#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 0.99 0.33 -5.12 0.00 -1.26 -5.04 105.19 95.08 2k9h n GLY 44 Ca 0.00 -1.07 0.19 0.00 0.00 0.00 0.00 46.02 45.14 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 1.15 0.00 -0.07 1.61 4.64 -2.04 -2.15 113.55 116.70 2k9h h SER 45 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2k9h h SER 45 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2k9h h SER 45 CO 0.22 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 176.98 2k9h n MET 46 N -2.94 1.28 -4.02 4.77 1.56 -1.26 -4.86 117.12 111.64 2k9h n MET 46 Ca -0.03 -0.43 -0.35 0.00 -0.27 0.00 0.00 57.70 56.63 2k9h n MET 46 Cb 0.19 -1.31 -0.09 0.00 2.15 0.00 0.00 33.22 34.16 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 -1.91 4.89 0.48 1.12 1.01 -0.81 -4.20 120.40 120.98 2k9h s VAL 47 Ca 0.28 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.02 2k9h s VAL 47 Cb 0.14 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 2k9h s VAL 47 CO 0.22 0.51 1.32 0.00 0.00 0.00 0.00 175.10 177.15 2k9h n ASP 49 N -0.52 0.29 0.00 0.00 8.00 -1.26 -3.00 116.55 120.06 2k9h n ASP 49 Ca 0.07 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.14 2k9h n ASP 49 Cb 0.45 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.82 0.00 1.13 2.53 0.31 -1.26 -4.81 118.33 114.42 2k9h n VAL 50 Ca 0.03 0.08 0.10 0.00 -0.01 0.00 0.00 64.34 64.54 2k9h n VAL 50 Cb 0.20 -1.02 0.56 0.00 -0.91 0.00 0.00 33.84 32.66 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 -1.11 -1.45 -4.48 0.00 -0.00 -1.16 -4.65 115.22 102.37 2k9h n HIS 52 Ca 0.13 0.74 -0.23 0.00 -0.00 0.00 0.00 57.72 58.36 2k9h n HIS 52 Cb 0.10 -2.41 -0.10 0.00 -0.00 0.00 0.00 29.99 27.58 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 -3.28 2.15 0.87 4.41 5.65 -1.26 -4.82 115.29 119.01 2k9h s HIS 53 Ca 0.78 -0.60 -0.13 0.00 0.25 0.00 0.00 55.06 55.36 2k9h s HIS 53 Cb -0.44 -1.21 0.13 0.00 -1.18 0.00 0.00 32.58 29.88 2k9h s HIS 53 CO 0.98 0.43 1.23 -1.83 -0.65 0.00 0.00 174.74 174.90 2k9h s GLU 54 N -3.67 1.38 0.19 2.88 -1.05 -1.26 -1.28 118.70 115.89 2k9h s GLU 54 Ca 0.31 -0.16 0.03 0.00 -0.15 0.00 0.00 54.97 55.00 2k9h s GLU 54 Cb 0.03 -1.92 -0.05 0.00 -0.44 0.00 0.00 34.13 31.75 2k9h s GLU 54 CO 0.14 -1.94 -0.02 0.00 0.95 0.00 0.00 175.26 174.39 2k9h h GLU 56 N 2.62 0.21 -4.04 0.00 4.57 -1.91 -3.43 114.58 112.61 2k9h h GLU 56 Ca -0.37 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.68 2k9h h GLU 56 Cb 1.21 -0.05 -0.16 0.00 -0.16 0.00 0.00 28.75 29.59 2k9h h GLU 56 CO 0.63 0.14 -0.58 0.95 -1.18 0.00 0.00 179.01 178.97 2k9h s THR 57 N -5.22 0.18 -0.90 0.32 -4.23 -1.26 -4.99 115.64 99.54 2k9h s THR 57 Ca -0.06 -1.46 0.20 0.00 -1.18 0.00 0.00 61.69 59.19 2k9h s THR 57 Cb 0.20 -1.25 0.18 0.00 1.34 0.00 0.00 72.50 72.97 2k9h s THR 57 CO 0.74 -0.80 1.62 0.00 -0.54 0.00 0.00 174.62 175.64 2k9h n ALA 58 N 0.33 1.84 -0.06 3.99 0.00 -1.26 -3.03 120.51 122.32 2k9h n ALA 58 Ca -0.16 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 2k9h n ALA 58 Cb 0.60 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.67 0.66 0.21 0.00 4.81 -1.26 -4.11 118.16 116.80 2k9h n LYS 59 Ca 0.04 0.41 0.15 0.00 -0.87 0.00 0.00 58.31 58.04 2k9h n LYS 59 Cb 0.23 -1.71 0.69 0.00 0.02 0.00 0.00 35.03 34.26 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 -0.50 0.00 -0.58 1.64 4.39 -1.89 -2.89 114.58 114.75 2k9h h GLU 60 Ca -0.41 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.43 2k9h h GLU 60 Cb 1.66 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.28 2k9h h GLU 60 CO -0.08 0.00 0.40 1.25 -1.16 0.00 0.00 179.01 179.42 2k9h h LEU 61 N 0.00 0.18 -0.88 1.33 5.85 -1.69 -1.09 115.31 119.01 2k9h h LEU 61 Ca 0.00 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2k9h h LEU 61 Cb 0.28 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2k9h h LEU 61 CO 0.00 0.10 -0.30 -0.08 -0.34 0.00 0.00 178.44 177.82 2k9h h GLU 62 N 0.20 0.46 -0.02 1.25 4.81 -1.75 -2.02 114.58 117.52 2k9h h GLU 62 Ca 0.28 -0.19 -0.20 0.00 -0.13 0.00 0.00 59.36 59.12 2k9h h GLU 62 Cb 0.83 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2k9h h GLU 62 CO -0.05 0.72 -0.84 0.77 -0.73 0.00 0.00 179.01 178.88 2k9h h SER 63 N 0.40 0.34 0.58 1.04 0.02 -1.47 -3.17 113.55 111.29 2k9h h SER 63 Ca 0.05 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 2k9h h SER 63 Cb 0.74 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2k9h h SER 63 CO 0.06 1.03 -0.48 -0.74 -1.14 0.00 0.00 176.83 175.56 2k9h h HIS 64 N 0.16 -1.32 -0.93 3.45 6.17 -0.91 -1.98 115.15 119.80 2k9h h HIS 64 Ca -0.05 0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.12 2k9h h HIS 64 Cb 1.45 0.50 -0.06 0.00 2.52 0.00 0.00 27.41 31.81 2k9h h HIS 64 CO 0.04 -0.67 0.60 0.07 0.71 0.00 0.00 177.93 178.68 2k9h h ARG 65 N -1.04 0.98 0.00 5.26 0.11 -1.48 0.16 114.38 118.37 2k9h h ARG 65 Ca -0.07 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.95 2k9h h ARG 65 Cb 0.88 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2k9h h ARG 65 CO -0.01 0.65 0.00 1.96 0.10 0.00 0.00 179.97 182.67 2k9h h GLN 66 N 1.01 0.00 0.08 0.08 4.20 -1.49 -2.42 115.11 116.57 2k9h h GLN 66 Ca 0.41 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.79 2k9h h GLN 66 Cb 0.29 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2k9h h GLN 66 CO -0.17 0.00 -1.86 0.43 -0.67 0.00 0.00 178.83 176.56 2k9h n SER 67 N -3.07 2.04 -0.19 1.46 7.64 -0.43 -4.32 113.62 116.75 2k9h n SER 67 Ca 0.00 0.25 -0.02 0.00 1.01 0.00 0.00 58.87 60.12 2k9h n SER 67 Cb 0.29 -0.86 0.09 0.00 -1.01 0.00 0.00 64.21 62.71 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 0.46 0.00 -0.26 0.00 6.09 -1.63 -0.18 117.51 121.99 2k9h h ILE 69 Ca 0.28 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.77 2k9h h ILE 69 Cb 0.28 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.47 2k9h h ILE 69 CO -0.25 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.42 2k9h n ASN 70 N -2.97 2.66 -0.72 2.19 3.02 -0.64 -4.94 115.26 113.87 2k9h n ASN 70 Ca -0.03 -1.85 -0.09 0.00 -0.03 0.00 0.00 54.58 52.58 2k9h n ASN 70 Cb 0.11 -0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 39.07 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 0.56 1.01 3.52 7.41 0.00 -0.08 -4.84 105.19 112.77 2k9h n GLY 71 Ca 0.10 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.87 1.85 0.01 