#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 3.64 0.63 6.28 0.04 -1.26 -5.04 135.00 139.30 1pyc s PRO 61 Ca 0.00 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 1pyc s PRO 61 Cb 0.00 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1pyc s PRO 61 CO 0.00 -0.54 1.04 -0.51 0.04 0.00 0.00 177.00 177.03 1pyc s LEU 62 N -4.21 3.25 0.03 -3.56 1.43 -1.26 -5.06 118.68 109.30 1pyc s LEU 62 Ca 0.62 1.51 -0.27 0.00 -1.03 0.00 0.00 54.13 54.96 1pyc s LEU 62 Cb -0.13 -4.48 0.07 0.00 0.03 0.00 0.00 46.19 41.67 1pyc s LEU 62 CO 0.33 -1.02 0.62 -0.55 0.23 0.00 0.00 176.35 175.95 1pyc s SER 63 N -3.91 -0.58 0.77 2.29 0.15 -1.26 -4.84 113.70 106.32 1pyc s SER 63 Ca 0.57 0.38 -0.08 0.00 0.70 0.00 0.00 55.95 57.52 1pyc s SER 63 Cb -0.12 0.54 0.10 0.00 -1.71 0.00 0.00 66.02 64.84 1pyc s SER 63 CO 0.52 -0.74 1.09 0.00 1.20 0.00 0.00 173.24 175.31 1pyc h THR 65 N -0.85 0.00 0.06 0.00 1.35 -1.76 -1.93 112.91 109.78 1pyc h THR 65 Ca -0.43 -0.50 -0.37 0.00 -0.55 0.00 0.00 66.41 64.56 1pyc h THR 65 Cb 1.29 1.44 -0.04 0.00 -1.73 0.00 0.00 68.15 69.11 1pyc h THR 65 CO 0.52 0.00 -2.20 -0.38 -0.25 0.00 0.00 175.52 173.21 1pyc n ILE 66 N -2.41 1.63 0.27 6.82 5.41 -1.26 -4.32 119.36 125.50 1pyc n ILE 66 Ca 0.04 -0.65 0.15 0.00 1.00 0.00 0.00 62.75 63.30 1pyc n ILE 66 Cb 0.40 -1.47 0.51 0.00 -0.71 0.00 0.00 39.64 38.36 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 0.24 0.00 2.43 -1.58 -1.69 114.38 113.79 1pyc h ARG 68 Ca 0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 1pyc h ARG 68 Cb 0.67 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.25 1pyc h ARG 68 CO 0.00 0.24 -1.49 0.87 -1.51 0.00 0.00 179.97 178.08 1pyc h LYS 69 N 0.00 0.52 0.03 0.20 1.57 -1.45 -3.30 116.57 114.13 1pyc h LYS 69 Ca -0.00 -0.88 -0.22 0.00 -1.87 0.00 0.00 60.65 57.68 1pyc h LYS 69 Cb 1.16 0.33 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 1pyc h LYS 69 CO 0.03 1.42 -0.99 0.00 -0.57 0.00 0.00 179.45 179.35 1pyc h ARG 70 N 0.14 0.15 -3.81 3.15 2.47 -1.49 -3.48 114.38 111.51 1pyc h ARG 70 Ca -0.26 -0.20 -0.08 0.00 -1.26 0.00 0.00 59.98 58.18 1pyc h ARG 70 Cb 2.16 0.07 0.06 0.00 -1.65 0.00 0.00 29.97 30.61 1pyc h ARG 70 CO 0.27 1.02 -0.26 1.17 0.56 0.00 0.00 179.97 182.72 1pyc n LYS 71 N -3.55 -0.72 -4.55 0.04 3.00 -0.68 -5.09 118.16 106.62 1pyc n LYS 71 Ca -0.04 0.33 -0.26 0.00 -0.00 0.00 0.00 58.31 58.34 1pyc n LYS 71 Cb 0.89 -2.93 -0.11 0.00 0.00 0.00 0.00 35.03 32.88 1pyc n LYS 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1pyc s VAL 72 N -3.12 2.06 -0.28 3.15 -7.23 -0.93 -5.06 120.40 109.00 1pyc s VAL 72 Ca 0.14 -2.13 -0.26 0.00 -1.81 0.00 0.00 61.98 57.92 1pyc s VAL 72 Cb -0.02 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1pyc s VAL 72 CO 0.24 -0.15 0.89 -0.54 -0.31 0.00 0.00 175.10 175.24 1pyc s LYS 73 N -3.66 4.10 0.83 4.82 -0.14 -1.26 -4.70 119.74 119.72 1pyc s LYS 73 Ca 0.33 0.91 -0.12 0.00 -1.36 0.00 0.00 55.97 55.73 1pyc s LYS 73 Cb 0.05 -3.69 0.09 0.00 -1.68 0.00 0.00 37.83 32.60 1pyc s LYS 73 CO 