#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 6.56 0.11 1.61 0.01 -1.26 -5.00 113.70 115.74 1xut s SER 65 Ca 0.00 0.67 -0.28 0.00 1.31 0.00 0.00 55.95 57.65 1xut s SER 65 Cb 0.00 -2.16 -0.08 0.00 0.21 0.00 0.00 66.02 63.99 1xut s SER 65 CO 0.00 0.31 1.63 -0.65 0.41 0.00 0.00 173.24 174.94 1xut h PRO 66 N 5.23 -0.49 -7.08 12.44 0.11 -1.98 -3.43 132.00 136.80 1xut h PRO 66 Ca -0.51 0.03 -0.38 0.00 0.11 0.00 0.00 66.00 65.25 1xut h PRO 66 Cb 1.21 0.11 0.21 0.00 0.11 0.00 0.00 31.00 32.65 1xut h PRO 66 CO 0.63 -0.33 -0.09 -1.58 -0.21 0.00 0.00 178.00 176.43 1xut s TRP 67 N -6.03 -0.68 0.00 0.65 0.51 -1.26 -4.95 118.94 107.18 1xut s TRP 67 Ca -0.16 0.50 0.00 0.00 -2.12 0.00 0.00 56.10 54.32 1xut s TRP 67 Cb 0.08 -2.98 0.00 0.00 -0.81 0.00 0.00 33.47 29.76 1xut s TRP 67 CO 0.65 -4.94 0.00 0.45 -0.51 0.00 0.00 176.95 172.59 1xut n SER 68 N -5.58 0.00 -0.22 2.95 2.88 -1.26 -4.94 113.62 107.44 1xut n SER 68 Ca 0.14 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.77 1xut n SER 68 Cb 0.60 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.53 1xut n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xut n LEU 69 N -0.38 0.67 -2.12 2.46 -0.00 -1.26 -3.95 117.00 112.43 1xut n LEU 69 Ca 0.00 -0.28 -0.26 0.00 -0.00 0.00 0.00 56.01 55.47 1xut n LEU 69 Cb 0.00 -0.04 0.08 0.00 -0.00 0.00 0.00 43.42 43.45 1xut n LEU 69 CO 0.00 0.14 1.32 -1.20 -0.00 0.00 0.00 177.39 177.65 1xut n SER 70 N -0.34 6.56 -4.21 1.45 7.64 -1.26 -4.91 113.62 118.56 1xut n SER 70 Ca 0.15 -3.45 -0.19 0.00 1.01 0.00 0.00 58.87 56.39 1xut n SER 70 Cb 0.17 -0.97 -0.12 0.00 -1.01 0.00 0.00 64.21 62.28 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 -2.14 -0.30 0.66 0.00 0.52 -1.26 -4.87 118.95 111.56 1xut s ARG 72 Ca 0.03 0.67 0.40 0.00 -0.52 0.00 0.00 55.73 56.32 1xut s ARG 72 Cb -0.08 -1.64 2.21 0.00 0.52 0.00 0.00 34.95 35.96 1xut s ARG 72 CO 0.03 -3.26 2.28 0.87 0.02 0.00 0.00 175.30 175.23 1xut h LYS 73 N -2.28 0.00 -6.10 3.54 1.57 -2.01 -3.42 116.57 107.87 1xut h LYS 73 Ca -0.58 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.53 1xut h LYS 73 Cb 1.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.64 1xut h LYS 73 CO 0.54 0.00 1.24 0.39 -0.57 0.00 0.00 179.45 181.05 1xut n GLU 74 N -3.16 1.47 -0.16 3.15 -0.58 -1.26 -4.84 120.64 115.26 1xut n GLU 74 Ca -0.03 0.48 -0.07 0.00 -0.42 0.00 0.00 57.16 57.12 1xut n GLU 74 Cb 0.14 -2.50 0.08 0.00 -0.57 0.00 0.00 31.44 28.59 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 10.69 0.94 -3.15 3.49 4.20 -2.01 -3.27 115.11 125.99 1xut h GLN 75 Ca -0.38 -0.29 -0.67 0.00 0.06 0.00 0.00 58.65 57.37 1xut h GLN 75 Cb 1.30 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 29.01 1xut h GLN 75 CO 0.98 0.94 3.75 0.41 -0.67 0.00 0.00 178.83 184.25 1xut n GLY 76 N -0.49 4.26 3.52 3.46 0.00 -1.26 -4.81 105.19 109.87 1xut n GLY 76 Ca 0.03 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.38 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 2.33 0.91 0.33 1.61 2.20 -1.24 -4.37 119.74 121.52 1xut s LYS 77 Ca 0.66 0.48 0.04 0.00 -0.36 0.00 0.00 55.97 56.80 1xut s LYS 77 Cb 0.17 0.43 -0.06 0.00 -1.51 0.00 0.00 37.83 36.86 1xut s LYS 77 CO -0.06 -0.22 0.04 -0.59 -0.36 0.00 0.00 175.35 174.15 1xut s PHE 78 N -0.59 2.02 -0.12 4.03 -0.71 0.19 -4.98 117.98 117.82 1xut s PHE 78 Ca -0.07 -0.89 -0.02 0.00 -1.04 0.00 0.00 56.93 54.92 1xut s PHE 78 Cb -0.02 -1.31 -0.03 0.00 -1.21 