#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 1.19 0.00 1.45 1.03 -1.26 -5.09 119.66 116.99 1afo s GLN 63 Ca 0.00 -0.90 0.00 0.00 0.04 0.00 0.00 55.36 54.50 1afo s GLN 63 Cb 0.00 -1.28 0.00 0.00 0.03 0.00 0.00 33.01 31.76 1afo s GLN 63 CO 0.00 0.32 0.00 1.28 -2.54 0.00 0.00 175.29 174.35 1afo n LEU 64 N 1.78 0.68 -4.03 2.60 4.32 -1.26 -5.00 117.00 116.10 1afo n LEU 64 Ca -0.18 0.06 -0.24 0.00 -0.02 0.00 0.00 56.01 55.64 1afo n LEU 64 Cb 0.54 -0.17 -0.16 0.00 -1.62 0.00 0.00 43.42 42.01 1afo n LEU 64 CO 0.23 -0.17 -0.46 0.00 -1.22 0.00 0.00 177.39 175.77 1afo s ALA 65 N -4.09 1.17 0.27 -1.18 0.00 -1.26 -4.99 121.76 111.67 1afo s ALA 65 Ca 0.00 -0.41 0.35 0.00 0.00 0.00 0.00 51.96 51.90 1afo s ALA 65 Cb 0.00 -0.49 1.85 0.00 0.00 0.00 0.00 23.12 24.48 1afo s ALA 65 CO 0.00 0.14 2.08 1.25 0.00 0.00 0.00 175.76 179.22 1afo h HIS 66 N 6.75 0.00 0.00 0.00 2.76 -2.05 -3.38 115.15 119.23 1afo h HIS 66 Ca -0.32 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 1afo h HIS 66 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1afo h HIS 66 CO 0.47 0.00 0.00 -2.39 -1.30 0.00 0.00 177.93 174.71 1afo n HIS 67 N -2.78 0.00 -2.04 5.26 -0.00 -1.26 -5.14 115.22 109.26 1afo n HIS 67 Ca -0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.73 1afo n HIS 67 Cb 0.09 0.01 -0.01 0.00 -0.00 0.00 0.00 29.99 30.08 1afo n HIS 67 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1afo n PHE 68 N -1.11 -1.88 -3.48 -1.40 7.35 -1.26 -5.07 117.46 110.61 1afo n PHE 68 Ca 0.00 0.23 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 1afo n PHE 68 Cb 0.00 -0.40 0.00 0.00 0.35 0.00 0.00 39.48 39.43 1afo n PHE 68 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1afo n SER 69 N -0.94 0.00 -2.61 -2.13 7.64 -1.26 -5.11 113.62 109.20 1afo n SER 69 Ca 0.00 -0.70 -0.05 0.00 1.01 0.00 0.00 58.87 59.13 1afo n SER 69 Cb 0.09 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 1afo n SER 69 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1afo n GLU 70 N 0.00 -4.43 -0.22 1.43 4.71 -1.26 -4.61 120.64 116.27 1afo n GLU 70 Ca 0.00 3.33 0.00 0.00 -0.01 0.00 0.00 57.16 60.48 1afo n GLU 70 Cb 0.00 -4.70 0.23 0.00 -1.01 0.00 0.00 31.44 25.96 1afo n GLU 70 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1afo h PRO 71 N 4.23 1.00 -0.02 3.49 0.10 -1.99 -2.95 132.00 135.87 1afo h PRO 71 Ca -0.48 -0.07 0.00 0.00 0.10 0.00 0.00 66.00 65.55 1afo h PRO 71 Cb 1.08 -0.22 -0.00 0.00 0.10 0.00 0.00 31.00 31.96 1afo h PRO 71 CO 0.01 0.68 -0.04 1.05 0.10 0.00 0.00 178.00 179.80 1afo h GLU 72 N 1.03 -0.03 -0.99 1.05 9.09 -2.00 0.30 114.58 123.03 1afo h GLU 72 Ca 0.27 0.00 0.21 0.00 0.05 0.00 0.00 59.36 59.90 1afo h GLU 72 Cb -0.09 0.01 -0.10 0.00 -1.65 0.00 0.00 28.75 26.92 1afo h GLU 72 CO -0.06 -0.02 0.62 0.97 0.05 0.00 0.00 179.01 180.57 1afo h ILE 73 N -0.03 0.66 -0.38 -1.06 6.09 -1.85 0.15 117.51 121.08 1afo h ILE 73 Ca 0.00 -0.21 0.03 0.00 -1.37 0.00 0.00 64.86 63.31 1afo h ILE 73 Cb 0.04 -0.01 -0.03 0.00 0.47 0.00 0.00 36.82 37.29 1afo h ILE 73 CO -0.03 0.11 0.18 0.74 -3.07 0.00 0.00 178.15 176.08 1afo h THR 74 N 0.62 0.98 -0.17 2.19 2.02 -0.86 0.25 112.91 117.93 1afo h THR 74 Ca 0.56 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.58 1afo h THR 74 Cb 1.08 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1afo h THR 74 CO -0.33 0.07 -0.04 0.25 0.37 0.00 0.00 175.52 175.84 1afo h LEU 75 N 0.38 0.33 -0.36 2.58 6.46 0.21 -1.18 115.31 123.73 1afo h LEU 75 Ca 0.16 -0.36 0.04 0.00 -0.12 0.00 