#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afo n GLN 63 N 0.00 2.06 -0.00 5.55 10.64 -1.26 -4.86 117.38 129.51 1afo n GLN 63 Ca 0.00 0.75 -0.04 0.00 -1.83 0.00 0.00 57.00 55.88 1afo n GLN 63 Cb 0.00 -2.53 -0.01 0.00 -0.86 0.00 0.00 30.24 26.84 1afo n GLN 63 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1afo n LEU 64 N 4.38 0.91 -4.38 2.61 4.77 -1.26 -4.87 117.00 119.16 1afo n LEU 64 Ca 0.19 0.13 -0.45 0.00 -0.03 0.00 0.00 56.01 55.85 1afo n LEU 64 Cb 0.28 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1afo n LEU 64 CO 0.67 -0.29 0.77 0.00 -1.33 0.00 0.00 177.39 177.20 1afo s ALA 65 N -2.16 4.04 0.00 -1.18 0.00 -1.26 -4.78 121.76 116.42 1afo s ALA 65 Ca -0.08 -3.31 0.00 0.00 0.00 0.00 0.00 51.96 48.58 1afo s ALA 65 Cb 0.02 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1afo s ALA 65 CO 0.10 -2.50 0.00 1.58 0.00 0.00 0.00 175.76 174.94 1afo n HIS 66 N 4.54 0.00 0.00 0.00 -0.00 -1.26 -5.14 115.22 113.36 1afo n HIS 66 Ca 0.22 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.40 1afo n HIS 66 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 1afo n HIS 66 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1afo n HIS 67 N -2.25 0.00 -2.51 1.57 8.25 -1.26 -5.08 115.22 113.94 1afo n HIS 67 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1afo n HIS 67 Cb 0.00 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.18 1afo n HIS 67 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1afo n PHE 68 N -0.11 -1.33 -1.90 4.41 1.16 -1.26 -5.14 117.46 113.30 1afo n PHE 68 Ca 0.00 -1.16 0.00 0.00 -1.87 0.00 0.00 57.45 54.42 1afo n PHE 68 Cb 0.00 1.18 0.00 0.00 -1.61 0.00 0.00 39.48 39.05 1afo n PHE 68 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1afo n SER 69 N -1.00 0.00 0.00 5.98 7.64 -1.26 -5.10 113.62 119.89 1afo n SER 69 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1afo n SER 69 Cb 0.76 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 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 0.00 -1.48 1.43 -0.58 -1.26 -5.08 120.64 113.68 1afo n GLU 70 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 1afo n GLU 70 Cb 0.00 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 30.96 1afo n GLU 70 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1afo n PRO 71 N 0.00 0.72 0.00 3.49 -0.02 -1.26 -4.83 135.00 133.10 1afo n PRO 71 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1afo n PRO 71 Cb 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1afo n PRO 71 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1afo n GLU 72 N -2.20 0.00 -0.35 -0.52 1.02 -1.26 -0.86 120.64 116.48 1afo n GLU 72 Ca 0.15 0.00 0.33 0.00 -0.02 0.00 0.00 57.16 57.61 1afo n GLU 72 Cb 0.49 -0.37 0.59 0.00 -0.02 0.00 0.00 31.44 32.12 1afo n GLU 72 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1afo n ILE 73 N -0.02 -0.35 -0.10 -3.67 0.13 -1.26 0.16 119.36 114.25 1afo n ILE 73 Ca 0.00 1.86 -0.09 0.00 -1.10 0.00 0.00 62.75 63.42 1afo n ILE 73 Cb 0.00 -3.03 -0.01 0.00 -0.84 0.00 0.00 39.64 35.76 1afo n ILE 73 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 1afo h THR 74 N 0.00 1.12 -0.01 9.51 2.02 -1.95 0.82 112.91 124.41 1afo h THR 74 Ca 0.82 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.65 1afo h THR 74 Cb 2.31 0.69 0.01 0.00 -1.74 0.00 0.00 68.15 69.41 1afo h THR 74 CO -0.64 0.12 -0.29 0.25 0.37 0.00 0.00 175.52 175.32 1afo h LEU 75 N 0.44 0.28 -0.26 2.58 6.46 0.36 -1.32 115.31 123.83 