#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xut n SER 65 N 0.00 2.70 -0.03 1.61 7.64 -1.26 -4.84 113.62 119.44 1xut n SER 65 Ca 0.00 0.17 -0.04 0.00 1.01 0.00 0.00 58.87 60.01 1xut n SER 65 Cb 0.00 -1.45 0.18 0.00 -1.01 0.00 0.00 64.21 61.93 1xut n SER 65 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1xut h PRO 66 N 14.80 0.60 -4.82 1.43 0.13 -2.05 -3.43 132.00 138.66 1xut h PRO 66 Ca -0.33 -0.20 -0.47 0.00 -0.87 0.00 0.00 66.00 64.12 1xut h PRO 66 Cb 1.27 -0.05 -0.31 0.00 0.13 0.00 0.00 31.00 32.05 1xut h PRO 66 CO 1.02 0.74 -0.80 1.67 -0.23 0.00 0.00 178.00 180.40 1xut s TRP 67 N -4.65 1.19 0.00 1.56 -2.14 -1.26 -4.99 118.94 108.65 1xut s TRP 67 Ca -0.08 -0.32 0.00 0.00 2.66 0.00 0.00 56.10 58.37 1xut s TRP 67 Cb 0.14 -0.83 0.00 0.00 -3.10 0.00 0.00 33.47 29.68 1xut s TRP 67 CO 0.80 -0.12 0.00 0.43 -2.66 0.00 0.00 176.95 175.40 1xut n SER 68 N 3.24 0.00 -1.32 -2.66 7.64 -1.26 -4.97 113.62 114.29 1xut n SER 68 Ca -0.18 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.78 1xut n SER 68 Cb 0.54 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 64.06 1xut n SER 68 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xut n LEU 69 N 0.00 4.69 0.04 -3.43 4.77 -1.26 -4.45 117.00 117.37 1xut n LEU 69 Ca 0.00 -3.00 -0.09 0.00 -0.03 0.00 0.00 56.01 52.89 1xut n LEU 69 Cb 0.00 -0.61 -0.13 0.00 -2.33 0.00 0.00 43.42 40.35 1xut n LEU 69 CO 0.00 0.66 -0.09 0.77 -1.33 0.00 0.00 177.39 177.41 1xut h SER 70 N 2.70 0.07 -3.83 -1.43 4.64 -1.94 -3.48 113.55 110.29 1xut h SER 70 Ca 0.01 -0.08 -0.31 0.00 -0.47 0.00 0.00 61.79 60.93 1xut h SER 70 Cb 1.68 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.68 1xut h SER 70 CO 0.34 1.07 -0.26 0.00 -0.87 0.00 0.00 176.83 177.11 1xut s ARG 72 N -2.87 2.89 0.00 0.00 0.52 -1.26 -4.95 118.95 113.28 1xut s ARG 72 Ca 0.12 -1.06 0.15 0.00 -0.52 0.00 0.00 55.73 54.42 1xut s ARG 72 Cb 0.01 -2.73 0.45 0.00 0.52 0.00 0.00 34.95 33.20 1xut s ARG 72 CO 0.09 -0.23 1.36 1.17 0.02 0.00 0.00 175.30 177.71 1xut n LYS 73 N -1.87 1.90 -1.65 3.54 4.81 -1.26 -4.95 118.16 118.69 1xut n LYS 73 Ca 0.05 -1.39 -0.48 0.00 -0.87 0.00 0.00 58.31 55.63 1xut n LYS 73 Cb 0.59 -1.34 -0.05 0.00 0.02 0.00 0.00 35.03 34.25 1xut n LYS 73 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xut n GLU 74 N 0.62 1.90 0.19 1.64 -0.58 -1.26 -4.87 120.64 118.27 1xut n GLU 74 Ca 0.14 0.68 0.07 0.00 -0.42 0.00 0.00 57.16 57.63 1xut n GLU 74 Cb 0.34 -2.42 0.25 0.00 -0.57 0.00 0.00 31.44 29.04 1xut n GLU 74 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1xut h GLN 75 N 5.61 0.00 -0.28 3.49 4.20 -2.04 -3.20 115.11 122.89 1xut h GLN 75 Ca -0.46 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.34 1xut h GLN 75 Cb 1.