#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 5.10 -0.04 1.61 0.01 -1.26 -4.92 113.70 114.19 1xut s SER 65 Ca 0.00 -3.66 -0.24 0.00 1.31 0.00 0.00 55.95 53.36 1xut s SER 65 Cb 0.00 -1.72 -0.23 0.00 0.21 0.00 0.00 66.02 64.28 1xut s SER 65 CO 0.00 -0.14 1.05 1.55 0.41 0.00 0.00 173.24 176.11 1xut h PRO 66 N 5.78 0.19 0.00 12.44 0.13 -2.00 -3.45 132.00 145.09 1xut h PRO 66 Ca 0.11 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1xut h PRO 66 Cb 0.80 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1xut h PRO 66 CO 0.75 0.90 -0.40 0.91 -0.23 0.00 0.00 178.00 179.93 1xut n TRP 67 N -4.51 0.00 -0.69 1.56 8.01 -1.26 -5.10 117.44 115.45 1xut n TRP 67 Ca -0.10 0.00 -0.32 0.00 -1.31 0.00 0.00 57.50 55.78 1xut n TRP 67 Cb 0.49 0.23 0.16 0.00 -2.01 0.00 0.00 31.31 30.19 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 -2.51 -1.72 -0.08 -0.99 2.88 -1.26 -4.99 113.62 104.94 1xut n SER 68 Ca 0.00 0.15 -0.11 0.00 -1.33 0.00 0.00 58.87 57.57 1xut n SER 68 Cb 0.20 -1.19 -0.05 0.00 -0.75 0.00 0.00 64.21 62.42 1xut n SER 68 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1xut n LEU 69 N -2.43 1.83 -3.61 2.46 -0.00 -1.26 -4.89 117.00 109.11 1xut n LEU 69 Ca 0.05 0.55 -0.11 0.00 -0.00 0.00 0.00 56.01 56.51 1xut n LEU 69 Cb 0.56 -0.90 -0.04 0.00 -0.00 0.00 0.00 43.42 43.04 1xut n LEU 69 CO 0.52 -0.18 0.24 -0.44 -0.00 0.00 0.00 177.39 177.52 1xut s SER 70 N -6.17 -0.32 0.23 1.96 0.01 -1.26 -5.02 113.70 103.13 1xut s SER 70 Ca -0.21 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 56.77 1xut s SER 70 Cb 0.04 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1xut s SER 70 CO 0.36 -0.92 0.32 0.00 0.41 0.00 0.00 173.24 173.41 1xut n ARG 72 N -0.39 -0.37 0.00 0.00 5.12 -1.26 -4.92 116.66 114.85 1xut n ARG 72 Ca 0.01 -0.04 0.13 0.00 -1.93 0.00 0.00 57.85 56.02 1xut n ARG 72 Cb 0.39 -2.35 0.44 0.00 -1.16 0.00 0.00 32.46 29.78 1xut n ARG 72 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1xut n LYS 73 N -3.94 0.34 -1.68 5.56 4.81 -1.26 -4.90 118.16 117.09 1xut n LYS 73 Ca 0.12 -0.15 -0.47 0.00 -0.87 0.00 0.00 58.31 56.94 1xut n LYS 73 Cb 0.52 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.03 1xut n LYS 73 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xut n GLU 74 N -1.20 2.27 0.00 1.64 -0.58 -1.26 -4.84 120.64 116.67 1xut n GLU 74 Ca 0.09 0.83 0.10 0.00 -0.42 0.00 0.00 57.16 57.77 1xut n GLU 74 Cb 0.32 -2.66 0.47 0.00 -0.57 0.00 0.00 31.44 29.00 1xut n GLU 74 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1xut n GLN 75 N 5.61 0.04 -0.20 3.49 7.27 -1.26 -2.88 117.38 129.45 1xut n GLN 75 Ca 0.20 0.12 0.05 0.00 0.07 0.00 0.00 57.00 57.44 1xut n GLN 75 Cb 0.31 -1.50 0.15 0.00 2.41 0.00 0.00 30.24 31.60 1xut n GLN 75 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xut n GLY 76 N 0.70 0.80 3.64 1.69 0.00 -1.26 -4.86 105.19 105.90 1xut n GLY 76 Ca 0.06 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.61 2.58 0.46 1.61 1.02 -1.14 -2.67 119.74 119.99 1xut s LYS 77 Ca 0.21 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.49 1xut s LYS 77 Cb 0.12 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1xut s LYS 77 CO 0.13 0.59 0.04 -0.59 -0.92 0.00 0.00 175.35 174.60 1xut s PHE 78 N -1.10 1.93 -0.29 3.18 -0.71 0.24 -4.96 117.98 116.27 1xut s PHE 78 Ca 0.20 -1.01 0.00 0.00 -1.04 0.00 0.00 56.93 55.08 1xut s PHE 78 Cb -0.11 -1.49 0.06 0.00 -1.21 0.00 