#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyc s PRO 61 N 0.00 4.41 0.20 6.28 0.04 -1.26 -4.96 135.00 139.71 1pyc s PRO 61 Ca 0.00 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1pyc s PRO 61 Cb 0.00 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 1pyc s PRO 61 CO 0.00 -0.26 1.33 -0.51 0.04 0.00 0.00 177.00 177.60 1pyc s LEU 62 N 0.56 4.41 0.29 -3.56 2.01 -1.26 -5.01 118.68 116.13 1pyc s LEU 62 Ca 0.58 2.43 0.04 0.00 0.01 0.00 0.00 54.13 57.20 1pyc s LEU 62 Cb -0.33 -3.61 -0.06 0.00 0.01 0.00 0.00 46.19 42.20 1pyc s LEU 62 CO 0.33 -0.56 0.02 -0.44 1.01 0.00 0.00 176.35 176.70 1pyc s SER 63 N 0.40 2.34 0.72 2.29 0.01 -1.26 -4.75 113.70 113.46 1pyc s SER 63 Ca 0.58 -1.30 -0.04 0.00 1.31 0.00 0.00 55.95 56.50 1pyc s SER 63 Cb -0.37 -0.08 0.11 0.00 0.21 0.00 0.00 66.02 65.88 1pyc s SER 63 CO 0.38 -0.53 1.01 0.00 0.41 0.00 0.00 173.24 174.51 1pyc h THR 65 N -0.59 0.00 0.05 0.00 1.35 -1.82 -1.97 112.91 109.93 1pyc h THR 65 Ca -0.40 -0.80 -0.33 0.00 -0.55 0.00 0.00 66.41 64.33 1pyc h THR 65 Cb 1.28 1.80 -0.04 0.00 -1.73 0.00 0.00 68.15 69.45 1pyc h THR 65 CO 0.45 0.00 -1.89 -0.38 -0.25 0.00 0.00 175.52 173.46 1pyc n ILE 66 N -3.06 1.66 0.24 6.82 5.41 -1.26 -3.93 119.36 125.23 1pyc n ILE 66 Ca 0.03 -0.74 0.13 0.00 1.00 0.00 0.00 62.75 63.17 1pyc n ILE 66 Cb 0.44 -1.29 0.43 0.00 -0.71 0.00 0.00 39.64 38.51 1pyc n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pyc h ARG 68 N 0.00 0.00 -0.00 0.00 2.43 -1.53 -1.60 114.38 113.67 1pyc h ARG 68 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1pyc h ARG 68 Cb 0.79 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1pyc h ARG 68 CO 0.01 0.45 -0.36 0.87 -1.51 0.00 0.00 179.97 179.43 1pyc h LYS 69 N 0.00 0.25 0.05 0.20 1.57 -1.48 -3.32 116.57 113.83 1pyc h LYS 69 Ca -0.00 -0.26 -0.23 0.00 -1.87 0.00 0.00 60.65 58.28 1pyc h LYS 69 Cb 1.25 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 1pyc h LYS 69 CO 0.06 0.98 -1.04 0.00 -0.57 0.00 0.00 179.45 178.87 1pyc h ARG 70 N -0.37 0.15 -4.44 3.15 2.47 -1.54 -3.49 114.38 110.30 1pyc h ARG 70 Ca -0.04 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1pyc h ARG 70 Cb 1.10 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1pyc h ARG 70 CO 0.07 1.06 -0.20 1.17 0.56 0.00 0.00 179.97 182.63 1pyc n LYS 71 N -3.50 -1.26 -4.40 0.04 4.81 -0.63 -5.10 118.16 108.12 1pyc n LYS 71 Ca -0.04 1.38 -0.20 0.00 -0.87 0.00 0.00 58.31 58.58 1pyc n LYS 71 Cb 0.93 -4.13 -0.10 0.00 0.02 0.00 0.00 35.03 31.74 1pyc n LYS 71 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1pyc s VAL 72 N -2.35 1.44 -0.19 3.15 -7.23 -1.04 -5.06 120.40 109.11 1pyc s VAL 72 Ca 0.10 -2.09 -0.26 0.00 -1.81 0.00 0.00 61.98 57.93 1pyc s VAL 72 Cb -0.03 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1pyc s VAL 72 CO 0.48 -0.31 0.86 -0.54 -0.31 0.00 0.00 175.10 175.28 1pyc s LYS 73 N -3.77 4.27 0.76 4.82 -0.14 -1.26 -4.74 119.74 119.68 1pyc s LYS 73 Ca 0.29 1.04 -0.11 0.00 -1.36 0.00 0.00 55.97 55.83 1pyc s LYS 73 Cb 0.04 -3.60 0.05 0.00 -1.68 0.00 0.00 37.83 32.65 1pyc s LYS 73 CO 0.11 -0.40 1.13 0.00 -0.76 0.00 0.00 175.35 175.43 1pyc n ASP 75 N -3.16 4.29 -2.79 0.00 8.00 -1.26 -5.02 116.55 116.61 1pyc n ASP 75 Ca 0.07 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.45 1pyc n ASP 75 Cb 0.59 0.25 0.07 0.00 -0.02 0.00 0.00 41.12 42.01 1pyc n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pyc n LYS 76 N -2.17 -4.70 -2.67 -1.24 5.02 -1.26 -5.04 118.16 106.10 1pyc n LYS 76 Ca 0.00 0.63 -0.25 0.00 -2.02 0.00 0.00 58.31 56.67 1pyc n LYS 76 Cb 0.47 -4.96 0.02 0.00 -0.02 0.00 0.00 35.03 30.54 1pyc n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pyc s LEU 77 N -5.18 3.44 -0.13 -0.35 1.43 -1.26 -5.07 118.68 111.56 1pyc s LEU 77 Ca 0.02 0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 53.62 1pyc s LEU 77 Cb -0.00 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1pyc s LEU 77 CO 0.54 -0.87 -0.02 -0.13 0.23 0.00 0.00 176.35 176.09 1pyc s ARG 78 N -4.78 3.39 -0.05 1.70 1.81 -1.26 -3.93 118.95 115.83 1pyc s ARG 78 Ca 0.51 -0.47 -0.23 0.00 -1.72 0.00 0.00 55.73 53.82 1pyc s ARG 78 Cb -0.10 -2.87 -0.29 0.00 -0.45 0.00 0.00 34.95 31.24 1pyc s ARG 78 CO 0.42 0.43 0.92 -1.00 -0.68 0.00 0.00 175.30 175.39 1pyc h PRO 79 N 6.08 0.28 -6.65 3.54 0.13 -2.02 -3.49 132.00 129.86 1pyc h PRO 79 Ca -0.39 -0.42 -0.65 0.00 -0.87 0.00 0.00 66.00 63.66 1pyc h PRO 79 Cb 1.19 0.15 -0.20 0.00 0.13 0.00 0.00 31.00 32.26 1pyc h PRO 79 CO 0.60 1.17 -0.84 -1.01 -0.23 0.00 0.00 178.00 177.69 1pyc s HIS 80 N -2.57 2.23 0.69 1.56 3.76 -1.25 -5.02 115.29 114.68 1pyc s HIS 80 Ca -0.14 -0.38 -0.08 0.00 -0.15 0.00 0.00 55.06 54.31 1pyc s HIS 80 Cb 0.01 -1.16 0.04 0.00 1.11 0.00 0.00 32.58 32.58 1pyc s HIS 80 CO 0.81 0.40 1.02 0.00 -0.85 0.00 0.00 174.74 176.12 1pyc h GLN 82 N -0.55 0.00 0.38 0.00 4.20 -1.96 -1.30 115.11 115.88 1pyc h GLN 82 Ca -0.45 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 1pyc h GLN 82 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1pyc h GLN 82 CO 0.62 0.00 -0.18 1.96 -0.67 0.00 0.00 178.83 180.55 1pyc h GLN 83 N 0.00 -0.50 0.00 1.46 7.50 -1.93 -3.18 115.11 118.46 1pyc h GLN 83 Ca 0.00 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1pyc h GLN 83 Cb 0.42 0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.06 1pyc h GLN 83 CO 0.00 -0.33 0.00 0.00 -1.50 0.00 0.00 178.83 177.00 1pyc h THR 85 N 0.00 1.27 0.02 0.00 2.02 -1.38 -1.78 112.91 113.07 1pyc h THR 85 Ca 0.00 -2.91 -0.22 0.00 0.77 0.00 0.00 66.41 64.05 1pyc h THR 85 Cb 0.35 2.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 1pyc h THR 85 CO 0.00 0.83 -0.95 0.50 0.37 0.00 0.00 175.52 176.27 1pyc h LYS 86 N 0.06 0.27 0.02 6.66 1.63 -1.44 -3.33 116.57 120.43 1pyc h LYS 86 Ca -0.20 -0.31 -0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1pyc h LYS 86 Cb 1.98 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.71 1pyc h LYS 86 CO 0.17 1.04 -0.01 1.15 -3.45 0.00 0.00 179.45 178.34 1pyc h THR 87 N 0.14 0.71 0.00 1.00 2.02 -1.32 -3.48 112.91 111.97 1pyc h THR 87 Ca -0.07 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.63 1pyc h THR 87 Cb 1.60 