#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ysb n GLY 4 N 0.00 -4.33 5.40 3.38 0.00 -1.26 -4.59 105.19 103.79 1ysb n GLY 4 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1ysb n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ysb n GLY 5 N 0.87 1.84 3.75 -0.02 0.00 -1.26 -4.87 105.19 105.49 1ysb n GLY 5 Ca 0.00 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1ysb n GLY 5 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ysb s MET 6 N 0.00 4.44 0.66 1.61 -2.45 -1.26 -4.99 119.30 117.31 1ysb s MET 6 Ca 0.00 2.03 -0.16 0.00 -1.25 0.00 0.00 55.69 56.31 1ysb s MET 6 Cb 0.00 -3.17 0.00 0.00 1.25 0.00 0.00 34.83 32.91 1ysb s MET 6 CO 0.00 -0.14 1.17 0.00 1.05 0.00 0.00 175.02 177.11 1ysb s ALA 7 N -0.44 2.36 0.50 4.11 0.00 -1.26 -4.78 121.76 122.25 1ysb s ALA 7 Ca 0.52 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 53.11 1ysb s ALA 7 Cb -0.36 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.26 1ysb s ALA 7 CO 0.42 -1.46 1.01 0.45 0.00 0.00 0.00 175.76 176.18 1ysb s SER 8 N -2.07 6.43 0.61 0.00 0.15 -1.26 -4.92 113.70 112.65 1ysb s SER 8 Ca 0.73 1.78 0.41 0.00 0.70 0.00 0.00 55.95 59.57 1ysb s SER 8 Cb -0.27 -2.54 2.12 0.00 -1.71 0.00 0.00 66.02 63.63 1ysb s SER 8 CO 0.40 -0.72 2.24 0.07 1.20 0.00 0.00 173.24 176.43 1ysb h LYS 9 N 1.31 0.00 -0.31 5.44 2.10 -1.96 -2.17 116.57 120.98 1ysb h LYS 9 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1ysb h LYS 9 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1ysb h LYS 9 CO 0.60 0.00 0.00 0.91 -2.00 0.00 0.00 179.45 178.96 1ysb n TRP 10 N -3.00 0.39 -0.27 0.07 7.02 -1.26 -4.62 117.44 115.77 1ysb n TRP 10 Ca -0.02 -0.24 -0.04 0.00 -1.02 0.00 0.00 57.50 56.18 1ysb n TRP 10 Cb 0.11 -0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.12 1ysb n TRP 10 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1ysb h ASP 11 N 3.77 1.03 -0.17 -0.99 3.32 -1.77 -0.23 116.42 121.38 1ysb h ASP 11 Ca 0.00 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 1ysb h ASP 11 Cb 0.87 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1ysb h ASP 11 CO 0.00 0.87 -0.54 -0.61 -1.72 0.00 0.00 179.24 177.25 1ysb h GLN 12 N 1.12 0.76 -0.39 3.56 5.75 -1.82 -1.65 115.11 122.44 1ysb h GLN 12 Ca 0.27 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1ysb h GLN 12 Cb 0.13 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1ysb h GLN 12 CO -0.03 1.10 0.24 -0.22 -2.65 0.00 0.00 178.83 177.27 1ysb h LYS 13 N 0.58 0.52 -0.39 1.69 3.64 -1.80 -0.89 116.57 119.93 1ysb h LYS 13 Ca 0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1ysb h LYS 13 Cb 1.12 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1ysb h LYS 13 CO 0.11 0.37 0.16 0.78 -2.27 0.00 0.00 179.45 178.60 1ysb h GLY 14 N 0.52 0.62 1.66 5.01 0.00 -0.94 -1.86 103.07 108.07 1ysb h GLY 14 Ca 0.14 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1ysb