#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 -1.39 -0.48 5.55 -0.06 -1.26 -4.88 117.38 114.86 1afo n GLN 63 Ca 0.00 1.01 0.00 0.00 -2.00 0.00 0.00 57.00 56.01 1afo n GLN 63 Cb 0.00 -1.67 0.00 0.00 -4.06 0.00 0.00 30.24 24.51 1afo n GLN 63 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1afo n LEU 64 N -3.08 0.00 -0.01 1.69 7.94 -1.26 -4.81 117.00 117.46 1afo n LEU 64 Ca -0.01 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.87 1afo n LEU 64 Cb 0.30 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.13 1afo n LEU 64 CO 0.01 0.00 -0.59 0.00 -1.11 0.00 0.00 177.39 175.70 1afo n ALA 65 N 0.35 1.88 -1.22 1.96 0.00 -1.26 -5.07 120.51 117.15 1afo n ALA 65 Ca 0.00 -0.76 0.14 0.00 0.00 0.00 0.00 53.44 52.82 1afo n ALA 65 Cb 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.80 -2.83 -2.09 0.00 8.25 -1.26 -4.85 115.22 109.64 1afo n HIS 66 Ca -0.16 1.48 -0.00 0.00 -0.26 0.00 0.00 57.72 58.78 1afo n HIS 66 Cb 0.91 -2.57 -0.01 0.00 1.12 0.00 0.00 29.99 29.44 1afo n HIS 66 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1afo n HIS 67 N -3.72 0.00 -1.60 4.41 -0.00 -1.26 -5.14 115.22 107.91 1afo n HIS 67 Ca -0.03 -0.16 0.07 0.00 0.46 0.00 0.00 57.72 58.06 1afo n HIS 67 Cb 0.64 0.11 -0.02 0.00 -0.12 0.00 0.00 29.99 30.60 1afo n HIS 67 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1afo n PHE 68 N 0.09 -2.38 -2.81 1.57 3.01 -1.26 -4.93 117.46 110.74 1afo n PHE 68 Ca -0.03 0.61 -0.04 0.00 1.01 0.00 0.00 57.45 59.00 1afo n PHE 68 Cb 0.72 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.12 1afo n PHE 68 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1afo n SER 69 N -4.01 -7.88 -3.41 4.37 7.64 -1.26 -5.01 113.62 104.06 1afo n SER 69 Ca 0.00 1.02 -0.22 0.00 1.01 0.00 0.00 58.87 60.69 1afo n SER 69 Cb 0.22 -5.08 -0.10 0.00 -1.01 0.00 0.00 64.21 58.25 1afo n SER 69 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1afo s GLU 70 N -1.98 0.53 -0.72 1.43 2.12 -1.26 -5.07 118.70 113.75 1afo s GLU 70 Ca 0.10 -0.88 -0.26 0.00 0.36 0.00 0.00 54.97 54.29 1afo s GLU 70 Cb -0.03 -0.93 -0.13 0.00 0.26 0.00 0.00 34.13 33.31 1afo s GLU 70 CO 0.75 -1.16 2.41 -2.30 -0.54 0.00 0.00 175.26 174.42 1afo n PRO 71 N 4.40 0.66 0.00 4.30 -0.02 -1.26 -4.84 135.00 138.24 1afo n PRO 71 Ca 0.08 -0.60 0.00 0.00 -2.02 0.00 0.00 63.50 60.96 1afo n PRO 71 Cb 0.42 -3.53 0.00 0.00 -0.02 0.00 0.00 33.50 30.38 1afo n PRO 71 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1afo n GLU 72 N 8.76 0.00 -0.43 -0.52 2.13 -1.26 -1.17 120.64 128.15 1afo n GLU 72 Ca 0.45 0.00 0.38 0.00 0.66 0.00 0.00 57.16 58.66 1afo n GLU 72 Cb 0.45 -0.73 0.72 0.00 0.27 0.00 0.00 31.44 32.15 1afo n GLU 72 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1afo h ILE 73 N 0.00 0.28 -0.14 6.31 6.09 -1.98 0.37 117.51 128.44 1afo h ILE 73 Ca 0.00 -0.02 -0.04 0.00 -1.37 0.00 0.00 64.86 63.43 1afo h ILE 73 Cb 0.00 0.21 -0.00 0.00 0.47 0.00 0.00 36.82 37.50 1afo h ILE 73 CO 0.00 0.01 -0.06 0.74 -3.07 0.00 0.00 178.15 175.77 1afo h THR 74 N 0.06 1.31 -0.03 2.19 2.02 -1.94 0.82 112.91 117.33 1afo h THR 74 Ca 0.70 -1.07 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 1afo h THR 74 Cb 2.58 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.71 1afo h THR 74 CO -0.11 0.31 -0.24 -0.07 0.37 0.00 0.00 175.52 175.79 1afo h LEU 75 N -0.03 0.26 -0.32 2.58 3.38 0.11 -1.34 115.31 119.94 1afo h LEU 75 Ca 0.03 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.34 