#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 5.74 0.02 1.61 1.04 -1.26 -5.00 113.70 115.85 1xut s SER 65 Ca 0.00 -1.61 -0.10 0.00 0.48 0.00 0.00 55.95 54.71 1xut s SER 65 Cb 0.00 -2.03 -0.06 0.00 0.10 0.00 0.00 66.02 64.03 1xut s SER 65 CO 0.00 -0.61 1.16 1.55 0.98 0.00 0.00 173.24 176.31 1xut h PRO 66 N 8.48 -0.36 -6.18 4.02 0.13 -2.02 -3.46 132.00 132.62 1xut h PRO 66 Ca -0.23 0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.43 1xut h PRO 66 Cb 1.08 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1xut h PRO 66 CO 0.82 -0.24 -0.40 -1.58 -0.23 0.00 0.00 178.00 176.37 1xut s TRP 67 N -3.82 2.77 -0.31 1.56 0.51 -1.26 -5.06 118.94 113.33 1xut s TRP 67 Ca -0.05 -0.43 0.02 0.00 -2.12 0.00 0.00 56.10 53.51 1xut s TRP 67 Cb 0.01 -2.05 0.06 0.00 -0.81 0.00 0.00 33.47 30.68 1xut s TRP 67 CO 0.16 -0.02 1.05 0.45 -0.51 0.00 0.00 176.95 178.08 1xut n SER 68 N -1.49 -1.14 -0.04 2.95 2.88 -1.26 -4.59 113.62 110.94 1xut n SER 68 Ca 0.02 -1.65 -0.01 0.00 -1.33 0.00 0.00 58.87 55.89 1xut n SER 68 Cb 0.61 0.99 -0.14 0.00 -0.75 0.00 0.00 64.21 64.92 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 -0.51 0.24 -2.57 2.46 4.32 -1.26 -4.43 117.00 115.25 1xut n LEU 69 Ca -0.27 0.11 -0.27 0.00 -0.02 0.00 0.00 56.01 55.56 1xut n LEU 69 Cb 0.65 0.24 -0.07 0.00 -1.62 0.00 0.00 43.42 42.62 1xut n LEU 69 CO -0.11 0.26 1.74 -1.20 -1.22 0.00 0.00 177.39 176.86 1xut n SER 70 N -2.65 6.55 -2.09 -1.43 7.64 -1.26 -4.86 113.62 115.52 1xut n SER 70 Ca -0.18 -3.07 -0.04 0.00 1.01 0.00 0.00 58.87 56.59 1xut n SER 70 Cb 0.90 -1.29 0.01 0.00 -1.01 0.00 0.00 64.21 62.83 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 -2.04 2.25 0.39 0.00 3.00 -1.26 -5.00 118.95 116.29 1xut s ARG 72 Ca 0.10 -2.04 0.27 0.00 0.00 0.00 0.00 55.73 54.06 1xut s ARG 72 Cb -0.02 -1.98 1.39 0.00 0.00 0.00 0.00 34.95 34.34 1xut s ARG 72 CO 0.05 -0.45 1.81 -0.22 0.00 0.00 0.00 175.30 176.49 1xut h LYS 73 N 1.00 0.00 -6.20 3.54 3.64 -2.01 -3.45 116.57 113.10 1xut h LYS 73 Ca -0.39 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.34 1xut h LYS 73 Cb 1.29 0.00 0.11 0.00 -0.41 0.00 0.00 32.23 33.23 1xut h LYS 73 CO 0.63 0.00 -0.26 0.39 -2.27 0.00 0.00 179.45 177.93 1xut n GLU 74 N -2.44 0.56 0.06 1.90 1.02 -1.26 -4.88 120.64 115.60 1xut n GLU 74 Ca -0.01 0.20 -0.08 0.00 -0.02 0.00 0.00 57.16 57.24 1xut n GLU 74 Cb 0.08 -1.35 -0.12 0.00 -0.02 0.00 0.00 31.44 30.02 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 1.39 0.04 -3.23 3.49 4.15 -2.06 -3.37 115.11 115.51 1xut h GLN 75 Ca -0.33 -0.07 -0.55 0.00 0.77 