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1xut h GLN 75 CO 0.86 0.33 0.42 0.78 -0.67 0.00 0.00 178.83 180.55 1xut h GLY 76 N 2.80 0.00 -1.75 3.46 0.00 -2.00 -3.42 103.07 102.16 1xut h GLY 76 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.71 1xut h GLY 76 CO 0.04 0.00 -0.58 0.54 0.00 0.00 0.00 176.54 176.55 1xut s LYS 77 N -4.45 2.02 0.35 4.80 1.02 -1.21 -3.37 119.74 118.90 1xut s LYS 77 Ca -0.04 -2.02 0.03 0.00 0.02 0.00 0.00 55.97 53.96 1xut s LYS 77 Cb 0.13 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 1xut s LYS 77 CO 0.46 -0.05 0.11 -0.59 -0.92 0.00 0.00 175.35 174.36 1xut s PHE 78 N -2.67 1.77 -0.07 3.18 -0.71 0.27 -4.89 117.98 114.85 1xut s PHE 78 Ca 0.36 -1.20 0.04 0.00 -1.04 0.00 0.00 56.93 55.10 1xut s PHE 78 Cb 0.08 -1.11 -0.02 0.00 -1.21 0.00 0.00 43.02 40.77 1xut s PHE 78 CO 0.19 -0.26 -0.20 -0.47 -1.34 0.00 0.00 175.22 173.15 1xut s TYR 79 N -3.37 2.59 -0.28 3.49 6.14 -1.26 -0.01 117.35 124.64 1xut s TYR 79 Ca 0.31 -0.57 -0.02 0.00 0.64 0.00 0.00 57.07 57.44 1xut s TYR 79 Cb 0.05 -1.67 0.04 0.00 0.42 0.00 0.00 41.96 40.81 1xut s TYR 79 CO 0.15 -0.12 -0.02 0.34 0.64 0.00 0.00 175.55 176.54 1xut s ASP 80 N -0.18 4.69 0.13 4.32 2.15 -0.98 -4.92 116.67 121.88 1xut s ASP 80 Ca -0.02 -1.13 -0.21 0.00 0.43 0.00 0.00 52.55 51.62 1xut s ASP 80 Cb -0.14 -1.69 -0.03 0.00 -0.30 0.00 0.00 42.92 40.77 1xut s ASP 80 CO 0.03 -0.21 1.69 1.12 -0.17 0.00 0.00 175.17 177.63 1xut h HIS 81 N 8.00 -0.21 -0.19 -5.34 2.07 -1.96 0.46 115.15 117.98 1xut h HIS 81 Ca -0.25 0.02 0.05 0.00 -2.85 0.00 0.00 60.37 57.34 1xut h HIS 81 Cb 1.08 0.12 -0.01 0.00 2.57 0.00 0.00 27.41 31.17 1xut h HIS 81 CO 0.60 -0.14 0.32 1.37 -3.07 0.00 0.00 177.93 177.02 1xut h LEU 82 N -0.07 0.00 0.00 6.12 -0.00 -1.97 0.56 115.31 119.95 1xut h LEU 82 Ca 0.09 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.78 1xut h LEU 82 Cb 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.84 1xut h LEU 82 CO -0.22 0.00 -2.12 0.18 -0.00 0.00 0.00 178.44 176.28 1xut n LEU 83 N -3.41 0.09 -0.80 0.17 4.77 -0.37 -4.98 117.00 112.47 1xut n LEU 83 Ca 0.02 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1xut n LEU 83 Cb 0.43 0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1xut n LEU 83 CO 0.22 0.25 -0.10 -1.14 -1.33 0.00 0.00 177.39 175.30 1xut n ARG 84 N -2.56 -1.06 -4.48 3.23 0.63 0.15 -4.97 116.66 107.59 1xut n ARG 84 Ca -0.18 0.82 -0.25 0.00 -0.92 0.00 0.00 57.85 57.32 1xut n ARG 84 Cb 0.88 -4.89 -0.08 0.00 0.45 0.00 0.00 32.46 28.82 1xut n ARG 84 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1xut