#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 -1.24 0.04 1.61 0.01 -1.26 -5.06 113.70 107.80 1xut s SER 65 Ca 0.00 -1.12 -0.21 0.00 1.31 0.00 0.00 55.95 55.93 1xut s SER 65 Cb 0.00 1.79 -0.11 0.00 0.21 0.00 0.00 66.02 67.92 1xut s SER 65 CO 0.00 -0.15 1.32 -0.65 0.41 0.00 0.00 173.24 174.17 1xut h PRO 66 N 6.50 -0.64 0.00 12.44 0.11 -2.01 -3.40 132.00 144.98 1xut h PRO 66 Ca 0.06 0.04 -0.37 0.00 0.11 0.00 0.00 66.00 65.84 1xut h PRO 66 Cb 1.15 0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 1xut h PRO 66 CO 0.09 -0.43 -2.21 0.91 -0.21 0.00 0.00 178.00 176.15 1xut n TRP 67 N -4.08 0.00 -1.70 0.65 8.01 -1.26 -4.98 117.44 114.08 1xut n TRP 67 Ca -0.08 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.68 1xut n TRP 67 Cb 0.28 -0.86 -0.01 0.00 -2.01 0.00 0.00 31.31 28.71 1xut n TRP 67 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1xut n SER 68 N -4.20 2.97 -0.11 -0.99 2.88 -1.25 -4.93 113.62 107.99 1xut n SER 68 Ca -0.45 1.19 -0.16 0.00 -1.33 0.00 0.00 58.87 58.11 1xut n SER 68 Cb 0.80 -1.49 -0.10 0.00 -0.75 0.00 0.00 64.21 62.67 1xut n SER 68 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xut n LEU 69 N 1.25 2.88 -4.02 2.46 4.77 -1.26 -4.69 117.00 118.39 1xut n LEU 69 Ca 0.07 -0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 1xut n LEU 69 Cb 0.35 -0.78 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 1xut n LEU 69 CO 0.63 0.85 0.05 -0.55 -1.33 0.00 0.00 177.39 177.04 1xut s SER 70 N -6.26 -0.02 0.14 -1.43 0.15 -1.26 -5.08 113.70 99.94 1xut s SER 70 Ca -0.31 -0.98 -0.04 0.00 0.70 0.00 0.00 55.95 55.32 1xut s SER 70 Cb 0.08 0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1xut s SER 70 CO 0.51 -1.01 0.14 0.00 1.20 0.00 0.00 173.24 174.08 1xut n ARG 72 N -0.14 -3.19 0.18 0.00 1.74 -1.26 -4.86 116.66 109.13 1xut n ARG 72 Ca -0.06 -0.93 0.14 0.00 -0.77 0.00 0.00 57.85 56.23 1xut n ARG 72 Cb 0.63 -1.96 0.60 0.00 -1.02 0.00 0.00 32.46 30.71 1xut n ARG 72 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1xut h LYS 73 N -2.95 0.00 -6.04 5.56 3.64 -2.05 -3.44 116.57 111.30 1xut h LYS 73 Ca -0.52 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.20 1xut h LYS 73 Cb 1.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1xut h LYS 73 CO 0.38 0.00 1.34 0.39 -2.27 0.00 0.00 179.45 179.29 1xut n GLU 74 N -2.51 1.32 -0.06 1.90 1.02 -1.26 -4.84 120.64 116.21 1xut n GLU 74 Ca 0.01 0.39 -0.14 0.00 -0.02 0.00 0.00 57.16 57.41 1xut n GLU 74 Cb 0.21 -2.53 -0.07 0.00 -0.02 0.00 0.00 31.44 29.03 1xut n GLU 74 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1xut h GLN 75 N 11.81 0.45 -5.05 3.49 5.75 -2.01 -3.37 115.11 126.19 1xut h GLN 75 Ca -0.33 -0.26 -0.54 0.00 -0.15 0.00 0.00 58.65 57.37 1xut h GLN 75 Cb 1.31 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.86 1xut h GLN 75 CO 1.00 0.85 1.89 0.41 -2.65 0.00 0.00 178.83 180.33 1xut n GLY 76 N 0.31 2.16 3.13 2.39 0.00 -1.26 -4.85 105.19 107.07 1xut n GLY 76 Ca -0.06 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 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 5.25 0.57 0.34 1.61 1.02 -1.26 -3.15 119.74 124.12 1xut s LYS 77 Ca 0.60 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 56.09 1xut s LYS 77 Cb 0.07 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.60 1xut s LYS 77 CO 0.10 -0.15 0.08 1.97 -0.92 0.00 0.00 175.35 176.43 1xut n PHE 78 N 1.11 0.34 -4.03 3.18 -1.74 0.24 -4.91 117.46 111.65 1xut n PHE 