#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 -0.37 0.00 3.03 0.00 -1.26 -5.05 107.32 103.67 2k9h s GLY 44 Ca 0.00 1.35 0.21 0.00 0.00 0.00 0.00 44.72 46.28 2k9h s GLY 44 CO 0.00 0.46 1.66 -1.14 0.00 0.00 0.00 173.10 174.08 2k9h n SER 45 N -0.14 0.00 -0.49 1.64 3.41 -1.26 -3.54 113.62 113.23 2k9h n SER 45 Ca -0.04 0.06 0.07 0.00 -0.26 0.00 0.00 58.87 58.70 2k9h n SER 45 Cb 0.60 -0.31 0.19 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.31 1.46 -5.20 4.33 1.56 -1.26 -5.00 117.12 111.70 2k9h n MET 46 Ca 0.09 -3.08 -0.31 0.00 -0.27 0.00 0.00 57.70 54.13 2k9h n MET 46 Cb 0.18 -1.54 -0.17 0.00 2.15 0.00 0.00 33.22 33.84 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 -3.05 2.00 0.33 1.12 1.01 -1.23 -3.93 120.40 116.66 2k9h s VAL 47 Ca 0.36 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2k9h s VAL 47 Cb 0.35 -1.72 -0.10 0.00 0.00 0.00 0.00 36.38 34.90 2k9h s VAL 47 CO -0.05 0.55 1.33 0.00 0.00 0.00 0.00 175.10 176.93 2k9h n ASP 49 N 0.81 0.11 -0.05 0.00 9.92 -1.26 -2.22 116.55 123.86 2k9h n ASP 49 Ca 0.00 0.52 -0.09 0.00 -0.53 0.00 0.00 54.79 54.69 2k9h n ASP 49 Cb 0.41 -0.55 -0.04 0.00 -0.64 0.00 0.00 41.12 40.31 2k9h n ASP 49 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2k9h n VAL 50 N -1.62 0.56 0.75 2.53 0.31 -1.26 -4.79 118.33 114.81 2k9h n VAL 50 Ca 0.04 -0.17 0.09 0.00 -0.01 0.00 0.00 64.34 64.30 2k9h n VAL 50 Cb 0.23 -1.32 0.09 0.00 -0.91 0.00 0.00 33.84 31.92 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 1.07 -1.62 -4.40 0.00 8.25 -0.94 -4.64 115.22 112.95 2k9h n HIS 52 Ca 0.11 0.48 -0.24 0.00 -0.26 0.00 0.00 57.72 57.81 2k9h n HIS 52 Cb 0.48 -2.19 -0.09 0.00 1.12 0.00 0.00 29.99 29.30 2k9h n HIS 52 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k9h s HIS 53 N -2.88 2.48 0.90 4.41 5.65 -1.26 -4.82 115.29 119.77 2k9h s HIS 53 Ca 0.50 -0.36 -0.12 0.00 0.25 0.00 0.00 55.06 55.33 2k9h s HIS 53 Cb -0.28 -1.24 0.13 0.00 -1.18 0.00 0.00 32.58 30.01 2k9h s HIS 53 CO 0.61 0.60 1.13 -1.83 -0.65 0.00 0.00 174.74 174.60 2k9h s GLU 54 N -3.63 1.25 0.16 2.88 -1.05 -1.26 -1.36 118.70 115.69 2k9h s GLU 54 Ca 0.32 0.37 0.05 0.00 -0.15 0.00 0.00 54.97 55.56 2k9h s GLU 54 Cb -0.03 -1.85 -0.04 0.00 -0.44 0.00 0.00 34.13 31.77 2k9h s GLU 54 CO 0.18 -2.14 -0.11 0.00 0.95 0.00 0.00 175.26 174.14 2k9h h GLU 56 N 2.74 0.13 -4.16 0.00 4.57 -1.96 -3.44 114.58 112.45 2k9h h GLU 56 Ca -0.37 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 57.67 2k9h h GLU 56 Cb 1.20 -0.02 -0.16 0.00 -0.16 0.00 0.00 28.75 29.61 2k9h h GLU 56 CO 0.63 0.22 -0.65 0.95 -1.18 0.00 0.00 179.01 178.97 2k9h s THR 57 N -4.86 0.20 -0.75 0.32 -4.23 -1.26 -5.05 115.64 100.01 2k9h s THR 57 Ca -0.05 -1.63 0.21 0.00 -1.18 0.00 0.00 61.69 59.03 2k9h s THR 57 Cb 0.16 -1.34 0.20 0.00 1.34 0.00 0.00 72.50 72.86 2k9h s THR 57 CO 0.70 -0.90 1.64 0.00 -0.54 0.00 0.00 174.62 175.52 2k9h n ALA 58 N 0.29 1.77 -0.05 3.99 0.00 -1.26 -2.78 120.51 122.46 2k9h n ALA 58 Ca -0.15 0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 2k9h n ALA 58 Cb 0.60 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 