1.61 0.74 -0.26 -0.72 119.66 120.02 2k9h s GLN 72 Ca 0.00 -1.56 -0.19 0.00 0.05 0.00 0.00 55.36 53.66 2k9h s GLN 72 Cb 0.00 -1.93 -0.06 0.00 1.10 0.00 0.00 33.01 32.12 2k9h s GLN 72 CO 0.00 0.37 0.55 0.00 -0.55 0.00 0.00 175.29 175.65 2k9h n PRO 74 N 2.33 0.14 0.00 0.00 -0.04 -1.26 -3.33 135.00 132.84 2k9h n PRO 74 Ca -0.09 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2k9h n PRO 74 Cb 0.51 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.13 0.00 1.30 0.54 4.02 -1.26 -4.82 117.16 114.81 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 0.14 0.08 0.59 0.00 -0.02 0.00 0.00 39.34 40.12 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 -1.13 -1.44 -1.71 0.00 2.81 -1.21 -4.98 117.12 109.46 2k9h n MET 77 Ca 0.12 0.36 -0.40 0.00 -1.81 0.00 0.00 57.70 55.98 2k9h n MET 77 Cb 0.29 -4.83 0.03 0.00 -0.71 0.00 0.00 33.22 28.00 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 -2.01 3.17 -5.17 2.03 -1.04 -1.26 -4.63 114.28 105.37 2k9h n THR 78 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 2k9h n THR 78 Cb 0.36 -1.58 -0.16 0.00 -1.82 0.00 0.00 70.33 67.13 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 -1.27 1.87 0.15 12.58 1.01 -1.26 -1.63 121.20 132.65 2k9h s ILE 79 Ca 0.66 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 60.34 2k9h s ILE 79 Cb -0.46 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 2k9h s ILE 79 CO 0.54 0.53 0.15 0.35 0.00 0.00 0.00 174.94 176.50 2k9h n THR 80 N 2.69 0.00 -1.99 2.92 -2.24 0.10 -5.01 114.28 110.75 2k9h n THR 80 Ca -0.16 -1.00 -0.36 0.00 -2.27 0.00 0.00 64.05 60.26 2k9h n THR 80 Cb 0.52 0.52 0.04 0.00 -2.10 0.00 0.00 70.33 69.31 2k9h n THR 80 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k9h s GLU 81 N -2.53 2.94 0.00 -0.78 8.01 -1.26 -4.50 118.70 120.58 2k9h s GLU 81 Ca 0.16 1.79 0.07 0.00 0.01 0.00 0.00 54.97 57.00 2k9h s GLU 81 Cb 0.01 -1.93 0.41 0.00 -4.31 0.00 0.00 34.13 28.31 2k9h s GLU 81 CO 0.12 -1.22 1.06 0.00 0.01 0.00 0.00 175.26 175.23 2k9h n ALA 82 N -1.67 2.31 -1.81 5.21 0.00 -1.26 -4.34 120.51 118.95 2k9h n ALA 82 Ca 0.13 -0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 2k9h n ALA 82 Cb 0.50 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 4.24 0.23 0.00 -4.23 -1.26 -4.83 115.64 107.79 2k9h s THR 83 Ca 0.10 1.32 -0.08 0.00 -1.18 0.00 0.00 61.69 61.85 2k9h s THR 83 Cb 0.05 -3.57 0.20 0.00 1.34 0.00 0.00 72.50 70.51 2k9h s THR 83 CO 0.08 -0.38 1.89 -0.08 -0.54 0.00 0.00 174.62 175.59 2k9h h GLU 84 N 1.57 1.07 -0.83 3.99 4.81 -1.89 -0.85 114.58 122.44 2k9h h GLU 84 Ca -0.49 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2k9h h GLU 84 Cb 1.19 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 2k9h h GLU 84 CO 0.60 0.71 0.55 0.77 -0.73 0.00 0.00 179.01 180.91 2k9h h SER 85 N 1.10 0.92 0.28 1.04 0.02 -1.94 -0.02 113.55 114.96 2k9h h SER 85 Ca 0.32 -0.02 -0.34 0.00 -0.84 0.00 0.00 61.79 60.92 2k9h h SER 85 Cb -0.06 -0.22 0.04 0.00 0.14 0.00 0.00 62.40 62.29 2k9h h SER 85 CO -0.09 0.65 -1.48 0.00 -1.14 0.00 0.00 176.83 174.78 2k9h h ALA 86 N 1.50 -0.15 -0.16 3.77 0.00 -1.78 -3.29 119.26 119.15 2k9h h ALA 86 Ca 0.32 -0.86 