#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afo s GLN 63 N 0.00 3.32 0.55 5.55 1.03 -1.26 -5.11 119.66 123.75 1afo s GLN 63 Ca 0.00 -0.66 0.03 0.00 0.04 0.00 0.00 55.36 54.77 1afo s GLN 63 Cb 0.00 -2.90 0.03 0.00 0.03 0.00 0.00 33.01 30.17 1afo s GLN 63 CO 0.00 -0.15 0.24 -0.51 -2.54 0.00 0.00 175.29 172.33 1afo s LEU 64 N 1.30 2.42 -0.80 2.60 1.43 -1.26 -4.63 118.68 119.74 1afo s LEU 64 Ca 0.04 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.65 1afo s LEU 64 Cb -0.14 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.16 1afo s LEU 64 CO -0.04 -1.07 0.00 0.00 0.23 0.00 0.00 176.35 175.47 1afo n ALA 65 N -1.60 -0.12 -2.47 4.21 0.00 -1.26 -4.97 120.51 114.31 1afo n ALA 65 Ca -0.11 0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.20 1afo n ALA 65 Cb 0.66 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 1afo n ALA 65 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1afo s HIS 66 N -1.96 2.50 0.00 0.00 3.76 -1.26 -5.05 115.29 113.28 1afo s HIS 66 Ca 0.00 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1afo s HIS 66 Cb 0.00 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.77 1afo s HIS 66 CO 0.00 0.17 0.00 0.72 -0.85 0.00 0.00 174.74 174.78 1afo n HIS 67 N -1.25 0.00 -2.16 1.40 8.25 -1.26 -5.14 115.22 115.06 1afo n HIS 67 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 1afo n HIS 67 Cb 0.65 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.75 1afo n HIS 67 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1afo s PHE 68 N 0.00 3.45 -0.42 4.41 0.08 -1.26 -5.02 117.98 119.22 1afo s PHE 68 Ca 0.00 1.41 -0.09 0.00 0.12 0.00 0.00 56.93 58.38 1afo s PHE 68 Cb 0.00 -2.79 0.08 0.00 -0.57 0.00 0.00 43.02 39.74 1afo s PHE 68 CO 0.00 -0.57 0.26 0.45 -0.10 0.00 0.00 175.22 175.26 1afo s SER 69 N -3.43 5.60 0.20 1.36 0.15 -1.26 -4.97 113.70 111.36 1afo s SER 69 Ca 0.58 -1.56 -0.20 0.00 0.70 0.00 0.00 55.95 55.47 1afo s SER 69 Cb -0.11 -1.97 0.15 0.00 -1.71 0.00 0.00 66.02 62.38 1afo s SER 69 CO 0.40 -0.54 1.57 -0.33 1.20 0.00 0.00 173.24 175.54 1afo h GLU 70 N 8.38 -0.11 -3.59 5.44 4.39 -2.07 -2.32 114.58 124.69 1afo h GLU 70 Ca -0.22 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.39 1afo h GLU 70 Cb 1.08 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1afo h GLU 70 CO 0.76 -0.07 1.24 -0.35 -1.16 0.00 0.00 179.01 179.43 1afo n PRO 71 N -5.44 0.59 -0.01 2.33 -0.04 -1.26 -4.50 135.00 126.66 1afo n PRO 71 Ca 0.06 -0.66 -0.12 0.00 -0.04 0.00 0.00 63.50 62.74 1afo n PRO 71 Cb 0.37 -2.02 -0.08 0.00 -0.04 0.00 0.00 33.50 31.73 1afo n PRO 71 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1afo h GLU 72 N 7.01 0.09 -0.87 0.54 5.08 -1.85 -1.91 114.58 122.66 1afo h GLU 72 Ca 0.13 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1afo h GLU 72 Cb 0.10 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1afo h GLU 72 CO 0.98 0.37 0.54 0.97 -1.00 0.00 0.00 179.01 180.87 1afo h ILE 73 N -0.20 1.24 -0.27 3.13 -0.00 -1.90 0.27 117.51 119.78 1afo h ILE 73 Ca 0.01 -0.50 -0.01 0.00 -0.00 0.00 0.00 64.86 64.37 1afo h ILE 73 Cb 0.33 -0.00 -0.01 0.00 -0.00 0.00 0.00 36.82 37.13 1afo h ILE 73 CO 0.00 0.25 0.15 0.71 -0.00 0.00 0.00 178.15 179.26 1afo h THR 74 N 1.20 1.13 -0.19 2.19 1.35 -1.88 0.15 112.91 116.85 1afo h THR 74 Ca 0.31 -0.34 -0.04 0.00 -0.55 0.00 0.00 66.41 65.80 1afo h THR 74 Cb -0.07 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 1afo h THR 74 CO -0.06 0.13 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.24 1afo h LEU 75 N 0.32 0.35 -0.36 3.87 3.38 -0.83 -1.54 115.31 120.50 