#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 0.45 -1.32 1.45 0.00 -1.26 -5.05 119.66 113.93 1afo s GLN 63 Ca 0.00 -0.23 -0.09 0.00 -0.00 0.00 0.00 55.36 55.04 1afo s GLN 63 Cb 0.00 0.16 0.13 0.00 0.00 0.00 0.00 33.01 33.31 1afo s GLN 63 CO 0.00 -0.20 2.04 -0.11 0.00 0.00 0.00 175.29 177.02 1afo n LEU 64 N -0.39 6.99 -0.00 2.60 -0.00 -1.26 -4.42 117.00 120.52 1afo n LEU 64 Ca -0.06 -4.61 0.05 0.00 -0.00 0.00 0.00 56.01 51.38 1afo n LEU 64 Cb 0.62 -1.48 -0.07 0.00 -0.00 0.00 0.00 43.42 42.48 1afo n LEU 64 CO 0.11 1.49 -0.36 0.00 -0.00 0.00 0.00 177.39 178.63 1afo n ALA 65 N 3.78 2.78 -2.70 1.96 0.00 -1.26 -4.79 120.51 120.27 1afo n ALA 65 Ca 0.46 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 1afo n ALA 65 Cb 0.34 -0.35 0.10 0.00 0.00 0.00 0.00 19.45 19.54 1afo n ALA 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1afo n HIS 66 N -1.58 -2.27 -4.20 0.00 8.25 -1.26 -5.14 115.22 109.02 1afo n HIS 66 Ca -0.00 -1.79 -0.13 0.00 -0.26 0.00 0.00 57.72 55.54 1afo n HIS 66 Cb 0.21 1.54 -0.10 0.00 1.12 0.00 0.00 29.99 32.77 1afo n HIS 66 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1afo s HIS 67 N 0.20 1.07 0.00 4.41 3.76 -1.26 -5.15 115.29 118.31 1afo s HIS 67 Ca 0.20 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 1afo s HIS 67 Cb 0.32 -0.58 0.00 0.00 1.11 0.00 0.00 32.58 33.43 1afo s HIS 67 CO -0.08 -0.02 0.00 1.19 -0.85 0.00 0.00 174.74 174.98 1afo n PHE 68 N 0.11 -1.22 -3.85 1.40 3.01 -1.26 -5.00 117.46 110.65 1afo n PHE 68 Ca -0.13 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.96 1afo n PHE 68 Cb 0.60 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.00 1afo n PHE 68 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1afo s SER 69 N -1.52 6.38 -0.78 4.37 0.15 -1.26 -4.57 113.70 116.47 1afo s SER 69 Ca 0.00 0.45 -0.01 0.00 0.70 0.00 0.00 55.95 57.09 1afo s SER 69 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1afo s SER 69 CO 0.00 0.37 0.63 -0.62 1.20 0.00 0.00 173.24 174.83 1afo n GLU 70 N 2.19 -1.50 -1.58 5.44 4.71 -1.26 -4.67 120.64 123.98 1afo n GLU 70 Ca -0.19 1.03 -0.15 0.00 -0.01 0.00 0.00 57.16 57.83 1afo n GLU 70 Cb 0.54 -3.42 -0.07 0.00 -1.01 0.00 0.00 31.44 27.49 1afo n GLU 70 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 1afo s PRO 71 N -4.23 1.64 0.00 3.49 0.02 -1.26 -4.86 135.00 129.80 1afo s PRO 71 Ca 0.02 0.55 0.00 0.00 0.02 0.00 0.00 61.00 61.59 1afo s PRO 71 Cb -0.00 -4.77 0.00 0.00 0.02 0.00 0.00 34.50 29.75 1afo s PRO 71 CO 0.85 -4.35 0.00 -0.85 -0.33 0.00 0.00 177.00 172.31 1afo n GLU 72 N 8.84 0.00 -0.46 5.54 0.28 -1.26 -0.04 120.64 133.54 1afo n GLU 72 Ca 0.46 0.00 0.39 0.00 -0.16 0.00 0.00 57.16 57.85 1afo n GLU 72 Cb 0.44 -0.30 0.70 0.00 1.43 0.00 0.00 31.44 33.71 1afo n GLU 72 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 1afo h ILE 73 N 0.00 0.22 -0.24 3.84 6.09 -1.98 0.67 117.51 126.11 1afo h ILE 73 Ca 0.00 -0.03 -0.01 0.00 -1.37 0.00 0.00 64.86 63.45 1afo h ILE 73 Cb 0.00 0.13 -0.01 0.00 0.47 0.00 0.00 36.82 37.41 1afo h ILE 73 CO 0.00 0.02 0.09 0.74 -3.07 0.00 0.00 178.15 175.93 1afo h THR 74 N 0.08 1.17 -0.10 2.19 2.02 -1.94 0.14 112.91 116.47 1afo h THR 74 Ca 0.75 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 67.35 1afo h THR 74 Cb 2.66 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 70.14 1afo h THR 74 CO -0.19 0.18 -0.14 0.25 0.37 0.00 0.00 175.52 175.99 1afo h LEU 75 N 0.24 0.30 -0.37 2.58 6.46 0.40 -0.26 115.31 124.66 1afo h LEU 75 Ca 0.08 -0.52 