#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 3.15 0.12 1.61 0.01 -1.26 -4.93 113.70 112.39 1xut s SER 65 Ca 0.00 -0.60 -0.14 0.00 1.31 0.00 0.00 55.95 56.52 1xut s SER 65 Cb 0.00 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 1xut s SER 65 CO 0.00 0.25 1.51 1.55 0.41 0.00 0.00 173.24 176.96 1xut h PRO 66 N 4.74 0.78 0.00 12.44 0.13 -2.00 -3.46 132.00 144.62 1xut h PRO 66 Ca -0.47 -0.33 -0.56 0.00 -0.87 0.00 0.00 66.00 63.78 1xut h PRO 66 Cb 1.14 -0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.14 1xut h PRO 66 CO 0.43 0.94 -0.40 0.91 -0.23 0.00 0.00 178.00 179.65 1xut n TRP 67 N -4.30 0.95 0.00 1.56 8.01 -1.26 -5.07 117.44 117.32 1xut n TRP 67 Ca -0.02 -2.13 0.00 0.00 -1.31 0.00 0.00 57.50 54.05 1xut n TRP 67 Cb 0.40 -0.29 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 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 -1.28 0.00 -1.51 -0.99 2.88 -1.26 -4.89 113.62 106.57 1xut n SER 68 Ca -0.17 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.41 1xut n SER 68 Cb 0.55 0.10 0.28 0.00 -0.75 0.00 0.00 64.21 64.39 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 -1.92 4.44 -0.08 2.46 4.77 -1.26 -4.34 117.00 121.07 1xut n LEU 69 Ca 0.00 -2.26 -0.08 0.00 -0.03 0.00 0.00 56.01 53.64 1xut n LEU 69 Cb 0.00 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1xut n LEU 69 CO 0.00 0.53 -0.32 0.28 -1.33 0.00 0.00 177.39 176.55 1xut h SER 70 N 2.77 0.00 -3.01 -1.43 0.02 -2.01 -3.47 113.55 106.41 1xut h SER 70 Ca 0.02 -0.15 -0.37 0.00 -0.84 0.00 0.00 61.79 60.45 1xut h SER 70 Cb 1.59 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.75 1xut h SER 70 CO 0.37 0.90 -0.69 0.00 -1.14 0.00 0.00 176.83 176.27 1xut s ARG 72 N 2.23 1.83 -0.19 0.00 0.52 -1.26 -4.94 118.95 117.14 1xut s ARG 72 Ca 0.04 -2.19 -0.15 0.00 -0.52 0.00 0.00 55.73 52.91 1xut s ARG 72 Cb -0.14 -3.35 -0.08 0.00 0.52 0.00 0.00 34.95 31.89 1xut s ARG 72 CO -0.07 -1.04 -0.17 1.63 0.02 0.00 0.00 175.30 175.67 1xut n LYS 73 N 3.84 0.52 -2.75 3.54 5.02 -1.26 -5.08 118.16 121.98 1xut n LYS 73 Ca 0.04 0.42 -0.07 0.00 -2.02 0.00 0.00 58.31 56.67 1xut n LYS 73 Cb 0.38 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 1xut n LYS 73 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1xut n GLU 74 N -4.48 0.37 0.00 1.97 2.13 -1.26 -5.03 120.64 114.34 1xut n GLU 74 Ca -0.21 -1.38 0.15 0.00 0.66 0.00 0.00 57.16 56.38 1xut n GLU 74 Cb 0.51 1.35 0.83 0.00 0.27 0.00 0.00 31.44 34.40 1xut n GLU 74 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1xut n GLN 75 N -0.29 0.66 -0.44 5.31 6.02 -1.26 -3.36 117.38 124.03 1xut n GLN 75 Ca 0.00 -0.01 0.07 0.00 -0.01 0.00 0.00 57.00 57.05 1xut n GLN 75 Cb 0.29 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.24 1xut n GLN 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xut n GLY 76 N 1.17 5.01 3.49 1.08 0.00 -1.26 -5.01 105.19 109.68 1xut n GLY 76 Ca 0.18 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.11 3.31 0.38 1.61 3.01 -1.21 -2.57 119.74 121.15 1xut s LYS 77 Ca 0.37 -0.58 0.06 0.00 -1.01 0.00 0.00 55.97 54.81 1xut s LYS 77 Cb 0.34 -2.73 -0.07 0.00 -1.01 0.00 0.00 37.83 34.36 1xut s LYS 77 CO -0.03 0.36 0.03 -0.59 0.51 0.00 0.00 175.35 175.63 1xut s PHE 78 N 0.00 2.30 -0.16 3.18 -0.12 -0.65 -4.92 117.98 117.62 1xut s PHE 78 Ca -0.01 -0.78 0.00 0.00 -0.05 0.00 0.00 56.93 56.09 1xut s PHE 78 Cb -0.14 -1.58 0.00 0.00 -0.63 0.00 0.00 43.02 40.68 1xut s PHE 78 