0.16 -0.67 1.16 0.00 -0.76 0.00 0.00 175.35 175.25 1pyc n ASP 75 N -3.42 3.63 -2.91 0.00 8.00 -1.26 -5.04 116.55 115.55 1pyc n ASP 75 Ca 0.08 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 1pyc n ASP 75 Cb 0.60 -0.03 0.06 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.58 -3.77 -3.12 -1.24 5.02 -1.26 -5.04 118.16 106.16 1pyc n LYS 76 Ca -0.03 0.68 -0.24 0.00 -2.02 0.00 0.00 58.31 56.70 1pyc n LYS 76 Cb 0.53 -5.08 -0.00 0.00 -0.02 0.00 0.00 35.03 30.46 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 -5.22 3.83 -0.13 -0.35 1.43 -1.26 -5.07 118.68 111.91 1pyc s LEU 77 Ca 0.16 0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 53.69 1pyc s LEU 77 Cb -0.02 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1pyc s LEU 77 CO 0.58 -0.47 0.12 -0.13 0.23 0.00 0.00 176.35 176.68 1pyc s ARG 78 N -4.47 3.50 -0.10 1.70 1.81 -1.26 -3.85 118.95 116.28 1pyc s ARG 78 Ca 0.44 -0.18 -0.26 0.00 -1.72 0.00 0.00 55.73 54.01 1pyc s ARG 78 Cb -0.10 -3.17 -0.22 0.00 -0.45 0.00 0.00 34.95 31.01 1pyc s ARG 78 CO 0.38 0.69 0.83 -1.00 -0.68 0.00 0.00 175.30 175.52 1pyc h PRO 79 N 5.29 -0.02 -6.20 3.54 0.13 -2.02 -3.49 132.00 129.23 1pyc h PRO 79 Ca -0.52 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.03 1pyc h PRO 79 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1pyc h PRO 79 CO 0.60 0.75 -0.68 -1.01 -0.23 0.00 0.00 178.00 177.43 1pyc s HIS 80 N -2.70 2.54 0.59 1.56 3.76 -1.25 -5.01 115.29 114.77 1pyc s HIS 80 Ca -0.16 -0.27 -0.07 0.00 -0.15 0.00 0.00 55.06 54.40 1pyc s HIS 80 Cb -0.02 -1.14 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 1pyc s HIS 80 CO 0.62 0.65 0.92 0.00 -0.85 0.00 0.00 174.74 176.08 1pyc h GLN 82 N -0.17 0.00 0.04 0.00 4.20 -1.97 -1.40 115.11 115.81 1pyc h GLN 82 Ca -0.46 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.25 1pyc h GLN 82 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1pyc h GLN 82 CO 0.62 0.01 -0.02 1.96 -0.67 0.00 0.00 178.83 180.73 1pyc h GLN 83 N 0.00 -0.05 0.00 1.46 4.20 -1.96 -2.99 115.11 115.77 1pyc h GLN 83 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pyc h GLN 83 Cb 0.02 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1pyc h GLN 83 CO 0.00 0.59 0.00 0.00 -0.67 0.00 0.00 178.83 178.75 1pyc h THR 85 N 0.00 1.41 0.02 0.00 2.02 -1.35 -1.85 112.91 113.15 1pyc h THR 85 Ca 0.00 -2.88 -0.21 0.00 0.77 0.00 0.00 66.41 64.09 1pyc h THR 85 Cb 0.49 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 1pyc h THR 85 CO 0.00 0.85 -0.96 0.50 0.37 0.00 0.00 175.52 176.28 1pyc h LYS 86 N 0.12 0.17 0.02 6.66 1.63 -1.34 -3.33 116.57 120.50 1pyc h LYS 86 Ca -0.18 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1pyc h LYS 86 Cb 2.03 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.73 1pyc h LYS 86 CO 0.23 1.00 -0.01 1.15 -3.45 0.00 0.00 179.45 178.37 1pyc h THR 87 N 0.08 0.66 0.00 1.00 2.02 -1.34 -3.49 112.91 111.85 1pyc h THR 87 Ca -0.05 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1pyc h THR 87 Cb 1.62 