h GLY 14 CO -0.03 0.32 -0.46 1.98 0.00 0.00 0.00 176.54 178.35 1ysb h MET 15 N 0.48 0.37 -0.50 4.80 1.85 -1.17 -1.25 114.93 119.52 1ysb h MET 15 Ca 0.13 -0.20 -0.09 0.00 -0.61 0.00 0.00 59.70 58.93 1ysb h MET 15 Cb 0.19 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.20 1ysb h MET 15 CO -0.01 0.75 -0.06 -0.44 -0.40 0.00 0.00 176.91 176.75 1ysb h ASP 16 N 0.30 0.87 -0.33 1.39 3.32 -1.03 -0.23 116.42 120.71 1ysb h ASP 16 Ca 0.02 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 1ysb h ASP 16 Cb 0.92 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1ysb h ASP 16 CO 0.08 0.96 -0.15 0.40 -1.72 0.00 0.00 179.24 178.81 1ysb h ILE 17 N 0.80 1.29 -0.80 0.35 2.04 -1.13 -0.91 117.51 119.15 1ysb h ILE 17 Ca 0.14 -1.26 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1ysb h ILE 17 Cb 0.57 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 1ysb h ILE 17 CO 0.03 0.41 0.52 0.00 0.00 0.00 0.00 178.15 179.11 1ysb h ALA 18 N 0.77 1.04 -0.62 1.87 0.00 -0.97 -0.75 119.26 120.61 1ysb h ALA 18 Ca 0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ysb h ALA 18 Cb 0.68 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ysb h ALA 18 CO 0.05 0.37 0.06 -0.92 0.00 0.00 0.00 179.25 178.80 1ysb h TYR 19 N 1.03 1.14 -0.96 0.00 3.20 -0.87 -1.50 116.97 119.02 1ysb h TYR 19 Ca 0.31 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1ysb h TYR 19 Cb -0.04 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 37.88 1ysb h TYR 19 CO -0.02 0.98 0.59 0.93 -1.64 0.00 0.00 178.16 178.99 1ysb h GLU 20 N 0.97 1.29 -0.46 1.82 5.08 -0.42 -0.50 114.58 122.35 1ysb h GLU 20 Ca 0.18 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1ysb h GLU 20 Cb 0.49 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1ysb h GLU 20 CO 0.02 0.89 -0.12 0.93 -1.00 0.00 0.00 179.01 179.73 1ysb h GLU 21 N 1.31 0.86 -0.61 2.33 4.39 -0.81 -1.35 114.58 120.70 1ysb h GLU 21 Ca 0.34 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1ysb h GLU 21 Cb -0.07 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1ysb h GLU 21 CO -0.07 0.93 0.07 0.00 -1.16 0.00 0.00 179.01 178.79 1ysb h ALA 22 N 1.09 0.81 -0.60 3.43 0.00 -0.61 -0.88 119.26 122.51 1ysb h ALA 22 Ca 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1ysb h ALA 22 Cb 0.63 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ysb h ALA 22 CO 0.04 0.59 0.22 -0.07 0.00 0.00 0.00 179.25 180.03 1ysb h LEU 23 N 0.93 0.84 -0.43 0.00 3.38 -0.87 -0.84 115.31 118.34 1ysb h LEU 23 Ca 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ysb h LEU 23 Cb 0.46 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ysb h LEU 23 CO 0.02 0.80 0.20 -0.07 0.09 0.00 0.00 178.44 179.48 1ysb h LEU 24 N 0.83 0.56 -1.01 1.67 3.38 -1.02 -0.60 115.31 119.13 1ysb h LEU 24 Ca 0.20 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ysb h LEU 24 Cb 0.24 