#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 0.40 0.00 3.03 0.00 -1.26 -5.02 105.19 102.34 2k9h n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k9h n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k9h n SER 45 N 0.00 0.16 -1.38 1.61 3.41 -1.26 -4.86 113.62 111.31 2k9h n SER 45 Ca 0.00 -0.55 -0.04 0.00 -0.26 0.00 0.00 58.87 58.02 2k9h n SER 45 Cb 0.00 0.19 0.11 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.19 1.98 -4.81 4.33 1.56 -1.26 -4.96 117.12 113.77 2k9h n MET 46 Ca 0.00 -3.40 -0.29 0.00 -0.27 0.00 0.00 57.70 53.74 2k9h n MET 46 Cb 0.07 -1.58 -0.17 0.00 2.15 0.00 0.00 33.22 33.69 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 -3.23 1.62 0.57 1.12 1.01 -1.26 -4.20 120.40 116.02 2k9h s VAL 47 Ca 0.40 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 2k9h s VAL 47 Cb 0.38 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2k9h s VAL 47 CO -0.05 0.46 1.32 0.00 0.00 0.00 0.00 175.10 176.83 2k9h n ASP 49 N -1.22 0.48 0.00 0.00 2.03 -1.26 -3.10 116.55 113.47 2k9h n ASP 49 Ca 0.12 0.60 0.00 0.00 0.52 0.00 0.00 54.79 56.03 2k9h n ASP 49 Cb 0.46 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 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 -2.01 0.00 1.38 5.18 0.31 -1.26 -4.82 118.33 117.10 2k9h n VAL 50 Ca 0.03 0.03 0.12 0.00 -0.01 0.00 0.00 64.34 64.51 2k9h n VAL 50 Cb 0.24 -1.02 0.68 0.00 -0.91 0.00 0.00 33.84 32.83 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 -1.10 -1.47 -4.52 0.00 -0.00 -1.18 -4.67 115.22 102.29 2k9h n HIS 52 Ca 0.16 0.65 -0.26 0.00 -0.00 0.00 0.00 57.72 58.27 2k9h n HIS 52 Cb 0.12 -2.23 -0.10 0.00 -0.00 0.00 0.00 29.99 27.78 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 -3.13 2.45 0.83 4.41 5.65 -1.26 -4.75 115.29 119.49 2k9h s HIS 53 Ca 0.71 -0.53 -0.12 0.00 0.25 0.00 0.00 55.06 55.37 2k9h s HIS 53 Cb -0.40 -1.49 0.10 0.00 -1.18 0.00 0.00 32.58 29.60 2k9h s HIS 53 CO 0.87 0.53 1.19 -1.83 -0.65 0.00 0.00 174.74 174.85 2k9h s GLU 54 N -3.65 1.76 0.23 2.88 -1.05 -1.26 -1.34 118.70 116.27 2k9h s GLU 54 Ca 0.34 -0.01 0.02 0.00 -0.15 0.00 0.00 54.97 55.17 2k9h s GLU 54 Cb 0.04 -1.95 -0.05 0.00 -0.44 0.00 0.00 34.13 31.73 2k9h s GLU 54 CO 0.17 -1.71 0.05 0.00 0.95 0.00 0.00 175.26 174.72 2k9h h GLU 56 N 2.47 0.50 -4.14 0.00 4.81 -1.92 -3.44 114.58 112.87 2k9h h GLU 56 Ca -0.38 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 58.70 2k9h h GLU 56 Cb 1.23 -0.11 -0.15 0.00 0.63 0.00 0.00 28.75 30.34 2k9h h GLU 56 CO 0.63 0.33 -0.62 0.95 -0.73 0.00 0.00 179.01 179.57 2k9h s THR 57 N -5.48 0.20 -0.84 0.32 -4.23 -1.26 -5.05 115.64 99.30 2k9h s THR 57 Ca -0.08 -1.64 0.20 0.00 -1.18 0.00 0.00 61.69 58.98 2k9h s THR 57 Cb 0.19 -1.42 0.18 0.00 1.34 0.00 0.00 72.50 72.79 2k9h s THR 57 CO 0.75 -0.91 1.61 0.00 -0.54 0.00 0.00 174.62 175.53 2k9h n ALA 58 N 0.16 1.78 -0.05 3.99 0.00 -1.26 -2.93 120.51 122.21 2k9h n ALA 58 Ca -0.15 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 2k9h n ALA 58 Cb 0.61 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 0.13 0.00 0.00 3.64 -1.96 -3.35 116.57 115.02 2k9h h LYS 59 Ca 0.00 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2k9h h LYS 59 Cb 0.34 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2k9h h LYS 59 CO 0.00 1.10 0.00 0.93 -2.27 0.00 0.00 179.45 179.21 2k9h h GLU 60 N -0.58 0.00 -0.46 1.90 4.39 -1.91 -2.84 114.58 115.07 2k9h h GLU 60 Ca -0.32 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.48 2k9h h GLU 60 Cb 1.