#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xut s SER 65 N 0.00 6.44 0.00 1.61 0.01 -1.26 -4.97 113.70 115.54 1xut s SER 65 Ca 0.00 1.25 0.26 0.00 1.31 0.00 0.00 55.95 58.78 1xut s SER 65 Cb 0.00 -2.38 1.53 0.00 0.21 0.00 0.00 66.02 65.38 1xut s SER 65 CO 0.00 -0.56 1.99 -0.81 0.41 0.00 0.00 173.24 174.27 1xut n PRO 66 N -1.81 1.06 -1.31 12.44 -0.04 -1.26 -4.88 135.00 139.20 1xut n PRO 66 Ca 0.04 -0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 63.12 1xut n PRO 66 Cb 0.54 -1.42 0.20 0.00 -0.04 0.00 0.00 33.50 32.79 1xut n PRO 66 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xut s TRP 67 N -1.99 1.30 0.03 0.54 0.23 -1.26 -5.07 118.94 112.72 1xut s TRP 67 Ca 0.40 0.62 -0.09 0.00 -2.03 0.00 0.00 56.10 54.99 1xut s TRP 67 Cb 0.18 -3.51 0.00 0.00 0.03 0.00 0.00 33.47 30.17 1xut s TRP 67 CO 0.31 -3.26 0.19 0.45 0.96 0.00 0.00 176.95 175.60 1xut s SER 68 N -3.99 0.03 -0.20 2.95 0.15 -1.26 -5.04 113.70 106.34 1xut s SER 68 Ca 0.69 -0.33 0.11 0.00 0.70 0.00 0.00 55.95 57.12 1xut s SER 68 Cb -0.11 0.27 0.66 0.00 -1.71 0.00 0.00 66.02 65.13 1xut s SER 68 CO 0.55 -0.52 1.52 -0.11 1.20 0.00 0.00 173.24 175.88 1xut n LEU 69 N 0.83 4.89 -2.25 3.45 7.94 -1.26 -4.48 117.00 126.11 1xut n LEU 69 Ca -0.20 -2.49 -0.27 0.00 -1.11 0.00 0.00 56.01 51.95 1xut n LEU 69 Cb 0.58 -0.66 0.03 0.00 0.53 0.00 0.00 43.42 43.91 1xut n LEU 69 CO 0.22 0.57 1.40 -1.20 -1.11 0.00 0.00 177.39 177.27 1xut n SER 70 N 0.46 6.94 -2.80 1.96 7.64 -1.26 -4.90 113.62 121.66 1xut n SER 70 Ca 0.23 -3.38 -0.08 0.00 1.01 0.00 0.00 58.87 56.65 1xut n SER 70 Cb 1.04 -1.07 0.03 0.00 -1.01 0.00 0.00 64.21 63.19 1xut n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xut s ARG 72 N -2.08 4.21 0.00 0.00 1.81 -1.26 -4.88 118.95 116.74 1xut s ARG 72 Ca 0.16 2.33 0.13 0.00 -1.72 0.00 0.00 55.73 56.64 1xut s ARG 72 Cb -0.05 -3.40 0.43 0.00 -0.45 0.00 0.00 34.95 31.48 1xut s ARG 72 CO 0.11 -0.67 1.33 1.63 -0.68 0.00 0.00 175.30 177.02 1xut n LYS 73 N 4.84 1.79 -0.95 3.54 4.76 -1.26 -4.94 118.16 125.94 1xut n LYS 73 Ca 0.15 -1.22 -0.34 0.00 -2.87 0.00 0.00 58.31 54.03 1xut n LYS 73 Cb 0.40 -1.30 0.09 0.00 -1.84 0.00 0.00 35.03 32.37 1xut n LYS 73 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1xut n GLU 74 N 0.47 -0.09 0.13 1.97 4.07 -1.26 -4.89 120.64 121.03 1xut n GLU 74 Ca 0.13 0.01 -0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1xut n GLU 74 Cb 0.30 -1.66 0.11 0.00 -0.06 0.00 0.00 31.44 30.13 1xut n GLU 74 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1xut h GLN 75 N -1.14 0.00 -1.85 5.31 4.15 -2.06 -3.28 115.11 116.25 1xut h GLN 75 Ca -0.44 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.50 1xut h GLN 75 Cb 1.31 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 28.82 1xut h GLN 75 CO 0.34 0.64 0.45 0.41 -1.93 0.00 0.00 178.83 178.74 1xut n GLY 76 N 0.71 4.42 3.00 2.39 0.00 -1.26 -4.85 105.19 109.61 1xut n GLY 76 Ca -0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1xut n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xut s LYS 77 N -1.95 0.16 0.43 1.61 2.20 -1.24 -4.02 119.74 116.93 1xut s LYS 77 Ca 0.53 0.42 0.07 0.00 -0.36 0.00 0.00 55.97 56.63 1xut s LYS 77 Cb 0.36 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.53 1xut s LYS 77 CO -0.17 -0.14 0.22 -0.59 -0.36 0.00 0.00 175.35 174.30 1xut s PHE 78 N 1.04 2.54 -0.07 4.03 -0.12 0.80 -4.96 117.98 121.23 1xut s PHE 78 Ca -0.08 -0.60 0.04 0.00 -0.05 0.00 0.00 56.93 56.24 1xut s PHE 78 Cb -0.09 -1.98 -0.02 0.00 -0.63 0.00 0.00 43.02 40.30 1xut s PHE 78 CO -0.06 0.10 -0.20 -0.47 -0.05 0.00 0.00 175.22 174.54 1xut s TYR 79 N -2.60 2.59 -0.41 3.49 6.14 -1.26 -0.72 117.35 124.58 1xut s TYR 79 Ca 0.41 -0.57 -0.02 0.00 0.64 0.00 0.00 57.07 57.52 1xut s TYR 79 Cb 0.02 -1.67 0.11 0.00 0.42 0.00 0.00 41.96 40.85 1xut s TYR 79 CO 0.23 -0.12 0.20 0.34 0.64 0.00 0.00 175.55 176.83 1xut s ASP 80 N -0.17 5.20 0.16 4.32 2.15 -0.69 -4.90 116.67 122.74 1xut s ASP 80 Ca -0.02 -2.07 -0.22 0.00 0.43 0.00 0.00 52.55 50.67 1xut s ASP 80 Cb -0.14 -1.81 0.06 0.00 -0.30 0.00 0.00 42.92 40.74 1xut s ASP 80 CO 0.04 -0.52 1.62 -0.74 -0.17 0.00 0.00 175.17 175.39 1xut h HIS 81 N 7.97 -0.70 -0.95 -5.34 -0.00 -1.95 0.83 115.15 115.01 1xut h HIS 81 Ca -0.12 0.05 0.27 0.00 -0.00 0.00 0.00 60.37 60.57 1xut h HIS 81 Cb 1.04 0.36 -0.04 0.00 -0.00 0.00 0.00 27.41 28.77 1xut h HIS 81 CO 0.55 -0.34 0.78 1.37 -0.00 0.00 0.00 177.93 180.29 1xut h LEU 82 N -0.22 0.00 0.00 0.26 -0.00 -1.96 0.53 115.31 113.92 1xut h LEU 82 Ca 0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.90 1xut h LEU 82 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.12 1xut h LEU 82 CO -0.47 0.00 -2.02 0.18 -0.00 0.00 0.00 178.44 176.14 1xut n LEU 83 N -3.95 0.14 -0.21 0.17 4.77 0.46 -4.97 117.00 113.42 1xut n LEU 83 Ca 0.20 0.06 -0.03 0.00 -0.03 0.00 0.00 56.01 56.21 1xut n LEU 83 Cb 1.10 0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 42.36 1xut n LEU 83 CO 0.35 0.18 -0.03 -1.14 -1.33 0.00 0.00 177.39 175.43 1xut n ARG 84 N -2.53 -0.98 -4.64 3.23 0.63 0.26 -4.98 116.66 107.65 1xut n ARG 84 Ca -0.15 0.42 -0.29 0.00 -0.92 0.00 0.00 57.85 56.91 1xut n ARG 