1afo h LEU 75 Cb 0.51 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1afo h LEU 75 CO 0.02 0.92 0.11 0.40 0.09 0.00 0.00 178.44 179.98 1afo h ILE 76 N -0.38 0.90 -0.28 1.22 2.04 -0.70 0.27 117.51 120.58 1afo h ILE 76 Ca -0.02 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1afo h ILE 76 Cb 0.93 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1afo h ILE 76 CO 0.05 0.04 0.12 0.40 0.00 0.00 0.00 178.15 178.76 1afo h ILE 77 N 0.24 0.96 -0.30 -0.67 1.08 -0.86 -0.91 117.51 117.05 1afo h ILE 77 Ca 0.15 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 64.56 1afo h ILE 77 Cb 0.12 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 1afo h ILE 77 CO -0.15 0.05 0.12 -0.26 -0.69 0.00 0.00 178.15 177.21 1afo h PHE 78 N 0.26 0.22 -0.35 1.37 -1.00 -0.38 -1.24 116.94 115.82 1afo h PHE 78 Ca 0.12 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.95 1afo h PHE 78 Cb 0.07 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 1afo h PHE 78 CO -0.11 0.11 0.15 0.78 -1.61 0.00 0.00 178.31 177.62 1afo h GLY 79 N 0.26 0.46 0.73 -1.45 0.00 -0.06 0.47 103.07 103.49 1afo h GLY 79 Ca 0.13 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.40 1afo h GLY 79 CO -0.12 0.06 0.15 -2.08 0.00 0.00 0.00 176.54 174.55 1afo h VAL 80 N 0.31 0.92 -0.37 4.60 2.07 -0.74 0.99 116.25 124.05 1afo h VAL 80 Ca 0.16 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1afo h VAL 80 Cb 0.10 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1afo h VAL 80 CO -0.14 0.06 0.15 0.24 0.02 0.00 0.00 177.57 177.90 1afo h MET 81 N 0.32 0.31 -0.42 1.57 2.07 -0.60 -1.44 114.93 116.73 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 0.21 0.19 0.00 1.07 0.00 0.00 176.91 178.23 1afo h ALA 82 N 1.22 0.52 -0.37 6.32 0.00 0.03 -0.89 119.26 126.09 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 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1afo h ALA 82 CO -0.14 -0.17 0.15 0.78 0.00 0.00 0.00 179.25 179.86 1afo h GLY 83 N 0.39 0.48 0.74 0.00 0.00 -0.16 -0.89 103.07 103.62 1afo h GLY 83 Ca 0.19 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.46 1afo h GLY 83 CO -0.15 0.05 0.15 -2.08 0.00 0.00 0.00 176.54 174.51 1afo h VAL 84 N 0.31 0.93 -0.39 4.60 2.07 -0.69 -1.19 116.25 121.90 1afo h VAL 84 Ca 0.16 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1afo h VAL 84 Cb 0.12 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1afo h VAL 84 CO -0.15 0.06 0.16 -0.29 0.02 0.00 0.00 177.57 177.37 1afo h ILE 85 N 0.33 0.92 -0.39 4.57 2.10 -0.51 -0.53 117.51 123.99 1afo h ILE 85 Ca 0.17 -0.11 0.04 0.00 1.08 0.00 0.00 64.86 66.03 1afo h ILE 85 Cb 0.11 0.56 -0.04 0.00 -1.09 0.00 0.00 36.82 36.36 1afo h ILE 85 CO -0.15 0.06 0.16 1.23 -1.08 0.00 0.00 178.15 178.37 1afo h GLY 86 N 0.33 0.52 0.72 8.18 0.00 -0.61 -0.23 103.07 111.97 1afo h GLY 86 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1afo h GLY 86 CO -0.16 0.05 0.17 -0.84 0.00 0.00 0.00 176.54 175.77 1afo h THR 87 N 0.33 0.93 -0.41 4.70 2.02 -0.56 -0.62 112.91 119.31 1afo h THR 87 Ca 0.18 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.28 1afo h THR 87 Cb 0.13 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1afo h THR 87 CO -0.16 0.07 0.17 0.40 0.37 0.00 0.00 175.52 176.36 1afo h ILE 88 N 0.36 0.92 -0.41 3.11 2.04 -0.32 -0.63 117.51 122.58 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 36.70 1afo h ILE 88 CO -0.16 0.06 