#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ylx s PHE 3 N 0.00 3.58 0.02 -0.32 0.08 -1.26 -4.33 117.98 115.74 1ylx s PHE 3 Ca 0.00 0.94 -0.05 0.00 0.12 0.00 0.00 56.93 57.94 1ylx s PHE 3 Cb 0.00 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 40.16 1ylx s PHE 3 CO 0.00 0.44 0.08 0.00 -0.10 0.00 0.00 175.22 175.65 1ylx s ALA 4 N -1.48 -0.12 0.57 5.36 0.00 -0.40 -4.90 121.76 120.79 1ylx s ALA 4 Ca 0.37 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.74 1ylx s ALA 4 Cb -0.14 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1ylx s ALA 4 CO 0.19 -0.24 1.05 -2.30 0.00 0.00 0.00 175.76 174.47 1ylx n PRO 5 N 1.23 1.10 -0.25 0.00 -0.02 -1.26 -0.25 135.00 135.54 1ylx n PRO 5 Ca -0.22 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 61.72 1ylx n PRO 5 Cb 0.56 -2.24 0.18 0.00 -0.02 0.00 0.00 33.50 31.98 1ylx n PRO 5 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ylx h ARG 6 N 0.78 0.45 -0.59 -0.52 2.43 -1.92 -1.20 114.38 113.81 1ylx h ARG 6 Ca -0.48 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.73 1ylx h ARG 6 Cb 1.35 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.76 1ylx h ARG 6 CO 0.53 0.30 0.39 0.66 -1.51 0.00 0.00 179.97 180.34 1ylx h SER 7 N 0.47 0.46 -0.36 -3.80 4.64 -1.95 -0.36 113.55 112.64 1ylx h SER 7 Ca 0.40 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.64 1ylx h SER 7 Cb 0.58 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1ylx h SER 7 CO -0.38 0.30 -0.09 0.58 -0.87 0.00 0.00 176.83 176.37 1ylx h VAL 8 N 0.52 1.28 -0.27 0.95 2.07 -1.56 -1.37 116.25 117.86 1ylx h VAL 8 Ca 0.26 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1ylx h VAL 8 Cb 0.35 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1ylx h VAL 8 CO -0.08 0.38 0.06 0.58 0.02 0.00 0.00 177.57 178.53 1ylx h VAL 9 N 0.49 1.22 -0.62 2.57 2.07 -1.11 -2.47 116.25 118.40 1ylx h VAL 9 Ca 0.09 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.92 1ylx h VAL 9 Cb 0.60 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1ylx h VAL 9 CO 0.04 0.24 0.37 0.40 0.02 0.00 0.00 177.57 178.63 1ylx h ILE 10 N 0.26 1.03 -0.52 4.57 1.08 -1.04 -1.48 117.51 121.41 1ylx h ILE 10 Ca 0.08 -0.24 0.02 0.00 -0.39 0.00 0.00 64.86 64.33 1ylx h ILE 10 Cb 0.30 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 1ylx h ILE 10 CO 0.00 0.13 0.35 -0.33 -0.69 0.00 0.00 178.15 177.61 1ylx h GLU 11 N 0.71 0.62 -0.58 2.37 4.39 -1.09 0.43 114.58 121.43 1ylx h GLU 11 Ca 0.26 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 1ylx h GLU 11 Cb 0.08 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1ylx h GLU 11 CO -0.13 0.41 -0.04 1.49 -1.16 0.00 0.00 179.01 179.58 1ylx h GLU 12 N 0.64 1.04 -0.26 2.33 4.81 -0.81 -0.63 114.58 121.70 1ylx h GLU 12 Ca 0.20 -0.35 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 1ylx h GLU 12 Cb 0.03 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1ylx h GLU 12 CO -0.05 1.04 -0.38 0.74 -0.73 0.00 0.00 179.01 179.63 1ylx h PHE 13 N 0.93 0.71 -0.58 0.92 0.04 -0.79 -2.92 116.94 115.25 1ylx h PHE 13 Ca 0.16 -0.20 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 1ylx h PHE 13 Cb 0.60 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1ylx h PHE 