0.04 0.00 -0.12 0.00 0.00 57.88 57.36 1afo h LEU 75 Cb 0.19 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 1afo h LEU 75 CO -0.01 0.76 0.13 0.40 -0.62 0.00 0.00 178.44 179.11 1afo h ILE 76 N -0.15 0.90 -0.36 4.05 2.04 -1.08 0.34 117.51 123.25 1afo h ILE 76 Ca 0.01 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1afo h ILE 76 Cb 0.69 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1afo h ILE 76 CO 0.03 0.05 0.15 0.40 0.00 0.00 0.00 178.15 178.79 1afo h ILE 77 N 0.29 0.94 -0.40 -0.67 2.04 -0.68 -1.02 117.51 118.01 1afo h ILE 77 Ca 0.17 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 77 Cb 0.14 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1afo h ILE 77 CO -0.17 0.06 0.17 -0.26 0.00 0.00 0.00 178.15 177.96 1afo h PHE 78 N 0.32 0.32 -0.37 1.37 -1.00 0.24 0.52 116.94 118.34 1afo h PHE 78 Ca 0.16 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.99 1afo h PHE 78 Cb 0.10 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.54 1afo h PHE 78 CO -0.12 0.15 0.14 0.78 -1.61 0.00 0.00 178.31 177.65 1afo h GLY 79 N 0.36 0.48 0.75 -1.45 0.00 0.28 0.37 103.07 103.85 1afo h GLY 79 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1afo h GLY 79 CO -0.15 0.04 0.13 -2.08 0.00 0.00 0.00 176.54 174.48 1afo h VAL 80 N 0.30 0.93 -0.37 4.60 2.07 -0.50 -0.67 116.25 122.60 1afo h VAL 80 Ca 0.17 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1afo h VAL 80 Cb 0.13 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1afo h VAL 80 CO -0.16 0.05 0.17 0.24 0.02 0.00 0.00 177.57 177.89 1afo h MET 81 N 0.29 0.33 -0.42 1.57 2.07 0.06 -1.84 114.93 116.99 1afo h MET 81 Ca 0.15 -0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.80 1afo h MET 81 Cb 0.10 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 29.72 1afo h MET 81 CO -0.14 0.22 0.19 0.00 1.07 0.00 0.00 176.91 178.25 1afo h ALA 82 N 1.21 0.52 -0.36 6.32 0.00 0.48 0.63 119.26 128.06 1afo h ALA 82 Ca 0.16 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.14 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 -0.18 0.14 0.78 0.00 0.00 0.00 179.25 179.86 1afo h GLY 83 N 0.38 0.47 0.75 0.00 0.00 -0.69 -1.30 103.07 102.69 1afo h GLY 83 Ca 0.19 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.46 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 0.31 0.93 -0.35 4.60 2.07 -0.53 -1.63 116.25 121.64 1afo h VAL 84 Ca 0.16 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1afo h VAL 84 Cb 0.12 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1afo h VAL 84 CO -0.15 0.05 0.14 -0.29 0.02 0.00 0.00 177.57 177.34 1afo h ILE 85 N 0.30 0.92 -0.34 4.57 6.09 -0.22 0.95 117.51 129.77 1afo h ILE 85 Ca 0.15 -0.10 0.04 0.00 -1.37 0.00 0.00 64.86 63.58 1afo h ILE 85 Cb 0.11 0.60 -0.03 0.00 0.47 0.00 0.00 36.82 37.96 1afo h ILE 85 CO -0.14 0.05 0.13 1.23 -3.07 0.00 0.00 178.15 176.36 1afo h GLY 86 N 0.29 0.44 0.76 8.18 0.00 -0.88 -0.13 103.07 111.73 1afo h GLY 86 Ca 0.16 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 86 CO -0.15 0.05 0.18 -0.84 0.00 0.00 0.00 176.54 175.78 1afo h THR 87 N 0.29 0.95 -0.41 4.70 2.02 -0.70 -1.58 112.91 118.18 1afo h THR 87 Ca 0.15 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.25 1afo h THR 87 Cb 0.11 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1afo h THR 87 CO -0.14 0.07 0.16 0.40 0.37 0.00 0.00 175.52 176.38 1afo h ILE 88 N 0.37 0.91 -0.42 3.11 2.04 -0.02 -0.44 117.51 123.06 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 0.10 