#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 3.64 0.02 1.61 0.01 -1.26 -4.96 113.70 112.76 1xut s SER 65 Ca 0.00 -3.46 -0.15 0.00 1.31 0.00 0.00 55.95 53.64 1xut s SER 65 Cb 0.00 -1.21 -0.08 0.00 0.21 0.00 0.00 66.02 64.94 1xut s SER 65 CO 0.00 -0.13 1.11 -0.65 0.41 0.00 0.00 173.24 173.98 1xut h PRO 66 N 5.64 -0.53 0.00 12.44 0.11 -2.02 -3.43 132.00 144.21 1xut h PRO 66 Ca 0.16 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1xut h PRO 66 Cb 0.82 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1xut h PRO 66 CO 0.59 -0.35 -0.43 0.91 -0.21 0.00 0.00 178.00 178.50 1xut n TRP 67 N -3.63 0.00 -1.80 0.65 8.01 -1.26 -4.91 117.44 114.49 1xut n TRP 67 Ca -0.07 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.69 1xut n TRP 67 Cb 0.22 -0.22 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 1xut n TRP 67 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1xut s SER 68 N -4.99 5.86 -0.12 -0.99 0.15 -1.25 -4.81 113.70 107.55 1xut s SER 68 Ca -0.13 1.80 0.15 0.00 0.70 0.00 0.00 55.95 58.47 1xut s SER 68 Cb 0.02 -2.52 -0.21 0.00 -1.71 0.00 0.00 66.02 61.59 1xut s SER 68 CO 0.19 -1.65 0.13 0.18 1.20 0.00 0.00 173.24 173.29 1xut n LEU 69 N 10.20 0.00 -4.60 3.45 4.77 -1.26 -4.71 117.00 124.86 1xut n LEU 69 Ca 0.25 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.92 1xut n LEU 69 Cb 0.45 0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 1xut n LEU 69 CO 0.67 0.29 -0.39 -0.55 -1.33 0.00 0.00 177.39 176.07 1xut s SER 70 N -4.69 4.57 0.18 -1.43 0.15 -1.26 -5.11 113.70 106.11 1xut s SER 70 Ca -0.07 -0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.08 1xut s SER 70 Cb 0.06 -0.98 0.05 0.00 -1.71 0.00 0.00 66.02 63.44 1xut s SER 70 CO 0.66 0.22 0.80 0.00 1.20 0.00 0.00 173.24 176.12 1xut n ARG 72 N -0.42 -2.65 0.12 0.00 1.74 -1.26 -4.92 116.66 109.27 1xut n ARG 72 Ca -0.08 -0.76 0.12 0.00 -0.77 0.00 0.00 57.85 56.37 1xut n ARG 72 Cb 0.61 -1.99 0.23 0.00 -1.02 0.00 0.00 32.46 30.29 1xut n ARG 72 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1xut h LYS 73 N -2.70 0.00 -6.16 5.56 2.10 -2.03 -3.46 116.57 109.88 1xut h LYS 73 Ca -0.58 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 57.38 1xut h LYS 73 Cb 1.33 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.67 1xut h LYS 73 CO 0.44 0.00 1.06 0.39 -2.00 0.00 0.00 179.45 179.33 1xut n GLU 74 N -2.48 1.44 0.02 0.07 4.71 -1.26 -4.82 120.64 118.31 1xut n GLU 74 Ca 0.04 0.51 0.05 0.00 -0.01 0.00 0.00 57.16 57.75 1xut n GLU 74 Cb 0.47 -2.33 0.45 0.00 -1.01 0.00 0.00 31.44 29.03 1xut n GLU 74 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1xut h GLN 75 N 8.72 0.48 -3.43 3.49 4.15 -2.03 -3.24 115.11 123.26 1xut h GLN 75 Ca -0.44 -0.03 -0.58 0.00 0.77 0.00 0.00 58.65 58.37 1xut h GLN 75 Cb 1.31 -0.11 0.02 0.00 0.21 0.00 0.00 27.48 28.90 1xut h GLN 75 CO 0.97 0.32 3.21 0.41 -1.93 0.00 0.00 178.83 181.81 1xut n GLY 76 N -1.48 3.76 2.76 2.39 0.00 -1.26 -4.79 105.19 106.57 1xut n GLY 76 Ca 0.03 -1.29 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 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 2.99 -0.02 0.52 1.61 1.02 -1.22 -1.20 119.74 123.42 1xut s LYS 77 Ca 0.56 0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.98 1xut s LYS 77 Cb 0.15 -0.36 0.01 0.00 -0.52 0.00 0.00 37.83 37.11 1xut s LYS 77 CO -0.04 -0.27 0.25 -0.59 -0.92 0.00 0.00 175.35 173.78 1xut s PHE 78 N 1.88 1.82 -0.15 3.18 -0.71 0.17 -4.94 117.98 119.23 1xut