#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 0.81 0.02 -5.12 0.00 -1.26 -5.02 105.19 94.62 2k9h n GLY 44 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.26 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 0.11 -1.13 1.61 3.41 -1.26 -2.40 113.62 113.95 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 -0.55 0.27 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.63 3.24 -4.83 4.33 1.56 -1.26 -4.98 117.12 113.56 2k9h n MET 46 Ca 0.02 -2.61 -0.25 0.00 -0.27 0.00 0.00 57.70 54.58 2k9h n MET 46 Cb 0.11 -1.67 -0.16 0.00 2.15 0.00 0.00 33.22 33.65 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 -1.75 1.39 0.68 1.12 1.01 -1.01 -4.14 120.40 117.70 2k9h s VAL 47 Ca 0.41 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 2k9h s VAL 47 Cb 0.26 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.48 2k9h s VAL 47 CO 0.19 0.40 1.26 0.00 0.00 0.00 0.00 175.10 176.94 2k9h n ASP 49 N -2.10 0.19 0.02 0.00 8.00 -1.26 -3.34 116.55 118.06 2k9h n ASP 49 Ca 0.15 0.16 -0.01 0.00 0.71 0.00 0.00 54.79 55.80 2k9h n ASP 49 Cb 0.48 -0.24 -0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.44 1.18 1.19 2.53 0.31 -1.26 -4.80 118.33 116.03 2k9h n VAL 50 Ca 0.08 0.34 0.13 0.00 -0.01 0.00 0.00 64.34 64.88 2k9h n VAL 50 Cb 0.33 -1.66 0.47 0.00 -0.91 0.00 0.00 33.84 32.06 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 -1.15 -1.83 -4.33 0.00 -0.00 -1.21 -4.73 115.22 101.96 2k9h n HIS 52 Ca 0.10 0.81 -0.23 0.00 0.46 0.00 0.00 57.72 58.86 2k9h n HIS 52 Cb 0.32 -3.08 -0.08 0.00 -0.12 0.00 0.00 29.99 27.02 2k9h n HIS 52 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k9h s HIS 53 N -3.27 2.61 0.85 1.57 5.65 -1.26 -4.75 115.29 116.68 2k9h s HIS 53 Ca 0.74 -0.26 -0.12 0.00 0.25 0.00 0.00 55.06 55.67 2k9h s HIS 53 Cb -0.40 -1.18 0.10 0.00 -1.18 0.00 0.00 32.58 29.92 2k9h s HIS 53 CO 0.91 0.63 1.18 -1.83 -0.65 0.00 0.00 174.74 174.98 2k9h s GLU 54 N -3.65 1.66 0.25 2.88 -1.05 -1.26 -1.31 118.70 116.23 2k9h s GLU 54 Ca 0.31 0.12 0.01 0.00 -0.15 0.00 0.00 54.97 55.27 2k9h s GLU 54 Cb -0.06 -1.91 -0.05 0.00 -0.44 0.00 0.00 34.13 31.67 2k9h s GLU 54 CO 0.19 -1.81 0.10 0.00 0.95 0.00 0.00 175.26 174.69 2k9h h GLU 56 N 2.41 0.97 -4.21 0.00 4.57 -1.94 -3.45 114.58 112.92 2k9h h GLU 56 Ca -0.38 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 57.59 2k9h h GLU 56 Cb 1.25 -0.22 -0.14 0.00 -0.16 0.00 0.00 28.75 29.48 2k9h h GLU 56 CO 0.60 0.64 -0.54 0.95 -1.18 0.00 0.00 179.01 179.48 2k9h s THR 57 N -6.00 0.11 -0.65 0.32 -4.23 -1.26 -5.05 115.64 98.88 2k9h s THR 57 Ca -0.12 -1.70 0.22 0.00 -1.18 0.00 0.00 61.69 58.91 2k9h s THR 57 Cb 0.21 -1.88 0.22 0.00 1.34 0.00 0.00 72.50 72.40 2k9h s THR 57 CO 0.80 -0.50 1.68 0.00 -0.54 0.00 0.00 174.62 176.06 2k9h n ALA 58 N -0.10 1.77 -0.05 3.99 0.00 -1.26 -2.66 120.51 122.19 2k9h n ALA 58 Ca -0.08 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 2k9h n ALA 58 Cb 0.63 -1.37 -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 -1.97 -3.35 116.57 115.00 2k9h h LYS 59 Ca 0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2k9h h LYS 59 Cb 0.39 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 