13 CO 0.04 0.89 0.08 0.82 -0.60 0.00 0.00 178.31 179.54 1ylx h ILE 14 N 0.50 1.25 0.00 -0.55 2.04 -0.63 -2.35 117.51 117.77 1ylx h ILE 14 Ca 0.05 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 1ylx h ILE 14 Cb 0.88 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1ylx h ILE 14 CO 0.08 0.36 -0.10 0.44 0.00 0.00 0.00 178.15 178.92 1ylx h ASP 15 N 0.89 0.00 0.58 1.72 3.32 -0.93 -1.99 116.42 120.01 1ylx h ASP 15 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1ylx h ASP 15 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1ylx h ASP 15 CO 0.01 0.10 -0.87 0.41 -1.72 0.00 0.00 179.24 177.17 1ylx n THR 16 N -3.89 0.23 0.09 0.35 -1.04 -1.01 -4.52 114.28 104.48 1ylx n THR 16 Ca -0.02 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.05 61.63 1ylx n THR 16 Cb 0.20 0.10 -0.07 0.00 -1.82 0.00 0.00 70.33 68.73 1ylx n THR 16 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1ylx h LEU 17 N 0.00 -1.05 -0.47 -4.42 5.85 -0.84 -3.06 115.31 111.33 1ylx h LEU 17 Ca 0.00 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1ylx h LEU 17 Cb 0.73 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1ylx h LEU 17 CO 0.00 -0.38 0.30 -0.08 -0.34 0.00 0.00 178.44 177.94 1ylx h GLU 18 N -0.52 0.59 -5.02 1.25 4.57 -1.80 -3.42 114.58 110.23 1ylx h GLU 18 Ca -0.01 -0.04 -0.40 0.00 -1.18 0.00 0.00 59.36 57.74 1ylx h GLU 18 Cb 0.51 -0.13 0.10 0.00 -0.16 0.00 0.00 28.75 29.07 1ylx h GLU 18 CO -0.18 0.39 0.95 -2.30 -1.18 0.00 0.00 179.01 176.69 1ylx n PRO 19 N -4.78 0.03 0.00 0.92 -0.02 -1.16 -4.58 135.00 125.40 1ylx n PRO 19 Ca 0.02 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.35 1ylx n PRO 19 Cb 0.04 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 1ylx n PRO 19 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1ylx n GLU 22 N 7.84 0.00 -0.34 -0.52 2.13 -1.26 -4.62 120.64 123.87 1ylx n GLU 22 Ca 0.43 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.24 1ylx n GLU 22 Cb 0.43 -0.04 0.14 0.00 0.27 0.00 0.00 31.44 32.24 1ylx n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ylx h ALA 23 N 0.00 1.32 -0.38 4.31 0.00 -1.96 -2.91 119.26 119.65 1ylx h ALA 23 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ylx h ALA 23 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1ylx h ALA 23 CO 0.00 0.62 0.00 0.66 0.00 0.00 0.00 179.25 180.53 1ylx n TYR 24 N -4.39 0.49 -3.61 0.00 4.01 -1.26 -4.98 117.16 107.41 1ylx n TYR 24 Ca 0.11 -0.27 -0.22 0.00 -0.16 0.00 0.00 57.90 57.37 1ylx n TYR 24 Cb 0.02 -0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.11 1ylx n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ylx n GLY 25 N 1.37 -0.39 3.81 2.72 0.00 -1.10 -4.98 105.19 106.62 1ylx n GLY 25 Ca 0.18 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 1ylx n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ylx s LEU 26 N -6.77 4.37 -0.03 0.99 1.43 -1.26 -5.01 118.68 112.39 1ylx s LEU 26 Ca 0.21 0.63 0.14 0.00 -1.03 0.00 0.00 54.13 54.09 1ylx s LEU 26 Cb -0.10 -2.33 -0.21 0.00 0.03 0.00 0.00 46.19 43.58 1ylx s LEU 26 CO 0.77 0.28 0.65 -0.67 0.23 0.00 0.00 176.35 177.61 1ylx n ASP 27 N 2.47 0.79 -3.49 2.29 2.03 -1.26 -4.74 116.55 114.63 1ylx n ASP 27 Ca -0.15 0.37 -0.20 