#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 0.73 0.03 -5.12 0.00 -1.26 -5.03 105.19 94.54 2k9h n GLY 44 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 0.17 -0.30 1.61 3.41 -1.26 -3.06 113.62 114.18 2k9h n SER 45 Ca 0.00 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 2k9h n SER 45 Cb 0.00 -0.58 0.17 0.00 -0.26 0.00 0.00 64.21 63.54 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 -1.69 1.47 -5.24 4.33 1.56 -1.26 -5.02 117.12 111.28 2k9h n MET 46 Ca 0.03 -2.83 -0.32 0.00 -0.27 0.00 0.00 57.70 54.31 2k9h n MET 46 Cb 0.18 -1.56 -0.17 0.00 2.15 0.00 0.00 33.22 33.83 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 -3.00 2.04 0.42 1.12 1.01 -1.17 -3.64 120.40 117.18 2k9h s VAL 47 Ca 0.35 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 2k9h s VAL 47 Cb 0.31 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 2k9h s VAL 47 CO 0.00 0.56 1.36 0.00 0.00 0.00 0.00 175.10 177.03 2k9h n ASP 49 N 0.07 0.32 -0.02 0.00 8.00 -1.26 -2.70 116.55 120.96 2k9h n ASP 49 Ca 0.04 0.56 -0.03 0.00 0.71 0.00 0.00 54.79 56.07 2k9h n ASP 49 Cb 0.42 -0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 40.87 2k9h n ASP 49 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2k9h n VAL 50 N -1.84 0.18 0.72 2.53 0.31 -1.26 -4.83 118.33 114.14 2k9h n VAL 50 Ca 0.04 -0.05 0.10 0.00 -0.01 0.00 0.00 64.34 64.42 2k9h n VAL 50 Cb 0.25 -1.43 0.09 0.00 -0.91 0.00 0.00 33.84 31.84 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 1.09 -1.40 -2.96 0.00 -0.00 -1.10 -4.59 115.22 106.26 2k9h n HIS 52 Ca 0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.47 2k9h n HIS 52 Cb 0.48 -2.13 -0.06 0.00 -0.00 0.00 0.00 29.99 28.28 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 -2.26 3.73 -1.08 4.41 5.65 -1.26 -4.64 115.29 119.85 2k9h s HIS 53 Ca 0.00 1.58 -0.18 0.00 0.25 0.00 0.00 55.06 56.71 2k9h s HIS 53 Cb 0.00 -2.76 0.12 0.00 -1.18 0.00 0.00 32.58 28.76 2k9h s HIS 53 CO 0.00 0.34 1.36 -1.83 -0.65 0.00 0.00 174.74 173.96 2k9h s GLU 54 N -1.79 3.79 0.68 2.88 -1.05 -1.26 -1.82 118.70 120.13 2k9h s GLU 54 Ca 0.44 -1.91 -0.17 0.00 -0.15 0.00 0.00 54.97 53.18 2k9h s GLU 54 Cb -0.19 -5.13 -0.04 0.00 -0.44 0.00 0.00 34.13 28.33 2k9h s GLU 54 CO 0.23 -1.92 0.62 0.00 0.95 0.00 0.00 175.26 175.15 2k9h h GLU 56 N -0.14 0.12 -4.07 0.00 4.57 -1.95 -3.42 114.58 109.69 2k9h h GLU 56 Ca -0.46 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 57.59 2k9h h GLU 56 Cb 1.36 -0.03 -0.16 0.00 -0.16 0.00 0.00 28.75 29.76 2k9h h GLU 56 CO 0.45 0.08 -0.63 0.95 -1.18 0.00 0.00 179.01 178.68 2k9h s THR 57 N -5.13 0.18 -0.81 0.32 -4.23 -1.26 -5.05 115.64 99.65 2k9h s THR 57 Ca -0.06 -1.46 0.19 0.00 -1.18 0.00 0.00 61.69 59.18 2k9h s THR 57 Cb 0.21 -1.16 0.18 0.00 1.34 0.00 0.00 72.50 73.07 2k9h s THR 57 CO 0.75 -0.81 1.60 0.00 -0.54 0.00 0.00 174.62 175.63 2k9h n ALA 58 N 0.48 1.75 -0.12 3.99 0.00 -1.26 -2.82 120.51 122.52 2k9h n ALA 58 Ca -0.17 -0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 2k9h n ALA 58 Cb 0.60 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 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 0.65 0.29 0.00 3.00 -1.26 -4.25 118.16 114.81 2k9h n LYS 59 Ca 0.03 0.17 0.16 0.00 -0.00 0.00 0.00 58.31 58.68 2k9h n LYS 59 Cb 0.22 -1.53 0.89 0.00 0.00 0.00 0.00 35.03 34.60 2k9h n LYS 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2k9h h GLU 60 N -0.07 0.00 -0.75 1.64 4.39 -1.91 -1.92 114.58 115.95 2k9h h GLU 60 Ca -0.58 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.29 2k9h h GLU 60 Cb 1.89 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.49 2k9h h GLU 60 CO -0.10 0.05 0.51 1.25 -1.16 0.00 0.00 179.01 179.55 2k9h h LEU 61 N 0.00 0.30 -1.06 1.33 5.85 -1.70 -0.52 115.31 119.51 2k9h h LEU 61 Ca -0.00 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 2k9h h LEU 61 Cb 0.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2k9h h LEU 61 CO 0.01 0.15 -0.34 -0.08 -0.34 0.00 0.00 178.44 177.83 2k9h h GLU 62 N 0.31 0.23 0.17 1.25 4.81 -1.57 -2.01 114.58 117.77 2k9h h GLU 62 Ca 0.37 -0.09 -0.30 0.00 -0.13 0.00 0.00 59.36 59.21 2k9h h GLU 62 Cb 0.99 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.37 2k9h h GLU 62 CO -0.10 0.55 -1.34 0.77 -0.73 0.00 0.00 179.01 178.16 2k9h h SER 63 N 0.20 0.56 0.50 1.04 0.02 -1.37 -3.30 113.55 111.20 2k9h h SER 63 Ca 0.02 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 60.36 2k9h h SER 63 Cb 0.71 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2k9h h SER 63 CO 0.05 1.47 -0.50 -0.74 -1.14 0.00 0.00 176.83 175.98 2k9h h HIS 64 N 0.10 -1.39 -0.98 3.45 6.17 -0.91 -2.36 115.15 119.23 2k9h h HIS 64 Ca -0.18 0.01 0.13 0.00 0.71 0.00 0.00 60.37 61.04 2k9h h HIS 64 Cb 2.04 0.54 -0.08 0.00 2.52 0.00 0.00 27.41 32.43 2k9h h HIS 64 CO 0.08 -0.67 0.62 0.07 0.71 0.00 0.00 177.93 178.75 2k9h h ARG 65 N -1.00 0.91 0.00 5.26 0.11 -1.54 -0.38 114.38 117.74 2k9h h ARG 65 Ca -0.06 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.96 2k9h h ARG 65 Cb 0.87 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2k9h h ARG 65 CO -0.06 0.60 0.00 1.96 0.10 0.00 0.00 179.97 182.57 2k9h h GLN 66 N 0.93 0.00 0.08 0.08 4.20 -1.59 -2.71 115.11 116.10 2k9h h GLN 66 Ca 0.49 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.85 2k9h h GLN 66 Cb 0.54 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2k9h h GLN 66 CO -0.26 0.00 -1.97 0.43 -0.67 0.00 0.00 178.83 176.37 2k9h n SER 67 N -3.08 2.05 -0.27 1.46 7.64 -0.42 -4.34 113.62 116.66 2k9h n SER 67 Ca 0.01 0.20 -0.00 0.00 1.01 0.00 0.00 58.87 60.09 2k9h n SER 67 Cb 0.31 -0.81 0.12 0.00 -1.01 0.00 0.00 64.21 62.82 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 0.81 0.00 -0.33 0.00 2.10 -1.68 -0.04 117.51 118.37 2k9h h ILE 69 Ca 0.34 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 66.27 2k9h h ILE 69 Cb 0.20 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 2k9h h ILE 69 CO -0.18 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.48 2k9h n ASN 70 N -2.98 2.94 -0.92 2.19 3.02 -0.60 -4.92 115.26 113.99 2k9h n ASN 70 Ca -0.03 -1.88 -0.11 0.00 -0.03 0.00 0.00 54.58 52.53 2k9h n ASN 70 Cb 0.07 -0.22 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 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 1.03 3.46 7.41 0.00 -0.03 -4.83 105.19 113.09 