s PHE 78 Ca 0.00 -0.84 0.01 0.00 -1.04 0.00 0.00 56.93 55.06 1xut s PHE 78 Cb -0.12 -1.83 0.00 0.00 -1.21 0.00 0.00 43.02 39.86 1xut s PHE 78 CO -0.04 -0.17 -0.17 -0.47 -1.34 0.00 0.00 175.22 173.02 1xut s TYR 79 N -2.78 2.74 -0.30 3.49 6.14 -1.26 -0.42 117.35 124.96 1xut s TYR 79 Ca 0.26 -1.12 -0.04 0.00 0.64 0.00 0.00 57.07 56.81 1xut s TYR 79 Cb -0.00 -1.86 0.03 0.00 0.42 0.00 0.00 41.96 40.55 1xut s TYR 79 CO 0.16 -0.50 0.04 0.34 0.64 0.00 0.00 175.55 176.22 1xut s ASP 80 N 0.78 4.97 0.16 4.32 -1.08 -0.86 -4.96 116.67 120.02 1xut s ASP 80 Ca -0.06 -1.06 -0.16 0.00 -0.52 0.00 0.00 52.55 50.75 1xut s ASP 80 Cb -0.15 -1.79 0.10 0.00 -1.46 0.00 0.00 42.92 39.62 1xut s ASP 80 CO -0.00 -0.25 1.69 1.12 0.52 0.00 0.00 175.17 178.26 1xut h HIS 81 N 8.12 -0.06 -0.06 -5.34 2.07 -1.96 0.87 115.15 118.78 1xut h HIS 81 Ca -0.26 0.03 0.02 0.00 -2.85 0.00 0.00 60.37 57.31 1xut h HIS 81 Cb 1.09 0.08 -0.00 0.00 2.57 0.00 0.00 27.41 31.15 1xut h HIS 81 CO 0.60 -0.09 0.19 1.37 -3.07 0.00 0.00 177.93 176.93 1xut h LEU 82 N 0.08 0.00 0.00 6.12 8.10 -1.97 -0.83 115.31 126.82 1xut h LEU 82 Ca 0.19 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 58.01 1xut h LEU 82 Cb 0.27 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.46 1xut h LEU 82 CO -0.33 0.00 -2.03 0.18 -4.11 0.00 0.00 178.44 172.15 1xut n LEU 83 N -3.24 0.00 -0.95 0.17 4.77 0.06 -4.99 117.00 112.82 1xut n LEU 83 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1xut n LEU 83 Cb 0.27 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1xut n LEU 83 CO 0.20 0.23 -0.12 0.54 -1.33 0.00 0.00 177.39 176.91 1xut n ARG 84 N -2.41 -1.06 -4.42 3.23 3.00 0.28 -4.97 116.66 110.30 1xut n ARG 84 Ca -0.17 0.91 -0.23 0.00 -0.01 0.00 0.00 57.85 58.36 1xut n ARG 84 Cb 0.80 -5.02 -0.08 0.00 0.00 0.00 0.00 32.46 28.16 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 -2.72 2.34 -0.56 0.55 1.11 -1.22 -3.87 116.67 112.29 1xut s ASP 85 Ca 0.00 -1.71 -0.12 0.00 0.18 0.00 0.00 52.55 50.89 1xut s ASP 85 Cb 0.00 0.54 0.14 0.00 1.07 0.00 0.00 42.92 44.67 1xut s ASP 85 CO 0.00 -0.99 0.47 0.00 1.18 0.00 0.00 175.17 175.83 1xut s ILE 87 N 1.20 4.50 0.66 0.00 1.09 0.44 -4.77 121.20 124.32 1xut s ILE 87 Ca 0.07 1.33 -0.06 0.00 -1.10 0.00 0.00 60.65 60.89 1xut s ILE 87 Cb -0.25 -3.79 0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1xut s ILE 87 CO -0.01 0.01 0.97 -0.44 -0.10 0.00 0.00 174.94 175.38 1xut s SER 88 N -1.89 5.10 -0.24 3.58 0.01 -1.26 0.41 113.70 119.42 1xut s SER 88 Ca 0.50 0.54 -0.05 0.00 1.31 0.00 0.00 55.95 58.25 1xut s SER 88 Cb -0.14 -1.32 -0.13 0.00 0.21 0.00 0.00 66.02 64.64 1xut s SER 88 CO 0.19 -1.40 -0.26 0.00 0.41 0.00 0.00 173.24 172.19 1xut h ALA 90 N -0.43 1.81 0.00 0.00 0.00 -1.95 0.69 119.26 119.38 1xut h ALA 90 Ca -0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.32 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 -0.22 0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.77 1xut h SER 91 N 0.59 0.00 0.00 0.00 4.64 -1.92 -2.97 113.55 113.90 1xut h SER 91 Ca 0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1xut h SER 91 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1xut h SER 91 CO -0.08 0.00 -0.25 2.30 -0.87 0.00 0.00 176.83 177.93 1xut n ILE 92 N -2.65 1.96 -1.71 0.95 -5.35 0.14 -5.04 119.36 107.67 1xut n ILE 92 Ca 0.02 -2.64 -0.42 0.00 -0.27 0.00 0.00 62.75 59.43 1xut n ILE 92 Cb 0.28 -0.21 -0.03 0.00 -1.74 0.00 0.00 39.64 37.95 