0.00 0.00 58.65 58.46 1xut h GLN 75 Cb 1.40 0.03 0.02 0.00 0.21 0.00 0.00 27.48 29.14 1xut h GLN 75 CO 0.58 1.02 3.32 0.41 -1.93 0.00 0.00 178.83 182.23 1xut n GLY 76 N 1.38 3.77 3.36 2.39 0.00 -1.26 -4.80 105.19 110.03 1xut n GLY 76 Ca -0.02 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 2.75 1.14 0.26 1.61 -0.14 -1.26 -2.68 119.74 121.41 1xut s LYS 77 Ca 0.57 -0.91 -0.21 0.00 -1.36 0.00 0.00 55.97 54.06 1xut s LYS 77 Cb 0.15 0.44 0.03 0.00 -1.68 0.00 0.00 37.83 36.76 1xut s LYS 77 CO -0.05 -0.44 0.68 -0.59 -0.76 0.00 0.00 175.35 174.19 1xut s PHE 78 N -3.87 -0.21 -0.14 3.18 -0.71 -0.27 -4.89 117.98 111.07 1xut s PHE 78 Ca 0.08 -0.20 0.01 0.00 -1.04 0.00 0.00 56.93 55.78 1xut s PHE 78 Cb 0.02 0.64 -0.00 0.00 -1.21 0.00 0.00 43.02 42.47 1xut s PHE 78 CO -0.06 -1.15 -0.17 -0.47 -1.34 0.00 0.00 175.22 172.03 1xut s TYR 79 N -3.90 2.74 -0.28 3.49 6.14 -1.26 -1.08 117.35 123.20 1xut s TYR 79 Ca 0.10 -1.02 -0.14 0.00 0.64 0.00 0.00 57.07 56.65 1xut s TYR 79 Cb -0.05 -1.84 -0.04 0.00 0.42 0.00 0.00 41.96 40.45 1xut s TYR 79 CO 0.04 -0.44 0.35 0.34 0.64 0.00 0.00 175.55 176.47 1xut s ASP 80 N 0.67 6.22 0.02 4.32 -1.08 -0.47 -4.86 116.67 121.48 1xut s ASP 80 Ca -0.09 0.21 -0.24 0.00 -0.52 0.00 0.00 52.55 51.92 1xut s ASP 80 Cb -0.16 -2.20 -0.17 0.00 -1.46 0.00 0.00 42.92 38.93 1xut s ASP 80 CO 0.02 -0.18 1.39 1.12 0.52 0.00 0.00 175.17 178.04 1xut h HIS 81 N 8.22 0.10 0.00 -5.34 2.07 -1.96 0.47 115.15 118.71 1xut h HIS 81 Ca -0.32 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1xut h HIS 81 Cb 1.16 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.12 1xut h HIS 81 CO 0.75 0.44 0.00 1.37 -3.07 0.00 0.00 177.93 177.42 1xut h LEU 82 N -0.27 0.00 0.00 6.12 -0.00 -1.97 -2.14 115.31 117.06 1xut h LEU 82 Ca 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.76 1xut h LEU 82 Cb 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.04 1xut h LEU 82 CO 0.00 0.00 -1.89 0.18 -0.00 0.00 0.00 178.44 176.73 1xut n LEU 83 N -2.45 0.00 -0.47 0.17 4.77 -1.10 -4.99 117.00 112.93 1xut n LEU 83 Ca -0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 1xut n LEU 83 Cb 0.10 0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1xut n LEU 83 CO 0.15 0.18 -0.06 0.54 -1.33 0.00 0.00 177.39 176.87 1xut n ARG 84 N -2.31 -1.08 -4.59 3.23 1.74 0.16 -4.98 116.66 108.84 1xut n ARG 84 Ca -0.14 0.62 -0.27 0.00 -0.77 0.00 0.00 57.85 57.29 1xut n ARG 84 Cb 0.70 -4.60 -0.10 0.00 -1.02 0.00 0.00 32.46 27.44 1xut n ARG 84 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xut s ASP 85 N -2.41 