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.19 2k9h h GLU 60 CO -0.06 0.00 0.32 1.25 -1.16 0.00 0.00 179.01 179.36 2k9h h LEU 61 N 0.00 0.13 -0.99 1.33 5.85 -1.67 -1.10 115.31 118.86 2k9h h LEU 61 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2k9h h LEU 61 Cb 0.31 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2k9h h LEU 61 CO 0.00 0.08 -0.16 -0.08 -0.34 0.00 0.00 178.44 177.93 2k9h h GLU 62 N 0.14 0.54 0.00 1.25 4.57 -1.73 -2.46 114.58 116.90 2k9h h GLU 62 Ca 0.22 -0.18 -0.18 0.00 -1.18 0.00 0.00 59.36 58.04 2k9h h GLU 62 Cb 0.67 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 2k9h h GLU 62 CO -0.03 0.69 -0.85 0.77 -1.18 0.00 0.00 179.01 178.41 2k9h h SER 63 N 0.49 0.04 1.00 1.04 0.02 -1.44 -3.33 113.55 111.37 2k9h h SER 63 Ca 0.08 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2k9h h SER 63 Cb 0.57 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.11 2k9h h SER 63 CO 0.04 0.87 -0.48 -0.74 -1.14 0.00 0.00 176.83 175.37 2k9h h HIS 64 N 0.01 -1.26 -0.83 3.45 -0.00 -0.95 -3.00 115.15 112.58 2k9h h HIS 64 Ca -0.01 -0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.44 2k9h h HIS 64 Cb 1.50 0.42 -0.08 0.00 -0.00 0.00 0.00 27.41 29.25 2k9h h HIS 64 CO 0.00 -0.78 0.45 0.07 -0.00 0.00 0.00 177.93 177.68 2k9h h ARG 65 N -1.35 0.70 0.00 5.26 0.11 -1.58 -0.50 114.38 117.02 2k9h h ARG 65 Ca -0.14 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.90 2k9h h ARG 65 Cb 1.03 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.96 2k9h h ARG 65 CO 0.22 0.46 0.00 -0.56 0.10 0.00 0.00 179.97 180.20 2k9h h GLN 66 N 0.72 0.00 0.10 0.08 3.07 -1.66 -2.18 115.11 115.24 2k9h h GLN 66 Ca 0.42 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.89 2k9h h GLN 66 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 2k9h h GLN 66 CO -0.29 0.00 -1.40 0.77 0.09 0.00 0.00 178.83 178.00 2k9h h SER 67 N 0.00 0.33 -0.52 0.06 0.02 -1.10 -3.38 113.55 108.96 2k9h h SER 67 Ca 0.00 -0.83 0.07 0.00 -0.84 0.00 0.00 61.79 60.19 2k9h h SER 67 Cb 0.52 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 2k9h h SER 67 CO 0.00 1.61 0.20 0.00 -1.14 0.00 0.00 176.83 177.50 2k9h h ILE 69 N 0.39 0.00 -0.31 0.00 6.09 -1.58 -0.04 117.51 122.06 2k9h h ILE 69 Ca 0.25 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.74 2k9h h ILE 69 Cb 0.26 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.46 2k9h h ILE 69 CO -0.24 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.43 2k9h n ASN 70 N -2.99 2.90 -0.42 2.19 3.02 -0.73 -4.91 115.26 114.33 2k9h n ASN 70 Ca -0.03 -1.87 -0.05 0.00 -0.03 0.00 0.00 54.58 52.60 2k9h n ASN 70 Cb 0.11 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.87 0.78 3.52 7.41 0.00 -0.03 -4.83 105.19 112.92 2k9h n GLY 71 Ca 0.13 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.11 1.88 0.16 1.61 