0.00 0.00 43.02 40.45 1xut s PHE 78 CO 0.06 0.09 -0.06 -0.47 -1.34 0.00 0.00 175.22 173.51 1xut s TYR 79 N -3.20 2.98 -0.06 3.49 6.14 -1.26 0.02 117.35 125.46 1xut s TYR 79 Ca 0.35 -0.20 -0.01 0.00 0.64 0.00 0.00 57.07 57.85 1xut s TYR 79 Cb 0.08 -1.85 -0.03 0.00 0.42 0.00 0.00 41.96 40.58 1xut s TYR 79 CO 0.15 0.10 0.01 0.34 0.64 0.00 0.00 175.55 176.79 1xut s ASP 80 N -0.11 5.26 -0.15 4.32 -1.08 -0.55 -4.68 116.67 119.68 1xut s ASP 80 Ca 0.02 0.11 -0.22 0.00 -0.52 0.00 0.00 52.55 51.94 1xut s ASP 80 Cb -0.13 -1.46 -0.19 0.00 -1.46 0.00 0.00 42.92 39.68 1xut s ASP 80 CO 0.03 0.34 0.48 1.12 0.52 0.00 0.00 175.17 177.66 1xut h HIS 81 N 4.85 0.00 0.00 -5.34 2.07 -1.94 -0.91 115.15 113.87 1xut h HIS 81 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 1xut h HIS 81 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1xut h HIS 81 CO 0.63 0.88 0.00 1.37 -3.07 0.00 0.00 177.93 177.74 1xut h LEU 82 N -1.00 0.00 0.00 6.12 -0.00 -1.97 -1.64 115.31 116.82 1xut h LEU 82 Ca -0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.54 1xut h LEU 82 Cb 0.87 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.48 1xut h LEU 82 CO -0.04 0.00 -2.21 0.18 -0.00 0.00 0.00 178.44 176.37 1xut n LEU 83 N -2.74 0.00 -0.99 0.17 4.77 -1.25 -4.98 117.00 111.98 1xut n LEU 83 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1xut n LEU 83 Cb 0.07 0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1xut n LEU 83 CO 0.16 0.36 -0.12 -1.14 -1.33 0.00 0.00 177.39 175.32 1xut n ARG 84 N -2.58 -1.12 -4.46 3.23 0.00 -0.35 -4.96 116.66 106.41 1xut n ARG 84 Ca -0.25 0.93 -0.26 0.00 -0.00 0.00 0.00 57.85 58.28 1xut n ARG 84 Cb 0.98 -5.07 -0.07 0.00 0.00 0.00 0.00 32.46 28.30 1xut n ARG 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1xut n ASP 85 N -0.51 1.11 -4.38 6.15 9.92 -1.20 -4.99 116.55 122.66 1xut n ASP 85 Ca -0.13 -3.24 -0.41 0.00 -0.53 0.00 0.00 54.79 50.48 1xut n ASP 85 Cb 0.48 1.11 -0.11 0.00 -0.64 0.00 0.00 41.12 41.96 1xut n ASP 85 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xut s ILE 87 N 1.56 4.23 0.49 0.00 1.09 0.10 -4.91 121.20 123.76 1xut s ILE 87 Ca 0.02 -1.45 0.02 0.00 -1.10 0.00 0.00 60.65 58.14 1xut s ILE 87 Cb -0.19 -3.32 0.02 0.00 -1.06 0.00 0.00 42.46 37.90 1xut s ILE 87 CO 0.07 -0.33 0.69 -0.44 -0.10 0.00 0.00 174.94 174.83 1xut s SER 88 N -3.84 5.53 -0.12 3.58 0.01 -1.26 0.56 113.70 118.15 1xut s SER 88 Ca 0.34 -0.01 0.14 0.00 1.31 0.00 0.00 55.95 57.73 1xut s SER 88 Cb -0.07 -1.04 -0.21 0.00 0.21 0.00 0.00 66.02 64.91 1xut s SER 88 CO 0.25 -0.91 0.12 0.00 0.41 0.00 0.00 173.24 173.10 1xut h ALA 90 N 0.93 0.95 0.00 0.00 0.00 -1.95 -2.87 119.26 116.31 1xut h ALA 90 Ca -0.33 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1xut h ALA 90 Cb 1.69 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1xut h ALA 90 CO 0.02 0.27 -0.84 0.77 0.00 0.00 0.00 179.25 179.46 1xut h SER 91 N 0.00 0.00 -0.44 0.00 0.02 -1.97 -3.32 113.55 107.84 1xut h SER 91 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1xut h SER 91 Cb 0.88 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.35 1xut h SER 91 CO 0.03 0.25 0.07 2.30 -1.14 0.00 0.00 176.83 178.33 1xut n ILE 92 N -2.91 2.56 -1.96 3.27 -5.35 -1.16 -4.99 119.36 108.82 1xut n ILE 92 Ca -0.02 -2.01 -0.43 0.00 -0.27 0.00 0.00 62.75 60.03 1xut n ILE 92 Cb 0.66 -0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 38.23 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 