#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 0.00 0.35 3.03 0.00 -1.26 -4.94 105.19 102.37 2k9h n GLY 44 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.00 -0.19 1.61 4.64 -2.04 -2.72 113.55 114.85 2k9h h SER 45 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2k9h h SER 45 Cb 0.00 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.86 2k9h h SER 45 CO 0.00 0.00 -0.77 0.80 -0.87 0.00 0.00 176.83 175.99 2k9h n MET 46 N -4.06 1.60 -4.89 4.77 1.56 -1.26 -5.01 117.12 109.82 2k9h n MET 46 Ca 0.04 -3.17 -0.27 0.00 -0.27 0.00 0.00 57.70 54.04 2k9h n MET 46 Cb 0.41 -1.34 -0.16 0.00 2.15 0.00 0.00 33.22 34.28 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 -2.75 1.50 0.47 1.12 1.01 -1.03 -4.18 120.40 116.55 2k9h s VAL 47 Ca 0.38 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 2k9h s VAL 47 Cb 0.38 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 2k9h s VAL 47 CO -0.07 0.43 1.31 0.00 0.00 0.00 0.00 175.10 176.77 2k9h n ASP 49 N -0.45 0.59 0.00 0.00 2.03 -1.26 -3.25 116.55 114.21 2k9h n ASP 49 Ca 0.07 0.64 0.00 0.00 0.52 0.00 0.00 54.79 56.02 2k9h n ASP 49 Cb 0.45 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 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 -2.14 0.00 1.03 5.18 0.31 -1.26 -4.82 118.33 116.62 2k9h n VAL 50 Ca 0.02 0.10 0.10 0.00 -0.01 0.00 0.00 64.34 64.55 2k9h n VAL 50 Cb 0.23 -1.03 0.52 0.00 -0.91 0.00 0.00 33.84 32.65 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 -1.20 -1.73 -4.46 0.00 8.25 -1.20 -4.63 115.22 110.25 2k9h n HIS 52 Ca 0.11 0.43 -0.25 0.00 -0.26 0.00 0.00 57.72 57.75 2k9h n HIS 52 Cb 0.13 -2.67 -0.10 0.00 1.12 0.00 0.00 29.99 28.47 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 -2.87 2.42 0.77 4.41 5.65 -1.26 -4.80 115.29 119.61 2k9h s HIS 53 Ca 0.39 -0.41 -0.11 0.00 0.25 0.00 0.00 55.06 55.17 2k9h s HIS 53 Cb -0.21 -1.27 0.06 0.00 -1.18 0.00 0.00 32.58 29.97 2k9h s HIS 53 CO 0.48 0.60 1.14 -1.83 -0.65 0.00 0.00 174.74 174.49 2k9h s GLU 54 N -3.61 2.25 0.37 2.88 -1.05 -1.26 -0.93 118.70 117.36 2k9h s GLU 54 Ca 0.32 0.18 0.08 0.00 -0.15 0.00 0.00 54.97 55.41 2k9h s GLU 54 Cb -0.01 -1.99 -0.07 0.00 -0.44 0.00 0.00 34.13 31.62 2k9h s GLU 54 CO 0.17 -1.39 -0.03 0.00 0.95 0.00 0.00 175.26 174.96 2k9h h GLU 56 N 1.87 0.59 -4.20 0.00 4.57 -1.94 -3.44 114.58 112.02 2k9h h GLU 56 Ca -0.43 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 57.58 2k9h h GLU 56 Cb 1.25 -0.13 -0.15 0.00 -0.16 0.00 0.00 28.75 29.56 2k9h h GLU 56 CO 0.74 0.39 -0.59 0.95 -1.18 0.00 0.00 179.01 179.32 2k9h s THR 57 N -5.58 0.15 -0.32 0.32 -4.23 -1.26 -5.05 115.64 99.68 2k9h s THR 57 Ca -0.09 -1.71 0.27 0.00 -1.18 0.00 0.00 61.69 58.98 2k9h s THR 57 Cb 0.21 -1.70 0.31 0.00 1.34 0.00 0.00 72.50 72.65 2k9h s THR 57 CO 0.78 -0.70 1.80 0.00 -0.54 0.00 0.00 174.62 175.96 2k9h h ALA 58 N 2.94 1.00 0.06 3.99 0.00 -1.95 -2.95 119.26 122.34 2k9h h ALA 58 Ca -0.34 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2k9h h ALA 58 Cb 1.18 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k9h h ALA 58 CO 0.60 0.00 -0.36 -0.22 0.00 0.00 0.00 179.25 179.27 2k9h h LYS 59 N 0.00 0.14 0.00 0.00 3.64 -1.98 -3.31 116.57 115.05 2k9h h LYS 59 Ca 0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2k9h