0.17 0.17 0.00 0.00 0.00 178.15 178.40 1afo h LEU 89 N 0.35 0.21 -0.38 1.44 8.10 -0.28 -0.41 115.31 124.34 1afo h LEU 89 Ca 0.18 0.04 0.04 0.00 0.11 0.00 0.00 57.88 58.25 1afo h LEU 89 Cb 0.13 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.32 1afo h LEU 89 CO -0.16 0.16 0.15 0.25 -4.11 0.00 0.00 178.44 174.73 1afo h LEU 90 N 0.35 0.19 -0.37 0.17 5.85 -0.33 -0.32 115.31 120.85 1afo h LEU 90 Ca 0.18 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1afo h LEU 90 Cb 0.14 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1afo h LEU 90 CO -0.16 0.15 0.15 0.40 -0.34 0.00 0.00 178.44 178.64 1afo h ILE 91 N 0.32 0.92 -0.35 4.05 2.04 -0.38 0.15 117.51 124.27 1afo h ILE 91 Ca 0.17 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 91 Cb 0.12 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1afo h ILE 91 CO -0.15 0.06 0.13 0.28 0.00 0.00 0.00 178.15 178.47 1afo h SER 92 N 0.32 0.16 -0.33 1.72 0.02 -0.42 0.12 113.55 115.14 1afo h SER 92 Ca 0.17 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1afo h SER 92 Cb 0.12 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1afo h SER 92 CO -0.15 0.13 0.13 0.22 -1.14 0.00 0.00 176.83 176.01 1afo h TYR 93 N 0.29 0.23 -0.35 3.45 5.03 -0.22 0.74 116.97 126.14 1afo h TYR 93 Ca 0.16 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.52 1afo h TYR 93 Cb 0.12 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.31 1afo h TYR 93 CO -0.13 0.11 0.14 0.78 -1.32 0.00 0.00 178.16 177.73 1afo h GLY 94 N 0.28 0.45 0.74 1.82 0.00 0.06 0.55 103.07 106.97 1afo h GLY 94 Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1afo h GLY 94 CO -0.14 0.05 0.15 -2.22 0.00 0.00 0.00 176.54 174.38 1afo h ILE 95 N 0.30 0.93 -0.40 2.60 2.04 -0.12 -0.94 117.51 121.92 1afo h ILE 95 Ca 0.15 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1afo h ILE 95 Cb 0.11 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1afo h ILE 95 CO -0.14 0.06 0.17 0.03 0.00 0.00 0.00 178.15 178.26 1afo h ARG 96 N 0.32 0.34 -0.36 2.37 3.08 -0.07 -1.17 114.38 118.88 1afo h ARG 96 Ca 0.16 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1afo h ARG 96 Cb 0.11 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1afo h ARG 96 CO -0.14 0.22 0.15 -0.09 -1.07 0.00 0.00 179.97 179.04 1afo h ARG 97 N 0.35 0.31 -0.42 0.04 2.43 -0.25 0.19 114.38 117.03 1afo h ARG 97 Ca 0.18 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1afo h ARG 97 Cb 0.12 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1afo h ARG 97 CO -0.15 0.21 0.19 1.37 -1.51 0.00 0.00 179.97 180.08 1afo h LEU 98 N 0.32 0.26 0.00 3.80 8.10 -0.58 -3.36 115.31 123.85 1afo h LEU 98 Ca 0.16 0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.18 1afo h LEU 98 Cb 0.10 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.31 1afo h LEU 98 CO -0.14 0.19 0.00 2.30 -4.11 0.00 0.00 178.44 176.68 1afo n ILE 99 N -4.94 0.00 -3.39 0.15 -5.35 -0.50 -4.83 119.36 100.50 1afo n ILE 99 Ca 0.02 0.08 -0.38 0.00 -0.27 0.00 0.00 62.75 62.21 1afo n ILE 99 Cb 0.12 -0.17 -0.08 0.00 -1.74 0.00 0.00 39.64 37.78 1afo n ILE 99 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1afo s LYS 100 N -0.08 4.17 0.00 6.28 1.02 0.62 -5.08 119.74 126.67 1afo s LYS 100 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1afo s LYS 100 Cb 0.00 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1afo s LYS 100 CO 0.00 -0.05 0.00 1.17 -0.92 0.00 0.00 175.35 175.55