#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 6.20 0.09 1.61 1.04 -1.26 -4.23 113.70 117.15 1xut s SER 65 Ca 0.00 -1.10 -0.28 0.00 0.48 0.00 0.00 55.95 55.05 1xut s SER 65 Cb 0.00 -2.35 -0.14 0.00 0.10 0.00 0.00 66.02 63.63 1xut s SER 65 CO 0.00 -1.18 1.66 1.55 0.98 0.00 0.00 173.24 176.25 1xut h PRO 66 N 9.28 -0.51 -4.72 4.02 0.13 -2.00 -3.39 132.00 134.80 1xut h PRO 66 Ca -0.29 0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 64.19 1xut h PRO 66 Cb 1.08 0.12 -0.29 0.00 0.13 0.00 0.00 31.00 32.04 1xut h PRO 66 CO 1.10 -0.34 -0.63 -1.58 -0.23 0.00 0.00 178.00 176.32 1xut s TRP 67 N -6.09 3.23 -0.60 1.56 0.51 -1.26 -4.97 118.94 111.31 1xut s TRP 67 Ca -0.16 -1.41 -0.01 0.00 -2.12 0.00 0.00 56.10 52.41 1xut s TRP 67 Cb 0.06 -2.24 0.49 0.00 -0.81 0.00 0.00 33.47 30.97 1xut s TRP 67 CO 0.64 -0.71 2.00 -1.13 -0.51 0.00 0.00 176.95 177.24 1xut n SER 68 N 4.79 6.69 -0.02 2.95 3.41 -1.26 -4.24 113.62 125.93 1xut n SER 68 Ca -0.13 -3.71 0.04 0.00 -0.26 0.00 0.00 58.87 54.81 1xut n SER 68 Cb 0.45 -0.95 -0.12 0.00 -0.26 0.00 0.00 64.21 63.34 1xut n SER 68 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xut n LEU 69 N -0.92 0.00 0.00 1.04 7.94 -1.26 -4.76 117.00 119.04 1xut n LEU 69 Ca 0.61 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.51 1xut n LEU 69 Cb 0.90 0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.95 1xut n LEU 69 CO 0.73 0.10 0.11 -1.20 -1.11 0.00 0.00 177.39 176.02 1xut n SER 70 N -2.17 0.00 -3.68 1.96 7.64 -1.26 -4.99 113.62 111.12 1xut n SER 70 Ca -0.08 0.41 -0.12 0.00 1.01 0.00 0.00 58.87 60.09 1xut n SER 70 Cb 0.55 -0.26 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.80 1.81 0.05 0.00 1.70 -1.26 -4.67 118.95 117.39 1xut s ARG 72 Ca -0.04 -2.13 -0.35 0.00 -0.47 0.00 0.00 55.73 52.74 1xut s ARG 72 Cb -0.05 -3.36 -0.20 0.00 -0.57 0.00 0.00 34.95 30.78 1xut s ARG 72 CO -0.06 -1.03 1.51 0.87 -1.08 0.00 0.00 175.30 175.50 1xut h LYS 73 N 7.33 -1.13 -1.86 3.89 1.57 -1.96 -3.48 116.57 120.93 1xut h LYS 73 Ca -0.06 0.08 0.32 0.00 -1.87 0.00 0.00 60.65 59.12 1xut h LYS 73 Cb 0.98 0.26 -0.09 0.00 0.08 0.00 0.00 32.23 33.46 1xut h LYS 73 CO 0.62 -0.75 0.85 -2.00 -0.57 0.00 0.00 179.45 177.59 1xut s GLU 74 N -5.79 0.46 0.56 3.15 2.12 -1.26 -5.00 118.70 112.94 1xut s GLU 74 Ca -0.18 -0.28 0.24 0.00 0.36 0.00 0.00 54.97 55.10 1xut s GLU 74 Cb 0.02 0.14 1.56 0.00 0.26 0.00 0.00 34.13 36.11 1xut s GLU 74 CO 0.58 -0.21 2.19 1.96 -0.54 0.00 0.00 175.26 179.23 1xut h GLN 75 N 2.00 0.00 -1.61 4.30 7.50 -2.05 -2.44 115.11 122.81 1xut h GLN 75 Ca -0.26 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 