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1pyc h THR 87 CO 0.14 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.86 1pyc n GLY 88 N 1.61 1.79 2.35 2.16 0.00 -0.76 -5.01 105.19 107.34 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 -0.43 3.61 0.38 1.61 0.24 -0.86 -4.66 118.33 118.22 1pyc n VAL 89 Ca 0.00 -3.04 0.14 0.00 -2.04 0.00 0.00 64.34 59.40 1pyc n VAL 89 Cb 0.00 -1.16 0.51 0.00 -1.47 0.00 0.00 33.84 31.72 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 2.05 1.00 -0.51 2.33 0.00 -1.81 0.82 119.26 123.15 1pyc h ALA 90 Ca 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.47 1pyc h ALA 90 Cb 0.79 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1pyc h ALA 90 CO 1.57 0.00 0.15 1.12 0.00 0.00 0.00 179.25 182.08 1pyc h HIS 91 N 0.00 0.77 -0.44 0.00 2.07 -1.88 -2.40 115.15 113.27 1pyc h HIS 91 Ca 0.00 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 1pyc h HIS 91 Cb 0.51 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 30.26 1pyc h HIS 91 CO 0.00 0.64 0.00 1.28 -3.07 0.00 0.00 177.93 176.78 1pyc n LEU 92 N -4.30 2.96 -4.35 6.12 4.77 0.26 -4.72 117.00 117.73 1pyc n LEU 92 Ca 0.04 -1.49 -0.44 0.00 -0.03 0.00 0.00 56.01 54.09 1pyc n LEU 92 Cb 0.20 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1pyc n LEU 92 CO 0.39 0.59 0.02 0.00 -1.33 0.00 0.00 177.39 177.06 1pyc s HIS 94 N 1.59 -0.19 0.33 0.00 3.76 -1.26 -4.93 115.29 114.58 1pyc s HIS 94 Ca 0.04 0.48 -0.13 0.00 -0.15 0.00 0.00 55.06 55.30 1pyc s HIS 94 Cb -0.25 0.03 -0.08 0.00 1.11 0.00 0.00 32.58 33.39 1pyc s HIS 94 CO 0.05 -0.12 0.71 0.71 -0.85 0.00 0.00 174.74 175.24 1pyc s TYR 95 N 0.45 3.41 0.72 1.40 2.02 -1.26 -2.88 117.35 121.21 1pyc s TYR 95 Ca -0.03 1.10 -0.11 0.00 -0.37 0.00 0.00 57.07 57.66 1pyc s TYR 95 Cb -0.04 -2.46 0.02 0.00 -0.40 0.00 0.00 41.96 39.08 1pyc s TYR 95 CO -0.02 0.08 1.07 -1.64 -1.57 0.00 0.00 175.55 173.47 1pyc s MET 96 N -3.17 2.72 0.65 -0.62 -1.94 -1.17 -4.99 119.30 110.78 1pyc s MET 96 Ca 0.52 0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 55.29 1pyc s MET 96 Cb -0.10 -1.97 -0.02 0.00 2.01 0.00 0.00 34.83 34.75 1pyc s MET 96 CO 0.22 -1.24 1.04 -1.83 -0.01 0.00 0.00 175.02 173.20 1pyc s GLU 97 N -5.06 3.34 -0.48 2.03 -1.05 -1.26 -4.86 118.70 111.35 1pyc s GLU 97 Ca 0.59 0.84 -0.29 0.00 -0.15 0.00 0.00 54.97 55.96 1pyc s GLU 97 Cb -0.14 -2.04 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 1pyc s GLU 97 CO 0.55 -0.78 1.31 -0.65 0.95 0.00 0.00 175.26 176.64 1pyc s GLN 98 N -5.11 3.55 0.07 -4.83 -0.21 -1.26 -4.98 119.66 106.89 1pyc s GLN 98 Ca 0.56 0.64 -0.29 0.00 0.02 0.00 0.00 55.36 56.29 1pyc s GLN 98 Cb -0.12 -4.01 -0.05 0.00 1.00 0.00 0.00 33.01 29.83 1pyc s GLN 98 CO 0.54 -1.61 0.93 -0.08 -2.12 0.00 0.00 175.29 172.96 1pyc s THR 99 N 5.22 4.65 -2.07 -0.19 -1.32 -1.26 -5.30 115.64 115.37 1pyc s THR 99 Ca 0.53 1.99 0.31 0.00 -1.21 0.00 0.00 61.69 63.32 1pyc s THR 99 Cb -0.10 -4.29 0.86 0.00 -1.51 0.00 0.00 72.50 67.46 1pyc s THR 99 CO 0.30 0.28 2.16 0.79 -2.21 0.00 0.00 174.62 175.93