78 Ca -0.21 -1.99 -0.34 0.00 -0.56 0.00 0.00 57.45 54.35 1xut n PHE 78 Cb 0.57 -0.08 -0.15 0.00 1.52 0.00 0.00 39.48 41.34 1xut n PHE 78 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1xut s TYR 79 N -2.63 2.92 -0.57 2.97 6.14 -1.26 -1.06 117.35 123.85 1xut s TYR 79 Ca 0.11 -1.50 -0.13 0.00 0.64 0.00 0.00 57.07 56.19 1xut s TYR 79 Cb 0.01 -2.00 0.14 0.00 0.42 0.00 0.00 41.96 40.53 1xut s TYR 79 CO 0.08 -0.73 0.50 0.34 0.64 0.00 0.00 175.55 176.38 1xut s ASP 80 N 1.33 6.11 0.24 4.32 2.15 -0.90 -4.95 116.67 124.96 1xut s ASP 80 Ca 0.03 -2.01 -0.08 0.00 0.43 0.00 0.00 52.55 50.92 1xut s ASP 80 Cb -0.15 -2.14 0.39 0.00 -0.30 0.00 0.00 42.92 40.72 1xut s ASP 80 CO -0.08 -0.75 1.64 1.12 -0.17 0.00 0.00 175.17 176.93 1xut h HIS 81 N 8.52 -0.09 -0.40 -5.34 2.07 -1.95 0.92 115.15 118.88 1xut h HIS 81 Ca -0.20 0.05 0.12 0.00 -2.85 0.00 0.00 60.37 57.49 1xut h HIS 81 Cb 1.08 0.15 -0.02 0.00 2.57 0.00 0.00 27.41 31.19 1xut h HIS 81 CO 0.75 -0.23 0.47 1.37 -3.07 0.00 0.00 177.93 177.22 1xut h LEU 82 N 0.09 0.00 0.00 6.12 -0.00 -1.96 0.17 115.31 119.73 1xut h LEU 82 Ca 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.22 1xut h LEU 82 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 1xut h LEU 82 CO -0.64 0.00 -1.82 0.18 -0.00 0.00 0.00 178.44 176.15 1xut n LEU 83 N -3.62 0.00 -0.78 0.17 4.77 0.21 -4.98 117.00 112.76 1xut n LEU 83 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1xut n LEU 83 Cb 0.64 0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.74 1xut n LEU 83 CO 0.26 0.06 -0.10 -2.11 -1.33 0.00 0.00 177.39 174.17 1xut n ARG 84 N -2.16 -1.33 -4.41 3.23 0.00 0.26 -4.96 116.66 107.29 1xut n ARG 84 Ca -0.06 0.82 -0.27 0.00 -0.00 0.00 0.00 57.85 58.34 1xut n ARG 84 Cb 0.53 -5.02 -0.07 0.00 -0.00 0.00 0.00 32.46 27.89 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 -0.74 1.96 -4.28 2.89 9.92 -1.23 -3.87 116.55 121.20 1xut n ASP 85 Ca -0.10 -3.11 -0.43 0.00 -0.53 0.00 0.00 54.79 50.62 1xut n ASP 85 Cb 0.49 0.77 -0.08 0.00 -0.64 0.00 0.00 41.12 41.66 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 1.48 5.15 0.69 0.00 1.09 -0.23 -4.84 121.20 124.55 1xut s ILE 87 Ca 0.04 -0.55 -0.09 0.00 -1.10 0.00 0.00 60.65 58.94 1xut s ILE 87 Cb -0.26 -3.84 0.03 0.00 -1.06 0.00 0.00 42.46 37.32 1xut s ILE 87 CO 0.02 -0.45 1.04 -0.94 -0.10 0.00 0.00 174.94 174.51 1xut s SER 88 N -3.89 5.30 -0.22 3.58 1.04 -1.26 0.82 113.70 119.07 1xut s SER 88 Ca 0.39 0.90 0.05 0.00 0.48 0.00 0.00 55.95 57.76 1xut s SER 88 Cb -0.10 -1.70 -0.16 0.00 0.10 0.00 0.00 66.02 64.16 1xut s SER 88 CO 0.33 -1.36 -0.14 0.00 0.98 0.00 0.00 173.24 173.05 1xut h ALA 90 N 0.19 1.18 0.00 0.00 0.00 -1.95 0.21 119.26 118.90 1xut h ALA 90 Ca -0.50 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xut h ALA 90 Cb 1.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1xut h ALA 90 CO -0.06 0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.89 1xut h SER 91 N 0.73 0.00 -0.05 0.00 4.64 -1.95 -2.24 113.55 114.68 1xut h SER 91 Ca 0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1xut h SER 91 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1xut h SER 91 CO -0.28 0.00 -0.20 2.30 -0.87 0.00 0.00 176.83 177.78 1xut n ILE 92 N -2.42 2.10 -1.76 0.95 -5.35 0.66 -5.04 119.36 108.51 1xut n ILE 92 Ca 0.00 -2.66 -0.42 0.00 -0.27 0.00 0.00 62.75 59.40 1xut n ILE 92 Cb 0.15 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 37.77 