58.42 1xut h GLN 75 Cb 1.20 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 28.54 1xut h GLN 75 CO 0.30 0.00 0.53 0.41 -1.50 0.00 0.00 178.83 178.58 1xut n GLY 76 N -1.43 4.58 3.39 3.46 0.00 -1.26 -4.90 105.19 109.03 1xut n GLY 76 Ca -0.02 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 1xut n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xut s LYS 77 N -2.29 1.62 0.18 1.61 3.01 -0.92 -3.95 119.74 119.01 1xut s LYS 77 Ca 0.47 -1.68 -0.06 0.00 -1.01 0.00 0.00 55.97 53.69 1xut s LYS 77 Cb 0.35 0.38 -0.02 0.00 -1.01 0.00 0.00 37.83 37.52 1xut s LYS 77 CO -0.10 -0.63 0.22 -0.59 0.51 0.00 0.00 175.35 174.76 1xut s PHE 78 N -3.61 0.69 -0.15 3.18 -0.71 -0.50 -4.53 117.98 112.35 1xut s PHE 78 Ca 0.33 -1.02 0.01 0.00 -1.04 0.00 0.00 56.93 55.21 1xut s PHE 78 Cb 0.02 -0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.58 1xut s PHE 78 CO 0.17 -0.69 -0.17 -0.47 -1.34 0.00 0.00 175.22 172.72 1xut s TYR 79 N -4.04 2.74 -0.20 3.49 6.14 -1.26 -1.34 117.35 122.87 1xut s TYR 79 Ca 0.25 -1.10 -0.15 0.00 0.64 0.00 0.00 57.07 56.71 1xut s TYR 79 Cb 0.05 -1.85 -0.04 0.00 0.42 0.00 0.00 41.96 40.53 1xut s TYR 79 CO 0.05 -0.49 0.35 0.34 0.64 0.00 0.00 175.55 176.43 1xut s ASP 80 N 0.76 6.39 -0.03 4.32 -1.08 -0.75 -4.61 116.67 121.67 1xut s ASP 80 Ca -0.07 0.46 -0.25 0.00 -0.52 0.00 0.00 52.55 52.17 1xut s ASP 80 Cb -0.16 -2.21 -0.20 0.00 -1.46 0.00 0.00 42.92 38.90 1xut s ASP 80 CO 0.00 -0.02 1.21 1.12 0.52 0.00 0.00 175.17 178.00 1xut h HIS 81 N 7.26 0.11 -0.01 -5.34 2.07 -1.96 0.58 115.15 117.87 1xut h HIS 81 Ca -0.37 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.11 1xut h HIS 81 Cb 1.16 -0.02 -0.00 0.00 2.57 0.00 0.00 27.41 31.12 1xut h HIS 81 CO 0.66 0.64 0.08 1.37 -3.07 0.00 0.00 177.93 177.61 1xut h LEU 82 N -0.45 0.00 0.00 6.12 8.10 -1.97 -1.40 115.31 125.70 1xut h LEU 82 Ca 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.85 1xut h LEU 82 Cb 0.63 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.82 1xut h LEU 82 CO 0.01 0.00 -1.90 0.18 -4.11 0.00 0.00 178.44 172.62 1xut n LEU 83 N -3.09 0.00 -0.78 0.17 4.77 -1.17 -4.99 117.00 111.91 1xut n LEU 83 Ca -0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1xut n LEU 83 Cb 0.15 0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1xut n LEU 83 CO 0.19 0.19 -0.10 -1.14 -1.33 0.00 0.00 177.39 175.20 1xut n ARG 84 N -2.32 -1.20 -4.71 3.23 0.00 0.20 -4.97 116.66 106.89 1xut n ARG 84 Ca -0.14 0.81 -0.31 0.00 -0.00 0.00 0.00 57.85 58.21 1xut n ARG 84 Cb 0.72 -4.95 -0.09 0.00 0.00 0.00 0.00 32.46 28.14 1xut n ARG 