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 0.12 0.00 0.00 3.64 -1.98 -3.36 116.57 114.99 2k9h h LYS 59 Ca 0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2k9h h LYS 59 Cb 0.36 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 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 -0.52 0.00 -0.64 1.90 4.39 -1.94 -2.94 114.58 114.83 2k9h h GLU 60 Ca -0.38 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.44 2k9h h GLU 60 Cb 1.64 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.25 2k9h h GLU 60 CO -0.07 0.00 0.43 1.25 -1.16 0.00 0.00 179.01 179.46 2k9h h LEU 61 N 0.00 0.33 -1.05 1.33 5.85 -1.66 -0.47 115.31 119.64 2k9h h LEU 61 Ca 0.00 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 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 0.00 0.19 -0.29 -0.08 -0.34 0.00 0.00 178.44 177.92 2k9h h GLU 62 N 0.36 0.31 0.04 1.25 4.81 -1.75 -2.29 114.58 117.31 2k9h h GLU 62 Ca 0.30 -0.12 -0.22 0.00 -0.13 0.00 0.00 59.36 59.19 2k9h h GLU 62 Cb 0.69 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2k9h h GLU 62 CO -0.08 0.58 -1.00 0.77 -0.73 0.00 0.00 179.01 178.55 2k9h h SER 63 N 0.28 0.30 0.64 1.04 0.02 -1.36 -3.19 113.55 111.27 2k9h h SER 63 Ca 0.04 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 2k9h h SER 63 Cb 0.66 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2k9h h SER 63 CO 0.05 1.13 -0.43 -0.74 -1.14 0.00 0.00 176.83 175.70 2k9h h HIS 64 N 0.10 -1.16 -0.98 3.45 6.17 -0.84 -1.55 115.15 120.34 2k9h h HIS 64 Ca -0.07 -0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.10 2k9h h HIS 64 Cb 1.68 0.42 -0.08 0.00 2.52 0.00 0.00 27.41 31.96 2k9h h HIS 64 CO 0.04 -0.64 0.62 0.07 0.71 0.00 0.00 177.93 178.73 2k9h h ARG 65 N -1.02 1.00 0.00 5.26 0.11 -1.54 -0.19 114.38 117.99 2k9h h ARG 65 Ca -0.08 -0.06 -0.04 0.00 0.10 0.00 0.00 59.98 59.90 2k9h h ARG 65 Cb 0.84 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 2k9h h ARG 65 CO 0.05 0.66 -0.21 1.96 0.10 0.00 0.00 179.97 182.54 2k9h h GLN 66 N 1.03 0.00 0.07 0.08 4.20 -1.51 -1.88 115.11 117.09 2k9h h GLN 66 Ca 0.46 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.97 2k9h h GLN 66 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2k9h h GLN 66 CO -0.23 0.21 -1.07 0.77 -0.67 0.00 0.00 178.83 177.84 2k9h h SER 67 N 0.00 0.22 -0.44 1.46 0.02 -0.27 -3.37 113.55 111.18 2k9h h SER 67 Ca -0.00 -0.81 0.05 0.00 -0.84 0.00 0.00 61.79 60.20 2k9h h SER 67 Cb 0.63 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 2k9h h SER 67 CO 0.03 1.45 0.16 0.00 -1.14 0.00 0.00 176.83 177.33 2k9h h ILE 69 N 0.33 0.00 -0.26 0.00 6.09 -1.52 -0.60 117.51 121.54 2k9h h ILE 69 Ca 0.20 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.69 2k9h h ILE 69 Cb 0.19 0.86 0.00 0.00 0.47 0.00 0.00 36.82 38.34 2k9h h ILE 69 CO -0.20 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.47 2k9h n ASN 70 N -2.94 2.70 -0.94 2.19 3.02 -0.71 -4.92 115.26 113.66 2k9h n ASN 70 Ca -0.03 -1.84 -0.08 0.00 -0.03 0.00 0.00 54.58 52.60 2k9h n ASN 70 Cb 0.14 -0.17 -0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.63 