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 4.38 2.64 2.50 0.00 0.00 -1.26 -4.88 105.19 108.57 1xut n GLY 94 Ca 0.19 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 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 1.91 -4.26 1.61 6.02 -0.80 -5.08 117.38 116.77 1xut n GLN 95 Ca 0.00 -3.97 -0.17 0.00 -0.01 0.00 0.00 57.00 52.85 1xut n GLN 95 Cb 0.00 -1.90 -0.11 0.00 1.02 0.00 0.00 30.24 29.25 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 -2.89 1.41 1.01 1.08 -3.43 -1.06 -4.92 115.29 106.49 1xut s HIS 96 Ca 0.43 -0.61 -0.17 0.00 -0.80 0.00 0.00 55.06 53.91 1xut s HIS 96 Cb 0.33 -0.72 0.26 0.00 -1.43 0.00 0.00 32.58 31.03 1xut s HIS 96 CO -0.10 0.16 0.63 -0.35 -2.00 0.00 0.00 174.74 173.08 1xut n PRO 97 N 0.17 -3.85 -0.15 -0.38 -0.04 -1.26 -4.85 135.00 124.65 1xut n PRO 97 Ca -0.13 -1.05 -0.08 0.00 -0.04 0.00 0.00 63.50 62.21 1xut n PRO 97 Cb 0.59 -1.30 0.08 0.00 -0.04 0.00 0.00 33.50 32.82 1xut n PRO 97 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xut h LYS 98 N 0.00 0.91 -0.95 0.54 3.11 -2.01 -2.88 116.57 115.29 1xut h LYS 98 Ca -0.28 -0.31 0.21 0.00 -2.81 0.00 0.00 60.65 57.46 1xut h LYS 98 Cb 0.92 -0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 32.00 1xut h LYS 98 CO 0.17 0.96 0.62 -0.56 -2.81 0.00 0.00 179.45 177.82 1xut h GLN 99 N 0.82 0.47 -0.56 1.90 3.07 -2.00 0.81 115.11 119.63 1xut h GLN 99 Ca 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.85 1xut h GLN 99 Cb 0.61 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.06 1xut h GLN 99 CO 0.04 0.31 0.00 0.00 0.09 0.00 0.00 178.83 179.27 1xut h ALA 101 N 3.60 1.00 0.00 0.00 0.00 0.67 -2.48 119.26 122.05 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 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xut h ALA 101 CO 0.11 0.00 0.00 2.48 0.00 0.00 0.00 179.25 181.84 1xut n TYR 102 N -2.47 0.00 -0.01 0.00 0.18 -1.26 -3.39 117.16 110.21 1xut n TYR 102 Ca 0.01 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.78 1xut n TYR 102 Cb 0.23 -0.04 -0.00 0.00 -0.38 0.00 0.00 39.34 39.15 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 -1.04 0.00 -3.52 -3.48 -0.00 -0.93 -4.55 117.46 103.93 1xut n PHE 103 Ca 0.23 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.41 1xut n PHE 103 Cb 0.13 -0.06 -0.09 0.00 -0.00 0.00 0.00 39.48 39.45 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 1.68 0.28 -0.27 0.00 -0.58 -1.22 -4.19 120.64 116.34 1xut n GLU 105 Ca 0.25 -0.70 0.32 0.00 -0.42 0.00 0.00 57.16 56.61 1xut n GLU 105 Cb 0.43 0.79 0.73 0.00 -0.57 0.00 0.00 31.44 32.81 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 0.57 0.03 0.00 1.62 7.08 -1.96 -3.01 115.58 119.90 1xut h ASN 106 Ca -0.09 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.14 1xut h ASN 106 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.59 1xut h ASN 106 CO 0.12 0.01 0.00 0.29 -2.08 0.00 0.00 177.43 175.76 1xut n LYS 107 N -4.24 0.00 -2.28 4.14 4.76 -1.26 -4.83 118.16 114.45 1xut n LYS 107 Ca 0.23 0.04 -0.27 0.00 -2.87 0.00 0.00 58.31 55.44 1xut n LYS 107 Cb 1.11 -1.02 0.04 0.00 -1.84 0.00 0.00 35.03 33.32 1xut n LYS 107 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xut s LEU 108 N -1.24 3.12 0.00 -0.35 2.01 -1.14 -5.10 118.68 115.99 1xut s LEU 108 Ca 0.00 0.75 0.14 0.00 0.01 0.00 0.00 54.13 55.03 1xut s LEU 108 Cb 0.00 -3.54 0.85 0.00 0.01 0.00 0.00 46.19 43.50 1xut s LEU 108 CO 0.00 -1.19 1.27 0.54 1.01 0.00 0.00 176.35 177.98