#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k42 n HIS 74 N 0.00 0.00 0.75 1.61 -0.00 -1.26 -4.90 115.22 111.42 2k42 n HIS 74 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 2k42 n HIS 74 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 29.87 2k42 n HIS 74 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2k42 n MET 75 N 0.00 0.55 -4.26 -0.41 2.00 -1.26 -4.94 117.12 108.80 2k42 n MET 75 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 57.70 57.44 2k42 n MET 75 Cb 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 33.22 31.67 2k42 n MET 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2k42 s LEU 76 N -3.20 2.32 0.00 4.03 2.01 -1.26 -5.02 118.68 117.55 2k42 s LEU 76 Ca 0.05 -0.70 0.15 0.00 0.01 0.00 0.00 54.13 53.64 2k42 s LEU 76 Cb 0.14 -0.78 0.44 0.00 0.01 0.00 0.00 46.19 46.01 2k42 s LEU 76 CO 0.81 0.01 1.37 -0.81 1.01 0.00 0.00 176.35 178.74 2k42 n PRO 77 N 1.01 2.15 -3.10 1.29 -0.04 -1.26 -4.27 135.00 130.78 2k42 n PRO 77 Ca -0.19 -1.79 -0.13 0.00 -0.04 0.00 0.00 63.50 61.35 2k42 n PRO 77 Cb 0.54 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2k42 n PRO 77 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2k42 n ASP 78 N 0.96 2.15 0.22 3.54 9.92 -1.26 -4.89 116.55 127.19 2k42 n ASP 78 Ca 0.17 -1.93 0.15 0.00 -0.53 0.00 0.00 54.79 52.65 2k42 n ASP 78 Cb 0.42 0.23 0.78 0.00 -0.64 0.00 0.00 41.12 41.91 2k42 n ASP 78 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2k42 h VAL 79 N 1.16 0.00 -0.55 2.53 3.04 -2.01 -1.63 116.25 118.78 2k42 h VAL 79 Ca -0.17 -0.06 0.16 0.00 -1.01 0.00 0.00 66.70 65.62 2k42 h VAL 79 Cb 0.53 0.75 -0.02 0.00 -2.01 0.00 0.00 31.29 30.54 2k42 h VAL 79 CO 0.27 0.00 0.40 0.00 -1.01 0.00 0.00 177.57 177.23 2k42 h ALA 80 N 2.03 2.50 -0.20 3.17 0.00 -1.94 0.03 119.26 124.85 2k42 h ALA 80 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2k42 h ALA 80 Cb 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2k42 h ALA 80 CO 0.00 -0.66 -0.52 -0.56 0.00 0.00 0.00 179.25 177.51 2k42 h GLN 81 N 0.01 0.56 0.00 0.00 3.07 -1.52 -2.45 115.11 114.79 2k42 h GLN 81 Ca 0.26 -0.34 -0.01 0.00 0.09 0.00 0.00 58.65 58.65 2k42 h GLN 81 Cb 1.03 0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.62 2k42 h GLN 81 CO -0.01 0.94 -0.06 -0.09 0.09 0.00 0.00 178.83 179.71 2k42 h ARG 82 N 0.44 0.00 0.19 0.06 9.65 -1.18 -2.96 114.38 120.58 2k42 h ARG 82 Ca 0.02 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.61 2k42 h ARG 82 Cb 1.05 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.66 2k42 h ARG 82 CO 0.10 0.06 -1.34 1.25 2.80 0.00 0.00 179.97 182.84 2k42 h LEU 83 N 0.00 0.64 -0.90 3.80 5.85 -1.19 -2.75 115.31 120.76 2k42 h LEU 83 Ca -0.00 -0.92 -0.01 0.00 0.84 0.00 0.00 57.88 57.79 2k42 h LEU 83 Cb 0.83 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2k42 h LEU 83 CO 0.01 1.63 0.52 0.24 -0.34 0.00 0.00 178.44 180.49 2k42 h MET 84 N -0.07 1.24 -0.46 1.25 2.86 -1.38 -0.99 114.93 117.38 2k42 h MET 84 Ca -0.25 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.20 2k42 h MET 84 Cb 1.95 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 33.34 2k42 h MET 84 CO 0.19 0.89 0.03 1.96 1.06 0.00 0.00 176.91 181.04 2k42 h