#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 1.65 0.34 -5.12 0.00 -1.26 -5.03 105.19 95.78 2k9h n GLY 44 Ca 0.00 -0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 0.18 0.00 -0.07 1.61 4.64 -2.03 -2.68 113.55 115.20 2k9h h SER 45 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2k9h h SER 45 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 2k9h h SER 45 CO 0.00 0.00 -0.72 0.80 -0.87 0.00 0.00 176.83 176.04 2k9h n MET 46 N -4.10 1.21 -5.23 4.77 1.56 -1.26 -5.04 117.12 109.03 2k9h n MET 46 Ca 0.04 -2.94 -0.30 0.00 -0.27 0.00 0.00 57.70 54.23 2k9h n MET 46 Cb 0.40 -1.13 -0.16 0.00 2.15 0.00 0.00 33.22 34.48 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 -2.28 1.94 0.82 1.12 1.01 -1.01 -4.11 120.40 117.88 2k9h s VAL 47 Ca 0.37 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 2k9h s VAL 47 Cb 0.38 -1.61 0.08 0.00 0.00 0.00 0.00 36.38 35.23 2k9h s VAL 47 CO -0.09 0.55 1.10 0.00 0.00 0.00 0.00 175.10 176.65 2k9h n ASP 49 N -3.69 0.73 0.05 0.00 8.00 -1.26 -3.96 116.55 116.42 2k9h n ASP 49 Ca 0.09 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.88 2k9h n ASP 49 Cb 0.53 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.15 0.84 1.68 2.53 0.31 -1.26 -4.83 118.33 115.45 2k9h n VAL 50 Ca 0.04 0.28 0.15 0.00 -0.01 0.00 0.00 64.34 64.80 2k9h n VAL 50 Cb 0.43 -1.32 0.69 0.00 -0.91 0.00 0.00 33.84 32.74 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 -0.37 -1.76 -1.74 0.00 -0.00 -1.25 -4.76 115.22 105.33 2k9h n HIS 52 Ca 0.20 0.01 -0.31 0.00 -0.00 0.00 0.00 57.72 57.62 2k9h n HIS 52 Cb 0.26 -1.71 0.03 0.00 -0.00 0.00 0.00 29.99 28.56 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 3.38 -0.68 4.41 5.65 -1.26 -4.62 115.29 119.91 2k9h s HIS 53 Ca 0.01 1.35 -0.06 0.00 0.25 0.00 0.00 55.06 56.61 2k9h s HIS 53 Cb -0.00 -2.80 0.18 0.00 -1.18 0.00 0.00 32.58 28.78 2k9h s HIS 53 CO 0.01 -0.94 0.53 -2.00 -0.65 0.00 0.00 174.74 171.69 2k9h s GLU 54 N -5.09 2.86 0.90 2.88 2.12 -1.26 -2.03 118.70 119.07 2k9h s GLU 54 Ca 0.57 -2.51 -0.12 0.00 0.36 0.00 0.00 54.97 53.26 2k9h s GLU 54 Cb -0.12 -3.93 0.07 0.00 0.26 0.00 0.00 34.13 30.40 2k9h s GLU 54 CO 0.54 -1.21 0.76 0.00 -0.54 0.00 0.00 175.26 174.82 2k9h h GLU 56 N -1.44 0.17 -4.10 0.00 4.57 -1.96 -3.43 114.58 108.39 2k9h h GLU 56 Ca -0.44 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.61 2k9h h GLU 56 Cb 1.29 -0.04 -0.16 0.00 -0.16 0.00 0.00 28.75 29.68 2k9h h GLU 56 CO 0.39 0.11 -0.62 0.95 -1.18 0.00 0.00 179.01 178.66 2k9h s THR 57 N -5.18 0.19 -0.93 0.32 -4.23 -1.26 -5.05 115.64 99.50 2k9h s THR 57 Ca -0.06 -1.53 0.20 0.00 -1.18 0.00 0.00 61.69 59.12 2k9h s THR 57 Cb 0.20 -1.26 0.17 0.00 1.34 0.00 0.00 72.50 72.96 2k9h s THR 57 CO 0.75 -0.84 1.62 0.00 -0.54 0.00 0.00 174.62 175.61 2k9h n ALA 58 N 0.36 1.86 -0.07 3.99 0.00 -1.26 -2.68 120.51 122.70 2k9h n ALA 58 Ca -0.16 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 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 -1.62 0.63 0.24 0.00 4.81 -1.26 -4.17 118.16 116.78 2k9h n LYS 59 Ca 0.04 0.46 0.09 0.00 -0.87 0.00 0.00 58.31 58.03 2k9h n LYS 59 Cb 0.23 -1.72 0.62 0.00 