h LYS 59 Cb 0.50 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2k9h h LYS 59 CO 0.00 1.11 0.00 0.39 -2.27 0.00 0.00 179.45 178.68 2k9h n GLU 60 N -4.40 0.42 -0.03 1.90 -0.58 -1.22 -3.58 120.64 113.15 2k9h n GLU 60 Ca -0.12 0.05 0.11 0.00 -0.42 0.00 0.00 57.16 56.78 2k9h n GLU 60 Cb 0.63 -1.50 0.52 0.00 -0.57 0.00 0.00 31.44 30.52 2k9h n GLU 60 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k9h h LEU 61 N 0.00 0.32 0.04 -4.62 5.85 -1.61 -0.81 115.31 114.48 2k9h h LEU 61 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k9h h LEU 61 Cb 0.18 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2k9h h LEU 61 CO 0.00 0.20 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.20 2k9h h GLU 62 N 0.36 -0.06 -0.76 1.25 4.57 -1.81 -2.53 114.58 115.60 2k9h h GLU 62 Ca 0.23 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.53 2k9h h GLU 62 Cb 0.43 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 2k9h h GLU 62 CO -0.05 0.23 0.50 0.77 -1.18 0.00 0.00 179.01 179.28 2k9h h SER 63 N -0.34 0.53 0.94 1.04 0.02 -1.59 -1.56 113.55 112.58 2k9h h SER 63 Ca -0.01 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 2k9h h SER 63 Cb 0.31 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.77 2k9h h SER 63 CO 0.01 0.29 -0.45 -0.74 -1.14 0.00 0.00 176.83 174.81 2k9h h HIS 64 N 0.57 -1.16 -0.70 3.45 -0.00 -1.02 -2.39 115.15 113.89 2k9h h HIS 64 Ca 0.37 -0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.71 2k9h h HIS 64 Cb 0.63 0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 28.39 2k9h h HIS 64 CO -0.00 -0.72 0.47 0.07 -0.00 0.00 0.00 177.93 177.74 2k9h h ARG 65 N -1.32 0.93 0.00 5.26 0.11 -1.07 -0.44 114.38 117.84 2k9h h ARG 65 Ca -0.13 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.90 2k9h h ARG 65 Cb 0.96 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2k9h h ARG 65 CO 0.21 0.61 0.00 1.96 0.10 0.00 0.00 179.97 182.85 2k9h h GLN 66 N 0.95 0.00 0.07 0.08 1.08 -1.31 -1.99 115.11 114.00 2k9h h GLN 66 Ca 0.26 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.17 2k9h h GLN 66 Cb -0.11 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 2k9h h GLN 66 CO -0.06 0.00 -1.52 0.77 -0.95 0.00 0.00 178.83 177.07 2k9h h SER 67 N 0.00 0.24 -0.63 1.46 0.02 -0.71 -3.38 113.55 110.54 2k9h h SER 67 Ca 0.00 -0.76 0.07 0.00 -0.84 0.00 0.00 61.79 60.26 2k9h h SER 67 Cb 0.41 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 2k9h h SER 67 CO 0.00 1.64 0.32 0.00 -1.14 0.00 0.00 176.83 177.65 2k9h h ILE 69 N 0.58 0.00 -0.30 0.00 6.09 -1.56 -0.46 117.51 121.85 2k9h h ILE 69 Ca 0.30 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.79 2k9h h ILE 69 Cb 0.25 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.46 2k9h h ILE 69 CO -0.22 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.45 2k9h n ASN 70 N -2.97 2.86 -0.74 2.19 3.02 -0.63 -4.88 115.26 114.11 2k9h n ASN 70 Ca -0.03 -1.87 -0.08 0.00 -0.03 0.00 0.00 54.58 52.57 2k9h n ASN 70 Cb 0.09 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 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 0.79 0.63 3.41 7.41 0.00 -0.18 -4.75 105.19 112.50 2k9h n GLY 71 Ca 0.13 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.35 