#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpc s THR 53 N 0.00 0.07 0.01 5.18 2.01 -1.26 -5.05 115.64 116.59 1vpc s THR 53 Ca 0.00 -1.03 0.27 0.00 0.31 0.00 0.00 61.69 61.23 1vpc s THR 53 Cb 0.00 -1.08 0.30 0.00 0.01 0.00 0.00 72.50 71.74 1vpc s THR 53 CO 0.00 -0.78 1.83 -0.25 -0.69 0.00 0.00 174.62 174.72 1vpc h TRP 54 N 8.07 0.00 -0.43 4.92 2.91 -2.05 -3.06 115.95 126.30 1vpc h TRP 54 Ca -0.14 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.82 1vpc h TRP 54 Cb 1.00 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.63 1vpc h TRP 54 CO 0.33 0.12 0.00 0.00 -1.03 0.00 0.00 178.44 177.86 1vpc h THR 55 N 0.00 1.23 -0.33 2.65 1.03 -1.98 -1.12 112.91 114.39 1vpc h THR 55 Ca -0.00 -0.93 -0.11 0.00 -0.01 0.00 0.00 66.41 65.36 1vpc h THR 55 Cb 0.74 0.90 -0.01 0.00 -1.07 0.00 0.00 68.15 68.71 1vpc h THR 55 CO 0.02 0.33 -0.23 1.23 -0.01 0.00 0.00 175.52 176.85 1vpc h GLY 56 N 0.94 0.81 0.83 2.99 0.00 -1.97 -1.51 103.07 105.16 1vpc h GLY 56 Ca 0.13 -0.77 0.02 0.00 0.00 0.00 0.00 47.33 46.72 1vpc h GLY 56 CO 0.02 0.70 0.15 -2.08 0.00 0.00 0.00 176.54 175.33 1vpc h VAL 57 N 0.51 0.98 -0.23 4.60 2.07 -1.62 -2.26 116.25 120.29 1vpc h VAL 57 Ca 0.06 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1vpc h VAL 57 Cb 0.79 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1vpc h VAL 57 CO 0.06 0.06 -0.03 -0.33 0.02 0.00 0.00 177.57 177.35 1vpc h GLU 58 N 0.32 0.03 -0.68 1.57 5.08 -1.27 -2.86 114.58 116.77 1vpc h GLU 58 Ca 0.14 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.61 1vpc h GLU 58 Cb 0.06 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1vpc h GLU 58 CO -0.10 0.02 0.45 0.00 -1.00 0.00 0.00 179.01 178.38 1vpc h ALA 59 N 1.22 2.01 -0.30 3.43 0.00 -1.18 -1.69 119.26 122.75 1vpc h ALA 59 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1vpc h ALA 59 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1vpc h ALA 59 CO -0.22 -0.17 0.04 -0.07 0.00 0.00 0.00 179.25 178.83 1vpc h LEU 60 N 0.46 0.48 -1.16 0.00 3.38 -1.22 -3.05 115.31 114.20 1vpc h LEU 60 Ca 0.32 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1vpc h LEU 60 Cb 0.63 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1vpc h LEU 60 CO -0.10 0.64 -0.20 0.16 0.09 0.00 0.00 178.44 179.03 1vpc h ILE 61 N 0.31 0.50 -0.34 1.22 3.07 -1.26 -2.64 117.51 118.37 1vpc h ILE 61 Ca 0.09 -1.04 -0.13 0.00 1.55 0.00 0.00 64.86 65.32 1vpc h ILE 61 Cb 0.37 1.73 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 1vpc h ILE 61 CO 0.01 0.19 -0.31 0.03 -1.05 0.00 0.00 178.15 177.02 1vpc h ARG 62 N 0.00 0.75 -0.40 0.16 3.08 -1.34 -2.40 114.38 114.23 1vpc h ARG 62 Ca -0.00 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.62 1vpc h ARG 62 Cb 0.72 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1vpc h ARG 62 CO 0.03 0.96 -0.09 0.82 -1.07 0.00 0.00 179.97 180.61 1vpc h ILE 63 N 0.63 1.27 -0.76 2.04 1.08 -1.49 -2.85 117.51 117.44 1vpc h ILE 63 Ca 0.07 -1.18 -0.04 0.00 -0.39 0.00 0.00 64.86 63.32 1vpc h ILE 63 Cb 0.84 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1vpc h ILE 63 CO 0.07 0.40 0.33 -0.07 -0.69 0.00 0.00 178.15 178.19 1vpc h LEU 64 N 0.59 1.01 -0.74 1.44 3.38 -1.46 -1.58 115.31 117.96 1vpc h LEU 64 Ca 0.10 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1vpc h LEU 64 Cb 0.62 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1vpc h LEU 64 CO 0.04 0.88 -0.61 0.06 0.09 0.00 0.00 178.44 178.90 1vpc h GLN 65 N 1.09 0.08 -0.31 1.13 -0.00 -1.53 -3.10 115.11 112.47 1vpc h GLN 65 Ca 0.26 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 58.82 1vpc h GLN 65 Cb 0.17 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.64 1vpc h GLN 65 CO -0.03 0.66 0.08 1.96 -0.00 0.00 0.00 178.83 181.50 1vpc h GLN 66 N 0.06 0.49 0.00 0.06 4.20 -1.28 -1.57 115.11 117.07 1vpc h GLN 66 Ca -0.01 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1vpc h GLN 66 Cb 1.09 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1vpc h GLN 66 CO 0.08 0.56 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.73 1vpc h LEU 67 N 0.34 0.00 0.00 1.46 3.38 -1.37 -1.04 115.31 118.08 1vpc h LEU 67 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1vpc h LEU 67 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1vpc h LEU 67 CO 0.00 0.01 -0.10 -0.07 0.09 0.00 0.00 178.44 178.37 1vpc h LEU 68 N 0.00 0.08 -0.62 1.67 3.38 -1.47 -2.04 115.31 116.31 1vpc h LEU 68 Ca -0.00 -0.82 0.13 0.00 0.09 0.00 0.00 57.88 57.28 1vpc h LEU 68 Cb 0.02 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 1vpc h LEU 68 CO 0.00 0.89 0.05 -0.26 0.09 0.00 0.00 178.44 179.21 1vpc h PHE 69 N -0.72 0.06 -0.36 1.13 0.04 -1.18 -1.33 116.94 114.58 1vpc h PHE 69 Ca -0.01 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.83 1vpc h PHE 69 Cb 0.91 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 39.10 1vpc h PHE 69 CO 0.21 -0.12 0.17 0.82 -0.60 0.00 0.00 178.31 178.78 1vpc h ILE 70 N 0.17 0.96 -0.92 -0.55 2.04 -1.29 -1.88 117.51 116.04 1vpc h ILE 70 Ca 0.33 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 66.09 1vpc h ILE 70 Cb 0.53 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1vpc h ILE 70 CO -0.49 0.06 0.61 -0.74 0.00 0.00 0.00 178.15 177.59 1vpc h HIS 71 N 0.35 1.13 -0.29 1.37 2.76 -0.95 -1.94 115.15 117.58 1vpc h HIS 71 Ca 0.15 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.20 1vpc h HIS 71 Cb 0.08 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 1vpc h HIS 71 CO -0.11 0.68 -0.44 0.74 -1.30 0.00 0.00 177.93 177.51 1vpc h PHE 72 N 1.20 0.90 -0.05 5.26 0.04 -1.15 -2.11 116.94 121.03 1vpc h PHE 72 Ca 0.35 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1vpc h PHE 72 Cb -0.06 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 37.90 1vpc h PHE 72 CO -0.00 1.05 -0.03 0.00 -0.60 0.00 0.00 178.31 178.73 1vpc h ARG 73 N 0.60 0.10 -0.22 1.51 3.08 -1.22 -2.04 114.38 116.19 1vpc h ARG 73 Ca 0.04 