s ASP 85 N -2.64 2.66 -0.42 6.15 1.01 -1.22 -4.98 116.67 117.23 1xut s ASP 85 Ca 0.00 -1.70 -0.12 0.00 0.71 0.00 0.00 52.55 51.44 1xut s ASP 85 Cb 0.00 0.54 0.06 0.00 1.01 0.00 0.00 42.92 44.54 1xut s ASP 85 CO 0.00 -0.97 0.29 0.00 0.21 0.00 0.00 175.17 174.70 1xut s ILE 87 N 1.53 5.35 0.72 0.00 1.09 0.98 -4.90 121.20 125.97 1xut s ILE 87 Ca 0.03 -0.04 -0.09 0.00 -1.10 0.00 0.00 60.65 59.45 1xut s ILE 87 Cb -0.22 -3.57 0.05 0.00 -1.06 0.00 0.00 42.46 37.66 1xut s ILE 87 CO 0.05 0.29 1.06 -0.94 -0.10 0.00 0.00 174.94 175.30 1xut s SER 88 N -1.96 4.94 -0.20 3.58 1.04 -1.26 0.94 113.70 120.77 1xut s SER 88 Ca 0.30 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1xut s SER 88 Cb -0.13 -1.38 -0.13 0.00 0.10 0.00 0.00 66.02 64.49 1xut s SER 88 CO 0.19 -1.57 -0.19 0.00 0.98 0.00 0.00 173.24 172.65 1xut h ALA 90 N -0.09 1.18 0.00 0.00 0.00 -1.95 -2.04 119.26 116.35 1xut h ALA 90 Ca -0.46 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1xut h ALA 90 Cb 1.67 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1xut h ALA 90 CO -0.10 0.53 0.00 0.43 0.00 0.00 0.00 179.25 180.11 1xut n SER 91 N -4.20 0.70 -0.19 0.00 7.64 -1.26 -2.60 113.62 113.71 1xut n SER 91 Ca 0.01 0.67 0.09 0.00 1.01 0.00 0.00 58.87 60.65 1xut n SER 91 Cb 0.32 -0.82 0.16 0.00 -1.01 0.00 0.00 64.21 62.86 1xut n SER 91 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1xut n ILE 92 N -2.26 1.96 -1.66 0.44 -5.35 -0.82 -5.03 119.36 106.63 1xut n ILE 92 Ca 0.02 -2.41 -0.42 0.00 -0.27 0.00 0.00 62.75 59.67 1xut n ILE 92 Cb 0.24 -0.24 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 1xut n ILE 92 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xut n GLY 94 N 4.94 1.21 2.52 0.00 0.00 -1.26 -4.92 105.19 107.68 1xut n GLY 94 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 1xut n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xut n GLN 95 N -0.06 1.06 -4.39 1.61 1.13 -0.61 -5.12 117.38 111.00 1xut n GLN 95 Ca 0.00 -2.74 -0.21 0.00 -1.94 0.00 0.00 57.00 52.11 1xut n GLN 95 Cb 0.00 -1.14 -0.10 0.00 0.11 0.00 0.00 30.24 29.11 1xut n GLN 95 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 1xut s HIS 96 N -1.52 1.97 1.20 1.08 -3.43 -1.10 -4.96 115.29 108.53 1xut s HIS 96 Ca 0.29 -0.46 -0.13 0.00 -0.80 0.00 0.00 55.06 53.96 1xut s HIS 96 Cb 0.37 -0.90 0.30 0.00 -1.43 0.00 0.00 32.58 30.93 1xut s HIS 96 CO -0.04 0.50 1.01 -1.25 -2.00 0.00 0.00 174.74 172.96 1xut s PRO 97 N -3.45 -1.23 0.54 -0.38 0.04 -1.26 -4.81 135.00 124.45 1xut s PRO 97 Ca 0.24 0.77 0.24 0.00 0.04 0.00 0.00 61.00 62.29 1xut s PRO 97 Cb -0.03 -1.52 1.41 0.00 0.04 0.00 0.00 34.50 