0.00 57.88 57.60 1afo h LEU 75 Cb 0.07 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.87 1afo h LEU 75 CO -0.11 0.62 0.13 0.40 -0.62 0.00 0.00 178.44 178.85 1afo h ILE 76 N 0.04 0.90 -0.31 4.05 2.04 -0.63 0.12 117.51 123.71 1afo h ILE 76 Ca 0.04 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1afo h ILE 76 Cb 0.47 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1afo h ILE 76 CO 0.02 0.05 0.13 0.40 0.00 0.00 0.00 178.15 178.74 1afo h ILE 77 N 0.28 0.94 -0.29 -0.67 2.04 -0.41 0.92 117.51 120.32 1afo h ILE 77 Ca 0.16 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 77 Cb 0.14 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1afo h ILE 77 CO -0.17 0.05 0.10 -0.26 0.00 0.00 0.00 178.15 177.88 1afo h PHE 78 N 0.27 0.19 -0.33 1.37 -1.00 -0.37 0.18 116.94 117.24 1afo h PHE 78 Ca 0.14 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.96 1afo h PHE 78 Cb 0.09 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.57 1afo h PHE 78 CO -0.12 0.09 0.13 0.78 -1.61 0.00 0.00 178.31 177.58 1afo h GLY 79 N 0.23 0.43 0.75 -1.45 0.00 -0.27 0.35 103.07 103.10 1afo h GLY 79 Ca 0.13 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1afo h GLY 79 CO -0.13 0.05 0.16 -2.08 0.00 0.00 0.00 176.54 174.55 1afo h VAL 80 N 0.29 0.94 -0.41 4.60 2.07 -0.16 -0.63 116.25 122.94 1afo h VAL 80 Ca 0.14 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1afo h VAL 80 Cb 0.09 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1afo h VAL 80 CO -0.13 0.06 0.18 0.24 0.02 0.00 0.00 177.57 177.94 1afo h MET 81 N 0.34 0.35 -0.48 1.57 2.07 0.03 -1.54 114.93 117.27 1afo h MET 81 Ca 0.17 -0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.82 1afo h MET 81 Cb 0.11 -0.08 -0.05 0.00 -1.87 0.00 0.00 31.60 29.71 1afo h MET 81 CO -0.14 0.23 0.22 0.00 1.07 0.00 0.00 176.91 178.29 1afo h ALA 82 N 1.24 0.60 -0.42 6.32 0.00 -0.19 -1.28 119.26 125.53 1afo h ALA 82 Ca 0.18 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1afo h ALA 82 Cb 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1afo h ALA 82 CO -0.16 -0.15 0.17 0.78 0.00 0.00 0.00 179.25 179.90 1afo h GLY 83 N 0.43 0.55 0.69 0.00 0.00 -0.34 -0.22 103.07 104.19 1afo h GLY 83 Ca 0.22 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1afo h GLY 83 CO -0.17 0.05 0.15 -2.08 0.00 0.00 0.00 176.54 174.49 1afo h VAL 84 N 0.35 0.91 -0.41 4.60 2.07 -0.56 -0.53 116.25 122.68 1afo h VAL 84 Ca 0.19 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1afo h VAL 84 Cb 0.15 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1afo h VAL 84 CO -0.17 0.06 0.17 0.40 0.02 0.00 0.00 177.57 178.05 1afo h ILE 85 N 0.32 0.92 -0.42 4.57 2.04 -0.46 -1.58 117.51 122.91 1afo h ILE 85 Ca 0.18 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 85 Cb 0.14 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1afo h ILE 85 CO -0.17 0.07 0.18 1.23 0.00 0.00 0.00 178.15 179.46 1afo h GLY 86 N 0.36 0.56 0.68 5.37 0.00 -0.24 -0.38 103.07 109.42 1afo h GLY 86 Ca 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 86 CO -0.16 0.06 0.13 -0.84 0.00 0.00 0.00 176.54 175.74 1afo h THR 87 N 0.37 0.89 -0.39 4.70 2.02 -0.48 0.17 112.91 120.20 1afo h THR 87 Ca 0.19 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1afo h THR 87 Cb 0.14 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1afo h THR 87 CO -0.16 0.05 0.16 0.40 0.37 0.00 0.00 175.52 176.34 1afo h ILE 88 N 0.29 0.93 -0.43 3.11 2.04 -0.63 -1.08 117.51 121.74 1afo h ILE 88 Ca 0.17 