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1vpc h ARG 73 Cb 1.00 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1vpc h ARG 73 CO 0.09 0.51 -0.28 0.82 -1.07 0.00 0.00 179.97 180.05 1vpc h ILE 74 N -0.31 1.32 0.00 2.04 1.08 -1.49 -3.17 117.51 116.98 1vpc h ILE 74 Ca 0.01 -1.47 -0.01 0.00 -0.39 0.00 0.00 64.86 63.00 1vpc h ILE 74 Cb 0.48 1.75 -0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1vpc h ILE 74 CO 0.01 0.46 -0.05 1.23 -0.69 0.00 0.00 178.15 179.11 1vpc h GLY 75 N 0.27 0.00 0.80 5.37 0.00 -1.49 -2.55 103.07 105.47 1vpc h GLY 75 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1vpc h GLY 75 CO 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.53 1vpc n ARG 77 N -4.60 0.93 0.00 0.00 1.85 -1.16 -4.14 116.66 109.55 1vpc n ARG 77 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 1vpc n ARG 77 Cb 0.30 -1.05 0.00 0.00 -1.05 0.00 0.00 32.46 30.66 1vpc n ARG 77 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1vpc n HIS 78 N -0.44 0.00 -3.36 2.89 -0.00 -0.97 -4.97 115.22 108.37 1vpc n HIS 78 Ca 0.00 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 1vpc n HIS 78 Cb 0.02 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.83 1vpc n HIS 78 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1vpc s SER 79 N -3.43 6.85 -0.15 0.26 1.04 -0.74 -4.62 113.70 112.91 1vpc s SER 79 Ca 0.00 1.01 -0.01 0.00 0.48 0.00 0.00 55.95 57.43 1vpc s SER 79 Cb 0.00 -2.30 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 1vpc s SER 79 CO 0.00 0.18 0.14 0.54 0.98 0.00 0.00 173.24 175.08 1vpc n ARG 80 N 2.50 -0.31 0.00 4.02 1.74 -0.53 -4.12 116.66 119.96 1vpc n ARG 80 Ca -0.10 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1vpc n ARG 80 Cb 0.52 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 1vpc n ARG 80 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1vpc n ILE 81 N -1.49 0.00 -3.17 0.55 5.41 -1.26 -4.73 119.36 114.67 1vpc n ILE 81 Ca -0.01 0.30 -0.22 0.00 1.00 0.00 0.00 62.75 63.83 1vpc n ILE 81 Cb 0.51 -1.21 -0.06 0.00 -0.71 0.00 0.00 39.64 38.17 1vpc n ILE 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vpc n GLY 82 N 1.97 2.06 2.77 7.39 0.00 -1.26 -4.93 105.19 113.18 1vpc n GLY 82 Ca 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.87 1vpc n GLY 82 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1vpc n ILE 83 N 1.98 -8.83 -3.22 -0.61 2.08 -1.26 -5.02 119.36 104.49 1vpc n ILE 83 Ca 0.22 -0.02 -0.25 0.00 0.56 0.00 0.00 62.75 63.26 1vpc n ILE 83 Cb 0.53 -6.44 -0.06 0.00 -0.75 0.00 0.00 39.64 32.92 1vpc n ILE 83 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1vpc n ILE 84 N -1.40 1.35 0.21 1.39 2.08 -1.24 -4.60 119.36 117.15 1vpc n ILE 84 Ca 0.02 -4.89 0.00 0.00 0.56 0.00 0.00 62.75 58.43 1vpc n ILE 84 Cb 0.48 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 1vpc n ILE 84 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vpc n GLN 85 N 0.67 0.00 -0.04 0.38 10.64 -1.26 -1.46 