#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 4.62 0.00 1.61 1.04 -1.26 -5.06 113.70 114.65 1xut s SER 65 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1xut s SER 65 Cb 0.00 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1xut s SER 65 CO 0.00 0.12 0.77 -0.81 0.98 0.00 0.00 173.24 174.30 1xut n PRO 66 N 3.86 0.00 -3.59 4.02 -0.04 -1.26 -4.33 135.00 133.66 1xut n PRO 66 Ca -0.18 0.28 -0.38 0.00 -0.04 0.00 0.00 63.50 63.19 1xut n PRO 66 Cb 0.52 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 1xut n PRO 66 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xut s TRP 67 N -2.09 3.80 -0.29 0.54 0.51 -1.26 -4.99 118.94 115.15 1xut s TRP 67 Ca 0.00 -2.80 -0.22 0.00 -2.12 0.00 0.00 56.10 50.96 1xut s TRP 67 Cb 0.00 -3.36 0.14 0.00 -0.81 0.00 0.00 33.47 29.43 1xut s TRP 67 CO 0.00 -0.82 1.07 0.45 -0.51 0.00 0.00 176.95 177.14 1xut s SER 68 N 0.48 -0.42 -0.17 2.95 0.15 -1.26 -4.74 113.70 110.69 1xut s SER 68 Ca 0.24 0.76 -0.13 0.00 0.70 0.00 0.00 55.95 57.51 1xut s SER 68 Cb -0.11 0.88 -0.07 0.00 -1.71 0.00 0.00 66.02 65.01 1xut s SER 68 CO -0.09 -0.13 -0.29 0.18 1.20 0.00 0.00 173.24 174.11 1xut n LEU 69 N 2.55 1.72 -3.04 3.45 4.77 -1.26 -4.90 117.00 120.30 1xut n LEU 69 Ca -0.14 0.29 0.05 0.00 -0.03 0.00 0.00 56.01 56.18 1xut n LEU 69 Cb 0.56 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1xut n LEU 69 CO 0.02 -0.00 0.59 -0.44 -1.33 0.00 0.00 177.39 176.23 1xut s SER 70 N -6.41 -0.15 -0.31 -1.43 0.01 -1.26 -5.14 113.70 99.01 1xut s SER 70 Ca -0.27 -0.00 -0.08 0.00 1.31 0.00 0.00 55.95 56.90 1xut s SER 70 Cb 0.07 0.88 0.00 0.00 0.21 0.00 0.00 66.02 67.18 1xut s SER 70 CO 0.38 -0.02 0.12 0.00 0.41 0.00 0.00 173.24 174.13 1xut s ARG 72 N 1.55 1.84 -0.18 0.00 3.00 -1.26 -4.94 118.95 118.97 1xut s ARG 72 Ca 0.03 -2.23 -0.14 0.00 0.00 0.00 0.00 55.73 53.39 1xut s ARG 72 Cb -0.17 -3.35 -0.07 0.00 0.00 0.00 0.00 34.95 31.36 1xut s ARG 72 CO 0.05 -1.04 -0.21 1.63 0.00 0.00 0.00 175.30 175.72 1xut n LYS 73 N 3.77 0.51 -0.55 3.54 4.76 -1.26 -5.10 118.16 123.82 1xut n LYS 73 Ca 0.04 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 1xut n LYS 73 Cb 0.38 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1xut n LYS 73 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1xut n GLU 74 N -4.50 0.00 0.12 1.97 2.13 -1.26 -5.06 120.64 114.04 1xut n GLU 74 Ca -0.17 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.41 1xut n GLU 74 Cb 0.47 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 32.02 1xut n GLU 74 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1xut h GLN 75 N 0.00 0.48 -3.40 5.31 4.20 -2.03 -3.38 115.11 116.29 1xut h GLN 75 Ca 0.00 -0.82 -0.79 0.00 0.06 0.00 0.00 58.65 57.10 1xut h GLN 75 Cb 0.00 0.30 -0.24 0.00 0.30 0.00 0.00 27.48 27.84 1xut h GLN 75 CO 0.00 1.39 1.02 0.41 -0.67 0.00 0.00 178.83 180.98 1xut n GLY 76 N 1.71 4.66 3.14 3.46 0.00 -1.26 -4.97 105.19 111.93 1xut n GLY 76 Ca -0.16 -2.46 -0.09 0.00 0.00 0.00 0.00 46.02 43.30 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 -1.30 0.89 0.31 1.61 -0.14 -1.26 -2.68 119.74 117.16 1xut s LYS 77 Ca 0.34 -1.41 -0.08 0.00 -1.36 0.00 0.00 55.97 53.45 1xut s LYS 77 Cb 0.01 0.24 0.01 0.00 -1.68 0.00 0.00 37.83 36.41 1xut s LYS 77 CO 0.03 -0.24 0.51 -0.59 -0.76 0.00 0.00 175.35 174.30 1xut s PHE 78 N -4.03 0.65 -0.05 3.18 -0.71 0.17 -4.84 117.98 112.35 1xut s PHE 78 Ca 0.22 -1.00 0.05 0.00 -1.04 0.00 0.00 56.93 55.17 1xut s PHE 