GLN 85 N 1.25 0.78 -0.19 1.72 1.08 -1.62 -1.89 115.11 116.24 2k42 h GLN 85 Ca 0.32 -0.23 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 2k42 h GLN 85 Cb -0.02 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 2k42 h GLN 85 CO -0.06 0.83 -0.23 1.25 -0.95 0.00 0.00 178.83 179.67 2k42 h HIS 86 N 0.64 0.38 0.10 2.96 2.76 -1.09 -2.72 115.15 118.18 2k42 h HIS 86 Ca 0.13 -0.07 -0.29 0.00 -2.20 0.00 0.00 60.37 57.94 2k42 h HIS 86 Cb 0.45 -0.10 0.03 0.00 1.55 0.00 0.00 27.41 29.34 2k42 h HIS 86 CO 0.03 0.55 -1.22 -0.07 -1.30 0.00 0.00 177.93 175.93 2k42 h LEU 87 N 0.31 0.84 -1.12 0.26 3.38 -1.13 -3.17 115.31 114.68 2k42 h LEU 87 Ca 0.05 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.25 2k42 h LEU 87 Cb 0.58 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k42 h LEU 87 CO 0.04 1.57 0.00 0.00 0.09 0.00 0.00 178.44 180.15 2k42 n ALA 88 N -2.66 1.18 0.31 1.53 0.00 -0.72 -1.58 120.51 118.57 2k42 n ALA 88 Ca -0.13 0.15 0.15 0.00 0.00 0.00 0.00 53.44 53.61 2k42 n ALA 88 Cb 0.97 -1.30 0.51 0.00 0.00 0.00 0.00 19.45 19.64 2k42 n ALA 88 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k42 h GLU 89 N 0.00 0.00 0.00 0.00 4.39 -1.46 -3.36 114.58 114.15 2k42 h GLU 89 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k42 h GLU 89 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2k42 h GLU 89 CO 0.00 0.00 -0.70 0.72 -1.16 0.00 0.00 179.01 177.87 2k42 n HIS 90 N -2.89 0.00 0.00 4.33 8.25 -0.62 -5.06 115.22 119.23 2k42 n HIS 90 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2k42 n HIS 90 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2k42 n HIS 90 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k42 n GLY 91 N 1.95 0.76 3.76 -1.41 0.00 -0.94 -5.10 105.19 104.21 2k42 n GLY 91 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2k42 n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k42 s ILE 92 N -0.84 2.47 0.10 -0.61 1.09 -1.21 -4.96 121.20 117.24 2k42 s ILE 92 Ca 0.00 0.37 -0.31 0.00 -1.10 0.00 0.00 60.65 59.61 2k42 s ILE 92 Cb 0.00 -3.19 -0.08 0.00 -1.06 0.00 0.00 42.46 38.12 2k42 s ILE 92 CO 0.00 0.01 1.55 -1.10 -0.10 0.00 0.00 174.94 175.29 2k42 s GLN 93 N -2.74 4.23 0.18 2.79 -1.52 -1.26 -4.96 119.66 116.38 2k42 s GLN 93 Ca 0.67 2.26 -0.32 0.00 -1.95 0.00 0.00 55.36 56.02 2k42 s GLN 93 Cb -0.36 -3.38 -0.11 0.00 -0.22 0.00 0.00 33.01 28.93 2k42 s GLN 93 CO 0.44 -0.62 1.65 -2.14 -0.25 0.00 0.00 175.29 174.37 2k42 s PRO 94 N 1.83 4.17 0.00 2.91 0.02 -1.26 -4.91 135.00 137.76 2k42 s PRO 94 Ca 0.70 2.48 0.12 0.00 0.02 0.00 0.00 61.00 64.32 2k42 s PRO 94 Cb -0.40 -3.14 0.18 0.00 0.02 0.00 0.00 34.50 31.16 2k42 s PRO 94 CO 0.31 -0.68 1.02 0.00 -0.33 0.00 0.00 177.00 177.32 2k42 n ALA 95 N 4.08 2.39 0.14 -1.55 0.00 -1.26 -4.30 120.51 120.00 2k42 n ALA 95 Ca 0.15 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.80 2k42 n ALA 95 Cb 0.37 -0.44 0.22 0.00 0.00 0.00 0.00 19.45 19.60 2k42 n ALA 95 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2k42 h ARG 96 N 2.39 0.07 0.00 0.00 9.65 -2.04 -3.44 114.38 121.01 2k42 h ARG 96 Ca 0.00 -0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.64 2k42 h ARG 96 Cb 0.60 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 