1.50 -0.04 1.61 0.74 -0.52 -1.48 119.66 118.12 2k9h s GLN 72 Ca 0.00 -1.66 -0.14 0.00 0.05 0.00 0.00 55.36 53.61 2k9h s GLN 72 Cb 0.00 -1.48 -0.05 0.00 1.10 0.00 0.00 33.01 32.57 2k9h s GLN 72 CO 0.00 0.27 0.38 0.00 -0.55 0.00 0.00 175.29 175.39 2k9h s PRO 74 N -0.74 3.12 0.00 0.00 0.04 -1.26 -2.25 135.00 133.91 2k9h s PRO 74 Ca 0.22 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2k9h s PRO 74 Cb -0.16 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2k9h s PRO 74 CO 0.11 -1.11 0.00 0.66 0.04 0.00 0.00 177.00 176.70 2k9h n TYR 75 N -1.32 0.00 0.16 0.56 4.01 -1.26 -4.05 117.16 115.26 2k9h n TYR 75 Ca 0.12 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.90 2k9h n TYR 75 Cb 0.48 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.70 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 -3.37 -1.63 -1.75 0.00 2.81 -0.95 -5.00 117.12 107.22 2k9h n MET 77 Ca 0.01 0.71 -0.41 0.00 -1.81 0.00 0.00 57.70 56.20 2k9h n MET 77 Cb 0.62 -5.05 0.00 0.00 -0.71 0.00 0.00 33.22 28.08 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 -2.22 2.25 -4.94 2.03 -1.04 -1.26 -4.62 114.28 104.49 2k9h n THR 78 Ca -0.07 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.15 2k9h n THR 78 Cb 0.51 -1.83 -0.15 0.00 -1.82 0.00 0.00 70.33 67.04 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 -1.14 1.92 0.00 12.58 1.01 -1.26 -0.91 121.20 133.40 2k9h s ILE 79 Ca 0.56 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2k9h s ILE 79 Cb -0.49 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.35 2k9h s ILE 79 CO 0.61 0.38 0.00 1.07 0.00 0.00 0.00 174.94 177.01 2k9h n THR 80 N 2.05 0.00 -3.77 2.92 5.66 -0.55 -5.02 114.28 115.58 2k9h n THR 80 Ca -0.16 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.73 2k9h n THR 80 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.00 0.88 0.00 1.09 0.41 -1.25 -5.00 118.70 114.84 2k9h s GLU 81 Ca 0.00 -0.73 0.24 0.00 -0.41 0.00 0.00 54.97 54.07 2k9h s GLU 81 Cb 0.00 0.37 1.41 0.00 -1.78 0.00 0.00 34.13 34.14 2k9h s GLU 81 CO 0.00 -0.30 1.82 0.00 -0.49 0.00 0.00 175.26 176.29 2k9h n ALA 82 N 0.14 2.49 -1.78 5.21 0.00 -1.26 -4.36 120.51 120.94 2k9h n ALA 82 Ca -0.17 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.76 2k9h n ALA 82 Cb 0.62 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 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 3.81 0.30 0.00 -4.23 -1.26 -4.83 115.64 107.43 2k9h s THR 83 Ca 0.35 1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 62.27 2k9h s THR 83 Cb 0.16 -3.75 0.26 0.00 1.34 0.00 0.00 72.50 70.51 2k9h s THR 83 CO 0.27 0.04 1.97 -0.08 -0.54 0.00 0.00 174.62 176.28 2k9h h GLU 84 N 2.68 1.07 -0.91 3.99 4.81 -1.89 -1.31 114.58 123.02 2k9h h GLU 84 Ca -0.48 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 58.73 2k9h h GLU 84 Cb 1.21 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 30.30 2k9h h GLU 84 CO 0.63 0.71 0.59 0.77 -0.73 0.00 0.00 179.01 180.98 2k9h h SER 85 N 1.10 0.96 0.25 1.04 0.02 -1.95 0.90 113.55 115.86 2k9h h SER 85 Ca 0.30 -0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.91 2k9h h SER 85 Cb -0.12 -0.21 0.04 0.00 0.14 0.00 0.00 62.40 62.25 2k9h h SER 85 CO -0.06 0.64 -1.43 0.00 -1.14 0.00 0.00 176.83 174.84 2k9h h ALA 86 N 1.48 -0.16 -0.29 3.77 0.00 -1.77 -3.23 119.26 119.06 2k9h h ALA 86 Ca 0.37 -0.85 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 2k9h h ALA 86 Cb 0.07 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k9h h ALA 86 CO -0.12 0.67 -0.53 -0.07 0.00 0.00 0.00 179.25 179.19 2k9h h LEU 87 N 0.10 0.95 -0.62 0.00 3.38 -1.04 -2.62 115.31 115.46 2k9h h LEU 87 Ca -0.25 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.23 2k9h h LEU 87 Cb 2.