78 Cb 0.08 0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 42.01 1xut s PHE 78 CO 0.00 -1.13 -0.20 -0.47 -1.34 0.00 0.00 175.22 172.08 1xut s TYR 79 N -3.36 2.54 -0.13 3.49 6.14 -1.26 0.08 117.35 124.85 1xut s TYR 79 Ca 0.25 -0.42 -0.01 0.00 0.64 0.00 0.00 57.07 57.53 1xut s TYR 79 Cb -0.01 -1.61 -0.02 0.00 0.42 0.00 0.00 41.96 40.74 1xut s TYR 79 CO 0.14 -0.02 -0.11 0.34 0.64 0.00 0.00 175.55 176.55 1xut s ASP 80 N -0.45 4.23 -0.01 4.32 2.15 -0.57 -4.90 116.67 121.44 1xut s ASP 80 Ca 0.05 -0.26 -0.22 0.00 0.43 0.00 0.00 52.55 52.55 1xut s ASP 80 Cb -0.12 -1.61 -0.12 0.00 -0.30 0.00 0.00 42.92 40.78 1xut s ASP 80 CO 0.01 0.18 0.90 -0.74 -0.17 0.00 0.00 175.17 175.35 1xut h HIS 81 N 6.59 -0.71 -1.01 -5.34 -0.00 -1.95 0.84 115.15 113.57 1xut h HIS 81 Ca -0.29 -0.02 0.29 0.00 -0.00 0.00 0.00 60.37 60.36 1xut h HIS 81 Cb 1.20 0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 28.81 1xut h HIS 81 CO 0.51 -0.44 0.81 1.37 -0.00 0.00 0.00 177.93 180.19 1xut h LEU 82 N -1.20 0.00 0.00 0.26 -0.00 -1.98 0.47 115.31 112.86 1xut h LEU 82 Ca -0.08 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.56 1xut h LEU 82 Cb 0.59 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.21 1xut h LEU 82 CO 0.13 0.00 -2.00 0.18 -0.00 0.00 0.00 178.44 176.75 1xut n LEU 83 N -3.96 0.32 -0.97 0.17 4.77 -1.19 -4.97 117.00 111.17 1xut n LEU 83 Ca 0.21 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 1xut n LEU 83 Cb 1.15 0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 42.45 1xut n LEU 83 CO 0.36 0.31 -0.12 0.54 -1.33 0.00 0.00 177.39 177.14 1xut n ARG 84 N -2.73 -1.23 -4.40 3.23 1.74 0.29 -4.96 116.66 108.60 1xut n ARG 84 Ca -0.20 0.92 -0.27 0.00 -0.77 0.00 0.00 57.85 57.53 1xut n ARG 84 Cb 0.96 -5.11 -0.06 0.00 -1.02 0.00 0.00 32.46 27.22 1xut n ARG 84 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1xut n ASP 85 N -0.67 2.36 -4.25 0.55 9.92 -1.12 -4.79 116.55 118.54 1xut n ASP 85 Ca -0.13 -3.07 -0.42 0.00 -0.53 0.00 0.00 54.79 50.64 1xut n ASP 85 Cb 0.50 0.62 -0.08 0.00 -0.64 0.00 0.00 41.12 41.53 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 1.45 5.11 0.35 0.00 1.09 0.11 -4.88 121.20 124.42 1xut s ILE 87 Ca 0.05 -0.43 0.01 0.00 -1.10 0.00 0.00 60.65 59.18 1xut s ILE 87 Cb -0.27 -3.85 -0.03 0.00 -1.06 0.00 0.00 42.46 37.26 1xut s ILE 87 CO 0.01 -0.52 0.54 -0.44 -0.10 0.00 0.00 174.94 174.43 1xut s SER 88 N -3.93 6.23 0.00 3.58 0.01 -1.26 0.44 113.70 118.77 1xut s SER 88 Ca 0.40 0.37 0.11 0.00 1.31 0.00 0.00 55.95 58.15 1xut s SER 88 Cb -0.10 -1.93 0.14 0.00 0.21 0.00 0.00 66.02 64.34 1xut s SER 88 CO 0.35 -0.32 0.94 0.00 0.41 0.00 0.00 173.24 174.62 1xut n ALA 90 N 0.61 1.48 0.67 0.00 0.00 -1.26 -4.31 120.51 117.70 1xut n ALA 90 Ca 0.08 -1.25 0.12 0.00 0.00 0.00 0.00 53.44 52.40 1xut n ALA 90 Cb 0.31 -0.23 0.28 0.00 0.00 0.00 0.00 19.45 19.81 1xut n ALA 90 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xut n SER 91 N -2.87 0.66 -1.84 0.00 3.41 -1.26 -3.71 113.62 108.00 1xut n SER 91 Ca -0.34 0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.41 1xut n SER 91 Cb 1.12 -0.14 0.21 0.00 -0.26 0.00 0.00 64.21 65.14 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 -2.04 2.55 -1.77 -1.33 -5.35 -1.26 -4.97 119.36 105.19 1xut n ILE 92 Ca 0.04 -1.37 -0.42 0.00 -0.27 0.00 0.00 62.75 60.73 1xut n ILE 92 Cb 0.42 -0.48 -0.03 0.00 -1.74 0.00 0.00 39.64 37.81 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 