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1pyc h THR 87 CO 0.15 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.89 1pyc n GLY 88 N 1.59 1.75 2.40 2.16 0.00 -0.73 -5.01 105.19 107.36 1pyc n GLY 88 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1pyc n GLY 88 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pyc n VAL 89 N -0.51 3.52 0.34 1.61 0.24 -0.86 -4.68 118.33 117.98 1pyc n VAL 89 Ca 0.00 -3.29 0.15 0.00 -2.04 0.00 0.00 64.34 59.16 1pyc n VAL 89 Cb 0.00 -1.17 0.55 0.00 -1.47 0.00 0.00 33.84 31.74 1pyc n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pyc h ALA 90 N 2.18 1.00 -0.47 2.33 0.00 -1.83 0.98 119.26 123.45 1pyc h ALA 90 Ca 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.45 1pyc h ALA 90 Cb 0.75 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1pyc h ALA 90 CO 1.49 0.00 0.14 1.12 0.00 0.00 0.00 179.25 182.00 1pyc h HIS 91 N 0.00 0.71 -0.46 0.00 2.07 -1.88 -2.45 115.15 113.13 1pyc h HIS 91 Ca 0.00 -0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 1pyc h HIS 91 Cb 0.54 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.31 1pyc h HIS 91 CO 0.00 0.59 0.00 1.28 -3.07 0.00 0.00 177.93 176.73 1pyc n LEU 92 N -4.32 3.30 -4.44 6.12 4.77 0.32 -4.75 117.00 118.00 1pyc n LEU 92 Ca 0.03 -1.66 -0.44 0.00 -0.03 0.00 0.00 56.01 53.91 1pyc n LEU 92 Cb 0.19 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1pyc n LEU 92 CO 0.39 0.61 0.33 0.00 -1.33 0.00 0.00 177.39 177.39 1pyc s HIS 94 N 2.62 -0.18 0.28 0.00 3.76 -1.26 -4.95 115.29 115.56 1pyc s HIS 94 Ca 0.15 0.49 -0.09 0.00 -0.15 0.00 0.00 55.06 55.45 1pyc s HIS 94 Cb -0.20 -0.03 -0.07 0.00 1.11 0.00 0.00 32.58 33.40 1pyc s HIS 94 CO 0.11 -0.15 0.60 0.71 -0.85 0.00 0.00 174.74 175.17 1pyc s TYR 95 N 0.84 3.43 0.65 1.40 1.51 -1.26 -3.18 117.35 120.75 1pyc s TYR 95 Ca -0.06 0.89 -0.16 0.00 -1.01 0.00 0.00 57.07 56.73 1pyc s TYR 95 Cb -0.08 -2.29 -0.00 0.00 -0.11 0.00 0.00 41.96 39.48 1pyc s TYR 95 CO -0.04 0.17 1.14 -1.64 -1.11 0.00 0.00 175.55 174.07 1pyc s MET 96 N -3.14 2.77 0.36 -0.62 -1.94 -1.16 -4.99 119.30 110.57 1pyc s MET 96 Ca 0.48 1.52 -0.24 0.00 -1.71 0.00 0.00 55.69 55.75 1pyc s MET 96 Cb -0.11 -1.93 -0.10 0.00 2.01 0.00 0.00 34.83 34.70 1pyc s MET 96 CO 0.24 -1.30 0.93 -1.21 -0.01 0.00 0.00 175.02 173.67 1pyc s GLU 97 N -3.88 4.43 0.10 2.03 8.01 -1.26 -4.91 118.70 123.22 1pyc s GLU 97 Ca 0.70 1.22 0.20 0.00 0.01 0.00 0.00 54.97 57.10 1pyc s GLU 97 Cb -0.23 -2.57 -0.10 0.00 -4.31 0.00 0.00 34.13 26.91 1pyc s GLU 97 CO 0.39 0.17 0.85 1.04 0.01 0.00 0.00 175.26 177.73 1pyc n GLN 98 N 0.12 0.62 0.11 1.61 6.02 -1.26 -3.98 117.38 120.62 1pyc n GLN 98 Ca 0.04 0.12 -0.17 0.00 -0.01 0.00 0.00 57.00 56.97 1pyc n GLN 98 Cb 0.52 -1.77 -0.14 0.00 1.02 0.00 0.00 30.24 29.87 1pyc n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pyc h THR 99 N 0.00 1.45 -0.00 5.09 1.03 -2.04 -3.55 112.91 114.89 1pyc h THR 99 Ca -0.08 -2.96 0.00 0.00 -0.01 0.00 0.00 66.41 63.36 1pyc h THR 99 Cb 1.27 2.93 0.00 0.00 -1.07 0.00 0.00 68.15 71.28 1pyc h THR 99 CO 0.02 0.87 0.00 0.79 -0.01 0.00 0.00 175.52 177.19