0.02 0.00 0.00 35.03 34.18 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 -0.66 0.00 -0.63 1.64 3.07 -1.90 -2.55 114.58 113.55 2k9h h GLU 60 Ca -0.40 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.58 2k9h h GLU 60 Cb 1.55 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.42 2k9h h GLU 60 CO -0.13 0.16 0.43 1.25 -1.40 0.00 0.00 179.01 179.31 2k9h h LEU 61 N 0.00 0.34 -1.10 1.33 5.85 -1.67 -1.17 115.31 118.88 2k9h h LEU 61 Ca -0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 2k9h h LEU 61 Cb 0.33 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2k9h h LEU 61 CO 0.02 0.19 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.00 2k9h h GLU 62 N 0.37 0.35 0.11 1.25 4.81 -1.64 -1.84 114.58 118.00 2k9h h GLU 62 Ca 0.30 -0.12 -0.27 0.00 -0.13 0.00 0.00 59.36 59.14 2k9h h GLU 62 Cb 0.67 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.04 2k9h h GLU 62 CO -0.08 0.57 -1.20 0.77 -0.73 0.00 0.00 179.01 178.34 2k9h h SER 63 N 0.32 0.58 0.47 1.04 0.02 -1.47 -3.27 113.55 111.24 2k9h h SER 63 Ca 0.05 -0.56 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 2k9h h SER 63 Cb 0.59 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2k9h h SER 63 CO 0.04 1.41 -0.51 -0.74 -1.14 0.00 0.00 176.83 175.89 2k9h h HIS 64 N 0.15 -1.43 -0.20 3.45 6.17 -0.94 -1.57 115.15 120.78 2k9h h HIS 64 Ca -0.15 0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.01 2k9h h HIS 64 Cb 1.89 0.56 -0.01 0.00 2.52 0.00 0.00 27.41 32.38 2k9h h HIS 64 CO 0.08 -0.67 0.14 0.07 0.71 0.00 0.00 177.93 178.26 2k9h h ARG 65 N -0.99 0.00 0.00 5.26 0.11 -1.49 -0.95 114.38 116.32 2k9h h ARG 65 Ca -0.06 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.96 2k9h h ARG 65 Cb 0.87 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.94 2k9h h ARG 65 CO -0.09 0.00 -0.32 1.96 0.10 0.00 0.00 179.97 181.63 2k9h h GLN 66 N 0.00 0.00 0.15 0.08 4.20 -1.55 -3.31 115.11 114.68 2k9h h GLN 66 Ca 0.09 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.45 2k9h h GLN 66 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2k9h h GLN 66 CO -0.00 0.31 -1.85 0.77 -0.67 0.00 0.00 178.83 177.39 2k9h h SER 67 N 0.00 0.49 -0.60 1.46 0.02 -0.20 -3.38 113.55 111.33 2k9h h SER 67 Ca -0.00 -0.87 0.06 0.00 -0.84 0.00 0.00 61.79 60.13 2k9h h SER 67 Cb 1.24 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 2k9h h SER 67 CO 0.04 1.76 0.30 0.00 -1.14 0.00 0.00 176.83 177.80 2k9h h ILE 69 N 0.56 0.26 -0.46 0.00 -0.00 -1.75 -0.18 117.51 115.95 2k9h h ILE 69 Ca 0.28 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 65.10 2k9h h ILE 69 Cb 0.21 1.03 0.00 0.00 -0.00 0.00 0.00 36.82 38.06 2k9h h ILE 69 CO -0.20 0.01 0.00 0.59 -0.00 0.00 0.00 178.15 178.55 2k9h n ASN 70 N -3.44 3.50 -1.48 2.19 3.02 -0.67 -4.90 115.26 113.49 2k9h n ASN 70 Ca -0.03 -1.98 -0.15 0.00 -0.03 0.00 0.00 54.58 52.40 2k9h n ASN 70 Cb 0.09 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 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 1.44 0.38 3.38 7.41 0.00 -0.08 -4.85 105.19 112.87 2k9h n GLY 71 Ca 0.20 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.20 1.40 0.13 1.61 