CO 0.03 0.27 -0.16 -0.47 -0.05 0.00 0.00 175.22 174.84 1xut s TYR 79 N -2.94 2.77 -0.53 3.49 6.14 -1.26 -1.76 117.35 123.26 1xut s TYR 79 Ca 0.36 -1.18 -0.17 0.00 0.64 0.00 0.00 57.07 56.71 1xut s TYR 79 Cb 0.09 -1.90 0.10 0.00 0.42 0.00 0.00 41.96 40.68 1xut s TYR 79 CO 0.17 -0.56 0.56 0.34 0.64 0.00 0.00 175.55 176.70 1xut s ASP 80 N 0.94 6.18 0.16 4.32 2.15 -0.84 -4.37 116.67 125.21 1xut s ASP 80 Ca -0.03 -1.43 -0.16 0.00 0.43 0.00 0.00 52.55 51.36 1xut s ASP 80 Cb -0.15 -2.24 0.08 0.00 -0.30 0.00 0.00 42.92 40.30 1xut s ASP 80 CO -0.03 -0.89 1.74 1.12 -0.17 0.00 0.00 175.17 176.95 1xut h HIS 81 N 8.96 0.20 -0.18 -5.34 2.07 -1.95 0.55 115.15 119.46 1xut h HIS 81 Ca -0.29 0.02 0.05 0.00 -2.85 0.00 0.00 60.37 57.30 1xut h HIS 81 Cb 1.10 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 31.04 1xut h HIS 81 CO 0.74 0.07 0.32 1.37 -3.07 0.00 0.00 177.93 177.36 1xut h LEU 82 N 0.25 0.00 0.00 6.12 8.10 -1.96 -0.01 115.31 127.82 1xut h LEU 82 Ca 0.17 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 58.02 1xut h LEU 82 Cb 0.17 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.36 1xut h LEU 82 CO -0.20 0.00 -2.01 0.18 -4.11 0.00 0.00 178.44 172.30 1xut n LEU 83 N -3.39 0.00 -0.03 0.17 4.77 -0.26 -4.98 117.00 113.27 1xut n LEU 83 Ca 0.02 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1xut n LEU 83 Cb 0.43 0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1xut n LEU 83 CO 0.22 0.19 -0.00 -1.14 -1.33 0.00 0.00 177.39 175.32 1xut n ARG 84 N -2.37 -0.78 -4.68 3.23 0.63 0.18 -4.99 116.66 107.88 1xut n ARG 84 Ca -0.14 0.23 -0.30 0.00 -0.92 0.00 0.00 57.85 56.71 1xut n ARG 84 Cb 0.75 -3.83 -0.09 0.00 0.45 0.00 0.00 32.46 29.74 1xut n ARG 84 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1xut s ASP 85 N -2.04 3.79 -0.43 6.15 1.11 -1.19 -5.01 116.67 119.04 1xut s ASP 85 Ca 0.00 -1.58 -0.12 0.00 0.18 0.00 0.00 52.55 51.03 1xut s ASP 85 Cb 0.00 0.29 0.07 0.00 1.07 0.00 0.00 42.92 44.35 1xut s ASP 85 CO 0.00 -0.77 0.30 0.00 1.18 0.00 0.00 175.17 175.89 1xut s ILE 87 N 1.53 5.38 0.45 0.00 1.09 -0.72 -4.96 121.20 123.97 1xut s ILE 87 Ca 0.03 -0.12 0.05 0.00 -1.10 0.00 0.00 60.65 59.51 1xut s ILE 87 Cb -0.23 -3.57 0.01 0.00 -1.06 0.00 0.00 42.46 37.62 1xut s ILE 87 CO 0.05 0.28 0.63 -0.55 -0.10 0.00 0.00 174.94 175.25 1xut s SER 88 N -2.03 5.59 -0.10 3.58 0.15 -1.26 -1.64 113.70 118.00 1xut s SER 88 Ca 0.30 -0.19 0.13 0.00 0.70 0.00 0.00 55.95 56.89 1xut s SER 88 Cb -0.13 -0.89 -0.24 0.00 -1.71 0.00 0.00 66.02 63.06 1xut s SER 88 CO 0.20 -0.83 0.46 0.00 1.20 0.00 0.00 173.24 174.27 1xut h ALA 90 N 0.95 0.78 0.00 0.00 0.00 -1.96 -2.36 119.26 116.67 1xut h ALA 90 Ca -0.37 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1xut h ALA 90 Cb 2.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1xut h ALA 90 CO 0.06 0.65 0.00 -1.13 0.00 0.00 0.00 179.25 178.83 1xut n SER 91 N -4.06 0.29 -0.62 0.00 3.41 -1.26 -2.66 113.62 108.72 1xut n SER 91 Ca -0.01 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.23 1xut n SER 91 Cb 0.50 -0.63 0.13 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.82 1.43 -1.64 -1.33 -5.35 -1.04 -5.05 119.36 104.56 1xut n ILE 92 Ca 0.03 -2.15 -0.44 0.00 -0.27 0.00 0.00 62.75 59.91 1xut n ILE 92 Cb 0.19 0.09 -0.04 0.00 -1.74 0.00 0.00 39.64 38.14 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 4.95 3.28 2.62 0.00 0.00 -1.26 -4.91 105.19 109.87 1xut n GLY 94 Ca 0.24 