0.00 43.02 40.26 1xut s PHE 78 CO 0.11 0.11 -0.04 -0.47 -1.34 0.00 0.00 175.22 173.58 1xut s TYR 79 N -2.97 3.28 -0.37 3.49 6.14 -1.26 -0.23 117.35 125.43 1xut s TYR 79 Ca 0.16 -2.08 -0.21 0.00 0.64 0.00 0.00 57.07 55.57 1xut s TYR 79 Cb 0.03 -2.07 0.01 0.00 0.42 0.00 0.00 41.96 40.35 1xut s TYR 79 CO 0.08 -0.84 0.66 0.34 0.64 0.00 0.00 175.55 176.44 1xut s ASP 80 N 1.19 6.43 0.15 4.32 2.15 -0.88 -4.95 116.67 125.08 1xut s ASP 80 Ca -0.06 0.09 -0.17 0.00 0.43 0.00 0.00 52.55 52.84 1xut s ASP 80 Cb -0.20 -2.34 0.06 0.00 -0.30 0.00 0.00 42.92 40.14 1xut s ASP 80 CO -0.03 -0.65 1.72 1.12 -0.17 0.00 0.00 175.17 177.16 1xut h HIS 81 N 8.54 0.03 0.00 -5.34 2.07 -1.96 0.72 115.15 119.22 1xut h HIS 81 Ca -0.26 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.28 1xut h HIS 81 Cb 1.11 0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.12 1xut h HIS 81 CO 0.76 -0.03 0.12 1.37 -3.07 0.00 0.00 177.93 177.08 1xut h LEU 82 N 0.13 0.00 0.00 6.12 8.10 -1.97 -0.98 115.31 126.71 1xut h LEU 82 Ca 0.16 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.05 1xut h LEU 82 Cb 0.20 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.40 1xut h LEU 82 CO -0.24 0.00 -1.87 0.18 -4.11 0.00 0.00 178.44 172.40 1xut n LEU 83 N -2.99 0.00 -1.07 0.17 4.77 -0.15 -4.98 117.00 112.75 1xut n LEU 83 Ca -0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 1xut n LEU 83 Cb 0.18 0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1xut n LEU 83 CO 0.17 0.13 -0.13 0.54 -1.33 0.00 0.00 177.39 176.77 1xut n ARG 84 N -2.25 -1.30 -4.32 3.23 3.00 0.24 -4.95 116.66 110.31 1xut n ARG 84 Ca -0.11 0.97 -0.24 0.00 -0.01 0.00 0.00 57.85 58.47 1xut n ARG 84 Cb 0.63 -5.21 -0.07 0.00 0.00 0.00 0.00 32.46 27.81 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 -0.81 0.90 -4.35 0.55 8.00 -1.22 -4.60 116.55 115.02 1xut n ASP 85 Ca -0.14 -3.13 -0.42 0.00 0.71 0.00 0.00 54.79 51.82 1xut n ASP 85 Cb 0.54 1.12 -0.10 0.00 -0.02 0.00 0.00 41.12 42.66 1xut n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xut s ILE 87 N 1.54 5.12 0.53 0.00 1.09 0.68 -4.85 121.20 125.31 1xut s ILE 87 Ca 0.03 -0.70 0.01 0.00 -1.10 0.00 0.00 60.65 58.89 1xut s ILE 87 Cb -0.22 -3.59 0.03 0.00 -1.06 0.00 0.00 42.46 37.62 1xut s ILE 87 CO 0.05 -0.03 0.76 -0.44 -0.10 0.00 0.00 174.94 175.18 1xut s SER 88 N -2.99 5.39 -0.11 3.58 0.01 -1.26 0.83 113.70 119.15 1xut s SER 88 Ca 0.34 0.07 0.10 0.00 1.31 0.00 0.00 55.95 57.77 1xut s SER 88 Cb -0.11 -1.03 -0.14 0.00 0.21 0.00 0.00 66.02 64.94 1xut s SER 88 CO 0.27 -1.05 0.05 0.00 0.41 0.00 0.00 173.24 172.92 1xut h ALA 90 N 0.58 0.88 0.00 0.00 0.00 -1.95 -3.18 119.26 115.59 1xut h ALA 90 Ca -0.30 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1xut h ALA 90 Cb 1.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1xut h ALA 90 CO 0.02 0.00 -1.26 -1.13 0.00 0.00 0.00 179.25 176.88 1xut n SER 91 N -2.31 0.73 -1.08 0.00 3.41 -1.26 -4.10 113.62 109.01 1xut n SER 91 Ca 0.05 0.29 0.02 0.00 -0.26 0.00 0.00 58.87 58.96 1xut n SER 91 Cb 0.44 0.58 0.23 0.00 -0.26 0.00 0.00 64.21 65.21 1xut n SER 91 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1xut n ILE 92 N -2.68 2.45 -1.64 -1.33 -5.35 -1.23 -5.01 119.36 104.58 1xut n ILE 92 Ca -0.04 -2.23 -0.43 0.00 -0.27 0.00 0.00 62.75 59.79 1xut n ILE 92 Cb 0.63 -0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 38.21 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 