34.40 1xut s PRO 97 CO 0.10 -3.91 2.04 -0.22 0.04 0.00 0.00 177.00 175.05 1xut h LYS 98 N -2.75 0.00 -0.77 4.56 3.64 -2.01 -0.98 116.57 118.26 1xut h LYS 98 Ca -0.62 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.83 1xut h LYS 98 Cb 1.34 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.11 1xut h LYS 98 CO 0.50 0.00 0.50 0.37 -2.27 0.00 0.00 179.45 178.55 1xut h GLN 99 N 0.00 0.76 -0.75 1.90 5.75 -2.02 0.38 115.11 121.13 1xut h GLN 99 Ca 0.17 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.56 1xut h GLN 99 Cb 0.73 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.07 1xut h GLN 99 CO -0.00 0.51 0.09 0.00 -2.65 0.00 0.00 178.83 176.77 1xut h ALA 101 N 3.06 0.96 0.00 0.00 0.00 -0.94 -2.94 119.26 119.40 1xut h ALA 101 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xut h ALA 101 Cb 1.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1xut h ALA 101 CO 0.44 0.19 0.00 2.48 0.00 0.00 0.00 179.25 182.36 1xut n TYR 102 N -3.21 0.00 -0.01 0.00 0.18 -1.26 -3.50 117.16 109.36 1xut n TYR 102 Ca 0.01 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.79 1xut n TYR 102 Cb 0.47 -0.50 -0.00 0.00 -0.38 0.00 0.00 39.34 38.92 1xut n TYR 102 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1xut n PHE 103 N -1.50 0.02 -3.61 -3.48 -0.00 -1.11 -4.94 117.46 102.84 1xut n PHE 103 Ca 0.04 0.01 -0.29 0.00 -0.00 0.00 0.00 57.45 57.21 1xut n PHE 103 Cb 0.21 -0.10 -0.13 0.00 -0.00 0.00 0.00 39.48 39.46 1xut n PHE 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xut n GLU 105 N 4.11 0.17 -0.31 0.00 -0.58 -1.23 -4.11 120.64 118.68 1xut n GLU 105 Ca 0.07 -0.46 0.28 0.00 -0.42 0.00 0.00 57.16 56.63 1xut n GLU 105 Cb 0.37 0.50 0.49 0.00 -0.57 0.00 0.00 31.44 32.24 1xut n GLU 105 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xut n ASN 106 N -1.55 0.22 -4.68 1.62 3.02 -1.26 -4.00 115.26 108.62 1xut n ASN 106 Ca -0.01 1.18 -0.39 0.00 -0.03 0.00 0.00 54.58 55.34 1xut n ASN 106 Cb 0.11 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 38.63 1xut n ASN 106 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1xut s LYS 107 N -5.03 4.24 -0.02 3.52 -2.85 -1.26 -5.01 119.74 113.33 1xut s LYS 107 Ca -0.06 0.40 -0.23 0.00 -1.00 0.00 0.00 55.97 55.08 1xut s LYS 107 Cb 0.25 -3.52 0.08 0.00 -2.06 0.00 0.00 37.83 32.58 1xut s LYS 107 CO 0.62 -0.03 1.04 1.47 0.10 0.00 0.00 175.35 178.55 1xut n LEU 108 N 4.36 0.00 0.00 2.77 -0.00 -1.26 -4.80 117.00 118.08 1xut n LEU 108 Ca -0.06 -0.30 0.00 0.00 -0.00 0.00 0.00 56.01 55.65 1xut n LEU 108 Cb 0.51 1.47 0.00 0.00 -0.00 0.00 0.00 43.42 45.40 1xut n LEU 108 CO 0.42 -0.10 0.24 0.54 -0.00 0.00 0.00 177.39 178.49