1afo h LEU 75 Ca 0.10 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1afo h LEU 75 Cb 0.07 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1afo h LEU 75 CO -0.01 0.61 0.12 0.40 0.09 0.00 0.00 178.44 179.65 1afo h ILE 76 N 0.08 0.88 -0.30 1.22 2.04 -0.28 0.12 117.51 121.28 1afo h ILE 76 Ca 0.05 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1afo h ILE 76 Cb 0.45 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1afo h ILE 76 CO 0.02 0.05 0.12 0.40 0.00 0.00 0.00 178.15 178.73 1afo h ILE 77 N 0.26 0.93 -0.25 -0.67 2.04 -0.59 0.26 117.51 119.50 1afo h ILE 77 Ca 0.17 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 77 Cb 0.15 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1afo h ILE 77 CO -0.18 0.05 0.08 -0.26 0.00 0.00 0.00 178.15 177.84 1afo h PHE 78 N 0.26 0.15 -0.35 1.37 -1.00 -0.44 0.11 116.94 117.04 1afo h PHE 78 Ca 0.13 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.96 1afo h PHE 78 Cb 0.09 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 1afo h PHE 78 CO -0.13 0.07 0.16 0.78 -1.61 0.00 0.00 178.31 177.58 1afo h GLY 79 N 0.19 0.46 0.72 -1.45 0.00 -0.25 -1.50 103.07 101.23 1afo h GLY 79 Ca 0.11 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1afo h GLY 79 CO -0.11 0.07 0.15 -2.08 0.00 0.00 0.00 176.54 174.57 1afo h VAL 80 N 0.33 0.92 -0.37 4.60 2.07 0.17 -0.74 116.25 123.22 1afo h VAL 80 Ca 0.15 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1afo h VAL 80 Cb 0.08 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1afo h VAL 80 CO -0.12 0.06 0.15 0.24 0.02 0.00 0.00 177.57 177.92 1afo h MET 81 N 0.32 0.31 -0.45 1.57 2.07 -0.29 -1.44 114.93 117.01 1afo h MET 81 Ca 0.17 -0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.82 1afo h MET 81 Cb 0.12 -0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 29.74 1afo h MET 81 CO -0.15 0.20 0.21 0.00 1.07 0.00 0.00 176.91 178.24 1afo h ALA 82 N 1.23 0.56 -0.40 6.32 0.00 -0.64 -1.82 119.26 124.51 1afo h ALA 82 Ca 0.17 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1afo h ALA 82 Cb 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1afo h ALA 82 CO -0.15 -0.15 0.16 0.78 0.00 0.00 0.00 179.25 179.88 1afo h GLY 83 N 0.42 0.53 0.72 0.00 0.00 -0.40 -0.99 103.07 103.35 1afo h GLY 83 Ca 0.20 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1afo h GLY 83 CO -0.16 0.05 0.14 -2.08 0.00 0.00 0.00 176.54 174.49 1afo h VAL 84 N 0.34 0.91 -0.38 4.60 2.07 -0.71 -0.69 116.25 122.39 1afo h VAL 84 Ca 0.18 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1afo h VAL 84 Cb 0.14 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1afo h VAL 84 CO -0.16 0.05 0.16 0.40 0.02 0.00 0.00 177.57 178.04 1afo h ILE 85 N 0.29 0.93 -0.41 4.57 2.04 -0.77 -1.72 117.51 122.44 1afo h ILE 85 Ca 0.16 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1afo h ILE 85 Cb 0.12 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1afo h ILE 85 CO -0.15 0.06 0.18 1.23 0.00 0.00 0.00 178.15 179.46 1afo h GLY 86 N 0.33 0.55 0.69 5.37 0.00 -0.52 -0.91 103.07 108.58 1afo h GLY 86 Ca 0.17 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1afo h GLY 86 CO -0.15 0.06 0.16 -0.84 0.00 0.00 0.00 176.54 175.77 1afo h THR 87 N 0.36 0.91 -0.41 4.70 2.02 -0.60 0.49 112.91 120.39 1afo h THR 87 Ca 0.18 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1afo h THR 87 Cb 0.13 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1afo h THR 87 CO -0.16 0.06 0.17 0.40 0.37 0.00 0.00 175.52 176.37 1afo h ILE 88 N 0.33 0.93 -0.42 3.11 2.04 -0.70 -1.12 117.51 121.66 1afo h ILE 88 