84 Cb 0.81 -4.25 -0.09 0.00 0.45 0.00 0.00 32.46 29.38 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 -2.22 3.61 -0.53 6.15 1.11 -1.20 -4.97 116.67 118.62 1xut s ASP 85 Ca 0.00 -1.55 -0.12 0.00 0.18 0.00 0.00 52.55 51.07 1xut s ASP 85 Cb 0.00 0.19 0.13 0.00 1.07 0.00 0.00 42.92 44.31 1xut s ASP 85 CO 0.00 -0.73 0.43 0.00 1.18 0.00 0.00 175.17 176.06 1xut s ILE 87 N 1.32 4.92 0.39 0.00 1.09 0.10 -4.87 121.20 124.15 1xut s ILE 87 Ca 0.06 0.52 0.08 0.00 -1.10 0.00 0.00 60.65 60.21 1xut s ILE 87 Cb -0.26 -3.63 -0.03 0.00 -1.06 0.00 0.00 42.46 37.48 1xut s ILE 87 CO -0.00 -0.04 0.29 -0.44 -0.10 0.00 0.00 174.94 174.64 1xut s SER 88 N -2.30 4.88 -0.13 3.58 0.01 -1.26 -0.14 113.70 118.35 1xut s SER 88 Ca 0.47 -0.79 0.05 0.00 1.31 0.00 0.00 55.95 56.98 1xut s SER 88 Cb -0.11 -0.63 -0.24 0.00 0.21 0.00 0.00 66.02 65.25 1xut s SER 88 CO 0.21 -0.54 0.33 0.00 0.41 0.00 0.00 173.24 173.65 1xut h ALA 90 N 0.51 1.09 0.00 0.00 0.00 -1.96 -2.07 119.26 116.83 1xut h ALA 90 Ca -0.42 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1xut h ALA 90 Cb 2.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1xut h ALA 90 CO 0.05 0.66 0.00 0.77 0.00 0.00 0.00 179.25 180.73 1xut h SER 91 N 0.05 0.00 0.00 0.00 0.02 -1.94 -3.39 113.55 108.29 1xut h SER 91 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xut h SER 91 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1xut h SER 91 CO 0.07 0.00 0.00 2.30 -1.14 0.00 0.00 176.83 178.06 1xut n ILE 92 N -2.61 0.00 -2.14 3.27 -5.35 -1.00 -5.06 119.36 106.46 1xut n ILE 92 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1xut n ILE 92 Cb 0.25 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.65 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 1.92 2.88 2.73 0.00 0.00 -1.25 -4.83 105.19 106.64 1xut n GLY 94 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 1.65 -4.03 1.61 1.13 -1.26 -5.10 117.38 111.38 1xut n GLN 95 Ca 0.00 -3.47 -0.22 0.00 -1.94 0.00 0.00 57.00 51.37 1xut n GLN 95 Cb 0.00 -1.53 -0.04 0.00 0.11 0.00 0.00 30.24 28.78 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 -3.56 3.12 1.29 1.08 -3.43 -1.26 -5.10 115.29 107.44 1xut s HIS 96 Ca 0.29 -0.13 -0.16 0.00 -0.80 0.00 0.00 55.06 54.25 1xut s HIS 96 Cb 0.37 -1.50 0.33 0.00 -1.43 0.00 0.00 32.58 30.36 1xut s HIS 96 CO -0.01 0.45 0.97 -2.14 -2.00 0.00 0.00 174.74 172.01 1xut s PRO 97 N -3.89 -1.93 0.63 -0.38 0.02 -1.26 -4.83 135.00 123.36 1xut s PRO 97 Ca 0.35 0.61 0.41 0.00 0.02 0.00 0.00 61.00 62.39 1xut s PRO 97 Cb -0.08 -1.45 2.14 0.00 0.02 0.00 0.00 34.50 35.13 1xut s