0.74 -0.45 -0.93 119.66 117.95 2k9h s GLN 72 Ca 0.00 -1.47 -0.26 0.00 0.05 0.00 0.00 55.36 53.68 2k9h s GLN 72 Cb 0.00 -1.59 -0.07 0.00 1.10 0.00 0.00 33.01 32.45 2k9h s GLN 72 CO 0.00 0.33 0.81 0.00 -0.55 0.00 0.00 175.29 175.89 2k9h n PRO 74 N 2.14 0.18 0.00 0.00 -0.04 -1.26 -3.34 135.00 132.68 2k9h n PRO 74 Ca -0.03 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2k9h n PRO 74 Cb 0.49 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 -2.25 0.00 1.04 0.54 4.02 -1.26 -4.83 117.16 114.43 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 0.17 0.18 0.55 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 -1.46 -1.56 -1.80 0.00 2.81 -1.21 -4.99 117.12 108.91 2k9h n MET 77 Ca 0.07 1.02 -0.40 0.00 -1.81 0.00 0.00 57.70 56.59 2k9h n MET 77 Cb 0.33 -5.47 0.02 0.00 -0.71 0.00 0.00 33.22 27.39 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 -2.69 2.07 -0.03 2.03 2.01 -1.26 -4.65 115.64 113.12 2k9h s THR 78 Ca 0.00 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.13 2k9h s THR 78 Cb 0.00 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 2k9h s THR 78 CO 0.00 0.01 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.08 2k9h s ILE 79 N -1.22 1.86 0.02 1.82 1.01 -1.26 -1.28 121.20 122.14 2k9h s ILE 79 Ca 0.62 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 2k9h s ILE 79 Cb -0.43 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.48 2k9h s ILE 79 CO 0.55 0.52 0.03 1.07 0.00 0.00 0.00 174.94 177.11 2k9h n THR 80 N 2.69 0.00 -2.04 2.92 5.66 -0.11 -5.02 114.28 118.38 2k9h n THR 80 Ca -0.16 -0.07 -0.40 0.00 -3.05 0.00 0.00 64.05 60.37 2k9h n THR 80 Cb 0.52 0.05 -0.00 0.00 -1.55 0.00 0.00 70.33 69.35 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 -2.02 3.98 0.00 1.09 2.02 -1.26 -4.52 118.70 117.98 2k9h s GLU 81 Ca 0.01 2.18 -0.03 0.00 0.02 0.00 0.00 54.97 57.15 2k9h s GLU 81 Cb -0.00 -2.77 -0.15 0.00 0.10 0.00 0.00 34.13 31.31 2k9h s GLU 81 CO 0.01 -0.49 2.68 0.00 0.02 0.00 0.00 175.26 177.48 2k9h n ALA 82 N 0.16 4.95 -2.51 5.21 0.00 -1.26 -4.40 120.51 122.66 2k9h n ALA 82 Ca 0.03 -0.99 -0.23 0.00 0.00 0.00 0.00 53.44 52.25 2k9h n ALA 82 Cb 0.43 -1.86 -0.12 0.00 0.00 0.00 0.00 19.45 17.91 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 0.86 1.75 0.23 0.00 -4.23 -1.26 -4.87 115.64 108.12 2k9h s THR 83 Ca 0.36 -1.69 -0.07 0.00 -1.18 0.00 0.00 61.69 59.11 2k9h s THR 83 Cb 0.17 -1.67 0.19 0.00 1.34 0.00 0.00 72.50 72.53 2k9h s THR 83 CO 0.00 -0.16 1.84 -0.08 -0.54 0.00 0.00 174.62 175.68 2k9h h GLU 84 N 3.75 0.85 -1.00 3.99 4.81 -1.89 -0.35 114.58 124.74 2k9h h GLU 84 Ca -0.45 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2k9h h GLU 84 Cb 1.19 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.32 2k9h h GLU 84 CO 0.44 0.56 0.65 0.77 -0.73 0.00 0.00 179.01 180.71 2k9h h SER 85 N 0.88 1.09 0.35 1.04 0.02 -1.95 0.49 113.55 115.46 2k9h h SER 85 Ca 0.34 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.96 2k9h h SER 85 Cb 0.16 -0.25 0.03 0.00 0.14 0.00 0.00 62.40 62.48 2k9h h SER 85 CO -0.17 0.74 -1.44 0.00 -1.14 0.00 0.00 176.83 174.82 2k9h h ALA 86 N 1.41 -0.08 0.04 3.77 0.00 -1.75 -3.24 119.26 119.41 2k9h h ALA 86 Ca 0.40 -0.88 -0.28 0.00 0.00 0.00 0.00 54.91 54.15 2k9h h ALA 86 Cb 0.02 0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.99 2k9h h ALA 86 CO -0.13 0.78 -1.11 -0.07 0.00 0.00 0.00 179.25 178.72 2k9h h LEU 87 N 0.13 0.86 -1.14 0.00 3.38 -0.91 -2.45 115.31 115.18 2k9h h LEU 87 Ca -0.23 -0.73 -0.03 0.00 0.09 0.00 0.00 57.88 56.98 2k9h h LEU 87 Cb 2.12 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 2k9h h LEU 87 CO 0.26 1.53 0.26 1.56 0.09 0.00 0.00 178.44 182.14 2k9h h GLN 88 N 0.34 0.86 -0.69 1.13 4.20 -1.07 -0.54 115.11 119.34 2k9h h GLN 88 Ca -0.15 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 2k9h h GLN 88 Cb 1.77 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 29.36 2k9h h GLN 88 CO 0.21 0.69 0.31 0.00 -0.67 0.00 0.00 178.83 179.38 2k9h h ALA 89 N 1.43 0.89 0.65 3.87 0.00 -1.58 -0.85 119.26 123.67 2k9h h ALA 89 Ca 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2k9h h ALA 89 Cb 0.14 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2k9h h ALA 89 CO -0.02 0.46 -0.31 1.25 0.00 0.00 0.00 179.25 180.63 2k9h h HIS 90 N 0.96 -0.81 0.00 0.00 -0.00 -0.88 -3.11 115.15 111.31 2k9h h HIS 90 Ca 0.23 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 2k9h h HIS 90 Cb 0.14 0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.82 2k9h h HIS 90 CO 0.01 -0.50 0.00 1.88 -0.00 0.00 0.00 177.93 179.32 2k9h h TYR 91 N -0.90 0.00 0.00 5.26 0.05 -1.04 -1.75 116.97 118.60 2k9h h TYR 91 Ca -0.09 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 2k9h h TYR 91 Cb 0.68 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.42 2k9h h TYR 91 CO -0.03 0.00 -0.01 1.03 -1.05 0.00 0.00 178.16 178.11 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.87 -1.07 -3.14 113.55 114.08 2k9h h SER 92 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k9h h SER 92 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2k9h h SER 92 CO 0.00 0.01 0.00 2.30 -0.53 0.00 0.00 176.83 178.61 2k9h n ILE 93 N -3.12 0.00 -4.32 2.23 -5.35 -0.73 -5.03 119.36 103.03 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 0.19 1.08 -0.16 0.00 -1.74 0.00 0.00 39.64 39.01 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 4.41 0.83 0.11 0.00 4.76 -1.26 -4.70 118.16 122.30 2k9h n LYS 95 Ca -0.20 -0.81 0.10 0.00 -2.87 0.00 0.00 58.31 54.53 2k9h n LYS 95 Cb 0.51 -0.84 0.45 0.00 -1.84 0.00 0.00 35.03 33.30 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 -0.19 0.48 0.06 -0.35 4.77 -1.26 -3.18 117.00 117.33 2k9h n LEU 96 Ca 0.00 0.65 0.03 0.00 -0.03 0.00 0.00 56.01 56.66 2k9h n LEU 96 Cb 0.22 -0.62 0.18 0.00 -2.33 0.00 0.00 43.42 40.86 2k9h n LEU 96 CO 0.00 -0.61 0.62 0.35 -1.33 0.00 0.00 177.39 176.42 2k9h n THR 97 N -2.07 1.24 -2.30 -5.08 -2.24 -1.26 -1.93 114.28 100.64 2k9h n THR 97 Ca 0.01 0.59 0.02 0.00 -2.27 0.00 0.00 64.05 62.41 2k9h n THR 97 Cb 0.15 -1.59 0.01 0.00 -2.10 0.00 0.00 70.33 66.79 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 -1.34 0.82 0.00 3.38 0.00 -1.19 -4.80 105.19 102.05 2k9h n GLY 98 Ca -0.00 -0.51 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