#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 4.59 0.63 0.38 0.02 -1.26 -5.03 135.00 134.33 1pyc s PRO 61 Ca 0.00 1.83 -0.08 0.00 0.02 0.00 0.00 61.00 62.77 1pyc s PRO 61 Cb 0.00 -3.21 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1pyc s PRO 61 CO 0.00 0.10 0.97 -0.51 -0.33 0.00 0.00 177.00 177.24 1pyc s LEU 62 N -1.02 3.10 0.19 -5.54 1.43 -1.26 -5.07 118.68 110.50 1pyc s LEU 62 Ca 0.47 0.84 0.09 0.00 -1.03 0.00 0.00 54.13 54.50 1pyc s LEU 62 Cb -0.32 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 1pyc s LEU 62 CO 0.40 -1.19 -0.18 -0.55 0.23 0.00 0.00 176.35 175.06 1pyc s SER 63 N -4.33 2.83 0.87 2.29 0.15 -1.25 -4.86 113.70 109.39 1pyc s SER 63 Ca 0.56 -0.92 -0.12 0.00 0.70 0.00 0.00 55.95 56.17 1pyc s SER 63 Cb -0.11 -0.18 0.11 0.00 -1.71 0.00 0.00 66.02 64.14 1pyc s SER 63 CO 0.47 -0.04 1.14 0.00 1.20 0.00 0.00 173.24 176.01 1pyc h THR 65 N -1.32 1.47 0.14 0.00 1.03 -1.90 -1.55 112.91 110.77 1pyc h THR 65 Ca -0.49 -2.29 -0.28 0.00 -0.01 0.00 0.00 66.41 63.34 1pyc h THR 65 Cb 1.32 2.23 0.01 0.00 -1.07 0.00 0.00 68.15 70.64 1pyc h THR 65 CO 0.63 0.66 -1.30 0.40 -0.01 0.00 0.00 175.52 175.90 1pyc h ILE 66 N 0.05 1.44 0.00 0.00 1.08 -1.90 -2.86 117.51 115.33 1pyc h ILE 66 Ca -0.01 -3.00 -0.02 0.00 -0.39 0.00 0.00 64.86 61.43 1pyc h ILE 66 Cb 1.22 2.93 -0.00 0.00 -3.07 0.00 0.00 36.82 37.90 1pyc h ILE 66 CO 0.10 0.88 -0.10 0.00 -0.69 0.00 0.00 178.15 178.33 1pyc h ARG 68 N 0.00 0.00 -0.02 0.00 2.43 -1.36 -1.72 114.38 113.72 1pyc h ARG 68 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1pyc h ARG 68 Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1pyc h ARG 68 CO 0.01 0.43 -0.10 -0.22 -1.51 0.00 0.00 179.97 178.58 1pyc h LYS 69 N 0.00 0.11 0.04 0.20 3.64 -1.15 -3.29 116.57 116.12 1pyc h LYS 69 Ca -0.01 -0.09 -0.23 0.00 -1.27 0.00 0.00 60.65 59.06 1pyc h LYS 69 Cb 1.35 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1pyc h LYS 69 CO 0.06 0.75 -1.05 0.00 -2.27 0.00 0.00 179.45 176.94 1pyc h ARG 70 N -0.51 0.11 -3.76 1.90 2.47 -1.55 -3.49 114.38 109.55 1pyc h ARG 70 Ca -0.01 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1pyc h ARG 70 Cb 0.77 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1pyc h ARG 70 CO 0.02 1.05 -0.14 1.17 0.56 0.00 0.00 179.97 182.64 1pyc n LYS 71 N -3.46 -0.74 -4.18 0.04 4.81 -0.70 -5.10 118.16 108.83 1pyc n LYS 71 Ca -0.03 1.01 -0.11 0.00 -0.87 0.00 0.00 58.31 58.31 1pyc n LYS 71 Cb 0.94 -2.90 -0.10 0.00 0.02 0.00 0.00 35.03 33.00 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 -1.78 0.13 -0.15 3.15 -7.23 -0.85 -5.05 120.40 108.63 1pyc s VAL 72 Ca 0.07 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 1pyc s VAL 72 Cb -0.02 -2.24 -0.00 0.00 0.56 0.00 0.00 36.38 34.68 1pyc s VAL 72 CO 0.25 -0.28 1.01 -0.54 -0.31 0.00 0.00 175.10 175.23 1pyc s LYS 73 N -4.08 4.36 0.76 4.82 3.01 -1.26 -4.71 119.74 122.64 1pyc s LYS 73 Ca 0.30 1.36 -0.11 0.00 -1.01 0.00 0.00 55.97 56.50 1pyc s LYS 73 Cb 0.07 -3.58 0.05 0.00 -1.01 0.00 0.00 37.83 33.37 1pyc s LYS 73 CO 0.06 -0.42 1.10 0.00 0.51 0.00 