0.00 0.52 0.00 0.00 54.79 55.33 1ylx n ASP 27 Cb 0.53 0.11 -0.13 0.00 -0.72 0.00 0.00 41.12 40.91 1ylx n ASP 27 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1ylx s GLN 28 N -2.68 0.20 0.02 -0.67 0.74 -1.26 -5.10 119.66 110.91 1ylx s GLN 28 Ca -0.05 0.05 0.01 0.00 0.05 0.00 0.00 55.36 55.43 1ylx s GLN 28 Cb 0.08 -1.17 -0.01 0.00 1.10 0.00 0.00 33.01 33.01 1ylx s GLN 28 CO 0.82 -0.75 -0.04 0.08 -0.55 0.00 0.00 175.29 174.85 1ylx s VAL 29 N 2.29 0.27 0.25 1.34 1.01 -1.26 -1.00 120.40 123.30 1ylx s VAL 29 Ca 0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1ylx s VAL 29 Cb -0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1ylx s VAL 29 CO -0.18 -0.22 0.24 -0.83 0.00 0.00 0.00 175.10 174.12 1ylx s GLY 30 N -0.86 1.53 0.17 4.51 0.00 -0.41 -4.98 107.32 107.28 1ylx s GLY 30 Ca -0.07 -1.67 -0.29 0.00 0.00 0.00 0.00 44.72 42.70 1ylx s GLY 30 CO -0.00 -1.28 0.91 -0.42 0.00 0.00 0.00 173.10 172.31 1ylx s ILE 31 N -3.88 4.31 -0.05 0.90 -1.09 -1.26 -1.04 121.20 119.09 1ylx s ILE 31 Ca 0.37 2.00 0.06 0.00 -2.23 0.00 0.00 60.65 60.84 1ylx s ILE 31 Cb 0.04 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.62 1ylx s ILE 31 CO 0.16 0.43 -0.22 0.12 -1.23 0.00 0.00 174.94 174.20 1ylx s PHE 32 N -0.67 2.50 -0.02 3.97 5.36 0.05 -4.76 117.98 124.41 1ylx s PHE 32 Ca 0.42 -0.48 -0.02 0.00 -0.96 0.00 0.00 56.93 55.90 1ylx s PHE 32 Cb -0.24 -1.59 0.00 0.00 -0.34 0.00 0.00 43.02 40.85 1ylx s PHE 32 CO 0.30 -0.05 0.05 -1.21 -1.46 0.00 0.00 175.22 172.84 1ylx s GLU 33 N -0.42 0.06 -0.02 10.12 2.02 -1.26 -1.02 118.70 128.18 1ylx s GLU 33 Ca 0.04 0.06 -0.01 0.00 0.02 0.00 0.00 54.97 55.08 1ylx s GLU 33 Cb -0.12 0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.15 1ylx s GLU 33 CO 0.01 -0.01 0.03 -1.21 0.02 0.00 0.00 175.26 174.11 1ylx s GLU 34 N 0.01 0.00 -0.39 1.61 2.02 -0.44 -4.99 118.70 116.53 1ylx s GLU 34 Ca -0.00 0.11 -0.16 0.00 0.02 0.00 0.00 54.97 54.94 1ylx s GLU 34 Cb -0.00 -0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.13 1ylx s GLU 34 CO 0.00 -0.08 0.38 -1.01 0.02 0.00 0.00 175.26 174.57 1ylx s HIS 35 N 0.49 3.20 0.45 1.61 3.76 -1.26 -0.95 115.29 122.59 1ylx s HIS 35 Ca -0.04 -0.28 -0.02 0.00 -0.15 0.00 0.00 55.06 54.57 1ylx s HIS 35 Cb -0.06 -2.75 0.09 0.00 1.11 0.00 0.00 32.58 30.98 1ylx s HIS 35 CO -0.02 -0.57 0.62 0.41 -0.85 0.00 0.00 174.74 174.33 1ylx n GLY 36 N 5.06 0.33 3.77 -2.22 0.00 0.71 -4.99 105.19 107.86 1ylx n GLY 36 Ca -0.09 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 1ylx n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ylx s GLU 37 N -4.10 3.02 -1.20 1.61 2.02 -1.26 -3.90 118.70 114.89 1ylx s GLU 37 Ca 0.40 1.45 -0.19 0.00 0.02 0.00 0.00 54.97 56.65 1ylx s GLU 37 Cb -0.02 -1.97 -0.00 0.00 0.10 0.00 0.00 34.13 32.23 1ylx s GLU 37 CO 0.27 -1.08 0.71 0.41 0.02 0.00 0.00 175.26 175.58 1ylx n GLY 38 N -0.32 -0.82 2.32 -1.39 0.00 -1.26 -2.08 105.19 101.65 1ylx n GLY 38 Ca 0.11 0.38 -0.15 0.00 0.00 0.00 0.00 46.02 46.36 1ylx n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ylx n ASN 39 N -2.67 -4.29 -4.88 1.61 5.03 -1.26 -4.93 115.26 103.87 1ylx n ASN 39 Ca -0.14 0.22 -0.31 0.00 0.87 0.00 0.00 54.58 55.22 1ylx n ASN 39 Cb 0.61 -3.73 -0.05 0.00 -1.02 0.00 0.00 39.78 35.59 1ylx n ASN 39 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ylx s ARG 40 N -4.36 3.75 -0.01 3.52 0.52 -0.88 -0.67 118.95 120.81 1ylx s ARG 40 Ca 0.00 0.19 -0.07 0.00 -0.52 0.00 0.00 55.73 55.33 1ylx s ARG 40 Cb 0.00 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.81 1ylx s ARG 40 CO 0.00 0.31 0.14 -0.47 0.02 0.00 0.00 175.30 175.30 1ylx s TYR 41 N -1.85 0.01 -0.04 -0.53 5.04 -0.48 -0.21 117.35 119.29 1ylx s TYR 41 Ca 0.46 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 55.07 1ylx s TYR 41 Cb -0.11 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.17 1ylx s TYR 41 CO 0.23 -0.25 -0.13 0.71 -1.34 0.00 0.00 175.55 174.77 1ylx s TYR 42 N -1.14 1.37 -0.01 4.97 2.02 -0.12 0.12 117.35 124.56 1ylx s TYR 42 Ca -0.12 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.20 1ylx s TYR 42 Cb -0.07 -0.96 -0.00 0.00 -0.40 0.00 0.00 41.96 40.53 1ylx s TYR 42 CO 0.01 -0.16 -0.09 0.08 -1.57 0.00 0.00 175.55 173.82 1ylx s VAL 43 N 0.22 0.73 0.00 0.71 1.01 -1.26 -1.32 120.40 120.49 1ylx s VAL 43 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1ylx s VAL 43 Cb -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1ylx s VAL 43 CO 0.02 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1ylx n GLY 44 N 2.96 1.36 3.11 4.51 0.00 -0.19 -4.49 105.19 112.44 1ylx n GLY 44 Ca -0.15 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1ylx n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ylx s TYR 45 N 0.23 0.90 -0.13 1.61 2.02 0.24 -0.77 117.35 121.45 1ylx s TYR 45 Ca 0.00 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1ylx s TYR 45 Cb 0.00 -0.52 0.01 0.00 -0.40 0.00 0.00 41.96 41.05 1ylx s TYR 45 CO 0.00 -0.03 -0.20 0.99 -1.57 0.00 0.00 175.55 174.74 1ylx s THR 46 N -1.37 1.89 -0.16 -0.71 2.01 -0.21 -0.96 115.64 116.14 1ylx s THR 46 Ca -0.06 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.00 1ylx s THR 46 Cb -0.10 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1ylx s THR 46 CO 0.01 0.52 0.02 -0.63 -0.69 0.00 0.00 174.62 173.85 1ylx s ILE 47 N 0.81 4.45 -0.47 1.82 1.01 0.11 -1.29 121.20 127.64 1ylx s ILE 47 Ca -0.08 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 1ylx s ILE 47 Cb -0.16 -2.97 0.08 0.00 0.01 0.00 0.00 42.46 39.42 1ylx s ILE 47 CO -0.01 0.49 0.37 0.21 0.00 0.00 0.00 174.94 176.01 1ylx s ASN 48 N 0.18 6.02 -0.46 3.58 3.84 -0.17 -1.01 114.94 126.92 1ylx s ASN 48 Ca 0.02 -1.42 -0.04 0.00 0.21 0.00 0.00 52.86 51.63 1ylx s ASN 48 Cb -0.13 -2.13 0.12 0.00 -0.55 0.00 0.00 41.25 38.56 1ylx s ASN 48 CO 0.01 -0.64 0.27 -0.75 -2.79 0.00 0.00 177.10 173.21 1ylx s LYS 49 N 1.58 2.18 -1.17 0.43 2.20 0.31 -4.38 119.74 120.89 1ylx s LYS 49 Ca 0.04 -1.97 -0.17 0.00 -0.36 0.00 0.00 55.97 53.51 1ylx s LYS 49 Cb -0.25 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.41 1ylx s LYS 49 CO 0.05 -1.11 0.76 -0.25 -0.36 0.00 0.00 175.35 174.44 1ylx n ASP 50 N 4.39 -4.65 0.00 1.43 9.92 -1.26 -1.64 116.55 124.74 1ylx n ASP 50 Ca -0.01 -0.99 0.00 0.00 -0.53 0.00 0.00 54.79 53.27 1ylx n ASP 50 Cb 0.41 -3.49 0.00 0.00 -0.64 0.00 0.00 41.12 37.39 1ylx n ASP 50 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ylx n ASP 51 N -2.76 0.00 -0.11 -2.24 8.00 -1.26 -5.22 116.55 112.96 1ylx n ASP 51 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1ylx n ASP 51 Cb 0.61 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1ylx n ASP 51 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ylx n GLU 52 N -2.00 3.16 0.00 -1.24 2.13 -0.65 -5.11 120.64 116.93 1ylx n GLU 52 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ylx n GLU 52 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ylx n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1ylx n ILE 54 N 0.00 0.00 -5.10 6.31 5.41 -0.18 -0.53 119.36 125.27 1ylx n ILE 54 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 1ylx n ILE 54 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 1ylx n ILE 54 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1ylx s THR 55 N 0.00 2.49 -0.03 1.39 2.01 -0.74 0.09 115.64 120.85 1ylx s THR 55 Ca 0.00 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.12 1ylx s THR 55 Cb 0.00 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 1ylx s THR 55 CO 0.00 0.58 -0.17 0.27 -0.69 0.00 0.00 174.62 174.61 1ylx s ILE 56 N -0.43 1.36 0.00 1.82 -4.36 -0.13 0.33 121.20 119.79 1ylx s ILE 56 Ca 0.04 -0.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.73 1ylx s ILE 56 Cb -0.12 -1.15 0.00 0.00 1.25 0.00 0.00 42.46 42.44 1ylx s ILE 56 CO 0.02 0.39 0.00 0.00 0.24 0.00 0.00 174.94 175.58 1ylx n HIS 57 N 2.90 0.00 -4.41 1.37 1.44 -0.55 -0.59 115.22 115.38 1ylx n HIS 57 Ca -0.16 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.33 1ylx n HIS 57 Cb 0.54 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.49 1ylx n HIS 57 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1ylx s PRO 59 N 1.47 1.15 0.26 -1.40 0.04 -1.26 -0.91 135.00 134.34 1ylx s PRO 59 Ca 0.00 -0.30 0.05 0.00 0.04 0.00 0.00 61.00 60.79 1ylx s PRO 59 Cb 0.00 -1.04 -0.06 0.00 0.04 0.00 0.00 34.50 33.45 1ylx s PRO 59 CO 0.00 0.06 -0.03 -0.06 0.04 0.00 0.00 177.00 177.01 1ylx s PHE 60 N 0.44 1.76 -0.05 0.56 0.08 0.12 -0.67 117.98 120.22 1ylx s PHE 60 Ca -0.08 -0.82 0.06 0.00 0.12 0.00 0.00 56.93 56.21 1ylx s PHE 60 Cb -0.12 -1.02 -0.02 0.00 -0.57 0.00 0.00 43.02 41.29 1ylx s PHE 60 CO 0.01 0.11 -0.23 0.08 -0.10 0.00 0.00 175.22 175.09 1ylx s VAL 61 N -3.22 2.26 -0.17 -0.44 1.01 0.19 -1.38 120.40 118.65 1ylx s VAL 61 Ca 0.29 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1ylx s VAL 61 Cb 0.05 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1ylx s VAL 61 CO 0.10 0.57 -0.05 -0.75 0.00 0.00 0.00 175.10 174.98 1ylx s LYS 62 N -0.39 3.56 0.28 2.72 2.20 0.15 -1.14 119.74 127.12 1ylx s LYS 62 Ca 0.03 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 55.05 1ylx s LYS 62 Cb -0.12 -2.91 0.06 0.00 -1.51 0.00 0.00 37.83 33.35 1ylx s LYS 62 CO 0.02 0.11 0.38 0.27 -0.36 0.00 0.00 175.35 175.77 1ylx n ASN 63 N 3.91 0.27 -0.26 1.43 0.23 -0.49 -4.83 115.26 115.51 1ylx n ASN 63 Ca -0.18 -1.28 0.08 0.00 -0.53 0.00 0.00 54.58 52.67 1ylx n ASN 63 Cb 0.52 -0.27 0.33 0.00 -2.08 0.00 0.00 39.78 38.27 1ylx n ASN 63 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1ylx h GLU 64 N 0.00 0.79 -0.46 -3.83 5.08 -2.00 -1.72 114.58 112.45 1ylx h GLU 64 Ca -0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1ylx h GLU 64 Cb 0.40 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ylx h GLU 64 CO 0.11 0.53 0.00 0.54 -1.00 0.00 0.00 179.01 179.19 1ylx n ARG 65 N -4.52 2.09 -0.91 2.33 5.12 -1.26 -4.90 116.66 114.60 1ylx n ARG 65 Ca 0.15 -1.42 0.00 0.00 -1.93 0.00 0.00 57.85 54.65 1ylx n ARG 65 Cb 0.33 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 1ylx n ARG 65 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ylx n GLY 66 N 0.96 0.83 3.79 -0.13 0.00 -0.65 -5.02 105.19 104.98 1ylx n GLY 66 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1ylx n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ylx s GLU 67 N -0.09 2.78 0.04 1.61 2.02 -1.26 -4.31 118.70 119.49 1ylx s GLU 67 Ca 0.00 1.14 0.09 0.00 0.02 0.00 0.00 54.97 56.21 1ylx s GLU 67 Cb 0.00 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.24 1ylx s GLU 67 CO 0.00 -1.23 -0.25 -0.51 0.02 0.00 0.00 175.26 173.28 1ylx s LEU 68 N -5.36 2.21 -0.04 1.80 1.43 0.66 -1.40 118.68 117.98 1ylx s LEU 68 Ca 0.61 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1ylx s LEU 68 Cb -0.16 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1ylx s LEU 68 CO 0.50 0.27 -0.10 0.00 0.23 0.00 0.00 176.35 177.24 1ylx s ALA 69 N -0.80 1.00 0.08 4.21 0.00 -0.29 -1.28 121.76 124.69 1ylx s ALA 69 Ca 0.12 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.40 1ylx s ALA 69 Cb -0.10 -0.39 -0.08 0.00 0.00 0.00 0.00 23.12 22.55 1ylx s ALA 69 CO 0.02 0.15 1.52 -1.17 0.00 0.00 0.00 175.76 176.27 1ylx s LEU 70 N 0.29 4.36 -0.03 0.00 1.98 -1.26 -0.63 118.68 123.38 1ylx s LEU 70 Ca -0.06 2.39 -0.08 0.00 -2.89 0.00 0.00 54.13 53.49 1ylx s LEU 70 Cb -0.11 -3.57 -0.30 0.00 0.66 0.00 0.00 46.19 42.88 1ylx s LEU 70 CO 0.01 -0.78 0.74 -0.08 -1.89 0.00 0.00 176.35 174.35 1ylx h GLU 71 N 7.58 0.34 -2.41 1.98 4.81 -1.21 -3.47 114.58 122.20 1ylx h GLU 71 Ca -0.41 -0.58 -0.08 0.00 -0.13 0.00 0.00 59.36 58.15 1ylx h GLU 71 Cb 1.20 0.22 -0.19 0.00 0.63 0.00 0.00 28.75 30.60 1ylx h GLU 71 CO 0.91 1.24 0.02 0.21 -0.73 0.00 0.00 179.01 180.65 1ylx s LYS 72 N -2.59 0.92 -1.34 1.92 2.20 -1.25 -5.06 119.74 114.53 1ylx s LYS 72 Ca -0.13 0.07 -0.14 0.00 -0.36 0.00 0.00 55.97 55.41 1ylx s LYS 72 Cb 0.06 0.43 0.10 0.00 -1.51 0.00 0.00 37.83 36.90 1ylx s LYS 72 CO 0.86 -0.28 1.89 0.94 -0.36 0.00 0.00 175.35 178.40 1ylx n GLN 73 N 1.01 3.21 -3.74 4.03 -0.06 -1.26 -4.61 117.38 115.95 1ylx n GLN 73 Ca -0.20 -3.19 -0.13 0.00 -2.00 0.00 0.00 57.00 51.48 1ylx n GLN 73 Cb 0.57 -3.22 -0.10 0.00 -4.06 0.00 0.00 30.24 23.43 1ylx n GLN 73 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1ylx s GLU 74 N 2.52 0.46 0.01 3.69 2.12 -1.26 -4.63 118.70 121.62 1ylx s GLU 74 Ca 0.46 0.45 0.04 0.00 0.36 0.00 0.00 54.97 56.29 1ylx s GLU 74 Cb 0.08 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 1ylx s GLU 74 CO -0.01 -0.07 -0.09 -1.58 -0.54 0.00 0.00 175.26 172.97 1ylx s TRP 75 N 0.05 2.82 -0.04 5.30 0.52 0.12 -4.31 118.94 123.40 1ylx s TRP 75 Ca -0.01 -0.09 0.05 0.00 0.02 0.00 0.00 56.10 56.07 1ylx s TRP 75 Cb -0.03 -1.57 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1ylx s TRP 75 CO 0.01 0.35 -0.20 0.99 0.02 0.00 0.00 176.95 178.12 1ylx