#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 2.12 0.00 5.55 0.00 -1.26 -5.02 117.38 118.77 1afo n GLN 63 Ca 0.00 -2.80 0.00 0.00 -0.00 0.00 0.00 57.00 54.20 1afo n GLN 63 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.54 1afo n GLN 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1afo n LEU 64 N -0.96 0.00 0.00 1.69 7.99 -1.26 -4.10 117.00 120.36 1afo n LEU 64 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 1afo n LEU 64 Cb 0.80 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.11 1afo n LEU 64 CO 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.97 1afo n ALA 65 N 4.52 0.00 -2.15 -1.18 0.00 -1.26 -5.15 120.51 115.29 1afo n ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1afo n ALA 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.62 0.00 8.25 -1.26 -5.05 115.22 116.53 1afo n HIS 66 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1afo n HIS 66 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1afo n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1afo n HIS 67 N 0.00 -1.69 0.00 4.41 -0.00 -1.26 -4.97 115.22 111.71 1afo n HIS 67 Ca 0.00 0.93 0.00 0.00 -0.00 0.00 0.00 57.72 58.65 1afo n HIS 67 Cb 0.00 -1.59 0.00 0.00 -0.00 0.00 0.00 29.99 28.40 1afo n HIS 67 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1afo n PHE 68 N -2.68 0.00 -3.66 4.41 3.72 -1.26 -5.14 117.46 112.84 1afo n PHE 68 Ca -0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1afo n PHE 68 Cb 0.26 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1afo n PHE 68 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1afo n SER 69 N -2.59 -0.11 -4.86 4.37 2.88 -1.26 -5.15 113.62 106.89 1afo n SER 69 Ca 0.00 -1.04 -0.33 0.00 -1.33 0.00 0.00 58.87 56.16 1afo n SER 69 Cb 0.45 0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 1afo n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1afo s GLU 70 N -2.00 3.87 0.12 -1.46 0.41 -1.26 -4.94 118.70 113.44 1afo s GLU 70 Ca 0.02 0.36 0.10 0.00 -0.41 0.00 0.00 54.97 55.04 1afo s GLU 70 Cb -0.00 -2.76 0.51 0.00 -1.78 0.00 0.00 34.13 30.10 1afo s GLU 70 CO 0.00 0.38 1.31 -0.35 -0.49 0.00 0.00 175.26 176.12 1afo n PRO 71 N 0.25 0.06 -0.37 0.39 -0.04 -1.26 -2.88 135.00 131.15 1afo n PRO 71 Ca -0.02 0.51 0.28 0.00 -0.04 0.00 0.00 63.50 64.24 1afo n PRO 71 Cb 0.52 -1.67 0.55 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.00 0.25 -0.18 0.54 5.08 -1.99 1.39 114.58 119.67 1afo h GLU 72 Ca 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1afo h GLU 72 Cb 0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1afo h GLU 72 CO 0.00 0.17 -0.42 0.97 -1.00 0.00 0.00 179.01 178.73 1afo h ILE 73 N 0.26 1.31 -0.23 3.13 6.09 -1.94 0.39 117.51 126.52 1afo h ILE 73 Ca 0.72 -1.58 -0.02 0.00 -1.37 0.00 0.00 64.86 62.62 1afo h ILE 73 Cb 1.95 1.63 -0.01 0.00 0.47 0.00 0.00 36.82 40.85 1afo h ILE 73 CO -0.43 0.49 0.08 0.74 -3.07 0.00 0.00 178.15 175.95 1afo h THR 74 N 0.35 1.19 0.05 2.19 2.02 0.16 0.25 112.91 119.12 1afo h THR 74 Ca 0.03 -0.58 -0.09 0.00 0.77 0.00 0.00 66.41 66.54 1afo h THR 74 Cb 0.88 1.14 0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1afo h THR 74 CO 0.07 0.19 -0.37 0.25 0.37 0.00 0.00 175.52 176.04 1afo h LEU 75 N 0.21 0.24 -0.29 2.58 6.46 -1.26 -2.07 115.31 121.18 1afo h LEU 75 Ca 0.08 -0.91 0.03 0.00 -0.12 0.00 0.00 57.88 56.96 1afo h LEU 