PRO 97 CO 0.26 -4.34 2.28 1.57 -0.33 0.00 0.00 177.00 176.44 1xut h LYS 98 N -3.05 0.00 -0.50 5.54 2.10 -2.01 -2.27 116.57 116.39 1xut h LYS 98 Ca -0.57 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 57.96 1xut h LYS 98 Cb 1.34 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.66 1xut h LYS 98 CO 0.43 0.01 -0.15 -0.56 -2.00 0.00 0.00 179.45 177.17 1xut h GLN 99 N 0.00 0.96 -0.49 0.07 3.07 -2.06 -2.63 115.11 114.03 1xut h GLN 99 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 58.65 58.38 1xut h GLN 99 Cb 0.12 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.63 1xut h GLN 99 CO 0.00 1.03 0.00 0.00 0.09 0.00 0.00 178.83 179.95 1xut h ALA 101 N 3.27 1.00 -0.00 0.00 0.00 -1.47 -1.70 119.26 120.36 1xut h ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xut h ALA 101 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1xut h ALA 101 CO 0.07 0.00 -0.00 2.48 0.00 0.00 0.00 179.25 181.80 1xut n TYR 102 N -2.46 0.00 -0.01 0.00 0.18 -1.26 -3.52 117.16 110.09 1xut n TYR 102 Ca -0.00 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.77 1xut n TYR 102 Cb 0.14 -0.05 -0.00 0.00 -0.38 0.00 0.00 39.34 39.05 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 -1.00 0.00 -3.65 -3.48 -0.00 -0.64 -4.58 117.46 104.11 1xut n PHE 103 Ca 0.22 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.39 1xut n PHE 103 Cb 0.14 -0.07 -0.11 0.00 -0.00 0.00 0.00 39.48 39.44 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 2.58 0.18 -0.33 0.00 1.02 0.27 -3.93 120.64 120.43 1xut n GLU 105 Ca 0.23 -0.39 0.16 0.00 -0.02 0.00 0.00 57.16 57.14 1xut n GLU 105 Cb 0.41 0.51 0.33 0.00 -0.02 0.00 0.00 31.44 32.66 1xut n GLU 105 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1xut h ASN 106 N 0.45 -0.25 0.94 1.62 2.35 -1.99 -0.73 115.58 117.96 1xut h ASN 106 Ca -0.07 0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1xut h ASN 106 Cb 0.27 0.40 0.01 0.00 0.05 0.00 0.00 38.32 39.05 1xut h ASN 106 CO 0.09 -0.31 -0.47 0.11 -1.65 0.00 0.00 177.43 175.19 1xut h LYS 107 N 0.06 -1.23 -5.21 0.81 1.79 -1.96 -3.43 116.57 107.39 1xut h LYS 107 Ca 0.62 0.08 -0.53 0.00 -2.18 0.00 0.00 60.65 58.64 1xut h LYS 107 Cb 1.33 0.28 -0.31 0.00 -1.58 0.00 0.00 32.23 31.95 1xut h LYS 107 CO -0.83 -0.82 -0.83 -1.17 -1.08 0.00 0.00 179.45 174.72 1xut s LEU 108 N -9.71 1.91 0.00 2.94 1.98 -0.28 -5.05 118.68 110.46 1xut s LEU 108 Ca -0.19 -0.31 0.26 0.00 -2.89 0.00 0.00 54.13 50.99 1xut s LEU 108 Cb 0.02 -0.87 1.53 0.00 0.66 0.00 0.00 46.19 47.52 1xut s LEU 108 CO 0.57 0.14 1.88 0.54 -1.89 0.00 0.00 176.35 177.60