s THR 76 N -0.99 2.59 -0.19 2.01 2.01 -0.08 -3.32 115.64 117.67 1ylx s THR 76 Ca 0.17 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 1ylx s THR 76 Cb -0.11 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 1ylx s THR 76 CO 0.07 0.58 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.82 1ylx s VAL 77 N -0.59 3.28 -0.38 3.82 1.01 0.19 -1.48 120.40 126.26 1ylx s VAL 77 Ca 0.09 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1ylx s VAL 77 Cb -0.11 -2.46 0.06 0.00 0.00 0.00 0.00 36.38 33.87 1ylx s VAL 77 CO 0.00 0.46 0.17 -0.60 0.00 0.00 0.00 175.10 175.14 1ylx s ARG 78 N 1.07 2.58 -0.00 2.72 3.52 0.15 -1.18 118.95 127.82 1ylx s ARG 78 Ca 0.01 -1.32 0.02 0.00 -0.13 0.00 0.00 55.73 54.31 1ylx s ARG 78 Cb -0.15 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 1ylx s ARG 78 CO -0.01 -0.80 -0.07 0.21 -0.81 0.00 0.00 175.30 173.82 1ylx s LYS 79 N 1.40 0.56 -1.62 5.12 2.20 -0.49 -1.78 119.74 125.12 1ylx s LYS 79 Ca 0.01 -0.28 -0.00 0.00 -0.36 0.00 0.00 55.97 55.33 1ylx s LYS 79 Cb -0.21 -0.53 0.00 0.00 -1.51 0.00 0.00 37.83 35.59 1ylx s LYS 79 CO 0.02 0.14 0.02 -0.25 -0.36 0.00 0.00 175.35 174.93 1ylx n ASP 80 N 2.80 -5.49 0.00 1.43 8.00 -1.26 -1.67 116.55 120.36 1ylx n ASP 80 Ca -0.14 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1ylx n ASP 80 Cb 0.57 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 37.09 1ylx n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ylx n GLY 81 N -0.99 0.40 3.26 0.44 0.00 -1.26 -5.02 105.19 102.02 1ylx n GLY 81 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1ylx n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ylx s ARG 82 N -0.47 1.06 0.01 1.61 1.81 -0.67 -5.13 118.95 117.17 1ylx s ARG 82 Ca 0.00 -1.13 0.03 0.00 -1.72 0.00 0.00 55.73 52.91 1ylx s ARG 82 Cb 0.00 -1.27 -0.04 0.00 -0.45 0.00 0.00 34.95 33.20 1ylx s ARG 82 CO 0.00 0.29 -0.03 -1.21 -0.68 0.00 0.00 175.30 173.67 1ylx s GLU 83 N -1.92 2.65 -0.05 3.54 2.02 -1.26 -1.39 118.70 122.29 1ylx s GLU 83 Ca 0.05 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.38 1ylx s GLU 83 Cb -0.10 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 31.56 1ylx s GLU 83 CO 0.04 0.60 -0.11 0.15 0.02 0.00 0.00 175.26 175.97 1ylx s LYS 84 N -1.59 1.35 0.00 1.61 1.02 -0.32 -4.97 119.74 116.83 1ylx s LYS 84 Ca 0.19 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.83 1ylx s LYS 84 Cb -0.11 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 1ylx s LYS 84 CO 0.10 0.06 0.00 1.63 -0.92 0.00 0.00 175.35 176.22 1ylx n LYS 85 N 3.60 2.40 -0.15 1.68 4.76 -1.26 -0.64 118.16 128.55 1ylx n LYS 85 Ca -0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1ylx n LYS 85 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1ylx n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ylx n GLY 86 N 5.00 0.70 3.70 0.72 0.00 -1.26 -4.96 105.19 109.10 1ylx n GLY 86 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ylx n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ylx s PHE 87 N -2.42 3.53 -1.98 1.61 0.08 -1.21 -4.96 117.98 112.63 1ylx s PHE 87 Ca 0.00 1.23 0.21 0.00 0.12 0.00 0.00 56.93 58.49 1ylx s PHE 87 Cb 0.00 -2.86 0.51 0.00 -0.57 0.00 0.00 43.02 40.10 1ylx s PHE 87 CO 