0.74 -0.52 -0.84 119.66 120.58 2k9h s GLN 72 Ca 0.00 -1.31 -0.26 0.00 0.05 0.00 0.00 55.36 53.84 2k9h s GLN 72 Cb 0.00 -2.08 -0.08 0.00 1.10 0.00 0.00 33.01 31.95 2k9h s GLN 72 CO 0.00 0.44 0.81 0.00 -0.55 0.00 0.00 175.29 175.99 2k9h h PRO 74 N 4.52 0.00 0.00 0.00 0.13 -1.86 -3.26 132.00 131.54 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 0.67 0.00 -0.22 0.66 -0.23 0.00 0.00 178.00 178.88 2k9h n TYR 75 N -2.55 0.00 1.28 1.56 4.01 -1.26 -4.84 117.16 115.36 2k9h n TYR 75 Ca -0.01 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.87 2k9h n TYR 75 Cb 0.11 0.00 0.54 0.00 -0.31 0.00 0.00 39.34 39.68 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 -1.07 -0.82 -1.71 0.00 2.81 -1.23 -4.99 117.12 110.12 2k9h n MET 77 Ca 0.12 0.21 -0.40 0.00 -1.81 0.00 0.00 57.70 55.82 2k9h n MET 77 Cb 0.30 -4.66 0.03 0.00 -0.71 0.00 0.00 33.22 28.18 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 -2.01 3.11 -5.27 2.03 -1.04 -1.26 -4.64 114.28 105.19 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 0.21 -1.56 -0.16 0.00 -1.82 0.00 0.00 70.33 66.99 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 -1.27 2.04 0.12 12.58 1.01 -1.26 -2.05 121.20 132.38 2k9h s ILE 79 Ca 0.66 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2k9h s ILE 79 Cb -0.46 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 2k9h s ILE 79 CO 0.54 0.57 0.13 0.35 0.00 0.00 0.00 174.94 176.53 2k9h n THR 80 N 2.80 0.00 -2.07 2.92 -2.24 -0.02 -5.02 114.28 110.65 2k9h n THR 80 Ca -0.17 -0.80 -0.37 0.00 -2.27 0.00 0.00 64.05 60.44 2k9h n THR 80 Cb 0.52 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 69.19 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 -2.42 3.37 0.00 -0.78 2.02 -1.26 -4.49 118.70 115.13 2k9h s GLU 81 Ca 0.13 1.89 0.11 0.00 0.02 0.00 0.00 54.97 57.12 2k9h s GLU 81 Cb 0.00 -2.21 0.65 0.00 0.10 0.00 0.00 34.13 32.66 2k9h s GLU 81 CO 0.09 -0.91 1.14 0.00 0.02 0.00 0.00 175.26 175.61 2k9h n ALA 82 N -0.97 2.18 -1.79 5.21 0.00 -1.26 -4.30 120.51 119.58 2k9h n ALA 82 Ca 0.10 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 2k9h n ALA 82 Cb 0.48 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 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 3.85 0.23 0.00 -4.23 -1.26 -4.82 115.64 107.41 2k9h s THR 83 Ca 0.16 1.13 -0.08 0.00 -1.18 0.00 0.00 61.69 61.72 2k9h s THR 83 Cb 0.07 -3.46 0.19 0.00 1.34 0.00 0.00 72.50 70.64 2k9h s THR 83 CO 0.13 -0.27 1.88 -0.08 -0.54 0.00 0.00 174.62 175.74 2k9h h GLU 84 N 1.52 1.03 -0.84 3.99 4.81 -1.88 -1.05 114.58 122.16 2k9h h GLU 84 Ca -0.49 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2k9h h GLU 84 Cb 1.22 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 2k9h h GLU 84 CO 0.59 0.68 0.55 0.77 -0.73 0.00 0.00 179.01 180.87 2k9h h SER 85 N 1.06 0.92 0.24 1.04 0.02 -1.94 0.24 113.55 115.13 2k9h h SER 85 Ca 0.32 -0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.93 2k9h h SER 85 Cb -0.03 -0.22 0.04 0.00 0.14 0.00 0.00 62.40 62.33 2k9h h SER 85 CO -0.10 0.64 -1.42 0.00 -1.14 0.00 0.00 176.83 174.81 2k9h h ALA 86 N 1.50 -0.12 -0.27 3.77 0.00 -1.76 -3.19 119.26 119.18 2k9h h ALA 86 Ca 0.32 -0.84 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2k9h h ALA 86 Cb -0.02 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k9h h ALA 86 CO -0.09 0.70 -0.28 -0.07 0.00 0.00 0.00 179.25 179.51 2k9h h LEU 87 N 0.18 0.71 -1.11 0.00 3.38 -0.96 -2.83 115.31 114.67 2k9h h LEU 87 Ca -0.24 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 2k9h h LEU 87 Cb 2.