#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 2.22 0.83 6.28 0.04 -1.26 -5.07 135.00 138.04 1pyc s PRO 61 Ca 0.00 0.07 -0.12 0.00 0.04 0.00 0.00 61.00 60.99 1pyc s PRO 61 Cb 0.00 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.62 1pyc s PRO 61 CO 0.00 -1.37 1.19 -0.51 0.04 0.00 0.00 177.00 176.35 1pyc s LEU 62 N -5.43 2.62 -0.14 -3.56 1.43 -1.26 -5.10 118.68 107.24 1pyc s LEU 62 Ca 0.60 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.96 1pyc s LEU 62 Cb -0.11 -2.94 0.12 0.00 0.03 0.00 0.00 46.19 43.29 1pyc s LEU 62 CO 0.48 -2.08 0.98 -0.55 0.23 0.00 0.00 176.35 175.41 1pyc s SER 63 N -4.66 -0.38 0.66 2.29 0.15 -1.26 -4.91 113.70 105.60 1pyc s SER 63 Ca 0.65 0.37 -0.06 0.00 0.70 0.00 0.00 55.95 57.61 1pyc s SER 63 Cb -0.09 0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1pyc s SER 63 CO 0.49 -0.38 0.97 0.00 1.20 0.00 0.00 173.24 175.53 1pyc h THR 65 N -0.45 0.29 0.02 0.00 1.35 -1.74 -2.04 112.91 110.34 1pyc h THR 65 Ca -0.45 -1.14 -0.35 0.00 -0.55 0.00 0.00 66.41 63.93 1pyc h THR 65 Cb 1.30 1.91 -0.06 0.00 -1.73 0.00 0.00 68.15 69.57 1pyc h THR 65 CO 0.60 0.14 -2.16 -0.38 -0.25 0.00 0.00 175.52 173.47 1pyc n ILE 66 N -3.19 1.52 0.20 6.82 -0.00 -1.26 -4.08 119.36 119.37 1pyc n ILE 66 Ca 0.02 -0.77 0.05 0.00 -0.00 0.00 0.00 62.75 62.05 1pyc n ILE 66 Cb 0.49 -0.95 0.44 0.00 -0.00 0.00 0.00 39.64 39.62 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 0.12 0.00 2.43 -1.56 -1.52 114.38 113.85 1pyc h ARG 68 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 1pyc h ARG 68 Cb 0.61 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1pyc h ARG 68 CO 0.04 0.56 -1.23 0.87 -1.51 0.00 0.00 179.97 178.70 1pyc h LYS 69 N 0.00 0.62 0.01 0.20 1.79 -1.51 -3.23 116.57 114.45 1pyc h LYS 69 Ca -0.01 -0.83 -0.20 0.00 -2.18 0.00 0.00 60.65 57.44 1pyc h LYS 69 Cb 1.28 0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 32.18 1pyc h LYS 69 CO 0.07 1.38 -0.90 0.00 -1.08 0.00 0.00 179.45 178.91 1pyc h ARG 70 N 0.25 0.16 -3.74 3.15 2.47 -1.51 -3.48 114.38 111.68 1pyc h ARG 70 Ca -0.19 -0.18 -0.04 0.00 -1.26 0.00 0.00 59.98 58.30 1pyc h ARG 70 Cb 1.90 0.06 0.04 0.00 -1.65 0.00 0.00 29.97 30.31 1pyc h ARG 70 CO 0.23 0.95 -0.15 1.17 0.56 0.00 0.00 179.97 182.74 1pyc n LYS 71 N -3.61 -0.57 -4.48 0.04 3.00 -0.65 -5.09 118.16 106.80 1pyc n LYS 71 Ca -0.03 0.49 -0.26 0.00 -0.00 0.00 0.00 58.31 58.51 1pyc n LYS 71 Cb 0.83 -2.82 -0.10 0.00 0.00 0.00 0.00 35.03 32.94 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 -3.07 2.27 -0.27 3.15 -7.23 -0.71 -5.04 120.40 109.50 1pyc s VAL 72 Ca 0.08 -2.04 -0.27 0.00 -1.81 0.00 0.00 61.98 57.94 1pyc s VAL 72 Cb -0.01 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 34.12 1pyc s VAL 72 CO 0.23 -0.13 0.95 -0.54 -0.31 0.00 0.00 175.10 175.31 1pyc s LYS 73 N -3.69 4.14 0.78 4.82 3.01 -1.26 -4.64 119.74 122.89 1pyc s LYS 73 Ca 0.35 1.05 -0.12 0.00 -1.01 0.00 0.00 55.97 56.24 1pyc s LYS 73 Cb 0.04 -3.68 0.06 0.00 -1.01 0.00 0.00 37.83 33.24 