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xut s ASP 85 N -2.56 4.03 -0.66 6.15 1.01 -1.15 -4.98 116.67 118.51 1xut s ASP 85 Ca 0.00 -1.56 -0.11 0.00 0.71 0.00 0.00 52.55 51.59 1xut s ASP 85 Cb 0.00 0.22 0.17 0.00 1.01 0.00 0.00 42.92 44.32 1xut s ASP 85 CO 0.00 -0.72 0.56 0.00 0.21 0.00 0.00 175.17 175.22 1xut s ILE 87 N 0.65 4.58 0.39 0.00 1.09 -0.45 -4.92 121.20 122.53 1xut s ILE 87 Ca 0.12 1.16 0.08 0.00 -1.10 0.00 0.00 60.65 60.91 1xut s ILE 87 Cb -0.19 -3.69 -0.01 0.00 -1.06 0.00 0.00 42.46 37.51 1xut s ILE 87 CO -0.04 -0.10 0.46 -0.44 -0.10 0.00 0.00 174.94 174.72 1xut s SER 88 N -2.08 5.53 -0.26 3.58 0.01 -1.26 -1.41 113.70 117.81 1xut s SER 88 Ca 0.53 -0.45 -0.06 0.00 1.31 0.00 0.00 55.95 57.27 1xut s SER 88 Cb -0.12 -0.82 -0.14 0.00 0.21 0.00 0.00 66.02 65.16 1xut s SER 88 CO 0.18 -0.60 -0.28 0.00 0.41 0.00 0.00 173.24 172.95 1xut h ALA 90 N -0.49 2.14 0.00 0.00 0.00 -1.96 0.43 119.26 119.38 1xut h ALA 90 Ca -0.62 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1xut h ALA 90 Cb 1.73 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1xut h ALA 90 CO -0.25 -0.65 -0.62 0.66 0.00 0.00 0.00 179.25 178.39 1xut h SER 91 N 0.00 0.00 -0.24 0.00 4.64 -1.97 -3.29 113.55 112.69 1xut h SER 91 Ca 0.20 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1xut h SER 91 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1xut h SER 91 CO -0.00 0.43 -0.02 2.30 -0.87 0.00 0.00 176.83 178.66 1xut n ILE 92 N -3.12 2.29 -1.67 0.95 -5.35 0.13 -5.01 119.36 107.57 1xut n ILE 92 Ca 0.00 -2.15 -0.42 0.00 -0.27 0.00 0.00 62.75 59.91 1xut n ILE 92 Cb 0.72 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 38.32 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 4.90 1.67 2.33 0.00 0.00 -1.26 -4.92 105.19 107.92 1xut n GLY 94 Ca 0.23 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 1.12 -4.30 1.61 6.02 -0.76 -5.10 117.38 115.97 1xut n GLN 95 Ca 0.00 -3.42 -0.20 0.00 -0.01 0.00 0.00 57.00 53.37 1xut n GLN 95 Cb 0.00 -1.63 -0.11 0.00 1.02 0.00 0.00 30.24 29.52 1xut n GLN 95 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1xut s HIS 96 N -2.64 1.64 1.29 1.08 -3.43 -1.12 -4.96 115.29 107.15 1xut s HIS 96 Ca 0.37 -0.52 -0.19 0.00 -0.80 0.00 0.00 55.06 53.93 1xut s HIS 96 Cb 0.37 -0.83 0.32 0.00 -1.43 0.00 0.00 32.58 31.02 1xut s HIS 96 CO -0.06 0.26 1.00 -2.14 -2.00 0.00 0.00 174.74 171.80 1xut s PRO 97 N -2.88 -1.90 0.60 -0.38 0.02 -1.26 -4.78 135.00 124.42 1xut s PRO 97 Ca 0.14 0.30 0.30 0.00 0.02 0.00 0.00 61.00 61.76 1xut s PRO 97 Cb -0.05 -1.48 1.77 0.00 0.02 0.00 0.00 34.50 34.76 1xut s PRO 97 CO 0.05 -4.24 