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 4.89 1.66 2.67 0.00 0.00 -1.26 -4.89 105.19 108.26 1xut n GLY 94 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.15 1.57 -4.45 1.61 6.02 -0.56 -5.10 117.38 116.33 1xut n GLN 95 Ca 0.00 -3.45 -0.23 0.00 -0.01 0.00 0.00 57.00 53.30 1xut n GLN 95 Cb 0.00 -1.46 -0.10 0.00 1.02 0.00 0.00 30.24 29.70 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 -3.36 2.21 1.19 1.08 -3.43 -0.93 -4.96 115.29 107.10 1xut s HIS 96 Ca 0.30 -0.36 -0.15 0.00 -0.80 0.00 0.00 55.06 54.05 1xut s HIS 96 Cb 0.42 -0.97 0.29 0.00 -1.43 0.00 0.00 32.58 30.88 1xut s HIS 96 CO -0.00 0.66 1.03 -1.25 -2.00 0.00 0.00 174.74 173.18 1xut s PRO 97 N -3.50 -1.10 0.60 -0.38 0.04 -1.26 -4.82 135.00 124.57 1xut s PRO 97 Ca 0.29 0.59 0.30 0.00 0.04 0.00 0.00 61.00 62.22 1xut s PRO 97 Cb -0.05 -1.55 1.72 0.00 0.04 0.00 0.00 34.50 34.67 1xut s PRO 97 CO 0.14 -3.78 2.13 -0.22 0.04 0.00 0.00 177.00 175.31 1xut h LYS 98 N -2.65 0.00 -0.51 4.56 3.64 -2.01 -1.19 116.57 118.41 1xut h LYS 98 Ca -0.58 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.80 1xut h LYS 98 Cb 1.34 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 1xut h LYS 98 CO 0.48 0.00 0.29 0.37 -2.27 0.00 0.00 179.45 178.32 1xut h GLN 99 N 0.00 0.69 -0.90 1.90 5.75 -2.04 -1.44 115.11 119.07 1xut h GLN 99 Ca 0.06 -0.06 -0.25 0.00 -0.15 0.00 0.00 58.65 58.26 1xut h GLN 99 Cb 0.39 -0.15 -0.15 0.00 1.07 0.00 0.00 27.48 28.65 1xut h GLN 99 CO -0.00 0.50 0.31 0.00 -2.65 0.00 0.00 178.83 176.99 1xut h ALA 101 N 2.00 0.69 0.00 0.00 0.00 -1.34 -3.08 119.26 117.54 1xut h ALA 101 Ca 0.30 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xut h ALA 101 Cb 2.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1xut h ALA 101 CO 0.64 0.99 0.00 0.10 0.00 0.00 0.00 179.25 180.98 1xut h TYR 102 N 0.00 0.00 0.00 0.00 -0.00 -1.80 -3.14 116.97 112.03 1xut h TYR 102 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.72 1xut h TYR 102 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.13 1xut h TYR 102 CO 0.00 0.00 -0.07 0.34 -0.00 0.00 0.00 178.16 178.43 1xut n PHE 103 N -2.60 0.14 -3.66 0.10 -0.00 -1.16 -4.90 117.46 105.38 1xut n PHE 103 Ca -0.01 0.06 -0.29 0.00 -0.00 0.00 0.00 57.45 57.21 1xut n PHE 103 Cb 0.13 -0.33 -0.14 0.00 -0.00 0.00 0.00 39.48 39.14 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 4.43 0.24 0.28 0.00 -0.58 -1.19 -4.27 120.64 119.56 1xut n GLU 105 Ca 0.03 -0.51 0.18 0.00 -0.42 0.00 0.00 57.16 56.44 1xut n GLU 105 Cb 0.39 0.67 0.97 0.00 -0.57 0.00 0.00 31.44 32.90 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 0.58 0.00 -0.72 1.62 7.08 -1.99 -1.55 115.58 120.60 1xut h ASN 106 Ca -0.09 0.00 -0.45 0.00 -3.08 0.00 0.00 56.30 52.69 1xut h ASN 106 Cb 0.36 0.00 -0.21 0.00 -2.08 0.00 0.00 38.32 36.38 1xut h ASN 106 CO 0.11 0.00 0.58 2.29 -2.08 0.00 0.00 177.43 178.33 1xut n LYS 107 N -3.47 2.10 -1.89 4.14 2.85 -1.26 -4.13 118.16 116.51 1xut n LYS 107 Ca -0.01 -2.29 -0.01 0.00 -1.05 0.00 0.00 58.31 54.95 1xut n LYS 107 Cb 0.21 -1.90 -0.01 0.00 -0.65 0.00 0.00 35.03 32.68 1xut n LYS 107 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1xut n LEU 108 N -0.38 -0.37 0.00 -5.58 -0.00 -0.58 -4.80 117.00 105.29 1xut n LEU 108 Ca 0.44 -1.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.20 1xut n LEU 108 Cb 0.86 0.96 0.00 0.00 -0.00 0.00 0.00 43.42 45.24 1xut n LEU 108 CO 0.53 1.04 0.19 -1.14 -0.00 0.00 0.00 177.39 178.01