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 -0.60 0.00 -0.39 1.90 3.07 -1.93 -2.69 114.58 113.94 2k9h h GLU 60 Ca -0.33 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.60 2k9h h GLU 60 Cb 1.56 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.45 2k9h h GLU 60 CO -0.06 0.00 0.27 1.25 -1.40 0.00 0.00 179.01 179.06 2k9h h LEU 61 N 0.00 0.18 -0.27 1.33 5.85 -1.64 -0.72 115.31 120.04 2k9h h LEU 61 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2k9h h LEU 61 Cb 0.24 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2k9h h LEU 61 CO 0.00 0.11 0.04 -0.08 -0.34 0.00 0.00 178.44 178.18 2k9h h GLU 62 N 0.20 0.44 -0.17 1.25 4.57 -1.70 -1.89 114.58 117.30 2k9h h GLU 62 Ca 0.18 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2k9h h GLU 62 Cb 0.44 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2k9h h GLU 62 CO -0.03 0.56 -0.02 0.77 -1.18 0.00 0.00 179.01 179.11 2k9h h SER 63 N 0.26 0.22 0.72 1.04 0.02 -1.45 -2.54 113.55 111.82 2k9h h SER 63 Ca 0.08 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2k9h h SER 63 Cb 0.33 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.82 2k9h h SER 63 CO 0.01 0.28 -0.34 -0.74 -1.14 0.00 0.00 176.83 174.89 2k9h h HIS 64 N 0.24 -0.89 -0.91 3.45 -0.00 -0.86 -2.90 115.15 113.28 2k9h h HIS 64 Ca 0.06 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2k9h h HIS 64 Cb 0.20 0.30 -0.05 0.00 -0.00 0.00 0.00 27.41 27.85 2k9h h HIS 64 CO 0.00 -0.56 0.60 0.07 -0.00 0.00 0.00 177.93 178.04 2k9h h ARG 65 N -1.20 1.14 0.00 5.26 0.11 -1.29 -0.44 114.38 117.97 2k9h h ARG 65 Ca -0.10 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.91 2k9h h ARG 65 Cb 0.74 -0.26 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2k9h h ARG 65 CO 0.16 0.76 0.00 -0.56 0.10 0.00 0.00 179.97 180.43 2k9h h GLN 66 N 1.18 0.00 0.06 0.08 3.07 -1.56 -2.35 115.11 115.59 2k9h h GLN 66 Ca 0.35 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.85 2k9h h GLN 66 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.49 2k9h h GLN 66 CO -0.10 0.00 -1.28 0.77 0.09 0.00 0.00 178.83 178.30 2k9h h SER 67 N 0.00 0.21 -0.65 0.06 0.02 -1.11 -3.39 113.55 108.70 2k9h h SER 67 Ca 0.00 -0.76 0.10 0.00 -0.84 0.00 0.00 61.79 60.29 2k9h h SER 67 Cb 0.43 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 2k9h h SER 67 CO 0.00 1.54 0.26 0.00 -1.14 0.00 0.00 176.83 177.49 2k9h h ILE 69 N 0.45 0.00 -0.23 0.00 6.09 -1.62 -0.42 117.51 121.78 2k9h h ILE 69 Ca 0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.82 2k9h h ILE 69 Cb 0.41 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.57 2k9h h ILE 69 CO -0.31 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.36 2k9h n ASN 70 N -2.95 2.58 -0.20 2.19 3.02 -0.52 -4.95 115.26 114.41 2k9h n ASN 70 Ca -0.03 -1.81 -0.03 0.00 -0.03 0.00 0.00 54.58 52.69 2k9h n ASN 70 Cb 0.14 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.57 0.59 3.75 7.41 0.00 -0.17 -4.80 105.19 112.56 2k9h n GLY 71 Ca 0.10 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.60 2.61 -0.10 1.61 0.74 -0.22 -0.76 119.66 121.95 2k9h s GLN 72 Ca 0.00 -1.27 -0.02 0.00 0.05 0.00 0.00 55.36 54.12 2k9h s GLN 72 Cb 0.00 -2.36 -0.03 0.00 1.10 