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1ysb h LEU 24 CO -0.01 0.53 0.64 1.23 0.09 0.00 0.00 178.44 180.92 1ysb h GLY 25 N 0.55 1.39 1.01 0.83 0.00 -0.90 -1.19 103.07 104.76 1ysb h GLY 25 Ca 0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1ysb h GLY 25 CO -0.02 0.52 0.22 -1.82 0.00 0.00 0.00 176.54 175.44 1ysb h TYR 26 N 1.34 0.99 0.00 5.60 3.20 -0.66 0.91 116.97 128.35 1ysb h TYR 26 Ca 0.36 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 1ysb h TYR 26 Cb -0.14 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.84 1ysb h TYR 26 CO 0.00 0.80 -0.21 0.87 -1.64 0.00 0.00 178.16 177.98 1ysb h LYS 27 N 0.89 0.00 -0.07 1.82 1.57 -0.43 -1.55 116.57 118.80 1ysb h LYS 27 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1ysb h LYS 27 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ysb h LYS 27 CO -0.01 0.21 0.00 0.39 -0.57 0.00 0.00 179.45 179.47 1ysb n GLU 28 N -3.94 1.39 -0.87 3.15 1.02 -0.52 -4.88 120.64 115.99 1ysb n GLU 28 Ca -0.02 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 1ysb n GLU 28 Cb 0.29 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1ysb n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ysb n GLY 29 N 1.01 0.50 1.29 0.62 0.00 -0.58 -4.88 105.19 103.14 1ysb n GLY 29 Ca 0.17 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 1ysb n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ysb n GLY 30 N -2.87 2.47 3.69 -0.02 0.00 0.26 -4.92 105.19 103.79 1ysb n GLY 30 Ca 0.00 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 1ysb n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ysb s VAL 31 N -0.57 3.88 -1.24 1.61 1.01 -1.26 -4.16 120.40 119.66 1ysb s VAL 31 Ca 0.15 1.24 -0.14 0.00 0.00 0.00 0.00 61.98 63.23 1ysb s VAL 31 Cb -0.01 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1ysb s VAL 31 CO 0.10 -0.00 2.29 -0.81 0.00 0.00 0.00 175.10 176.67 1ysb n PRO 32 N 5.34 2.57 -3.92 2.72 -0.04 -1.26 -4.29 135.00 136.12 1ysb n PRO 32 Ca 0.12 -2.16 -0.27 0.00 -0.04 0.00 0.00 63.50 61.15 1ysb n PRO 32 Cb 0.44 -2.97 -0.17 0.00 -0.04 0.00 0.00 33.50 30.76 1ysb n PRO 32 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ysb s ILE 33 N 3.47 1.10 0.35 0.52 1.01 -1.26 -4.72 121.20 121.67 1ysb s ILE 33 Ca 0.53 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.85 1ysb s ILE 33 Cb 0.14 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 1ysb s ILE 33 CO -0.02 0.35 0.09 -0.83 0.00 0.00 0.00 174.94 174.53 1ysb s GLY 34 N 1.67 2.23 0.07 6.18 0.00 -1.26 -1.50 107.32 114.72 1ysb s GLY 34 Ca 0.04 -1.72 -0.19 0.00 0.00 0.00 0.00 44.72 42.85 1ysb s GLY 34 CO -0.08 -1.79 0.90 0.61 0.00 0.00 0.00 173.10 172.73 1ysb n GLY 35 N -0.74 0.55 3.50 0.20 0.00 -0.13 -1.67 105.19 106.90 1ysb n GLY 35 Ca -0.03 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 1ysb n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ysb s LEU 37 N -2.23 2.55 -0.00 