2k9h n GLY 71 Ca 0.14 -0.50 -0.25 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 -3.20 1.65 0.12 1.61 0.74 -0.37 -0.79 119.66 119.41 2k9h s GLN 72 Ca 0.00 -1.70 -0.23 0.00 0.05 0.00 0.00 55.36 53.47 2k9h s GLN 72 Cb 0.00 -1.79 -0.07 0.00 1.10 0.00 0.00 33.01 32.24 2k9h s GLN 72 CO 0.00 0.35 0.71 0.00 -0.55 0.00 0.00 175.29 175.80 2k9h n PRO 74 N 1.85 0.15 0.00 0.00 -0.04 -1.26 -3.23 135.00 132.47 2k9h n PRO 74 Ca -0.07 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2k9h n PRO 74 Cb 0.50 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.19 0.00 0.69 0.54 4.02 -1.26 -4.84 117.16 114.12 2k9h n TYR 75 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 2k9h n TYR 75 Cb 0.13 0.27 0.47 0.00 -0.02 0.00 0.00 39.34 40.18 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 -2.02 -1.68 -1.75 0.00 2.81 -1.20 -4.99 117.12 108.30 2k9h n MET 77 Ca 0.05 0.83 -0.39 0.00 -1.81 0.00 0.00 57.70 56.38 2k9h n MET 77 Cb 0.36 -5.16 0.04 0.00 -0.71 0.00 0.00 33.22 27.75 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 -2.06 3.59 -5.11 2.03 -1.04 -1.26 -4.60 114.28 105.83 2k9h n THR 78 Ca -0.11 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.10 2k9h n THR 78 Cb 0.55 -1.72 -0.15 0.00 -1.82 0.00 0.00 70.33 67.18 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 -1.26 2.19 0.03 12.58 1.01 -1.26 -2.02 121.20 132.47 2k9h s ILE 79 Ca 0.69 -1.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.16 2k9h s ILE 79 Cb -0.42 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.24 2k9h s ILE 79 CO 0.51 0.50 0.04 1.07 0.00 0.00 0.00 174.94 177.06 2k9h n THR 80 N 2.16 0.00 -2.12 2.92 5.66 0.03 -5.02 114.28 117.92 2k9h n THR 80 Ca -0.16 -0.12 -0.37 0.00 -3.05 0.00 0.00 64.05 60.34 2k9h n THR 80 Cb 0.51 0.08 0.01 0.00 -1.55 0.00 0.00 70.33 69.38 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 -2.05 3.55 0.00 1.09 2.02 -1.26 -4.49 118.70 117.56 2k9h s GLU 81 Ca 0.02 1.90 -0.02 0.00 0.02 0.00 0.00 54.97 56.89 2k9h s GLU 81 Cb -0.00 -2.34 -0.08 0.00 0.10 0.00 0.00 34.13 31.81 2k9h s GLU 81 CO 0.01 -0.76 2.24 0.00 0.02 0.00 0.00 175.26 176.77 2k9h n ALA 82 N -0.69 4.34 -2.49 5.21 0.00 -1.26 -4.33 120.51 121.29 2k9h n ALA 82 Ca 0.08 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.78 2k9h n ALA 82 Cb 0.47 -1.55 -0.11 0.00 0.00 0.00 0.00 19.45 18.26 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 0.63 1.46 0.19 0.00 -4.23 -1.26 -4.88 115.64 107.56 2k9h s THR 83 Ca 0.20 -1.75 -0.12 0.00 -1.18 0.00 0.00 61.69 58.85 2k9h s THR 83 Cb 0.10 -1.60 0.10 0.00 1.34 0.00 0.00 72.50 72.44 2k9h s THR 83 CO 0.00 -0.37 1.80 -0.08 -0.54 0.00 0.00 174.62 175.43 2k9h h GLU 84 N 3.50 0.58 -0.88 3.99 4.81 -1.89 0.08 114.58 124.77 2k9h h GLU 84 Ca -0.41 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.84 2k9h h GLU 84 Cb 1.20 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 2k9h h GLU 84 CO 0.50 0.38 0.58 0.77 -0.73 0.00 0.00 179.01 180.51 2k9h h SER 85 N 0.60 0.91 0.21 1.04 0.02 -1.93 0.22 113.55 114.61 2k9h h SER 85 Ca 0.25 -0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.92 2k9h h SER 85 Cb 0.13 -0.20 0.03 0.00 0.14 0.00 0.00 