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 88 Cb 0.15 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1afo h ILE 88 CO -0.17 0.06 0.19 0.25 0.00 0.00 0.00 178.15 178.48 1afo h LEU 89 N 0.34 0.26 -0.42 1.44 5.85 -0.10 -1.17 115.31 121.50 1afo h LEU 89 Ca 0.17 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1afo h LEU 89 Cb 0.12 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1afo h LEU 89 CO -0.15 0.19 0.16 0.25 -0.34 0.00 0.00 178.44 178.55 1afo h LEU 90 N 0.39 0.19 -0.40 2.25 5.85 0.16 0.20 115.31 123.95 1afo h LEU 90 Ca 0.19 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1afo h LEU 90 Cb 0.13 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1afo h LEU 90 CO -0.16 0.15 0.16 0.40 -0.34 0.00 0.00 178.44 178.65 1afo h ILE 91 N 0.34 0.92 -0.38 4.05 2.04 -0.60 0.25 117.51 124.13 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 0.16 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1afo h ILE 91 CO -0.18 0.06 0.15 0.77 0.00 0.00 0.00 178.15 178.96 1afo h SER 92 N 0.34 0.19 -0.31 1.72 4.64 -0.21 0.56 113.55 120.49 1afo h SER 92 Ca 0.18 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.56 1afo h SER 92 Cb 0.13 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 1afo h SER 92 CO -0.16 0.15 0.11 0.22 -0.87 0.00 0.00 176.83 176.28 1afo h TYR 93 N 0.32 0.20 -0.26 4.77 5.03 0.56 -0.76 116.97 126.84 1afo h TYR 93 Ca 0.17 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.52 1afo h TYR 93 Cb 0.13 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.34 1afo h TYR 93 CO -0.13 0.09 0.10 0.78 -1.32 0.00 0.00 178.16 177.68 1afo h GLY 94 N 0.25 0.33 0.77 1.82 0.00 0.34 -0.26 103.07 106.32 1afo h GLY 94 Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 94 CO -0.14 0.04 0.18 1.19 0.00 0.00 0.00 176.54 177.81 1afo h ILE 95 N 0.22 0.95 -0.40 2.60 6.09 -0.54 -1.13 117.51 125.31 1afo h ILE 95 Ca 0.11 -0.12 0.04 0.00 -1.37 0.00 0.00 64.86 63.52 1afo h ILE 95 Cb 0.07 0.56 -0.04 0.00 0.47 0.00 0.00 36.82 37.88 1afo h ILE 95 CO -0.11 0.07 0.16 0.03 -3.07 0.00 0.00 178.15 175.23 1afo h ARG 96 N 0.36 0.33 -0.42 2.19 3.08 -0.64 -0.97 114.38 118.31 1afo h ARG 96 Ca 0.17 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.24 1afo h ARG 96 Cb 0.09 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1afo h ARG 96 CO -0.13 0.22 0.18 0.00 -1.07 0.00 0.00 179.97 179.17 1afo h ARG 97 N 0.34 0.36 -0.43 0.04 3.08 -0.39 -1.73 114.38 115.66 1afo h ARG 97 Ca 0.18 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.26 1afo h ARG 97 Cb 0.14 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1afo h ARG 97 CO -0.17 0.24 0.17 1.25 -1.07 0.00 0.00 179.97 180.39 1afo h LEU 98 N 0.37 0.21 -3.22 3.04 5.85 -0.53 -0.81 115.31 120.22 1afo h LEU 98 Ca 0.19 0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.76 1afo h LEU 98 Cb 0.14 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 1afo h LEU 98 CO -0.16 0.16 0.24 2.30 -0.34 0.00 0.00 178.44 180.64 1afo n ILE 99 N -4.97 2.39 -3.24 4.05 -5.35 -0.43 -4.64 119.36 107.16 1afo n ILE 99 Ca 0.03 -1.13 -0.03 0.00 -0.27 0.00 0.00 62.75 61.35 1afo n ILE 99 Cb 0.14 -1.36 -0.03 0.00 -1.74 0.00 0.00 39.64 36.65 1afo n ILE 99 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1afo s LYS 100 N -1.07 0.48 0.00 6.28 2.47 -0.31 -4.96 119.74 122.63 1afo s LYS 100 Ca 0.18 0.42 0.00 0.00 -1.56 0.00 0.00 55.97 55.01 1afo s LYS 100 Cb 0.14 -0.03 0.00 0.00 -1.46 0.00 0.00 37.83 36.48 1afo s LYS 100 CO 0.00 -0.95 0.00 1.17 0.16 0.00 0.00 175.35 175.73