0.00 2.96 -0.19 -0.34 118.68 121.43 1ysb s LEU 37 Ca 0.02 -0.49 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1ysb s LEU 37 Cb -0.01 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1ysb s LEU 37 CO -0.07 0.01 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.17 1ysb s ILE 38 N 1.28 2.82 -0.22 6.68 1.01 -0.47 -0.58 121.20 131.71 1ysb s ILE 38 Ca 0.03 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 1ysb s ILE 38 Cb -0.14 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.21 1ysb s ILE 38 CO -0.06 0.47 1.10 0.21 0.00 0.00 0.00 174.94 176.66 1ysb s ASN 39 N -1.05 7.04 0.61 3.58 3.84 -0.07 -1.20 114.94 127.69 1ysb s ASN 39 Ca 0.13 1.43 0.38 0.00 0.21 0.00 0.00 52.86 55.00 1ysb s ASN 39 Cb -0.10 -2.54 1.92 0.00 -0.55 0.00 0.00 41.25 39.98 1ysb s ASN 39 CO 0.03 -0.72 2.20 0.78 -2.79 0.00 0.00 177.10 176.60 1ysb h ASN 40 N 7.72 0.00 0.02 -4.21 2.35 -1.55 0.15 115.58 120.06 1ysb h ASN 40 Ca -0.21 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1ysb h ASN 40 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1ysb h ASN 40 CO 0.98 0.02 -0.01 0.50 -1.65 0.00 0.00 177.43 177.27 1ysb h LYS 41 N 0.00 -0.03 0.00 0.81 1.63 -1.91 -3.39 116.57 113.68 1ysb h LYS 41 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ysb h LYS 41 Cb 0.21 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1ysb h LYS 41 CO 0.00 0.36 0.00 -0.40 -3.45 0.00 0.00 179.45 175.96 1ysb n ASP 42 N -4.92 0.83 0.00 4.20 5.68 -1.20 -5.01 116.55 116.14 1ysb n ASP 42 Ca -0.08 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1ysb n ASP 42 Cb 0.21 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1ysb n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ysb n GLY 43 N -0.11 0.49 3.77 6.12 0.00 0.52 -5.00 105.19 110.99 1ysb n GLY 43 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ysb n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ysb s SER 44 N -2.10 6.66 -0.46 1.61 0.01 -1.25 -4.67 113.70 113.50 1ysb s SER 44 Ca 0.00 2.75 -0.23 0.00 1.31 0.00 0.00 55.95 59.78 1ysb s SER 44 Cb 0.00 -2.65 0.03 0.00 0.21 0.00 0.00 66.02 63.61 1ysb s SER 44 CO 0.00 -0.62 0.78 -0.69 0.41 0.00 0.00 173.24 173.12 1ysb s VAL 45 N -1.15 4.65 0.23 3.43 1.01 -1.26 -0.89 120.40 126.41 1ysb s VAL 45 Ca 0.50 0.35 0.11 0.00 0.00 0.00 0.00 61.98 62.94 1ysb s VAL 45 Cb -0.41 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 1ysb s VAL 45 CO 0.54 -0.75 1.56 -0.07 0.00 0.00 0.00 175.10 176.38 1ysb h LEU 46 N 10.17 0.00 -7.00 3.92 3.38 -1.21 -3.48 115.31 121.09 1ysb h LEU 46 Ca -0.25 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.01 1ysb h LEU 46 Cb 1.09 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.64 1ysb h LEU 46 CO 0.97 0.66 0.89 -0.83 0.09 0.00 0.00 178.44 180.22 1ysb s GLY 47 N -4.50 -0.25 -0.02 0.83 0.00 -1.21 -4.34 107.32 97.83 1ysb s GLY 47 Ca -0.01 1.76 -0.14 0.00 0.00 0.00 0.00 