3.40 -0.57 0.55 1.11 -1.16 -4.99 116.67 112.60 1xut s ASP 85 Ca 0.00 -1.44 -0.12 0.00 0.18 0.00 0.00 52.55 51.17 1xut s ASP 85 Cb 0.00 -0.08 0.14 0.00 1.07 0.00 0.00 42.92 44.05 1xut s ASP 85 CO 0.00 -0.60 0.48 0.00 1.18 0.00 0.00 175.17 176.23 1xut s ILE 87 N 1.13 4.60 0.53 0.00 1.09 -0.24 -4.89 121.20 123.42 1xut s ILE 87 Ca 0.08 1.12 0.00 0.00 -1.10 0.00 0.00 60.65 60.75 1xut s ILE 87 Cb -0.24 -3.67 0.02 0.00 -1.06 0.00 0.00 42.46 37.51 1xut s ILE 87 CO -0.01 -0.13 0.76 -0.44 -0.10 0.00 0.00 174.94 175.03 1xut s SER 88 N -2.13 5.43 -0.18 3.58 0.01 -1.26 -1.11 113.70 118.04 1xut s SER 88 Ca 0.53 0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.86 1xut s SER 88 Cb -0.11 -1.12 -0.08 0.00 0.21 0.00 0.00 66.02 64.91 1xut s SER 88 CO 0.18 -1.03 -0.21 0.00 0.41 0.00 0.00 173.24 172.58 1xut h ALA 90 N -0.52 2.19 0.00 0.00 0.00 -1.95 0.10 119.26 119.09 1xut h ALA 90 Ca -0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1xut h ALA 90 Cb 1.43 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1xut h ALA 90 CO -0.23 -0.27 -0.08 0.77 0.00 0.00 0.00 179.25 179.43 1xut h SER 91 N 0.08 0.00 -0.18 0.00 0.02 -1.91 -3.15 113.55 108.42 1xut h SER 91 Ca 0.14 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1xut h SER 91 Cb 0.48 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 1xut h SER 91 CO -0.01 0.08 -0.09 2.30 -1.14 0.00 0.00 176.83 177.97 1xut n ILE 92 N -3.15 2.24 -1.76 3.27 -5.35 0.26 -5.02 119.36 109.84 1xut n ILE 92 Ca 0.02 -2.42 -0.42 0.00 -0.27 0.00 0.00 62.75 59.66 1xut n ILE 92 Cb 0.45 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 38.06 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 4.82 1.38 2.68 0.00 0.00 -1.26 -4.90 105.19 107.91 1xut n GLY 94 Ca 0.22 0.00 -0.08 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 -0.10 1.20 -4.44 1.61 1.13 -0.70 -5.10 117.38 110.97 1xut n GLN 95 Ca 0.00 -3.27 -0.23 0.00 -1.94 0.00 0.00 57.00 51.55 1xut n GLN 95 Cb 0.00 -1.28 -0.10 0.00 0.11 0.00 0.00 30.24 28.97 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 -3.19 2.19 1.39 1.08 -3.43 -0.98 -4.97 115.29 107.39 1xut s HIS 96 Ca 0.27 -0.37 -0.23 0.00 -0.80 0.00 0.00 55.06 53.93 1xut s HIS 96 Cb 0.45 -0.97 0.35 0.00 -1.43 0.00 0.00 32.58 30.98 1xut s HIS 96 CO 0.03 0.63 0.98 -1.25 -2.00 0.00 0.00 174.74 173.13 1xut s PRO 97 N -3.41 -2.69 0.56 -0.38 0.04 -1.26 -4.84 135.00 123.02 1xut s PRO 97 Ca 0.27 -0.01 0.30 0.00 0.04 0.00 0.00 61.00 61.60 1xut s PRO 97 Cb -0.05 -1.42 1.68 0.00 0.04 0.00 0.00 34.50 34.75 1xut s PRO 97 CO 0.13 -4.69 2.16 -0.22 0.04 