Ca 0.18 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 88 Cb 0.14 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1afo h ILE 88 CO -0.17 0.07 0.19 0.25 0.00 0.00 0.00 178.15 178.49 1afo h LEU 89 N 0.36 0.25 -0.42 1.44 5.85 -0.27 -1.36 115.31 121.15 1afo h LEU 89 Ca 0.18 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1afo h LEU 89 Cb 0.13 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1afo h LEU 89 CO -0.16 0.18 0.18 0.25 -0.34 0.00 0.00 178.44 178.55 1afo h LEU 90 N 0.38 0.22 -0.41 2.25 6.46 -0.10 0.10 115.31 124.21 1afo h LEU 90 Ca 0.19 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 1afo h LEU 90 Cb 0.13 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.02 1afo h LEU 90 CO -0.16 0.16 0.17 0.40 -0.62 0.00 0.00 178.44 178.40 1afo h ILE 91 N 0.36 0.92 -0.37 4.05 2.04 -0.58 0.24 117.51 124.16 1afo h ILE 91 Ca 0.19 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 91 Cb 0.15 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1afo h ILE 91 CO -0.17 0.07 0.14 0.77 0.00 0.00 0.00 178.15 178.96 1afo h SER 92 N 0.36 0.17 -0.35 1.72 4.64 -0.43 0.15 113.55 119.82 1afo h SER 92 Ca 0.19 0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.58 1afo h SER 92 Cb 0.14 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 1afo h SER 92 CO -0.16 0.14 0.14 0.22 -0.87 0.00 0.00 176.83 176.29 1afo h TYR 93 N 0.31 0.24 -0.40 4.77 3.20 0.09 0.07 116.97 125.25 1afo h TYR 93 Ca 0.17 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1afo h TYR 93 Cb 0.13 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1afo h TYR 93 CO -0.13 0.11 0.17 0.78 -1.64 0.00 0.00 178.16 177.45 1afo h GLY 94 N 0.29 0.53 0.71 1.82 0.00 0.33 -0.58 103.07 106.18 1afo h GLY 94 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1afo h GLY 94 CO -0.15 0.07 0.18 -2.22 0.00 0.00 0.00 176.54 174.42 1afo h ILE 95 N 0.36 0.92 -0.40 2.60 2.04 0.01 -0.94 117.51 122.10 1afo h ILE 95 Ca 0.18 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1afo h ILE 95 Cb 0.12 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1afo h ILE 95 CO -0.15 0.07 0.16 -0.09 0.00 0.00 0.00 178.15 178.14 1afo h ARG 96 N 0.37 0.33 -0.41 2.37 2.43 -0.16 -1.31 114.38 118.01 1afo h ARG 96 Ca 0.19 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1afo h ARG 96 Cb 0.14 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1afo h ARG 96 CO -0.16 0.22 0.18 -0.09 -1.51 0.00 0.00 179.97 178.61 1afo h ARG 97 N 0.34 0.36 -0.42 0.20 2.43 -0.37 0.65 114.38 117.58 1afo h ARG 97 Ca 0.18 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1afo h ARG 97 Cb 0.14 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1afo h ARG 97 CO -0.17 0.24 0.17 1.25 -1.51 0.00 0.00 179.97 179.95 1afo h LEU 98 N 0.37 0.21 -1.08 3.80 5.85 -0.53 0.67 115.31 124.60 1afo h LEU 98 Ca 0.18 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1afo h LEU 98 Cb 0.12 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1afo h LEU 98 CO -0.15 0.16 0.00 0.16 -0.34 0.00 0.00 178.44 178.27 1afo h ILE 99 N 0.35 0.00 -3.45 4.05 3.07 -0.59 -3.35 117.51 117.59 1afo h ILE 99 Ca 0.19 -0.61 -0.71 0.00 1.55 0.00 0.00 64.86 65.28 1afo h ILE 99 Cb 0.15 1.60 -0.34 0.00 -0.27 0.00 0.00 36.82 37.95 1afo h ILE 99 CO -0.17 0.00 -0.16 -0.75 -1.05 0.00 0.00 178.15 176.02 1afo s LYS 100 N -3.54 3.08 0.00 0.16 2.47 0.22 -5.08 119.74 117.05 1afo s LYS 100 Ca 0.03 -2.95 0.00 0.00 -1.56 0.00 0.00 55.97 51.48 1afo s LYS 100 Cb 0.08 -3.93 0.00 0.00 -1.46 0.00 0.00 37.83 32.52 1afo s LYS 100 CO 0.57 -1.23 0.00 1.17 0.16 0.00 0.00 175.35 176.01