44.72 46.33 1ysb s GLY 47 CO 0.77 0.59 0.29 1.09 0.00 0.00 0.00 173.10 175.84 1ysb s ARG 48 N -2.23 0.64 0.06 2.90 1.70 -1.26 -1.02 118.95 119.74 1ysb s ARG 48 Ca 0.10 -0.18 -0.26 0.00 -0.47 0.00 0.00 55.73 54.92 1ysb s ARG 48 Cb -0.01 0.28 0.09 0.00 -0.57 0.00 0.00 34.95 34.74 1ysb s ARG 48 CO -0.04 -0.17 1.19 0.20 -1.08 0.00 0.00 175.30 175.40 1ysb s GLY 49 N -1.27 -0.07 0.23 3.88 0.00 -0.73 -4.73 107.32 104.64 1ysb s GLY 49 Ca -0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 1ysb s GLY 49 CO 0.04 3.87 0.27 -2.38 0.00 0.00 0.00 173.10 174.90 1ysb s HIS 50 N -2.14 0.95 0.17 1.90 -3.43 -1.26 -0.95 115.29 110.53 1ysb s HIS 50 Ca 0.25 -1.20 -0.34 0.00 -0.80 0.00 0.00 55.06 52.98 1ysb s HIS 50 Cb -0.01 -0.31 -0.14 0.00 -1.43 0.00 0.00 32.58 30.69 1ysb s HIS 50 CO 0.01 -0.79 1.51 -1.71 -2.00 0.00 0.00 174.74 171.76 1ysb n ASN 51 N -0.45 2.84 -0.42 7.38 2.85 -0.56 -4.53 115.26 122.37 1ysb n ASN 51 Ca 0.01 1.10 0.08 0.00 -0.11 0.00 0.00 54.58 55.66 1ysb n ASN 51 Cb 0.64 -1.40 0.18 0.00 1.24 0.00 0.00 39.78 40.45 1ysb n ASN 51 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1ysb n MET 52 N 3.02 1.71 0.03 1.20 2.81 -0.45 -4.60 117.12 120.84 1ysb n MET 52 Ca 0.16 -2.81 -0.10 0.00 -1.81 0.00 0.00 57.70 53.14 1ysb n MET 52 Cb 0.28 -1.62 -0.04 0.00 -0.71 0.00 0.00 33.22 31.14 1ysb n MET 52 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1ysb h ARG 53 N 0.61 -0.29 0.14 0.03 2.43 -1.72 0.16 114.38 115.73 1ysb h ARG 53 Ca 0.02 0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.91 1ysb h ARG 53 Cb 1.15 0.07 0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1ysb h ARG 53 CO 0.08 -0.19 -1.27 0.74 -1.51 0.00 0.00 179.97 177.82 1ysb h PHE 54 N -0.30 0.90 -0.32 2.20 -1.00 -1.86 0.16 116.94 116.72 1ysb h PHE 54 Ca 0.08 -0.59 -0.09 0.00 2.81 0.00 0.00 57.97 60.18 1ysb h PHE 54 Cb 0.41 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1ysb h PHE 54 CO -0.28 1.44 -0.20 1.96 -1.61 0.00 0.00 178.31 179.62 1ysb h GLN 55 N 0.22 0.59 0.00 1.51 7.50 -1.86 -3.31 115.11 119.76 1ysb h GLN 55 Ca -0.19 -0.21 0.00 0.00 0.50 0.00 0.00 58.65 58.76 1ysb h GLN 55 Cb 1.95 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 29.43 1ysb h GLN 55 CO 0.24 0.75 0.00 1.63 -1.50 0.00 0.00 178.83 179.94 1ysb n LYS 56 N -4.14 1.14 -3.53 1.46 5.02 0.04 -4.99 118.16 113.16 1ysb n LYS 56 Ca 0.00 -1.01 -0.22 0.00 -2.02 0.00 0.00 58.31 55.06 1ysb n LYS 56 Cb 0.39 -0.98 0.08 0.00 -0.02 0.00 0.00 35.03 34.50 1ysb n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ysb n GLY 57 N -0.26 -0.45 3.68 0.72 0.00 0.47 -4.97 105.19 104.38 1ysb n GLY 57 Ca 0.00 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1ysb n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ysb s SER 58 N -3.36 6.00 0.00 1.61 0.15 -0.71 -4.98 113.70 112.41 1ysb s SER 58 Ca 0.53 0.15 0.26 0.00 0.70 0.00 0.00 55.95 57.59 1ysb