 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 -1.23 -1.50 -1.96 0.00 2.81 -1.24 -4.99 117.12 109.01 2k9h n MET 77 Ca 0.13 0.99 -0.39 0.00 -1.81 0.00 0.00 57.70 56.62 2k9h n MET 77 Cb 0.27 -5.32 0.01 0.00 -0.71 0.00 0.00 33.22 27.47 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 -2.30 2.42 -0.03 2.03 2.01 -1.26 -4.75 115.64 113.77 2k9h s THR 78 Ca 0.00 0.36 0.06 0.00 0.31 0.00 0.00 61.69 62.42 2k9h s THR 78 Cb 0.00 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 2k9h s THR 78 CO 0.00 0.04 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.15 2k9h s ILE 79 N -1.28 1.55 0.00 1.82 1.01 -1.26 -1.73 121.20 121.31 2k9h s ILE 79 Ca 0.61 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.44 2k9h s ILE 79 Cb -0.39 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 40.78 2k9h s ILE 79 CO 0.49 0.44 0.00 1.07 0.00 0.00 0.00 174.94 176.94 2k9h n THR 80 N 2.76 0.00 -2.14 2.92 5.66 -0.02 -5.02 114.28 118.44 2k9h n THR 80 Ca -0.16 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.49 2k9h n THR 80 Cb 0.53 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.33 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 -1.25 3.19 0.00 1.09 2.02 -1.26 -4.47 118.70 118.02 2k9h s GLU 81 Ca 0.00 1.68 0.16 0.00 0.02 0.00 0.00 54.97 56.83 2k9h s GLU 81 Cb 0.00 -1.97 0.98 0.00 0.10 0.00 0.00 34.13 33.23 2k9h s GLU 81 CO 0.00 -1.00 1.46 0.00 0.02 0.00 0.00 175.26 175.74 2k9h n ALA 82 N -1.47 2.34 -1.74 5.21 0.00 -1.26 -4.32 120.51 119.27 2k9h n ALA 82 Ca 0.12 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 2k9h n ALA 82 Cb 0.51 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.00 3.51 0.32 0.00 -4.23 -1.26 -4.82 115.64 107.16 2k9h s THR 83 Ca 0.25 0.87 0.01 0.00 -1.18 0.00 0.00 61.69 61.64 2k9h s THR 83 Cb 0.11 -3.34 0.20 0.00 1.34 0.00 0.00 72.50 70.81 2k9h s THR 83 CO 0.19 -0.27 1.91 1.05 -0.54 0.00 0.00 174.62 176.96 2k9h h GLU 84 N 1.07 0.77 -0.73 3.99 9.09 -1.89 -2.08 114.58 124.80 2k9h h GLU 84 Ca -0.49 -0.11 -0.04 0.00 0.05 0.00 0.00 59.36 58.78 2k9h h GLU 84 Cb 1.24 -0.14 -0.03 0.00 -1.65 0.00 0.00 28.75 28.16 2k9h h GLU 84 CO 0.57 0.63 0.32 0.77 0.05 0.00 0.00 179.01 181.35 2k9h h SER 85 N 0.77 0.98 -0.09 3.06 0.02 -1.93 0.11 113.55 116.47 2k9h h SER 85 Ca 0.19 -0.16 -0.18 0.00 -0.84 0.00 0.00 61.79 60.80 2k9h h SER 85 Cb 0.14 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.44 2k9h h SER 85 CO -0.02 0.87 -0.64 0.00 -1.14 0.00 0.00 176.83 175.90 2k9h h ALA 86 N 1.15 0.19 -0.33 3.77 0.00 -1.81 -3.09 119.26 119.15 2k9h h ALA 86 Ca 0.25 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2k9h h ALA 86 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k9h h ALA 86 CO -0.02 0.47 -0.16 -0.07 0.00 0.00 0.00 179.25 179.47 2k9h h LEU 87 N 0.20 0.72 -1.08 0.00 3.38 -1.32 -2.88 115.31 114.33 2k9h h LEU 87 Ca -0.06 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2k9h h LEU 87 Cb 1.29 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2k9h h LEU 87 CO 0.13 0.97 0.56 1.56 0.09 0.00 0.00 178.44 181.75 2k9h h GLN 88 N 0.47 1.19 -0.56 1.13 4.20 -1.08 -0.56 115.11 119.90 2k9h h GLN 88 Ca 0.07 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2k9h h GLN 88 Cb 0.70 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2k9h h GLN 88 CO 0.05 0.81 0.29 0.00 -0.67 0.00 0.00 178.83 179.31 2k9h h ALA 89 N 1.41 1.45 0.15 3.87 0.00 -1.47 -1.10 119.26 123.56 2k9h h ALA 89 Ca 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2k9h h ALA 89 Cb -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2k9h h ALA 89 CO -0.06 0.45 -0.07 1.25 0.00 0.00 0.00 179.25 180.81 2k9h h HIS 90 N 0.79 -0.19 0.00 0.00 -0.00 -1.15 -3.30 115.15 111.30 2k9h h HIS 90 Ca 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 2k9h h HIS 90 Cb 0.05 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 2k9h h HIS 90 CO 0.01 0.26 0.00 1.88 -0.00 0.00 0.00 177.93 180.07 2k9h h TYR 91 N -0.79 0.00 0.00 5.26 0.05 -1.03 -1.64 116.97 118.82 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 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 2k9h h TYR 91 CO 0.08 0.00 0.00 0.77 -1.05 0.00 0.00 178.16 177.96 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.27 -3.17 113.55 113.01 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 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 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 -3.07 0.00 -4.76 3.27 -5.35 -0.65 -5.05 119.36 103.74 2k9h n ILE 93 Ca -0.02 -0.42 -0.33 0.00 -0.27 0.00 0.00 62.75 61.71 2k9h n ILE 93 Cb 0.17 1.13 -0.13 0.00 -1.74 0.00 0.00 39.64 39.07 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 2.85 0.52 0.00 0.00 0.00 -1.26 -4.77 118.16 115.50 2k9h n LYS 95 Ca -0.18 -0.60 0.11 0.00 0.00 0.00 0.00 58.31 57.65 2k9h n LYS 95 Cb 0.53 -0.68 0.52 0.00 0.00 0.00 0.00 35.03 35.39 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 -0.11 0.00 0.27 3.14 4.77 -1.26 -4.17 117.00 119.64 2k9h n LEU 96 Ca 0.00 0.47 0.09 0.00 -0.03 0.00 0.00 56.01 56.54 2k9h n LEU 96 Cb 0.31 -0.47 0.48 0.00 -2.33 0.00 0.00 43.42 41.41 2k9h n LEU 96 CO 0.00 -0.09 0.98 0.71 -1.33 0.00 0.00 177.39 177.66 2k9h h THR 97 N 0.00 0.00 0.00 -5.08 1.35 -1.96 -1.95 112.91 105.27 2k9h h THR 97 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.74 2k9h h THR 97 Cb 0.39 0.39 -0.24 0.00 -1.73 0.00 0.00 68.15 66.96 2k9h h THR 97 CO 0.00 0.00 -0.79 0.61 -0.25 0.00 0.00 175.52 175.09 2k9h n GLY 98 N -1.29 0.81 0.00 5.82 0.00 -1.26 -4.84 105.19 104.44 2k9h n GLY 98 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2k9h n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36