3.35 3.14 2.75 0.00 0.00 -1.26 -4.80 105.19 108.38 1xut n GLY 94 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.86 1.90 -3.98 1.61 1.13 -0.70 -5.10 117.38 111.38 1xut n GLN 95 Ca 0.00 -3.57 -0.23 0.00 -1.94 0.00 0.00 57.00 51.26 1xut n GLN 95 Cb 0.00 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 28.66 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 -3.76 3.42 1.29 1.08 -3.43 -0.71 -4.98 115.29 108.19 1xut s HIS 96 Ca 0.29 0.03 -0.20 0.00 -0.80 0.00 0.00 55.06 54.39 1xut s HIS 96 Cb 0.33 -1.59 0.32 0.00 -1.43 0.00 0.00 32.58 30.21 1xut s HIS 96 CO -0.03 0.48 1.02 -1.25 -2.00 0.00 0.00 174.74 172.96 1xut s PRO 97 N -3.63 -1.87 0.30 -0.38 0.04 -1.26 -4.84 135.00 123.37 1xut s PRO 97 Ca 0.34 0.14 0.07 0.00 0.04 0.00 0.00 61.00 61.60 1xut s PRO 97 Cb -0.10 -1.50 0.48 0.00 0.04 0.00 0.00 34.50 33.42 1xut s PRO 97 CO 0.28 -4.18 1.71 -0.22 0.04 0.00 0.00 177.00 174.63 1xut h LYS 98 N -2.92 0.20 -0.82 4.56 3.64 -1.99 -2.85 116.57 116.38 1xut h LYS 98 Ca -0.47 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1xut h LYS 98 Cb 1.32 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 1xut h LYS 98 CO 0.35 0.59 0.53 -0.56 -2.27 0.00 0.00 179.45 178.08 1xut h GLN 99 N 0.16 0.99 -0.87 1.90 3.07 -2.06 -1.74 115.11 116.57 1xut h GLN 99 Ca 0.01 -0.06 -0.39 0.00 0.09 0.00 0.00 58.65 58.31 1xut h GLN 99 Cb 0.82 -0.22 -0.23 0.00 0.08 0.00 0.00 27.48 27.92 1xut h GLN 99 CO 0.06 0.66 0.48 0.00 0.09 0.00 0.00 178.83 180.11 1xut h ALA 101 N 1.65 1.00 0.00 0.00 0.00 -1.08 -2.39 119.26 118.44 1xut h ALA 101 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1xut h ALA 101 Cb 2.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.41 1xut h ALA 101 CO 0.93 0.00 0.00 2.48 0.00 0.00 0.00 179.25 182.66 1xut n TYR 102 N -2.42 0.00 -0.08 0.00 0.18 -1.26 -1.48 117.16 112.09 1xut n TYR 102 Ca 0.01 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.70 1xut n TYR 102 Cb 0.23 -0.02 -0.04 0.00 -0.38 0.00 0.00 39.34 39.13 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 -1.02 0.63 -2.74 -3.48 -0.00 -0.90 -4.10 117.46 105.86 1xut n PHE 103 Ca 0.20 0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.92 1xut n PHE 103 Cb 0.10 -0.76 0.04 0.00 -0.00 0.00 0.00 39.48 38.87 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 -0.40 1.64 -0.47 0.00 2.13 -0.55 -4.28 120.64 118.71 1xut n GLU 105 Ca 0.08 -0.81 0.40 0.00 0.66 0.00 0.00 57.16 57.49 1xut n GLU 105 Cb 0.87 0.19 0.68 0.00 0.27 0.00 0.00 31.44 33.45 1xut n GLU 105 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1xut h ASN 106 N 0.25 0.21 -1.47 4.31 7.08 -2.00 -3.40 115.58 120.55 1xut h ASN 106 Ca -0.09 0.15 -0.51 0.00 -3.08 0.00 0.00 56.30 52.77 1xut h ASN 106 Cb 0.28 0.15 -0.04 0.00 -2.08 0.00 0.00 38.32 36.64 1xut h ASN 106 CO 0.15 -0.25 -0.39 -0.54 -2.08 0.00 0.00 177.43 174.32 1xut s LYS 107 N -5.27 2.46 0.00 4.14 -0.14 -1.26 -4.99 119.74 114.67 1xut s LYS 107 Ca -0.07 -1.62 0.00 0.00 -1.36 0.00 0.00 55.97 52.91 1xut s LYS 107 Cb 0.31 -2.29 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 1xut s LYS 107 CO 0.83 -0.21 0.00 1.47 -0.76 0.00 0.00 175.35 176.68 1xut n LEU 108 N -1.51 0.00 -0.31 3.17 -0.00 -1.26 -4.35 117.00 112.74 1xut n LEU 108 Ca 0.03 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.07 1xut n LEU 108 Cb 0.62 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 44.08 1xut n LEU 108 CO 0.43 0.00 0.37 -1.14 -0.00 0.00 0.00 177.39 177.05