117.38 126.31 1vpc n GLN 85 Ca 0.27 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.42 1vpc n GLN 85 Cb 0.47 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.85 1vpc n GLN 85 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1vpc h GLN 86 N 0.00 0.00 -5.51 2.61 -0.00 -1.88 -3.45 115.11 106.88 1vpc h GLN 86 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 1vpc h GLN 86 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 27.48 27.36 1vpc h GLN 86 CO 0.00 0.00 0.16 0.50 0.00 0.00 0.00 178.83 179.49 1vpc s ARG 87 N -1.59 4.05 0.00 1.69 3.00 -1.26 -3.04 118.95 121.80 1vpc s ARG 87 Ca -0.06 0.48 0.00 0.00 -1.00 0.00 0.00 55.73 55.15 1vpc s ARG 87 Cb 0.01 -3.67 0.00 0.00 0.00 0.00 0.00 34.95 31.29 1vpc s ARG 87 CO 0.09 -0.46 0.00 0.54 0.00 0.00 0.00 175.30 175.47 1vpc n ARG 88 N 5.76 0.00 -0.02 5.12 1.74 -1.26 -3.69 116.66 124.30 1vpc n ARG 88 Ca -0.01 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1vpc n ARG 88 Cb 0.49 -0.31 -0.02 0.00 -1.02 0.00 0.00 32.46 31.59 1vpc n ARG 88 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1vpc n THR 89 N -2.20 0.78 -3.18 0.55 5.66 -1.24 -4.95 114.28 109.70 1vpc n THR 89 Ca 0.00 0.05 -0.35 0.00 -3.05 0.00 0.00 64.05 60.70 1vpc n THR 89 Cb 0.00 -1.69 -0.06 0.00 -1.55 0.00 0.00 70.33 67.03 1vpc n THR 89 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1vpc s ARG 90 N -2.20 4.13 -0.32 1.09 3.00 -1.00 -5.06 118.95 118.59 1vpc s ARG 90 Ca -0.11 0.73 -0.27 0.00 -1.00 0.00 0.00 55.73 55.08 1vpc s ARG 90 Cb 0.03 -2.80 0.01 0.00 0.00 0.00 0.00 34.95 32.19 1vpc s ARG 90 CO 0.14 0.37 0.99 1.21 0.00 0.00 0.00 175.30 178.01 1vpc s ASN 91 N -1.81 6.84 0.00 -2.12 2.47 -1.26 -4.39 114.94 114.67 1vpc s ASN 91 Ca 0.44 0.92 0.00 0.00 0.42 0.00 0.00 52.86 54.64 1vpc s ASN 91 Cb -0.15 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 1vpc s ASN 91 CO 0.20 -0.80 0.00 0.61 -3.72 0.00 0.00 177.10 173.38 1vpc n GLY 92 N 3.99 1.83 3.87 1.21 0.00 -1.17 -4.97 105.19 109.96 1vpc n GLY 92 Ca 0.09 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1vpc n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vpc s ALA 93 N -1.54 3.07 0.06 4.61 0.00 -1.26 -4.67 121.76 122.03 1vpc s ALA 93 Ca 0.00 -0.17 -0.37 0.00 0.00 0.00 0.00 51.96 51.43 1vpc s ALA 93 Cb 0.00 -3.04 -0.20 0.00 0.00 0.00 0.00 23.12 19.87 1vpc s ALA 93 CO 0.00 -0.77 1.54 1.03 0.00 0.00 0.00 175.76 177.56 1vpc h SER 94 N -0.36 -1.12 -2.55 0.00 0.87 -1.84 -3.37 113.55 105.17 1vpc h SER 94 Ca -0.44 0.04 -0.35 0.00 -1.23 0.00 0.00 61.79 59.80 1vpc h SER 94 Cb 1.20 0.29 -0.36 0.00 -0.44 0.00 0.00 62.40 63.09 1vpc h SER 94 CO 0.62 -0.80 -0.65 -0.75 -0.53 0.00 0.00 176.83 174.72 1vpc s LYS 95 N -5.87 0.19 0.00 2.24 2.36 -1.26 -2.39 119.74 115.02 1vpc s LYS 95 Ca -0.19 0.06 0.00 0.00 -2.55 0.00 0.00 55.97 53.29 1vpc s LYS 95 Cb 0.02 -1.20 0.00 0.00 -1.05 0.00 0.00 37.83 35.60 1vpc s LYS 95 CO 0.58 -0.74 0.12 0.45 1.55 0.00 0.00 175.35 177.31