1afo h LEU 75 Ca 0.12 -0.75 0.03 0.00 -0.12 0.00 0.00 57.88 57.16 1afo h LEU 75 Cb 0.01 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.83 1afo h LEU 75 CO -0.02 0.99 0.08 0.40 -0.62 0.00 0.00 178.44 179.27 1afo h ILE 76 N -0.41 0.92 -0.39 4.05 2.04 -0.85 0.44 117.51 123.32 1afo h ILE 76 Ca -0.03 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1afo h ILE 76 Cb 1.02 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1afo h ILE 76 CO 0.06 0.04 0.20 -0.29 0.00 0.00 0.00 178.15 178.15 1afo h ILE 77 N 0.20 0.99 -0.42 -0.67 6.09 -0.91 -1.90 117.51 120.90 1afo h ILE 77 Ca 0.12 -0.14 0.04 0.00 -1.37 0.00 0.00 64.86 63.51 1afo h ILE 77 Cb 0.09 0.55 -0.04 0.00 0.47 0.00 0.00 36.82 37.89 1afo h ILE 77 CO -0.13 0.07 0.18 -0.26 -3.07 0.00 0.00 178.15 174.94 1afo h PHE 78 N 0.41 0.32 -0.38 2.19 -1.00 -0.18 -0.75 116.94 117.55 1afo h PHE 78 Ca 0.16 0.02 0.04 0.00 2.81 0.00 0.00 57.97 61.00 1afo h PHE 78 Cb 0.06 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 1afo h PHE 78 CO -0.09 0.14 0.14 0.78 -1.61 0.00 0.00 178.31 177.67 1afo h GLY 79 N 0.36 0.49 0.74 -1.45 0.00 0.43 0.44 103.07 104.07 1afo h GLY 79 Ca 0.19 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1afo h GLY 79 CO -0.17 0.04 0.13 -2.08 0.00 0.00 0.00 176.54 174.47 1afo h VAL 80 N 0.30 0.92 -0.40 4.60 2.07 -0.76 -0.24 116.25 122.75 1afo h VAL 80 Ca 0.17 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1afo h VAL 80 Cb 0.14 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1afo h VAL 80 CO -0.17 0.05 0.18 0.24 0.02 0.00 0.00 177.57 177.90 1afo h MET 81 N 0.29 0.37 -0.46 1.57 2.07 -0.15 -2.12 114.93 116.49 1afo h MET 81 Ca 0.15 -0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.81 1afo h MET 81 Cb 0.11 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 29.71 1afo h MET 81 CO -0.14 0.24 0.21 0.00 1.07 0.00 0.00 176.91 178.29 1afo h ALA 82 N 1.22 0.57 -0.39 6.32 0.00 0.68 -0.14 119.26 127.53 1afo h ALA 82 Ca 0.17 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1afo h ALA 82 Cb 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1afo h ALA 82 CO -0.13 -0.16 0.15 0.78 0.00 0.00 0.00 179.25 179.88 1afo h GLY 83 N 0.42 0.50 0.73 0.00 0.00 -0.53 0.11 103.07 104.31 1afo h GLY 83 Ca 0.21 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1afo h GLY 83 CO -0.17 0.04 0.15 -2.08 0.00 0.00 0.00 176.54 174.48 1afo h VAL 84 N 0.31 0.93 -0.40 4.60 2.07 -0.73 -1.46 116.25 121.57 1afo h VAL 84 Ca 0.17 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1afo h VAL 84 Cb 0.14 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 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 0.93 -0.41 4.57 2.04 -0.09 -1.65 117.51 123.22 1afo h ILE 85 Ca 0.16 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1afo h ILE 85 Cb 0.12 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1afo h ILE 85 CO -0.15 0.06 0.17 1.23 0.00 0.00 0.00 178.15 179.46 1afo h GLY 86 N 0.36 0.54 0.71 5.37 0.00 -0.19 -0.49 103.07 109.37 1afo h GLY 86 Ca 0.18 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 86 CO -0.15 0.05 0.16 -0.84 0.00 0.00 0.00 176.54 175.76 1afo h THR 87 N 0.34 0.92 -0.40 4.70 2.02 -0.76 -0.90 112.91 118.83 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 0.14 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1afo h THR 87 CO -0.17 0.06 0.17 0.40 0.37 0.00 0.00 175.52 176.36 1afo h ILE 88 N 0.33 0.92 -0.40 3.11 2.04 -0.57 -1.46 117.51 121.48 