0.00 0.00 33.01 31.71 2k9h s GLN 72 CO 0.00 0.31 -0.03 0.00 -0.55 0.00 0.00 175.29 175.02 2k9h s PRO 74 N -0.48 2.03 0.00 0.00 0.04 -1.26 -2.20 135.00 133.13 2k9h s PRO 74 Ca 0.08 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2k9h s PRO 74 Cb -0.12 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2k9h s PRO 74 CO 0.02 -1.86 0.00 0.66 0.04 0.00 0.00 177.00 175.86 2k9h n TYR 75 N -3.22 0.00 0.20 0.56 4.01 -1.26 -4.07 117.16 113.38 2k9h n TYR 75 Ca 0.11 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.96 2k9h n TYR 75 Cb 0.52 -0.04 -0.09 0.00 -0.31 0.00 0.00 39.34 39.42 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 -2.25 -1.75 -1.80 0.00 2.81 -0.94 -4.99 117.12 108.21 2k9h n MET 77 Ca -0.01 0.77 -0.39 0.00 -1.81 0.00 0.00 57.70 56.26 2k9h n MET 77 Cb 0.52 -5.15 0.03 0.00 -0.71 0.00 0.00 33.22 27.91 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 -1.70 2.09 0.01 2.03 2.01 -1.26 -4.68 115.64 114.14 2k9h s THR 78 Ca 0.00 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.15 2k9h s THR 78 Cb 0.00 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 2k9h s THR 78 CO 0.00 0.01 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.06 2k9h s ILE 79 N -1.25 1.94 0.00 1.82 1.01 -1.26 -1.56 121.20 121.90 2k9h s ILE 79 Ca 0.65 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2k9h s ILE 79 Cb -0.42 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2k9h s ILE 79 CO 0.52 0.43 0.00 1.07 0.00 0.00 0.00 174.94 176.97 2k9h n THR 80 N 2.16 0.00 -2.26 2.92 5.66 0.07 -5.01 114.28 117.81 2k9h n THR 80 Ca -0.16 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.48 2k9h n THR 80 Cb 0.52 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 -1.13 3.49 0.00 1.09 2.02 -1.26 -4.50 118.70 118.40 2k9h s GLU 81 Ca 0.00 1.66 0.11 0.00 0.02 0.00 0.00 54.97 56.76 2k9h s GLU 81 Cb 0.00 -2.13 0.65 0.00 0.10 0.00 0.00 34.13 32.75 2k9h s GLU 81 CO 0.00 -0.75 1.20 0.00 0.02 0.00 0.00 175.26 175.73 2k9h n ALA 82 N -1.04 2.28 -1.80 5.21 0.00 -1.26 -4.25 120.51 119.65 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 0.50 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 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 3.95 0.23 0.00 -4.23 -1.26 -4.81 115.64 107.52 2k9h s THR 83 Ca 0.16 1.26 -0.07 0.00 -1.18 0.00 0.00 61.69 61.87 2k9h s THR 83 Cb 0.07 -3.53 0.21 0.00 1.34 0.00 0.00 72.50 70.59 2k9h s THR 83 CO 0.13 -0.22 1.87 -0.08 -0.54 0.00 0.00 174.62 175.78 2k9h h GLU 84 N 1.82 1.01 -0.95 3.99 4.81 -1.89 -0.95 114.58 122.43 2k9h h GLU 84 Ca -0.49 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2k9h h GLU 84 Cb 1.21 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 2k9h h GLU 84 CO 0.60 0.67 0.63 0.77 -0.73 0.00 0.00 179.01 180.95 2k9h h SER 85 N 1.04 1.08 0.24 1.04 0.02 -1.94 0.13 113.55 115.16 2k9h h SER 85 Ca 0.35 -0.02 -0.28 0.00 -0.84 0.00 0.00 61.79 60.99 2k9h h SER 85 Cb 0.05 -0.27 0.02 0.00 0.14 0.00 0.00 62.40 62.35 2k9h h SER 85 CO -0.13 0.77 -1.19 0.00 -1.14 0.00 0.00 176.83 175.14 2k9h h ALA 86 N 1.42 0.08 -0.11 3.77 0.00 -1.75 -3.09 119.26 119.58 2k9h h ALA 86 Ca 0.35 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2k9h