4.97 1.23 2.29 0.00 0.00 -1.26 -4.93 105.19 107.50 1xut n GLY 94 Ca 0.24 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 0.98 -4.36 1.61 6.02 -0.73 -5.12 117.38 115.78 1xut n GLN 95 Ca 0.00 -3.11 -0.19 0.00 -0.01 0.00 0.00 57.00 53.69 1xut n GLN 95 Cb 0.00 -1.58 -0.10 0.00 1.02 0.00 0.00 30.24 29.58 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 -1.91 1.79 1.35 1.08 -3.43 -1.14 -4.96 115.29 108.08 1xut s HIS 96 Ca 0.37 -0.53 -0.20 0.00 -0.80 0.00 0.00 55.06 53.89 1xut s HIS 96 Cb 0.34 -0.83 0.33 0.00 -1.43 0.00 0.00 32.58 30.99 1xut s HIS 96 CO -0.08 0.40 0.82 -0.35 -2.00 0.00 0.00 174.74 173.54 1xut n PRO 97 N -0.37 -3.92 0.27 -0.38 -0.04 -1.26 -4.82 135.00 124.48 1xut n PRO 97 Ca -0.08 -1.15 0.14 0.00 -0.04 0.00 0.00 63.50 62.37 1xut n PRO 97 Cb 0.60 -1.94 0.77 0.00 -0.04 0.00 0.00 33.50 32.89 1xut n PRO 97 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1xut h LYS 98 N -3.27 0.00 -0.47 0.54 2.10 -2.01 -2.47 116.57 111.00 1xut h LYS 98 Ca -0.46 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.15 1xut h LYS 98 Cb 1.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.59 1xut h LYS 98 CO 0.31 0.10 0.10 0.37 -2.00 0.00 0.00 179.45 178.33 1xut h GLN 99 N 0.00 0.71 -0.84 0.07 5.75 -2.05 -2.14 115.11 116.62 1xut h GLN 99 Ca -0.00 -0.14 -0.19 0.00 -0.15 0.00 0.00 58.65 58.17 1xut h GLN 99 Cb 0.30 -0.11 -0.11 0.00 1.07 0.00 0.00 27.48 28.63 1xut h GLN 99 CO 0.01 0.66 0.24 0.00 -2.65 0.00 0.00 178.83 177.10 1xut h ALA 101 N 2.42 0.63 0.00 0.00 0.00 -1.43 -3.16 119.26 117.72 1xut h ALA 101 Ca 0.24 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xut h ALA 101 Cb 2.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1xut h ALA 101 CO 0.60 0.84 0.00 2.48 0.00 0.00 0.00 179.25 183.17 1xut n TYR 102 N -3.36 0.82 -0.00 0.00 0.18 -1.26 -3.03 117.16 110.51 1xut n TYR 102 Ca 0.01 0.36 -0.00 0.00 1.88 0.00 0.00 57.90 60.15 1xut n TYR 102 Cb 0.77 -1.08 -0.00 0.00 -0.38 0.00 0.00 39.34 38.64 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 -2.28 0.01 -3.70 -3.48 -0.00 -1.19 -4.44 117.46 102.38 1xut n PHE 103 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.17 1xut n PHE 103 Cb 0.15 -0.24 -0.13 0.00 -0.00 0.00 0.00 39.48 39.26 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 3.32 0.23 -0.15 0.00 1.02 -0.97 -4.23 120.64 119.86 1xut n GLU 105 Ca 0.12 -0.50 0.25 0.00 -0.02 0.00 0.00 57.16 57.01 1xut n GLU 105 Cb 0.36 0.66 0.68 0.00 -0.02 0.00 0.00 31.44 33.12 1xut n GLU 105 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1xut h ASN 106 N 0.59 0.07 0.45 1.62 7.08 -1.99 -1.84 115.58 121.56 1xut h ASN 106 Ca -0.09 0.01 -0.02 0.00 -3.08 0.00 0.00 56.30 53.12 1xut h ASN 106 Cb 0.36 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.60 1xut h ASN 106 CO 0.11 0.03 -0.22 0.11 -2.08 0.00 0.00 177.43 175.38 1xut h LYS 107 N 0.07 -0.58 -4.55 4.14 1.57 -1.95 -3.41 116.57 111.85 1xut h LYS 107 Ca 0.40 0.04 -0.65 0.00 -1.87 0.00 0.00 60.65 58.57 1xut h LYS 107 Cb 1.48 0.13 -0.39 0.00 0.08 0.00 0.00 32.23 33.53 1xut h LYS 107 CO -0.03 -0.28 -0.75 -0.51 -0.57 0.00 0.00 179.45 177.31 1xut s LEU 108 N -9.45 3.94 0.00 2.94 2.01 -0.70 -5.04 118.68 112.38 1xut s LEU 108 Ca -0.13 -1.83 0.25 0.00 0.01 0.00 0.00 54.13 52.43 1xut s LEU 108 Cb 0.02 -1.47 0.50 0.00 0.01 0.00 0.00 46.19 45.25 1xut s LEU 108 CO 0.46 -0.33 1.44 0.54 1.01 0.00 0.00 176.35 179.47