1pyc s LYS 73 CO 0.18 -0.68 1.12 0.00 0.51 0.00 0.00 175.35 176.48 1pyc n ASP 75 N -3.34 2.44 -2.34 0.00 8.00 -1.26 -5.04 116.55 115.01 1pyc n ASP 75 Ca 0.11 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.48 1pyc n ASP 75 Cb 0.52 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.67 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 -2.18 -4.29 -3.14 -1.24 4.01 -1.26 -5.01 118.16 105.05 1pyc n LYS 76 Ca 0.00 0.48 -0.39 0.00 -0.51 0.00 0.00 58.31 57.89 1pyc n LYS 76 Cb 0.32 -4.45 -0.05 0.00 -0.51 0.00 0.00 35.03 30.34 1pyc n LYS 76 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1pyc s LEU 77 N -4.60 4.37 0.04 -0.35 1.43 -1.26 -5.04 118.68 113.28 1pyc s LEU 77 Ca 0.20 1.17 -0.24 0.00 -1.03 0.00 0.00 54.13 54.23 1pyc s LEU 77 Cb -0.09 -2.99 -0.06 0.00 0.03 0.00 0.00 46.19 43.09 1pyc s LEU 77 CO 0.42 0.01 0.72 -0.13 0.23 0.00 0.00 176.35 177.60 1pyc s ARG 78 N 0.24 4.45 -0.12 1.70 3.00 -1.26 -3.07 118.95 123.88 1pyc s ARG 78 Ca 0.34 0.98 -0.12 0.00 0.00 0.00 0.00 55.73 56.93 1pyc s ARG 78 Cb -0.18 -3.35 -0.10 0.00 0.00 0.00 0.00 34.95 31.33 1pyc s ARG 78 CO 0.17 0.34 0.23 -1.00 0.00 0.00 0.00 175.30 175.05 1pyc h PRO 79 N 5.52 0.00 -6.39 3.54 0.13 -2.02 -3.49 132.00 129.29 1pyc h PRO 79 Ca -0.45 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.07 1pyc h PRO 79 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1pyc h PRO 79 CO 0.70 0.38 -0.71 -3.38 -0.23 0.00 0.00 178.00 174.76 1pyc s HIS 80 N -1.89 2.62 1.12 1.56 -3.43 -1.18 -5.02 115.29 109.07 1pyc s HIS 80 Ca -0.10 -0.23 -0.17 0.00 -0.80 0.00 0.00 55.06 53.77 1pyc s HIS 80 Cb -0.00 -1.25 0.25 0.00 -1.43 0.00 0.00 32.58 30.14 1pyc s HIS 80 CO 0.28 0.54 1.12 0.00 -2.00 0.00 0.00 174.74 174.68 1pyc h GLN 82 N -2.28 0.00 0.49 0.00 4.20 -1.95 -1.68 115.11 113.89 1pyc h GLN 82 Ca -0.48 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 1pyc h GLN 82 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1pyc h GLN 82 CO 0.43 0.30 -0.23 1.96 -0.67 0.00 0.00 178.83 180.61 1pyc h GLN 83 N 0.00 -0.63 0.00 1.46 1.08 -1.93 -3.21 115.11 111.88 1pyc h GLN 83 Ca -0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1pyc h GLN 83 Cb 0.63 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1pyc h GLN 83 CO 0.04 -0.42 0.00 0.00 -0.95 0.00 0.00 178.83 177.50 1pyc h THR 85 N 0.00 1.37 -0.09 0.00 2.02 -1.42 -1.47 112.91 113.33 1pyc h THR 85 Ca 0.00 -1.60 -0.21 0.00 0.77 0.00 0.00 66.41 65.37 1pyc h THR 85 Cb 0.20 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1pyc h THR 85 CO 0.00 0.47 -0.80 0.11 0.37 0.00 0.00 175.52 175.68 1pyc h LYS 86 N 0.04 0.56 0.02 6.66 1.57 -1.33 -3.20 116.57 120.88 1pyc h LYS 86 Ca -0.00 -0.48 -0.28 0.00 -1.87 0.00 0.00 60.65 58.02 1pyc h LYS 86 Cb 0.92 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1pyc h LYS 86 CO 0.07 1.11 -1.53 0.00 -0.57 0.00 0.00 179.45 178.53 1pyc h THR 87 N 0.37 1.08 -0.17 -0.16 1.03 -1.51 -3.48 112.91 110.06 1pyc h THR 87 Ca -0.05 -2.87 0.00 0.00 -0.01 0.00 