0.03 3.33 7.41 0.00 -0.23 -4.84 105.19 111.52 2k9h n GLY 71 Ca 0.11 -0.54 -0.18 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 -4.41 1.29 -0.01 1.61 0.74 -0.26 -1.05 119.66 117.57 2k9h s GLN 72 Ca 0.00 -1.56 -0.15 0.00 0.05 0.00 0.00 55.36 53.71 2k9h s GLN 72 Cb -0.00 -1.07 -0.06 0.00 1.10 0.00 0.00 33.01 32.99 2k9h s GLN 72 CO 0.00 0.18 0.40 0.00 -0.55 0.00 0.00 175.29 175.31 2k9h n PRO 74 N 1.93 0.10 0.02 0.00 -0.04 -1.26 -3.15 135.00 132.59 2k9h n PRO 74 Ca -0.14 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2k9h n PRO 74 Cb 0.52 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.93 -0.29 0.82 0.54 4.02 -1.26 -4.85 117.16 114.21 2k9h n TYR 75 Ca 0.01 0.05 0.13 0.00 -0.01 0.00 0.00 57.90 58.08 2k9h n TYR 75 Cb 0.11 0.29 0.52 0.00 -0.02 0.00 0.00 39.34 40.24 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 -1.85 -1.46 -1.75 0.00 2.81 -1.19 -4.97 117.12 108.71 2k9h n MET 77 Ca 0.06 0.92 -0.42 0.00 -1.81 0.00 0.00 57.70 56.46 2k9h n MET 77 Cb 0.38 -5.21 -0.02 0.00 -0.71 0.00 0.00 33.22 27.66 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 0.96 -3.79 2.03 -1.04 -1.26 -4.59 114.28 104.53 2k9h n THR 78 Ca -0.15 -0.24 -0.37 0.00 -2.04 0.00 0.00 64.05 61.25 2k9h n THR 78 Cb 0.54 -1.98 -0.06 0.00 -1.82 0.00 0.00 70.33 67.01 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 0.07 5.41 0.30 12.58 -1.09 -1.26 -2.87 121.20 134.33 2k9h s ILE 79 Ca 0.65 0.34 -0.06 0.00 -2.23 0.00 0.00 60.65 59.34 2k9h s ILE 79 Cb -0.49 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2k9h s ILE 79 CO 0.48 0.60 0.50 1.07 -1.23 0.00 0.00 174.94 176.36 2k9h n THR 80 N 2.05 0.00 -2.13 2.92 5.66 -0.21 -5.02 114.28 117.54 2k9h n THR 80 Ca -0.18 -1.15 -0.37 0.00 -3.05 0.00 0.00 64.05 59.29 2k9h n THR 80 Cb 0.54 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.17 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 -2.39 3.60 0.00 1.09 2.02 -1.26 -4.48 118.70 117.27 2k9h s GLU 81 Ca 0.19 1.90 0.12 0.00 0.02 0.00 0.00 54.97 57.20 2k9h s GLU 81 Cb -0.02 -2.37 0.69 0.00 0.10 0.00 0.00 34.13 32.52 2k9h s GLU 81 CO 0.14 -0.72 1.15 0.00 0.02 0.00 0.00 175.26 175.85 2k9h n ALA 82 N -0.62 2.15 -1.80 5.21 0.00 -1.26 -4.22 120.51 119.97 2k9h n ALA 82 Ca 0.08 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 2k9h n ALA 82 Cb 0.47 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 3.89 0.20 0.00 -4.23 -1.26 -4.80 115.64 107.43 2k9h s THR 83 Ca 0.17 1.22 -0.10 0.00 -1.18 0.00 0.00 61.69 61.80 2k9h s THR 83 Cb 0.08 -3.52 0.13 0.00 1.34 0.00 0.00 72.50 70.53 2k9h s THR 83 CO 0.13 -0.21 1.83 -0.08 -0.54 0.00 0.00 174.62 175.75 2k9h h GLU 84 N 1.78 0.74 -0.91 3.99 4.81 -1.88 -1.05 114.58 122.05 2k9h h GLU 84 Ca -0.49 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2k9h h GLU 84 Cb 1.21 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 2k9h h GLU 84 CO 0.60 0.49 0.60 0.77 -0.73 0.00 0.00 179.01 180.73 2k9h h SER 85 N 0.76 1.06 0.27 1.04 0.02 -1.93 0.20 113.55 114.97 2k9h h SER 85 Ca 0.27 -0.03 -0.25 0.00 -0.84 0.00 0.00 61.79 60.94 2k9h h SER 85 Cb 0.07 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.35 2k9h h SER 85 CO -0.13 0.77 -1.03 0.00 -1.14 0.00 0.00 176.83 175.31 2k9h h ALA 86 N 1.42 0.25 -0.31 3.77 0.00 -1.76 -2.86 119.26 119.76 2k9h h ALA 86 Ca 0.33 -0.73 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2k9h h ALA 86 Cb -0.