4.58 2.57 2.34 0.00 0.00 -1.26 -4.93 105.19 108.49 1xut n GLY 94 Ca 0.20 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 1.01 -4.46 1.61 1.13 -1.08 -5.11 117.38 110.48 1xut n GLN 95 Ca 0.00 -3.14 -0.24 0.00 -1.94 0.00 0.00 57.00 51.69 1xut n GLN 95 Cb 0.00 -1.52 -0.10 0.00 0.11 0.00 0.00 30.24 28.73 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 -2.11 2.25 1.21 1.08 -3.43 -1.15 -5.01 115.29 108.13 1xut s HIS 96 Ca 0.35 -0.36 -0.18 0.00 -0.80 0.00 0.00 55.06 54.07 1xut s HIS 96 Cb 0.36 -1.00 0.29 0.00 -1.43 0.00 0.00 32.58 30.80 1xut s HIS 96 CO -0.06 0.68 1.07 -1.25 -2.00 0.00 0.00 174.74 173.18 1xut s PRO 97 N -3.53 -1.30 0.55 -0.38 0.04 -1.26 -4.85 135.00 124.28 1xut s PRO 97 Ca 0.30 0.10 0.24 0.00 0.04 0.00 0.00 61.00 61.68 1xut s PRO 97 Cb -0.04 -1.57 1.50 0.00 0.04 0.00 0.00 34.50 34.43 1xut s PRO 97 CO 0.14 -3.79 2.12 1.57 0.04 0.00 0.00 177.00 177.08 1xut h LYS 98 N -2.64 0.00 -0.82 4.56 2.10 -2.01 -1.90 116.57 115.86 1xut h LYS 98 Ca -0.47 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.25 1xut h LYS 98 Cb 1.31 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.58 1xut h LYS 98 CO 0.38 0.00 0.49 0.37 -2.00 0.00 0.00 179.45 178.68 1xut h GLN 99 N 0.00 0.84 -0.82 0.07 4.15 -2.01 -0.42 115.11 116.91 1xut h GLN 99 Ca 0.07 -0.05 -0.19 0.00 0.77 0.00 0.00 58.65 59.26 1xut h GLN 99 Cb 0.34 -0.19 -0.11 0.00 0.21 0.00 0.00 27.48 27.73 1xut h GLN 99 CO -0.00 0.55 0.24 0.00 -1.93 0.00 0.00 178.83 177.69 1xut h ALA 101 N 2.49 1.00 0.00 0.00 0.00 -1.03 -3.01 119.26 118.71 1xut h ALA 101 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xut h ALA 101 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1xut h ALA 101 CO 0.61 0.00 0.00 2.48 0.00 0.00 0.00 179.25 182.34 1xut n TYR 102 N -2.71 0.00 -0.00 0.00 0.18 -1.26 -3.56 117.16 109.81 1xut n TYR 102 Ca 0.03 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.81 1xut n TYR 102 Cb 0.40 -0.17 -0.00 0.00 -0.38 0.00 0.00 39.34 39.19 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 -1.17 0.00 -3.57 -3.48 -0.00 -1.14 -4.95 117.46 103.16 1xut n PHE 103 Ca 0.16 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.33 1xut n PHE 103 Cb 0.16 -0.03 -0.12 0.00 -0.00 0.00 0.00 39.48 39.50 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 3.17 0.22 -1.61 0.00 1.02 -1.23 -4.12 120.64 118.09 1xut n GLU 105 Ca 0.19 -1.03 -0.33 0.00 -0.02 0.00 0.00 57.16 55.97 1xut n GLU 105 Cb 0.40 0.95 -0.07 0.00 -0.02 0.00 0.00 31.44 32.70 1xut n GLU 105 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1xut n ASN 106 N -2.13 2.55 0.00 1.62 0.23 -1.26 -3.17 115.26 113.10 1xut n ASN 106 Ca 0.01 -2.66 0.00 0.00 -0.53 0.00 0.00 54.58 51.40 1xut n ASN 106 Cb 0.21 -1.45 0.00 0.00 -2.08 0.00 0.00 39.78 36.46 1xut n ASN 106 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1xut n LYS 107 N 7.85 0.00 -2.03 -3.83 -0.00 -1.26 -5.13 118.16 113.77 1xut n LYS 107 Ca 0.46 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.36 1xut n LYS 107 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.46 1xut n LYS 107 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1xut s LEU 108 N -2.86 4.40 0.00 -5.58 2.34 -1.19 -5.22 118.68 110.56 1xut s LEU 108 Ca 0.00 2.78 0.00 0.00 0.06 0.00 0.00 54.13 56.97 1xut s LEU 108 Cb 0.00 -3.65 0.00 0.00 -0.56 0.00 0.00 46.19 41.98 1xut s LEU 108 CO 0.00 -0.64 0.00 0.54 -1.06 0.00 0.00 176.35 175.19