62.40 62.51 2k9h h SER 85 CO -0.16 0.60 -1.28 0.00 -1.14 0.00 0.00 176.83 174.85 2k9h h ALA 86 N 1.51 -0.10 0.03 3.77 0.00 -1.77 -3.31 119.26 119.39 2k9h h ALA 86 Ca 0.37 -0.84 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 2k9h h ALA 86 Cb 0.13 0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.13 2k9h h ALA 86 CO -0.13 0.62 -0.78 -0.07 0.00 0.00 0.00 179.25 178.89 2k9h h LEU 87 N -0.06 0.63 -1.40 0.00 3.38 -0.80 -3.10 115.31 113.97 2k9h h LEU 87 Ca -0.23 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 56.94 2k9h h LEU 87 Cb 1.97 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 2k9h h LEU 87 CO 0.22 1.35 0.20 -0.61 0.09 0.00 0.00 178.44 179.68 2k9h h GLN 88 N -0.00 0.61 -0.58 1.13 5.75 -1.16 -0.81 115.11 120.05 2k9h h GLN 88 Ca -0.11 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.29 2k9h h GLN 88 Cb 1.49 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.90 2k9h h GLN 88 CO 0.15 0.48 0.22 0.00 -2.65 0.00 0.00 178.83 177.03 2k9h h ALA 89 N 1.61 1.28 0.13 3.38 0.00 -1.65 -0.77 119.26 123.25 2k9h h ALA 89 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k9h h ALA 89 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2k9h h ALA 89 CO -0.02 0.53 -0.06 1.25 0.00 0.00 0.00 179.25 180.94 2k9h h HIS 90 N 0.84 -0.17 0.00 0.00 -0.00 -1.25 -3.27 115.15 111.31 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 0.19 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2k9h h HIS 90 CO 0.01 0.27 0.00 1.88 -0.00 0.00 0.00 177.93 180.10 2k9h h TYR 91 N -0.70 0.00 0.00 5.26 0.05 -1.09 -1.66 116.97 118.84 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 0.08 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 -1.18 -3.16 113.55 113.11 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 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 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 -3.09 0.00 -4.52 3.27 -5.35 -0.68 -5.04 119.36 103.95 2k9h n ILE 93 Ca -0.01 -0.45 -0.33 0.00 -0.27 0.00 0.00 62.75 61.68 2k9h n ILE 93 Cb 0.17 1.05 -0.13 0.00 -1.74 0.00 0.00 39.64 38.99 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 3.68 1.04 0.32 0.00 4.76 -1.26 -4.72 118.16 121.98 2k9h n LYS 95 Ca -0.18 -0.83 0.21 0.00 -2.87 0.00 0.00 58.31 54.65 2k9h n LYS 95 Cb 0.52 -0.75 1.09 0.00 -1.84 0.00 0.00 35.03 34.05 2k9h n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2k9h h LEU 96 N 0.00 0.00 -1.24 -0.35 4.07 -1.99 -2.96 115.31 112.84 2k9h h LEU 96 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k9h h LEU 96 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 2k9h h LEU 96 CO 0.00 0.01 0.46 0.71 -1.08 0.00 0.00 178.44 178.53 2k9h h THR 97 N 0.00 0.00 0.00 0.22 1.35 -1.95 -2.45 112.91 110.08 2k9h h THR 97 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 2k9h h THR 97 Cb 0.11 0.41 -0.10 0.00 -1.73 0.00 0.00 68.15 66.84 2k9h h THR 97 CO 0.00 0.00 -0.50 0.61 -0.25 0.00 0.00 175.52 175.38 2k9h n GLY 98 N -1.28 0.71 0.00 5.82 0.00 -1.12 -4.81 105.19 104.51 2k9h n GLY 98 Ca -0.01 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.88 2k9h n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19