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k9h h ALA 86 CO -0.07 0.79 -0.42 -0.07 0.00 0.00 0.00 179.25 179.48 2k9h h LEU 87 N 0.25 0.91 -1.11 0.00 3.38 -0.94 -2.80 115.31 115.01 2k9h h LEU 87 Ca -0.11 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 2k9h h LEU 87 Cb 1.68 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 2k9h h LEU 87 CO 0.18 1.23 0.36 1.56 0.09 0.00 0.00 178.44 181.87 2k9h h GLN 88 N 0.62 0.98 -0.50 1.13 4.20 -1.05 -0.66 115.11 119.84 2k9h h GLN 88 Ca 0.04 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2k9h h GLN 88 Cb 1.02 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 2k9h h GLN 88 CO 0.10 0.74 0.26 0.00 -0.67 0.00 0.00 178.83 179.26 2k9h h ALA 89 N 1.41 1.52 0.17 3.87 0.00 -1.40 -0.86 119.26 123.98 2k9h h ALA 89 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2k9h h ALA 89 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2k9h h ALA 89 CO -0.04 0.39 -0.08 1.25 0.00 0.00 0.00 179.25 180.77 2k9h h HIS 90 N 0.69 -0.22 0.00 0.00 -0.00 -1.10 -3.31 115.15 111.21 2k9h h HIS 90 Ca 0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 2k9h h HIS 90 Cb 0.04 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 2k9h h HIS 90 CO 0.00 0.21 0.00 1.88 -0.00 0.00 0.00 177.93 180.02 2k9h h TYR 91 N -0.86 0.00 0.00 5.26 0.05 -1.05 -1.63 116.97 118.74 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 -1.24 -3.10 113.55 113.10 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 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 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 -3.10 0.00 -4.35 3.27 -5.35 -0.67 -5.04 119.36 104.13 2k9h n ILE 93 Ca -0.02 -0.47 -0.34 0.00 -0.27 0.00 0.00 62.75 61.66 2k9h n ILE 93 Cb 0.15 1.02 -0.12 0.00 -1.74 0.00 0.00 39.64 38.95 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 3.71 1.07 0.04 0.00 4.76 -1.26 -4.76 118.16 121.72 2k9h n LYS 95 Ca -0.17 -1.04 0.09 0.00 -2.87 0.00 0.00 58.31 54.32 2k9h n LYS 95 Cb 0.52 -0.74 0.38 0.00 -1.84 0.00 0.00 35.03 33.35 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 -0.27 0.21 -0.35 -0.35 4.32 -1.26 -4.33 117.00 114.96 2k9h n LEU 96 Ca 0.01 0.55 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 2k9h n LEU 96 Cb 0.45 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2k9h n LEU 96 CO 0.00 -0.32 0.00 0.35 -1.22 0.00 0.00 177.39 176.20 2k9h n THR 97 N -1.73 0.00 -1.50 -5.08 -2.24 -1.26 -1.33 114.28 101.14 2k9h n THR 97 Ca 0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 2k9h n THR 97 Cb 0.20 -0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.13 -0.10 0.31 3.38 0.00 -1.26 -3.84 105.19 103.82 2k9h n GLY 98 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2k9h n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86