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 2.52 -4.28 1.61 6.02 -0.89 -5.00 117.38 117.35 1xut n GLN 95 Ca 0.00 -4.48 -0.15 0.00 -0.01 0.00 0.00 57.00 52.36 1xut n GLN 95 Cb 0.00 -2.09 -0.10 0.00 1.02 0.00 0.00 30.24 29.07 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 -2.83 1.38 0.99 1.08 -3.43 -1.16 -4.94 115.29 106.37 1xut s HIS 96 Ca 0.44 -0.91 -0.16 0.00 -0.80 0.00 0.00 55.06 53.62 1xut s HIS 96 Cb 0.24 -0.77 0.25 0.00 -1.43 0.00 0.00 32.58 30.86 1xut s HIS 96 CO -0.09 -0.06 0.57 -2.30 -2.00 0.00 0.00 174.74 170.85 1xut n PRO 97 N -0.31 -3.67 0.12 -0.38 -0.02 -1.26 -4.72 135.00 124.75 1xut n PRO 97 Ca -0.07 -0.95 -0.01 0.00 -2.02 0.00 0.00 63.50 60.45 1xut n PRO 97 Cb 0.63 -1.28 0.26 0.00 -0.02 0.00 0.00 33.50 33.09 1xut n PRO 97 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1xut h LYS 98 N 0.00 0.15 -0.06 -0.52 2.10 -2.00 -2.64 116.57 113.60 1xut h LYS 98 Ca -0.26 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.34 1xut h LYS 98 Cb 0.87 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1xut h LYS 98 CO 0.15 0.54 0.06 -0.56 -2.00 0.00 0.00 179.45 177.65 1xut h GLN 99 N 0.13 0.00 -0.05 0.07 3.07 -1.98 -0.20 115.11 116.15 1xut h GLN 99 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1xut h GLN 99 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.34 1xut h GLN 99 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.98 1xut h ALA 101 N 3.24 -0.75 -0.50 0.00 0.00 -0.71 -1.55 119.26 118.99 1xut h ALA 101 Ca 0.00 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1xut h ALA 101 Cb 0.70 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1xut h ALA 101 CO 0.00 -0.78 0.69 0.10 0.00 0.00 0.00 179.25 179.26 1xut h TYR 102 N -0.24 0.00 0.68 0.00 -0.00 -1.73 0.90 116.97 116.58 1xut h TYR 102 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.69 1xut h TYR 102 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.96 1xut h TYR 102 CO -0.25 0.00 -0.40 0.35 -0.00 0.00 0.00 178.16 177.86 1xut h PHE 103 N 0.00 -1.07 0.00 0.10 3.57 -1.58 -3.43 116.94 114.53 1xut h PHE 103 Ca 0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1xut h PHE 103 Cb 1.60 0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.72 1xut h PHE 103 CO 0.00 -0.61 -0.90 0.00 -2.23 0.00 0.00 178.31 174.57 1xut s GLU 105 N -1.90 2.70 0.00 0.00 -1.05 0.26 -4.05 118.70 114.66 1xut s GLU 105 Ca 0.00 -1.34 0.00 0.00 -0.15 0.00 0.00 54.97 53.48 1xut s GLU 105 Cb 0.00 -3.79 0.00 0.00 -0.44 0.00 0.00 34.13 29.90 1xut s GLU 105 CO 0.00 -0.88 0.00 -1.71 0.95 0.00 0.00 175.26 173.62 1xut n ASN 106 N 4.96 0.00 -0.97 0.83 2.85 -1.25 -3.56 115.26 118.13 1xut n ASN 106 Ca -0.11 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.35 1xut n ASN 106 Cb 0.44 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.45 1xut n ASN 106 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1xut n LYS 107 N -0.76 0.00 -0.68 1.20 -0.00 -1.26 -4.87 118.16 111.79 1xut n LYS 107 Ca 0.00 -1.14 0.02 0.00 -0.00 0.00 0.00 58.31 57.19 1xut n LYS 107 Cb 0.00 0.05 0.03 0.00 -0.00 0.00 0.00 35.03 35.11 1xut n LYS 107 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1xut n LEU 108 N 0.16 0.58 -0.76 -5.58 4.77 -1.26 -5.18 117.00 109.74 1xut n LEU 108 Ca -0.06 -1.56 0.13 0.00 -0.03 0.00 0.00 56.01 54.48 1xut n LEU 108 Cb 0.81 -0.07 0.28 0.00 -2.33 0.00 0.00 43.42 42.11 1xut n LEU 108 CO -0.05 0.40 0.73 0.54 -1.33 0.00 0.00 177.39 177.68