0.00 175.35 176.60 1pyc n ASP 75 N -3.33 0.65 -3.21 0.00 8.00 -1.26 -5.06 116.55 112.35 1pyc n ASP 75 Ca 0.10 0.08 -0.07 0.00 0.71 0.00 0.00 54.79 55.61 1pyc n ASP 75 Cb 0.53 -0.20 0.02 0.00 -0.02 0.00 0.00 41.12 41.44 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 -3.30 -1.52 0.10 -1.24 5.02 -1.26 -4.96 118.16 110.99 1pyc n LYS 76 Ca -0.01 1.24 -0.23 0.00 -2.02 0.00 0.00 58.31 57.28 1pyc n LYS 76 Cb 0.24 -5.36 -0.15 0.00 -0.02 0.00 0.00 35.03 29.73 1pyc n LYS 76 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1pyc h LEU 77 N -0.08 0.67 -0.05 -0.35 3.38 -1.94 -3.50 115.31 113.44 1pyc h LEU 77 Ca -0.23 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.82 1pyc h LEU 77 Cb 1.12 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1pyc h LEU 77 CO 0.35 1.68 0.00 -1.14 0.09 0.00 0.00 178.44 179.41 1pyc n ARG 78 N -3.77 0.00 0.04 1.13 3.00 -1.26 -4.94 116.66 110.85 1pyc n ARG 78 Ca -0.20 0.03 -0.17 0.00 -0.00 0.00 0.00 57.85 57.51 1pyc n ARG 78 Cb 1.03 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 33.42 1pyc n ARG 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1pyc h PRO 79 N 0.00 0.62 -6.12 -0.14 0.11 -1.98 -3.47 132.00 121.01 1pyc h PRO 79 Ca 0.00 -0.62 -0.65 0.00 0.11 0.00 0.00 66.00 64.85 1pyc h PRO 79 Cb 0.00 0.16 -0.10 0.00 0.11 0.00 0.00 31.00 31.18 1pyc h PRO 79 CO 0.00 1.22 -0.60 -3.38 -0.21 0.00 0.00 178.00 175.04 1pyc s HIS 80 N -3.41 3.21 1.03 0.65 -3.43 -1.26 -4.90 115.29 107.18 1pyc s HIS 80 Ca -0.08 0.12 -0.17 0.00 -0.80 0.00 0.00 55.06 54.12 1pyc s HIS 80 Cb 0.08 -1.67 0.25 0.00 -1.43 0.00 0.00 32.58 29.81 1pyc s HIS 80 CO 0.90 0.53 1.12 0.00 -2.00 0.00 0.00 174.74 175.28 1pyc h GLN 82 N 0.00 0.00 0.09 0.00 4.15 -1.97 -2.07 115.11 115.31 1pyc h GLN 82 Ca -0.39 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 1pyc h GLN 82 Cb 1.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1pyc h GLN 82 CO 0.26 0.00 -0.04 0.37 -1.93 0.00 0.00 178.83 177.49 1pyc h GLN 83 N 0.00 -0.11 0.00 1.69 5.75 -1.93 -3.30 115.11 117.20 1pyc h GLN 83 Ca 0.00 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1pyc h GLN 83 Cb 0.77 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 1pyc h GLN 83 CO 0.00 0.28 -0.20 0.00 -2.65 0.00 0.00 178.83 176.27 1pyc h THR 85 N 0.00 1.36 -0.25 0.00 2.02 -1.54 -1.80 112.91 112.69 1pyc h THR 85 Ca -0.00 -2.20 -0.14 0.00 0.77 0.00 0.00 66.41 64.85 1pyc h THR 85 Cb 0.57 2.18 -0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1pyc h THR 85 CO 0.03 0.67 -0.38 0.50 0.37 0.00 0.00 175.52 176.71 1pyc h LYS 86 N 0.33 0.70 0.01 6.66 3.64 -1.55 -3.27 116.57 123.07 1pyc h LYS 86 Ca -0.05 -0.41 -0.26 0.00 -1.27 0.00 0.00 60.65 58.65 1pyc h LYS 86 Cb 1.42 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.24 1pyc h LYS 86 CO 0.15 1.03 -1.43 0.00 -2.27 0.00 0.00 179.45 176.93 1pyc h THR 87 N 0.42 1.19 -1.74 1.00 1.03 -1.52 -3.49 112.91 109.81 1pyc h THR 87 Ca 0.02 -2.98 0.00 0.00 -0.01 0.00 0.00 66.41 63.44 1pyc h THR 87 Cb 0.97 2.60 0.00 0.00 -1.07 0.00 0.00 68.15 70.64 1pyc h THR 87 CO 0.09 0.69 0.00 0.61 -0.01 0.00 0.00 175.52 176.90 1pyc n GLY 88 N 1.49 0.53 1.57 2.99 0.00 -0.80 -4.98 105.19 105.98 1pyc n GLY 88 Ca -0.11 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 1pyc n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pyc n VAL 89 N -0.72 0.14 0.09 1.61 3.14 -0.74 -4.86 118.33 116.99 1pyc n VAL 89 Ca 0.00 -0.90 -0.06 0.00 -2.96 0.00 0.00 64.34 60.42 1pyc n VAL 89 Cb 0.29 0.88 0.08 0.00 -1.06 0.00 0.00 33.84 34.03 1pyc n VAL 89 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pyc h ALA 90 N 0.86 0.75 -0.01 1.55 0.00 -1.80 0.73 119.26 121.35 1pyc h ALA 90 Ca -0.34 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 53.92 1pyc h ALA 90 Cb 1.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1pyc h ALA 90 CO -0.04 0.79 -0.21 1.12 0.00 0.00 0.00 179.25 180.91 1pyc h HIS 91 N 0.15 0.02 -0.01 0.00 2.07 -1.89 -2.49 115.15 113.00 1pyc h HIS 91 Ca -0.02 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 1pyc h HIS 91 Cb 1.23 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1pyc h HIS 91 CO 0.02 0.22 -0.12 1.28 -3.07 0.00 0.00 177.93 176.26 1pyc n LEU 92 N -4.29 1.29 -4.63 6.12 4.77 -0.17 -4.87 117.00 115.23 1pyc n LEU 92 Ca -0.02 -0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.13 1pyc n LEU 92 Cb 0.27 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1pyc n LEU 92 CO 0.37 0.23 1.03 0.00 -1.33 0.00 0.00 177.39 177.68 1pyc s HIS 94 N 4.02 -0.08 -0.13 0.00 3.76 -1.26 -4.93 115.29 116.68 1pyc s HIS 94 Ca 0.50 0.20 -0.19 0.00 -0.15 0.00 0.00 55.06 55.42 1pyc s HIS 94 Cb -0.13 0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.55 1pyc s HIS 94 CO 0.20 -0.04 0.50 0.71 -0.85 0.00 0.00 174.74 175.26 1pyc s TYR 95 N 0.02 3.50 0.26 1.40 2.02 -1.26 -3.22 117.35 120.06 1pyc s TYR 95 Ca -0.00 0.90 0.10 0.00 -0.37 0.00 0.00 57.07 57.70 1pyc s TYR 95 Cb -0.01 -2.59 -0.05 0.00 -0.40 0.00 0.00 41.96 38.91 1pyc s TYR 95 CO 0.00 0.12 -0.16 -1.64 -1.57 0.00 0.00 175.55 172.30 1pyc s MET 96 N 0.79 1.56 0.33 -0.62 -1.94 -0.96 -4.98 119.30 113.48 1pyc s MET 96 Ca 0.27 -1.73 -0.28 0.00 -1.71 0.00 0.00 55.69 52.25 1pyc s MET 96 Cb -0.15 -1.50 -0.09 0.00 2.01 0.00 0.00 34.83 35.10 1pyc s MET 96 CO 0.11 0.24 1.10 -1.83 -0.01 0.00 0.00 175.02 174.63 1pyc s GLU 97 N -3.58 4.44 -1.16 2.03 -1.05 -1.26 -3.95 118.70 114.17 1pyc s GLU 97 Ca 0.28 1.74 -0.10 0.00 -0.15 0.00 0.00 54.97 56.74 1pyc s GLU 97 Cb -0.02 -2.96 0.24 0.00 -0.44 0.00 0.00 34.13 30.94 1pyc s GLU 97 CO 0.12 0.05 1.33 1.04 0.95 0.00 0.00 175.26 178.75 1pyc n GLN 98 N 0.73 3.59 0.00 -4.83 6.02 -1.26 -4.13 117.38 117.50 1pyc n GLN 98 Ca 0.01 -4.18 0.00 0.00 -0.01 0.00 0.00 57.00 52.82 1pyc n GLN 98 Cb 0.46 -2.75 0.00 0.00 1.02 0.00 0.00 30.24 28.97 1pyc n GLN 98 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1pyc n THR 99 N 3.25 0.00 1.43 5.09 -1.04 -1.26 -5.17 114.28 116.58 1pyc n THR 99 Ca 0.30 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.42 1pyc n THR 99 Cb 0.39 -0.09 0.68 0.00 -1.82 0.00 0.00 70.33 69.50 1pyc n THR 99 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22