2.17 1.57 -0.33 0.00 0.00 177.00 176.23 1xut h LYS 98 N -2.97 0.00 0.00 5.54 2.10 -2.01 -0.08 116.57 119.15 1xut h LYS 98 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1xut h LYS 98 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1xut h LYS 98 CO 0.38 0.00 0.00 -0.56 -2.00 0.00 0.00 179.45 177.27 1xut h GLN 99 N 0.00 0.00 0.00 0.07 3.07 -2.03 -0.73 115.11 115.50 1xut h GLN 99 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1xut h GLN 99 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.83 1xut h GLN 99 CO -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 178.83 178.89 1xut h ALA 101 N 0.00 1.01 0.00 0.00 0.00 -1.01 -2.63 119.26 116.63 1xut h ALA 101 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xut h ALA 101 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xut h ALA 101 CO 0.00 0.03 0.00 2.48 0.00 0.00 0.00 179.25 181.76 1xut n TYR 102 N -3.14 0.65 -0.01 0.00 0.18 -1.26 -3.15 117.16 110.43 1xut n TYR 102 Ca 0.00 0.21 -0.01 0.00 1.88 0.00 0.00 57.90 59.99 1xut n TYR 102 Cb 0.31 -0.84 -0.00 0.00 -0.38 0.00 0.00 39.34 38.43 1xut n TYR 102 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1xut h PHE 103 N 0.00 0.00 -2.79 -3.48 3.04 -1.75 -3.39 116.94 108.56 1xut h PHE 103 Ca 0.00 0.00 -0.61 0.00 3.98 0.00 0.00 57.97 61.34 1xut h PHE 103 Cb 0.57 0.00 -0.40 0.00 2.56 0.00 0.00 35.95 38.67 1xut h PHE 103 CO 0.00 0.00 -0.75 0.00 -2.02 0.00 0.00 178.31 175.54 1xut n GLU 105 N 2.49 0.24 -0.13 0.00 -0.58 -0.72 -4.14 120.64 117.79 1xut n GLU 105 Ca 0.22 -0.51 0.27 0.00 -0.42 0.00 0.00 57.16 56.72 1xut n GLU 105 Cb 0.40 0.67 0.72 0.00 -0.57 0.00 0.00 31.44 32.66 1xut n GLU 105 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 1xut h ASN 106 N 0.60 0.00 0.80 1.62 -1.07 -1.99 0.41 115.58 115.95 1xut h ASN 106 Ca -0.09 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.16 1xut h ASN 106 Cb 0.37 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.60 1xut h ASN 106 CO 0.12 0.00 -0.56 0.11 0.07 0.00 0.00 177.43 177.16 1xut h LYS 107 N 0.00 0.00 -1.79 4.14 1.57 -1.94 -3.41 116.57 115.14 1xut h LYS 107 Ca 0.38 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.97 1xut h LYS 107 Cb 1.56 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.58 1xut h LYS 107 CO -0.00 0.56 -0.53 -1.17 -0.57 0.00 0.00 179.45 177.74 1xut s LEU 108 N -7.24 -0.70 0.00 2.94 1.98 0.14 -4.91 118.68 110.89 1xut s LEU 108 Ca -0.00 -0.28 0.10 0.00 -2.89 0.00 0.00 54.13 51.06 1xut s LEU 108 Cb 0.11 1.05 0.08 0.00 0.66 0.00 0.00 46.19 48.09 1xut s LEU 108 CO 0.74 -0.35 0.81 0.54 -1.89 0.00 0.00 176.35 176.20