0.00 66.41 63.48 1pyc h THR 87 Cb 1.41 2.56 0.00 0.00 -1.07 0.00 0.00 68.15 71.05 1pyc h THR 87 CO 0.15 0.66 0.00 0.61 -0.01 0.00 0.00 175.52 176.92 1pyc n GLY 88 N 1.54 1.21 2.27 2.99 0.00 -0.71 -4.99 105.19 107.50 1pyc n GLY 88 Ca -0.13 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.21 2.97 0.26 1.61 0.24 -0.64 -4.70 118.33 116.87 1pyc n VAL 89 Ca 0.00 -3.91 0.15 0.00 -2.04 0.00 0.00 64.34 58.54 1pyc n VAL 89 Cb 0.15 -1.17 0.64 0.00 -1.47 0.00 0.00 33.84 31.98 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 2.26 1.03 -0.27 2.33 0.00 -1.88 -0.52 119.26 122.21 1pyc h ALA 90 Ca 0.46 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 1pyc h ALA 90 Cb 1.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1pyc h ALA 90 CO 1.11 0.10 -0.15 1.12 0.00 0.00 0.00 179.25 181.44 1pyc h HIS 91 N 0.00 0.49 -0.41 0.00 2.07 -1.90 -2.33 115.15 113.07 1pyc h HIS 91 Ca -0.00 -0.08 0.00 0.00 -2.85 0.00 0.00 60.37 57.44 1pyc h HIS 91 Cb 0.55 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 30.40 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 -4.20 2.52 -4.50 6.12 4.77 -0.24 -4.81 117.00 116.66 1pyc n LEU 92 Ca 0.00 -1.20 -0.43 0.00 -0.03 0.00 0.00 56.01 54.36 1pyc n LEU 92 Cb 0.33 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1pyc n LEU 92 CO 0.40 0.60 0.79 0.00 -1.33 0.00 0.00 177.39 177.85 1pyc s HIS 94 N 4.16 -0.25 0.27 0.00 3.76 -1.26 -4.96 115.29 117.00 1pyc s HIS 94 Ca 0.27 0.62 -0.13 0.00 -0.15 0.00 0.00 55.06 55.68 1pyc s HIS 94 Cb -0.14 0.04 -0.08 0.00 1.11 0.00 0.00 32.58 33.51 1pyc s HIS 94 CO 0.15 -0.16 0.65 0.71 -0.85 0.00 0.00 174.74 175.24 1pyc s TYR 95 N 0.68 3.41 0.35 1.40 1.51 -1.26 -2.80 117.35 120.65 1pyc s TYR 95 Ca -0.05 1.07 -0.27 0.00 -1.01 0.00 0.00 57.07 56.81 1pyc s TYR 95 Cb -0.06 -2.41 -0.09 0.00 -0.11 0.00 0.00 41.96 39.28 1pyc s TYR 95 CO -0.04 0.19 1.21 -1.64 -1.11 0.00 0.00 175.55 174.16 1pyc s MET 96 N -2.84 4.26 0.35 -0.62 -1.94 -1.21 -4.97 119.30 112.33 1pyc s MET 96 Ca 0.50 1.98 -0.19 0.00 -1.71 0.00 0.00 55.69 56.27 1pyc s MET 96 Cb -0.11 -2.91 -0.10 0.00 2.01 0.00 0.00 34.83 33.72 1pyc s MET 96 CO 0.19 -0.18 0.82 -1.21 -0.01 0.00 0.00 175.02 174.63 1pyc s GLU 97 N -1.96 4.16 0.00 2.03 8.01 -1.26 -4.86 118.70 124.82 1pyc s GLU 97 Ca 0.52 0.90 0.19 0.00 0.01 0.00 0.00 54.97 56.59 1pyc s GLU 97 Cb -0.34 -2.44 0.28 0.00 -4.31 0.00 0.00 34.13 27.32 1pyc s GLU 97 CO 0.44 0.14 1.22 0.94 0.01 0.00 0.00 175.26 178.01 1pyc n GLN 98 N -0.24 2.04 0.08 1.61 7.27 -1.26 -4.22 117.38 122.66 1pyc n GLN 98 Ca 0.04 -1.92 -0.22 0.00 0.07 0.00 0.00 57.00 54.97 1pyc n GLN 98 Cb 0.53 -1.40 -0.13 0.00 2.41 0.00 0.00 30.24 31.65 1pyc n GLN 98 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pyc h THR 99 N 3.64 1.33 -0.00 1.69 1.03 -2.03 -3.56 112.91 115.01 1pyc h THR 99 Ca 0.00 -2.45 0.00 0.00 -0.01 0.00 0.00 66.41 63.95 1pyc h THR 99 Cb 0.83 2.79 0.00 0.00 -1.07 0.00 0.00 68.15 70.70 1pyc h THR 99 CO 0.00 0.73 0.00 -2.67 -0.01 0.00 0.00 175.52 173.57