75 Cb 0.22 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 1afo h LEU 75 CO -0.00 1.13 0.10 0.40 -0.62 0.00 0.00 178.44 179.44 1afo h ILE 76 N -0.61 0.91 -0.34 4.05 2.04 -0.24 0.32 117.51 123.64 1afo h ILE 76 Ca -0.06 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1afo h ILE 76 Cb 1.23 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1afo h ILE 76 CO 0.07 0.04 0.16 -0.29 0.00 0.00 0.00 178.15 178.13 1afo h ILE 77 N 0.22 0.97 -0.39 -0.67 2.10 -0.58 -1.40 117.51 117.75 1afo h ILE 77 Ca 0.13 -0.11 0.04 0.00 1.08 0.00 0.00 64.86 65.99 1afo h ILE 77 Cb 0.10 0.60 -0.04 0.00 -1.09 0.00 0.00 36.82 36.40 1afo h ILE 77 CO -0.14 0.06 0.17 -0.26 -1.08 0.00 0.00 178.15 176.90 1afo h PHE 78 N 0.33 0.31 -0.39 2.19 -1.00 -0.57 -0.96 116.94 116.86 1afo h PHE 78 Ca 0.15 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.99 1afo h PHE 78 Cb 0.07 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.51 1afo h PHE 78 CO -0.11 0.15 0.15 0.78 -1.61 0.00 0.00 178.31 177.67 1afo h GLY 79 N 0.36 0.50 0.74 -1.45 0.00 0.19 0.33 103.07 103.74 1afo h GLY 79 Ca 0.17 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1afo h GLY 79 CO -0.14 0.04 0.13 -2.08 0.00 0.00 0.00 176.54 174.49 1afo h VAL 80 N 0.31 0.93 -0.38 4.60 2.07 -0.70 0.78 116.25 123.86 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 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1afo h VAL 80 CO -0.17 0.05 0.17 0.24 0.02 0.00 0.00 177.57 177.89 1afo h MET 81 N 0.29 0.35 -0.48 1.57 2.07 -0.34 -2.03 114.93 116.36 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 29.72 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 1.21 0.60 -0.39 6.32 0.00 0.56 -1.02 119.26 126.53 1afo h ALA 82 Ca 0.16 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1afo h ALA 82 Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1afo h ALA 82 CO -0.13 -0.14 0.15 0.78 0.00 0.00 0.00 179.25 179.90 1afo h GLY 83 N 0.44 0.51 0.73 0.00 0.00 -0.28 0.52 103.07 104.98 1afo h GLY 83 Ca 0.21 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.49 1afo h GLY 83 CO -0.17 0.04 0.13 -2.08 0.00 0.00 0.00 176.54 174.46 1afo h VAL 84 N 0.31 0.92 -0.37 4.60 2.07 -0.70 -1.01 116.25 122.07 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 0.15 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1afo h VAL 84 CO -0.17 0.05 0.15 0.40 0.02 0.00 0.00 177.57 178.02 1afo h ILE 85 N 0.28 0.93 -0.41 4.57 1.08 -0.38 -1.79 117.51 121.80 1afo h ILE 85 Ca 0.15 -0.11 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 1afo h ILE 85 Cb 0.11 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.40 1afo h ILE 85 CO -0.15 0.06 0.17 1.23 -0.69 0.00 0.00 178.15 178.78 1afo h GLY 86 N 0.33 0.54 0.70 5.37 0.00 -0.33 -1.18 103.07 108.50 1afo h GLY 86 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1afo h GLY 86 CO -0.14 0.06 0.14 -0.84 0.00 0.00 0.00 176.54 175.76 1afo h THR 87 N 0.36 0.90 -0.35 4.70 2.02 -0.68 0.12 112.91 119.99 1afo h THR 87 Ca 0.18 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1afo h THR 87 Cb 0.13 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1afo h THR 87 CO -0.16 0.05 0.13 0.40 0.37 0.00 0.00 175.52 176.32 1afo h ILE 88 N 0.30 0.92 -0.37 3.11 2.04 -0.74 0.80 117.51 123.57 1afo h ILE 88 Ca 0.17 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 88 Cb 0.14 