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 2k9h h ALA 86 Cb -0.05 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k9h h ALA 86 CO -0.08 0.71 -0.46 -0.07 0.00 0.00 0.00 179.25 179.35 2k9h h LEU 87 N 0.14 0.68 -0.92 0.00 3.38 -0.95 -3.09 115.31 114.55 2k9h h LEU 87 Ca -0.25 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.15 2k9h h LEU 87 Cb 2.17 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.67 2k9h h LEU 87 CO 0.27 1.15 0.60 1.56 0.09 0.00 0.00 178.44 182.11 2k9h h GLN 88 N 0.24 1.16 -0.63 1.13 4.20 -1.17 -0.96 115.11 119.08 2k9h h GLN 88 Ca -0.01 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.68 2k9h h GLN 88 Cb 1.08 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 2k9h h GLN 88 CO 0.10 0.77 0.42 0.00 -0.67 0.00 0.00 178.83 179.44 2k9h h ALA 89 N 1.36 1.74 0.01 3.87 0.00 -1.62 -1.28 119.26 123.33 2k9h h ALA 89 Ca 0.35 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 2k9h h ALA 89 Cb -0.06 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.57 2k9h h ALA 89 CO -0.10 0.16 -0.67 1.25 0.00 0.00 0.00 179.25 179.90 2k9h h HIS 90 N 0.67 0.66 0.00 0.00 -0.00 -1.22 -3.18 115.15 112.08 2k9h h HIS 90 Ca 0.27 -0.36 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 2k9h h HIS 90 Cb 0.21 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2k9h h HIS 90 CO -0.00 1.19 0.00 1.88 -0.00 0.00 0.00 177.93 181.00 2k9h h TYR 91 N -0.05 0.00 0.00 5.26 0.05 -0.88 0.12 116.97 121.46 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 1.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.12 2k9h h TYR 91 CO 0.14 0.00 0.00 0.77 -1.05 0.00 0.00 178.16 178.02 2k9h h SER 92 N 0.00 0.00 0.20 3.88 0.02 -1.29 -3.24 113.55 113.12 2k9h h SER 92 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 2k9h h SER 92 Cb 0.44 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 2k9h h SER 92 CO 0.00 0.00 -2.11 -0.38 -1.14 0.00 0.00 176.83 173.20 2k9h n ILE 93 N -3.01 1.49 -4.81 3.27 5.41 0.13 -5.00 119.36 116.84 2k9h n ILE 93 Ca 0.02 -0.82 -0.32 0.00 1.00 0.00 0.00 62.75 62.62 2k9h n ILE 93 Cb 0.37 -0.74 -0.13 0.00 -0.71 0.00 0.00 39.64 38.43 2k9h n ILE 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k9h n LYS 95 N 2.10 0.09 0.00 0.00 4.76 -1.26 -4.74 118.16 119.12 2k9h n LYS 95 Ca -0.17 -0.40 0.12 0.00 -2.87 0.00 0.00 58.31 54.98 2k9h n LYS 95 Cb 0.52 -0.52 0.59 0.00 -1.84 0.00 0.00 35.03 33.78 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 -0.02 0.00 0.00 -0.35 4.77 -1.26 -4.32 117.00 115.82 2k9h n LEU 96 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2k9h n LEU 96 Cb 0.42 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2k9h n LEU 96 CO 0.00 -0.07 0.09 0.35 -1.33 0.00 0.00 177.39 176.44 2k9h n THR 97 N -1.30 0.00 -1.83 -5.08 -2.24 -1.26 -1.80 114.28 100.77 2k9h n THR 97 Ca 0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 2k9h n THR 97 Cb 0.19 -0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 67.64 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 -0.63 0.30 0.00 3.38 0.00 -1.26 -4.51 105.19 102.47 2k9h n GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k9h n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36