0.00 -0.01 1.43 0.72 -0.10 0.00 0.00 175.22 177.26 1ylx n HIS 88 N 4.22 0.71 -3.52 0.36 8.25 -1.26 0.16 115.22 124.14 1ylx n HIS 88 Ca 0.00 -0.40 -0.11 0.00 -0.26 0.00 0.00 57.72 56.95 1ylx n HIS 88 Cb 0.51 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 1ylx n HIS 88 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ylx s SER 89 N -1.16 -0.49 0.20 0.41 1.04 -1.26 -4.72 113.70 107.72 1ylx s SER 89 Ca 0.41 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.61 1ylx s SER 89 Cb 0.22 0.62 0.13 0.00 0.10 0.00 0.00 66.02 67.09 1ylx s SER 89 CO 0.30 -1.04 1.75 0.25 0.98 0.00 0.00 173.24 175.48 1ylx h LEU 90 N 2.02 1.04 -0.79 2.42 5.85 -1.99 -1.38 115.31 122.47 1ylx h LEU 90 Ca -0.31 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.27 1ylx h LEU 90 Cb 1.30 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1ylx h LEU 90 CO 0.36 0.95 0.49 1.56 -0.34 0.00 0.00 178.44 181.46 1ylx h GLN 91 N 1.07 0.91 -0.55 1.25 4.20 -2.02 -2.03 115.11 117.94 1ylx h GLN 91 Ca 0.24 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 1ylx h GLN 91 Cb 0.25 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1ylx h GLN 91 CO -0.01 0.60 0.13 0.93 -0.67 0.00 0.00 178.83 179.80 1ylx h GLU 92 N 0.94 0.89 -1.05 1.46 5.08 -1.84 -0.54 114.58 119.51 1ylx h GLU 92 Ca 0.33 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ylx h GLU 92 Cb 0.09 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1ylx h GLU 92 CO -0.14 0.84 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 1ylx n ALA 93 N -2.40 1.48 0.00 3.43 0.00 -0.56 -2.28 120.51 120.18 1ylx n ALA 93 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ylx n ALA 93 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1ylx n ALA 93 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ylx n GLU 95 N 0.68 0.00 -0.13 0.00 2.13 -0.21 -1.26 120.64 121.84 1ylx n GLU 95 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1ylx n GLU 95 Cb 0.07 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.76 1ylx n GLU 95 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ylx h GLU 96 N 0.00 0.95 -0.61 5.31 4.57 -1.73 -0.01 114.58 123.06 1ylx h GLU 96 Ca 0.00 -0.47 -0.05 0.00 -1.18 0.00 0.00 59.36 57.66 1ylx h GLU 96 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1ylx h GLU 96 CO 0.00 1.13 0.20 0.28 -1.18 0.00 0.00 179.01 179.44 1ylx h VAL 97 N 0.78 1.24 0.13 0.32 2.07 -1.47 -2.21 116.25 117.12 1ylx h VAL 97 Ca 0.08 -0.81 -0.32 0.00 0.82 0.00 0.00 66.70 66.46 1ylx h VAL 97 Cb 0.92 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1ylx h VAL 97 CO 0.09 0.31 -1.63 0.40 0.02 0.00 0.00 177.57 176.76 1ylx h ILE 98 N 0.86 1.05 -0.00 4.57 1.08 -1.83 -3.40 117.51 119.83 1ylx h ILE 98 Ca 0.20 -2.69 0.00 0.00 -0.39 0.00 0.00 64.86 61.98 1ylx h ILE 98 Cb 0.27 2.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.75 1ylx h ILE 98 CO -0.01 0.82 -0.85 1.41 -0.69 0.00 0.00 178.15 178.83 1ylx n HIS 99 N -3.47 0.00 1.55 1.37 8.25 -0.02 -5.09 115.22 117.81 1ylx n HIS 99 Ca -0.20 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.41 1ylx n HIS 99 Cb 1.05 0.00 0.57 0.00 1.12 0.00 0.00 29.99 32.73 1ylx n HIS 99 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85