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1afo h ILE 88 CO -0.16 0.05 0.17 0.25 0.00 0.00 0.00 178.15 178.46 1afo h LEU 89 N 0.29 0.23 -0.42 1.44 5.85 -0.51 -1.54 115.31 120.66 1afo h LEU 89 Ca 0.15 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1afo h LEU 89 Cb 0.11 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1afo h LEU 89 CO -0.14 0.17 0.18 -0.07 -0.34 0.00 0.00 178.44 178.24 1afo h LEU 90 N 0.35 0.25 -0.40 2.25 3.38 0.04 -1.38 115.31 119.80 1afo h LEU 90 Ca 0.16 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1afo h LEU 90 Cb 0.10 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1afo h LEU 90 CO -0.13 0.18 0.16 0.40 0.09 0.00 0.00 178.44 179.14 1afo h ILE 91 N 0.38 0.91 -0.34 1.22 2.04 -0.21 0.39 117.51 121.90 1afo h ILE 91 Ca 0.18 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 91 Cb 0.12 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1afo h ILE 91 CO -0.15 0.06 0.12 0.28 0.00 0.00 0.00 178.15 178.46 1afo h SER 92 N 0.34 0.13 -0.41 1.72 0.02 -0.74 0.17 113.55 114.78 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 62.66 1afo h SER 92 CO -0.16 0.11 0.18 0.22 -1.14 0.00 0.00 176.83 176.04 1afo h TYR 93 N 0.27 0.33 -0.49 3.45 5.03 -0.31 -1.66 116.97 123.59 1afo h TYR 93 Ca 0.15 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.53 1afo h TYR 93 Cb 0.12 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.27 1afo h TYR 93 CO -0.14 0.16 0.22 0.78 -1.32 0.00 0.00 178.16 177.86 1afo h GLY 94 N 0.37 0.67 0.63 1.82 0.00 0.80 -1.21 103.07 106.15 1afo h GLY 94 Ca 0.18 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.42 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 0.43 0.88 -0.40 2.60 5.03 0.08 0.26 117.51 126.39 1afo h ILE 95 Ca 0.22 -0.12 0.04 0.00 -0.12 0.00 0.00 64.86 64.88 1afo h ILE 95 Cb 0.18 0.49 -0.04 0.00 -3.03 0.00 0.00 36.82 34.42 1afo h ILE 95 CO -0.19 0.07 0.16 0.03 -0.68 0.00 0.00 178.15 177.54 1afo h ARG 96 N 0.36 0.32 -0.40 2.37 2.47 -0.43 -1.25 114.38 117.81 1afo h ARG 96 Ca 0.21 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.95 1afo h ARG 96 Cb 0.19 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.40 1afo h ARG 96 CO -0.20 0.21 0.17 -0.09 0.56 0.00 0.00 179.97 180.63 1afo h ARG 97 N 0.33 0.35 -0.42 0.04 1.12 -0.19 0.96 114.38 116.57 1afo h ARG 97 Ca 0.18 -0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.07 1afo h ARG 97 Cb 0.14 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 29.98 1afo h ARG 97 CO -0.17 0.23 0.17 -0.07 -3.11 0.00 0.00 179.97 177.02 1afo h LEU 98 N 0.36 0.21 -0.29 3.80 3.38 -0.31 0.15 115.31 122.62 1afo h LEU 98 Ca 0.18 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1afo h LEU 98 Cb 0.12 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1afo h LEU 98 CO -0.15 0.16 0.00 2.30 0.09 0.00 0.00 178.44 180.84 1afo n ILE 99 N -4.97 0.67 -3.04 1.22 -5.35 -0.54 -4.27 119.36 103.08 1afo n ILE 99 Ca 0.03 -0.04 -0.44 0.00 -0.27 0.00 0.00 62.75 62.02 1afo n ILE 99 Cb 0.14 -0.83 -0.01 0.00 -1.74 0.00 0.00 39.64 37.20 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 -3.18 4.00 0.00 6.28 2.20 0.33 -5.07 119.74 124.29 1afo s LYS 100 Ca 0.08 -2.55 0.00 0.00 -0.36 0.00 0.00 55.97 53.14 1afo s LYS 100 Cb 0.11 -4.91 0.00 0.00 -1.51 0.00 0.00 37.83 31.53 1afo s LYS 100 CO 0.50 -1.64 0.00 0.36 -0.36 0.00 0.00 175.35 174.20