0.00 0.00 177.00 174.42 1xut h LYS 98 N -3.28 0.00 -0.91 4.56 3.64 -2.01 -2.47 116.57 116.11 1xut h LYS 98 Ca -0.42 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1xut h LYS 98 Cb 1.32 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 1xut h LYS 98 CO 0.27 0.06 0.54 0.37 -2.27 0.00 0.00 179.45 178.42 1xut h GLN 99 N 0.00 1.24 -0.92 1.90 4.15 -2.04 -1.90 115.11 117.54 1xut h GLN 99 Ca -0.00 -0.12 -0.27 0.00 0.77 0.00 0.00 58.65 59.03 1xut h GLN 99 Cb 0.19 -0.26 -0.16 0.00 0.21 0.00 0.00 27.48 27.46 1xut h GLN 99 CO 0.01 0.88 0.35 0.00 -1.93 0.00 0.00 178.83 178.13 1xut h ALA 101 N 1.86 0.52 0.00 0.00 0.00 -1.39 -3.14 119.26 117.10 1xut h ALA 101 Ca 0.34 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xut h ALA 101 Cb 2.14 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 1xut h ALA 101 CO 0.68 1.02 -0.00 0.10 0.00 0.00 0.00 179.25 181.05 1xut h TYR 102 N 0.04 0.00 0.00 0.00 -0.00 -1.79 -3.10 116.97 112.12 1xut h TYR 102 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.70 1xut h TYR 102 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.28 1xut h TYR 102 CO 0.01 0.00 -0.00 0.35 -0.00 0.00 0.00 178.16 178.52 1xut h PHE 103 N 0.00 0.00 -3.01 0.10 3.04 -1.88 -3.46 116.94 111.72 1xut h PHE 103 Ca -0.00 0.00 -0.59 0.00 3.98 0.00 0.00 57.97 61.36 1xut h PHE 103 Cb 0.05 0.00 -0.40 0.00 2.56 0.00 0.00 35.95 38.16 1xut h PHE 103 CO 0.00 0.00 -0.76 0.00 -2.02 0.00 0.00 178.31 175.53 1xut n GLU 105 N 4.34 0.45 -1.55 0.00 -0.58 -1.17 -4.22 120.64 117.91 1xut n GLU 105 Ca 0.03 -0.97 -0.13 0.00 -0.42 0.00 0.00 57.16 55.67 1xut n GLU 105 Cb 0.39 1.27 -0.09 0.00 -0.57 0.00 0.00 31.44 32.44 1xut n GLU 105 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1xut n ASN 106 N -1.08 1.37 0.00 1.62 2.04 -1.26 -2.73 115.26 115.22 1xut n ASN 106 Ca -0.02 -1.80 0.00 0.00 -0.44 0.00 0.00 54.58 52.32 1xut n ASN 106 Cb 0.33 -1.61 0.00 0.00 -2.53 0.00 0.00 39.78 35.98 1xut n ASN 106 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 1xut n LYS 107 N 8.30 0.00 -3.04 -3.83 2.85 -1.26 -5.02 118.16 116.15 1xut n LYS 107 Ca 0.45 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.38 1xut n LYS 107 Cb 0.43 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.78 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 -0.36 5.21 0.00 -5.58 -0.00 -1.11 -5.21 117.00 109.95 1xut n LEU 108 Ca 0.00 -5.47 0.00 0.00 -0.00 0.00 0.00 56.01 50.54 1xut n LEU 108 Cb 0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 42.57 1xut n LEU 108 CO 0.00 2.08 0.15 0.54 -0.00 0.00 0.00 177.39 180.16