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 0.13 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1afo h ILE 88 CO -0.16 0.06 0.17 0.25 0.00 0.00 0.00 178.15 178.47 1afo h LEU 89 N 0.35 0.21 -0.41 1.44 5.85 -0.37 -1.18 115.31 121.20 1afo h LEU 89 Ca 0.18 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1afo h LEU 89 Cb 0.13 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1afo h LEU 89 CO -0.16 0.16 0.17 -0.07 -0.34 0.00 0.00 178.44 178.20 1afo h LEU 90 N 0.35 0.20 -0.40 2.25 3.38 -0.54 -0.76 115.31 119.80 1afo h LEU 90 Ca 0.18 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1afo h LEU 90 Cb 0.14 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1afo h LEU 90 CO -0.16 0.15 0.16 0.40 0.09 0.00 0.00 178.44 179.09 1afo h ILE 91 N 0.34 0.92 -0.38 1.22 2.04 -0.63 0.88 117.51 121.90 1afo h ILE 91 Ca 0.18 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 91 Cb 0.14 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1afo h ILE 91 CO -0.17 0.06 0.14 0.28 0.00 0.00 0.00 178.15 178.47 1afo h SER 92 N 0.34 0.17 -0.37 1.72 0.02 -0.49 0.79 113.55 115.73 1afo h SER 92 Ca 0.18 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1afo h SER 92 Cb 0.13 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1afo h SER 92 CO -0.16 0.13 0.16 0.22 -1.14 0.00 0.00 176.83 176.04 1afo h TYR 93 N 0.30 0.28 -0.37 3.45 3.20 -0.28 0.35 116.97 123.91 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 0.14 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1afo h TYR 93 CO -0.14 0.13 0.15 0.78 -1.64 0.00 0.00 178.16 177.44 1afo h GLY 94 N 0.33 0.48 0.71 1.82 0.00 0.05 0.35 103.07 106.82 1afo h GLY 94 Ca 0.16 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 94 CO -0.14 0.05 0.17 -2.22 0.00 0.00 0.00 176.54 174.40 1afo h ILE 95 N 0.31 0.92 -0.41 2.60 5.03 -0.18 -0.84 117.51 124.95 1afo h ILE 95 Ca 0.17 -0.12 0.04 0.00 -0.12 0.00 0.00 64.86 64.83 1afo h ILE 95 Cb 0.12 0.54 -0.04 0.00 -3.03 0.00 0.00 36.82 34.41 1afo h ILE 95 CO -0.15 0.06 0.16 -0.09 -0.68 0.00 0.00 178.15 177.46 1afo h ARG 96 N 0.35 0.33 -0.44 2.37 2.43 -0.04 -1.52 114.38 117.86 1afo h ARG 96 Ca 0.18 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1afo h ARG 96 Cb 0.13 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1afo h ARG 96 CO -0.16 0.22 0.20 -0.09 -1.51 0.00 0.00 179.97 178.63 1afo h ARG 97 N 0.34 0.39 -0.44 0.20 2.43 -0.20 1.83 114.38 118.93 1afo h ARG 97 Ca 0.18 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1afo h ARG 97 Cb 0.14 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1afo h ARG 97 CO -0.17 0.26 0.18 1.37 -1.51 0.00 0.00 179.97 180.10 1afo h LEU 98 N 0.40 0.22 -0.37 3.80 8.10 -0.47 -1.14 115.31 125.84 1afo h LEU 98 Ca 0.19 0.04 -0.11 0.00 0.11 0.00 0.00 57.88 58.11 1afo h LEU 98 Cb 0.13 0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.34 1afo h LEU 98 CO -0.16 0.16 -0.53 0.16 -4.11 0.00 0.00 178.44 173.97 1afo h ILE 99 N 0.37 1.01 -3.65 0.15 3.07 -0.57 -3.42 117.51 114.48 1afo h ILE 99 Ca 0.20 -2.13 -0.63 0.00 1.55 0.00 0.00 64.86 63.84 1afo h ILE 99 Cb 0.16 2.29 -0.14 0.00 -0.27 0.00 0.00 36.82 38.86 1afo h ILE 99 CO -0.18 0.52 -0.12 -0.75 -1.05 0.00 0.00 178.15 176.57 1afo s LYS 100 N -3.18 3.88 0.00 0.16 2.47 0.62 -5.09 119.74 118.60 1afo s LYS 100 Ca 0.02 0.03 0.00 0.00 -1.56 0.00 0.00 55.97 54.46 1afo s LYS 100 Cb 0.09 -3.71 0.00 0.00 -1.46 0.00 0.00 37.83 32.75 1afo s LYS 100 CO 0.73 -0.42 0.00 1.17 0.16 0.00 0.00 175.35 176.99