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 2k9h h LEU 87 CO 0.27 1.29 0.41 -0.61 0.09 0.00 0.00 178.44 179.89 2k9h h GLN 88 N 0.66 0.80 -0.79 1.13 5.75 -0.97 -1.32 115.11 120.36 2k9h h GLN 88 Ca 0.02 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2k9h h GLN 88 Cb 1.14 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.47 2k9h h GLN 88 CO 0.12 0.53 0.51 0.00 -2.65 0.00 0.00 178.83 177.34 2k9h h ALA 89 N 1.24 1.41 0.34 3.38 0.00 -1.56 -2.36 119.26 121.72 2k9h h ALA 89 Ca 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2k9h h ALA 89 Cb -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.40 2k9h h ALA 89 CO -0.06 0.54 -0.17 1.25 0.00 0.00 0.00 179.25 180.81 2k9h h HIS 90 N 1.08 -0.43 0.00 0.00 -0.00 -1.01 -3.26 115.15 111.54 2k9h h HIS 90 Ca 0.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.64 2k9h h HIS 90 Cb -0.11 0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 2k9h h HIS 90 CO 0.00 -0.14 -0.03 1.88 -0.00 0.00 0.00 177.93 179.64 2k9h h TYR 91 N -0.68 0.00 0.00 5.26 0.05 -1.06 -1.70 116.97 118.84 2k9h h TYR 91 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2k9h h TYR 91 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2k9h h TYR 91 CO -0.00 0.03 0.00 0.77 -1.05 0.00 0.00 178.16 177.91 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.46 -3.15 113.55 112.83 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 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 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 -3.06 0.26 -5.14 3.27 -5.35 -0.67 -5.07 119.36 103.60 2k9h n ILE 93 Ca -0.02 -0.52 -0.30 0.00 -0.27 0.00 0.00 62.75 61.65 2k9h n ILE 93 Cb 0.12 1.02 -0.16 0.00 -1.74 0.00 0.00 39.64 38.87 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 2.93 0.24 -0.24 0.00 3.00 -1.26 -4.82 118.16 118.01 2k9h n LYS 95 Ca -0.17 -0.98 0.09 0.00 -0.00 0.00 0.00 58.31 57.25 2k9h n LYS 95 Cb 0.52 -0.60 0.25 0.00 0.00 0.00 0.00 35.03 35.20 2k9h n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2k9h n LEU 96 N -0.13 2.84 0.24 3.14 4.77 -1.26 -4.58 117.00 122.02 2k9h n LEU 96 Ca 0.01 -1.37 0.13 0.00 -0.03 0.00 0.00 56.01 54.75 2k9h n LEU 96 Cb 0.61 -0.32 0.68 0.00 -2.33 0.00 0.00 43.42 42.06 2k9h n LEU 96 CO 0.00 0.69 0.96 0.71 -1.33 0.00 0.00 177.39 178.42 2k9h h THR 97 N 3.24 0.00 0.00 -5.08 1.35 -1.88 -3.12 112.91 107.42 2k9h h THR 97 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.74 2k9h h THR 97 Cb 0.73 0.55 -0.11 0.00 -1.73 0.00 0.00 68.15 67.60 2k9h h THR 97 CO 0.00 0.00 -0.24 0.61 -0.25 0.00 0.00 175.52 175.64 2k9h n GLY 98 N -1.24 0.68 0.00 5.82 0.00 -1.26 -4.44 105.19 104.75 2k9h n GLY 98 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2k9h n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19