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 2k9h h LEU 87 CO 0.27 1.04 0.39 1.56 0.09 0.00 0.00 178.44 181.79 2k9h h GLN 88 N 0.39 1.01 -0.62 1.13 4.20 -1.10 -0.85 115.11 119.26 2k9h h GLN 88 Ca 0.04 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2k9h h GLN 88 Cb 0.85 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 2k9h h GLN 88 CO 0.07 0.74 0.32 0.00 -0.67 0.00 0.00 178.83 179.30 2k9h h ALA 89 N 1.42 1.40 0.22 3.87 0.00 -1.53 -0.89 119.26 123.75 2k9h h ALA 89 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2k9h h ALA 89 Cb 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2k9h h ALA 89 CO -0.04 0.48 -0.11 1.25 0.00 0.00 0.00 179.25 180.84 2k9h h HIS 90 N 0.87 -0.28 0.00 0.00 -0.00 -1.13 -3.29 115.15 111.31 2k9h h HIS 90 Ca 0.22 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 2k9h h HIS 90 Cb 0.05 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2k9h h HIS 90 CO 0.01 0.11 0.00 1.88 -0.00 0.00 0.00 177.93 179.92 2k9h h TYR 91 N -0.84 0.00 0.00 5.26 0.05 -1.10 -0.70 116.97 119.63 2k9h h TYR 91 Ca -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 2k9h h TYR 91 Cb 0.51 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 2k9h h TYR 91 CO 0.06 0.00 -0.12 0.77 -1.05 0.00 0.00 178.16 177.82 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.23 -3.19 113.55 113.04 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 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2k9h h SER 92 CO 0.00 0.12 -0.60 2.30 -1.14 0.00 0.00 176.83 177.51 2k9h n ILE 93 N -3.74 0.00 -3.83 3.27 -5.35 -0.65 -5.00 119.36 104.06 2k9h n ILE 93 Ca -0.02 -0.29 -0.36 0.00 -0.27 0.00 0.00 62.75 61.81 2k9h n ILE 93 Cb 0.22 0.79 -0.10 0.00 -1.74 0.00 0.00 39.64 38.81 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 4.09 1.23 0.00 0.00 4.76 -1.26 -4.68 118.16 122.29 2k9h n LYS 95 Ca -0.16 -1.05 0.12 0.00 -2.87 0.00 0.00 58.31 54.36 2k9h n LYS 95 Cb 0.52 -0.75 0.65 0.00 -1.84 0.00 0.00 35.03 33.61 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 -0.28 0.00 -0.00 -0.35 4.77 -1.26 -4.43 117.00 115.44 2k9h n LEU 96 Ca 0.01 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2k9h n LEU 96 Cb 0.43 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2k9h n LEU 96 CO 0.00 -0.04 0.00 0.35 -1.33 0.00 0.00 177.39 176.37 2k9h n THR 97 N -1.23 0.00 -1.94 -5.08 -2.24 -1.26 -1.48 114.28 101.04 2k9h n THR 97 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2k9h n THR 97 Cb 0.18 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2k9h n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k9h n GLY 98 N -0.35 0.95 0.00 3.38 0.00 -1.26 -4.58 105.19 103.33 2k9h n GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k9h n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36