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1afo h ILE 88 CO -0.14 0.06 0.19 0.17 0.00 0.00 0.00 178.15 178.43 1afo h LEU 89 N 0.34 0.25 -0.36 1.44 8.10 -0.45 0.13 115.31 124.75 1afo h LEU 89 Ca 0.18 0.03 0.04 0.00 0.11 0.00 0.00 57.88 58.24 1afo h LEU 89 Cb 0.15 -0.01 -0.04 0.00 -0.44 0.00 0.00 40.66 40.32 1afo h LEU 89 CO -0.17 0.18 0.15 -0.07 -4.11 0.00 0.00 178.44 174.42 1afo h LEU 90 N 0.38 0.20 -0.39 0.17 3.38 -0.54 -1.22 115.31 117.28 1afo h LEU 90 Ca 0.19 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1afo h LEU 90 Cb 0.13 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1afo h LEU 90 CO -0.16 0.15 0.17 0.40 0.09 0.00 0.00 178.44 179.09 1afo h ILE 91 N 0.32 0.93 -0.35 1.22 2.04 -0.29 0.23 117.51 121.61 1afo h ILE 91 Ca 0.16 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1afo h ILE 91 Cb 0.11 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1afo h ILE 91 CO -0.14 0.06 0.13 0.28 0.00 0.00 0.00 178.15 178.48 1afo h SER 92 N 0.35 0.14 -0.33 1.72 0.02 -0.41 0.16 113.55 115.21 1afo h SER 92 Ca 0.17 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1afo h SER 92 Cb 0.12 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1afo h SER 92 CO -0.15 0.12 0.13 0.22 -1.14 0.00 0.00 176.83 176.01 1afo h TYR 93 N 0.28 0.24 -0.34 3.45 5.03 -0.52 0.20 116.97 125.31 1afo h TYR 93 Ca 0.16 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.52 1afo h TYR 93 Cb 0.13 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.32 1afo h TYR 93 CO -0.14 0.11 0.14 0.78 -1.32 0.00 0.00 178.16 177.73 1afo h GLY 94 N 0.28 0.44 0.73 1.82 0.00 -0.13 -0.35 103.07 105.86 1afo h GLY 94 Ca 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1afo h GLY 94 CO -0.13 0.05 0.16 -2.22 0.00 0.00 0.00 176.54 174.40 1afo h ILE 95 N 0.29 0.93 -0.39 2.60 5.03 -0.11 -1.16 117.51 124.71 1afo h ILE 95 Ca 0.15 -0.11 0.04 0.00 -0.12 0.00 0.00 64.86 64.81 1afo h ILE 95 Cb 0.10 0.57 -0.04 0.00 -3.03 0.00 0.00 36.82 34.42 1afo h ILE 95 CO -0.13 0.06 0.16 -0.09 -0.68 0.00 0.00 178.15 177.47 1afo h ARG 96 N 0.33 0.32 -0.40 2.37 9.65 -0.30 -1.46 114.38 124.89 1afo h ARG 96 Ca 0.17 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.07 1afo h ARG 96 Cb 0.12 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 1afo h ARG 96 CO -0.15 0.21 0.17 -0.09 2.80 0.00 0.00 179.97 182.91 1afo h ARG 97 N 0.33 0.34 -0.41 0.20 2.43 -0.43 1.04 114.38 117.88 1afo h ARG 97 Ca 0.17 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1afo h ARG 97 Cb 0.13 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1afo h ARG 97 CO -0.16 0.23 0.18 1.25 -1.51 0.00 0.00 179.97 179.96 1afo h LEU 98 N 0.35 0.23 -0.79 3.80 5.85 -0.67 -1.30 115.31 122.78 1afo h LEU 98 Ca 0.18 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 1afo h LEU 98 Cb 0.12 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1afo h LEU 98 CO -0.15 0.17 -0.56 0.16 -0.34 0.00 0.00 178.44 177.72 1afo h ILE 99 N 0.36 1.28 -3.20 4.05 3.07 -0.61 -3.44 117.51 119.02 1afo h ILE 99 Ca 0.18 -1.98 -0.47 0.00 1.55 0.00 0.00 64.86 64.14 1afo h ILE 99 Cb 0.13 2.10 0.03 0.00 -0.27 0.00 0.00 36.82 38.82 1afo h ILE 99 CO -0.16 0.54 0.02 -0.75 -1.05 0.00 0.00 178.15 176.75 1afo s LYS 100 N -3.58 3.21 0.00 0.16 2.20 0.35 -5.09 119.74 116.99 1afo s LYS 100 Ca -0.01 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1afo s LYS 100 Cb 0.12 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1afo s LYS 100 CO 0.74 -0.31 0.00 1.17 -0.36 0.00 0.00 175.35 176.59