h ALA 86 Cb -0.12 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k9h h ALA 86 CO -0.08 0.75 -0.11 -0.07 0.00 0.00 0.00 179.25 179.74 2k9h h LEU 87 N 0.24 0.28 -1.39 0.00 3.38 -0.97 -2.94 115.31 113.92 2k9h h LEU 87 Ca -0.16 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.33 2k9h h LEU 87 Cb 1.87 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 2k9h h LEU 87 CO 0.22 0.72 0.42 1.56 0.09 0.00 0.00 178.44 181.44 2k9h h GLN 88 N -0.15 0.81 -0.84 1.13 4.20 -1.11 -0.54 115.11 118.61 2k9h h GLN 88 Ca 0.02 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2k9h h GLN 88 Cb 0.64 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 2k9h h GLN 88 CO 0.03 0.53 0.52 0.00 -0.67 0.00 0.00 178.83 179.24 2k9h h ALA 89 N 1.61 1.33 -0.07 3.87 0.00 -1.50 -1.00 119.26 123.50 2k9h h ALA 89 Ca 0.24 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2k9h h ALA 89 Cb -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.39 2k9h h ALA 89 CO -0.05 0.59 -0.23 1.25 0.00 0.00 0.00 179.25 180.80 2k9h h HIS 90 N 1.15 0.36 0.00 0.00 -0.00 -1.12 -3.23 115.15 112.32 2k9h h HIS 90 Ca 0.30 -0.15 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2k9h h HIS 90 Cb -0.07 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.28 2k9h h HIS 90 CO 0.00 0.85 -0.02 1.88 -0.00 0.00 0.00 177.93 180.65 2k9h h TYR 91 N -0.23 0.00 0.00 5.26 0.05 -0.93 0.11 116.97 121.22 2k9h h TYR 91 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2k9h h TYR 91 Cb 0.86 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.60 2k9h h TYR 91 CO 0.13 0.02 0.00 1.03 -1.05 0.00 0.00 178.16 178.28 2k9h h SER 92 N 0.00 0.00 0.07 3.88 0.87 -1.21 -3.28 113.55 113.89 2k9h h SER 92 Ca -0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 2k9h h SER 92 Cb 0.23 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.13 2k9h h SER 92 CO 0.00 0.00 -2.31 -0.38 -0.53 0.00 0.00 176.83 173.62 2k9h n ILE 93 N -3.04 1.49 -3.79 2.23 2.08 0.08 -5.03 119.36 113.38 2k9h n ILE 93 Ca 0.02 -0.73 -0.33 0.00 0.56 0.00 0.00 62.75 62.27 2k9h n ILE 93 Cb 0.39 -0.99 -0.05 0.00 -0.75 0.00 0.00 39.64 38.25 2k9h n ILE 93 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k9h n LYS 95 N 0.65 0.00 0.00 0.00 4.76 -1.26 -4.83 118.16 117.49 2k9h n LYS 95 Ca -0.08 -0.32 0.14 0.00 -2.87 0.00 0.00 58.31 55.18 2k9h n LYS 95 Cb 0.52 -0.43 0.58 0.00 -1.84 0.00 0.00 35.03 33.86 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 0.00 0.32 0.26 -0.35 4.32 -1.26 -4.44 117.00 115.84 2k9h n LEU 96 Ca 0.00 0.15 0.08 0.00 -0.02 0.00 0.00 56.01 56.21 2k9h n LEU 96 Cb 0.44 -0.27 0.41 0.00 -1.62 0.00 0.00 43.42 42.38 2k9h n LEU 96 CO 0.00 0.06 0.95 0.71 -1.22 0.00 0.00 177.39 177.89 2k9h h THR 97 N 0.29 0.00 -0.02 -5.08 1.35 -1.90 -1.96 112.91 105.59 2k9h h THR 97 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.70 2k9h h THR 97 Cb 0.40 0.34 -0.29 0.00 -1.73 0.00 0.00 68.15 66.87 2k9h h THR 97 CO 0.00 0.00 -0.75 0.61 -0.25 0.00 0.00 175.52 175.13 2k9h n GLY 98 N -1.29 0.89 0.00 5.82 0.00 -1.26 -4.56 105.19 104.79 2k9h n GLY 98 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2k9h n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36