29.22 2k42 h ARG 96 CO 0.00 0.57 0.05 0.27 2.80 0.00 0.00 179.97 183.66 2k42 n ASN 97 N -3.93 0.61 0.00 -3.80 0.23 -1.26 -5.06 115.26 102.05 2k42 n ASN 97 Ca -0.02 -1.51 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 2k42 n ASN 97 Cb 0.54 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 2k42 n ASN 97 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 2k42 n MET 98 N -1.80 0.00 0.00 -3.83 0.00 -1.26 -4.81 117.12 105.42 2k42 n MET 98 Ca 0.07 0.45 0.00 0.00 -0.00 0.00 0.00 57.70 58.22 2k42 n MET 98 Cb 0.26 -1.28 0.00 0.00 0.00 0.00 0.00 33.22 32.20 2k42 n MET 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k42 n ALA 99 N -1.85 0.00 -1.34 -5.12 0.00 -1.26 -4.93 120.51 106.01 2k42 n ALA 99 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2k42 n ALA 99 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2k42 n ALA 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k42 n GLU 100 N 0.00 -2.33 -3.73 0.00 1.02 -1.26 -4.85 120.64 109.49 2k42 n GLU 100 Ca 0.00 1.54 -0.26 0.00 -0.02 0.00 0.00 57.16 58.42 2k42 n GLU 100 Cb 0.00 -2.84 -0.17 0.00 -0.02 0.00 0.00 31.44 28.41 2k42 n GLU 100 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2k42 s HIS 101 N -1.79 0.78 -0.27 -0.32 3.76 -1.26 -5.10 115.29 111.09 2k42 s HIS 101 Ca 0.00 -0.55 -0.29 0.00 -0.15 0.00 0.00 55.06 54.08 2k42 s HIS 101 Cb 0.00 -0.90 -0.02 0.00 1.11 0.00 0.00 32.58 32.77 2k42 s HIS 101 CO 0.00 -0.50 1.68 0.42 -0.85 0.00 0.00 174.74 175.49 2k42 s ILE 102 N 1.94 3.61 0.31 0.60 -1.09 -1.26 -4.96 121.20 120.34 2k42 s ILE 102 Ca 0.01 0.66 -0.29 0.00 -2.23 0.00 0.00 60.65 58.81 2k42 s ILE 102 Cb -0.15 -3.71 -0.10 0.00 -1.58 0.00 0.00 42.46 36.92 2k42 s ILE 102 CO -0.07 -0.37 1.27 -2.16 -1.23 0.00 0.00 174.94 172.37 2k42 s PRO 103 N 5.08 4.42 -0.15 2.79 0.04 -1.26 -4.94 135.00 140.98 2k42 s PRO 103 Ca 0.74 2.12 -0.29 0.00 0.04 0.00 0.00 61.00 63.61 2k42 s PRO 103 Cb -0.23 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 2k42 s PRO 103 CO 0.31 -0.11 1.86 -2.14 0.04 0.00 0.00 177.00 176.97 2k42 s PRO 104 N -1.56 3.73 0.06 0.56 0.02 -1.26 -4.95 135.00 131.61 2k42 s PRO 104 Ca 0.49 2.02 -0.31 0.00 0.02 0.00 0.00 61.00 63.22 2k42 s PRO 104 Cb -0.38 -4.15 -0.07 0.00 0.02 0.00 0.00 34.50 29.92 2k42 s PRO 104 CO 0.49 -1.40 1.50 0.00 -0.33 0.00 0.00 177.00 177.26 2k42 s ALA 105 N 5.75 3.63 -0.32 -1.55 0.00 -1.26 -4.88 121.76 123.14 2k42 s ALA 105 Ca 0.83 1.08 -0.37 0.00 0.00 0.00 0.00 51.96 53.50 2k42 s ALA 105 Cb -0.32 -3.62 -0.13 0.00 0.00 0.00 0.00 23.12 19.05 2k42 s ALA 105 CO 0.34 -0.90 2.03 -2.30 0.00 0.00 0.00 175.76 174.93 2k42 n PRO 106 N 5.02 1.11 -2.47 0.00 -0.02 -1.26 -4.91 135.00 132.47 2k42 n PRO 106 Ca 0.14 0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 61.61 2k42 n PRO 106 Cb 0.42 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 2k42 n PRO 106 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2k42 s ASN 107 N 5.85 6.44 0.00 2.55 0.02 -1.26 -5.34 114.94 123.20 2k42 s ASN 107 Ca 1.06 2.07 0.24 0.00 -1.02 0.00 0.00 52.86 55.21 2k42 s ASN 107 Cb -0.96 -2.58 0.30 0.00 0.02 0.00 0.00 41.25 38.03 2k42 s ASN 107 CO 0.56 -0.71 1.32 0.79 0.02 0.00 0.00 177.10 179.07