s SER 58 Cb -0.23 -2.05 0.60 0.00 -1.71 0.00 0.00 66.02 62.63 1ysb s SER 58 CO 0.69 0.15 1.47 0.00 1.20 0.00 0.00 173.24 176.75 1ysb n ALA 59 N 3.70 3.37 0.02 5.45 0.00 -1.26 -3.93 120.51 127.86 1ysb n ALA 59 Ca -0.16 -0.37 0.01 0.00 0.00 0.00 0.00 53.44 52.92 1ysb n ALA 59 Cb 0.52 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 1ysb n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ysb n THR 60 N -1.19 0.00 -1.53 0.00 -2.24 -1.26 -4.87 114.28 103.19 1ysb n THR 60 Ca 0.08 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 1ysb n THR 60 Cb 0.34 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.10 1ysb n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ysb n LEU 61 N -1.48 6.38 -4.72 3.22 4.77 -1.26 -4.75 117.00 119.15 1ysb n LEU 61 Ca -0.00 -3.84 -0.29 0.00 -0.03 0.00 0.00 56.01 51.84 1ysb n LEU 61 Cb 0.05 -1.51 0.15 0.00 -2.33 0.00 0.00 43.42 39.78 1ysb n LEU 61 CO 0.04 0.86 0.67 -1.00 -1.33 0.00 0.00 177.39 176.63 1ysb s HIS 62 N 3.50 2.29 0.23 -1.77 3.76 -1.26 -1.34 115.29 120.70 1ysb s HIS 62 Ca 0.51 1.03 -0.07 0.00 -0.15 0.00 0.00 55.06 56.38 1ysb s HIS 62 Cb 0.14 -3.25 0.38 0.00 1.11 0.00 0.00 32.58 30.96 1ysb s HIS 62 CO -0.04 -2.58 1.70 0.78 -0.85 0.00 0.00 174.74 173.75 1ysb h GLY 63 N -1.67 0.93 1.04 -2.22 0.00 -1.80 0.12 103.07 99.47 1ysb h GLY 63 Ca -0.52 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 1ysb h GLY 63 CO 0.58 -0.14 -0.09 0.83 0.00 0.00 0.00 176.54 177.72 1ysb h GLU 64 N 0.30 0.91 -0.46 4.80 3.07 -1.88 -1.22 114.58 120.10 1ysb h GLU 64 Ca 0.37 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.79 1ysb h GLU 64 Cb 0.58 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1ysb h GLU 64 CO -0.44 0.99 -0.10 0.82 -1.40 0.00 0.00 179.01 178.88 1ysb h ILE 65 N 0.76 1.27 -0.82 3.13 1.08 -1.70 -2.05 117.51 119.18 1ysb h ILE 65 Ca 0.12 -1.22 -0.03 0.00 -0.39 0.00 0.00 64.86 63.35 1ysb h ILE 65 Cb 0.64 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 1ysb h ILE 65 CO 0.04 0.42 0.39 -1.28 -0.69 0.00 0.00 178.15 177.03 1ysb h SER 66 N 0.72 1.07 -0.01 1.72 0.87 -0.70 0.11 113.55 117.33 1ysb h SER 66 Ca 0.12 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1ysb h SER 66 Cb 0.64 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1ysb h SER 66 CO 0.04 0.91 -0.04 0.74 -0.53 0.00 0.00 176.83 177.95 1ysb h THR 67 N 1.16 0.90 -0.76 2.23 2.02 -0.97 -0.46 112.91 117.02 1ysb h THR 67 Ca 0.28 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.43 1ysb h THR 67 Cb 0.12 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1ysb h THR 67 CO -0.04 0.00 0.35 -0.07 0.37 0.00 0.00 175.52 176.13 1ysb h LEU 68 N -0.06 1.00 -0.93 2.58 3.38 -1.04 -2.42 115.31 117.81 1ysb h LEU 68 Ca 0.02 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1ysb h LEU 68 Cb 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1ysb h LEU 68 CO -0.05 0.86 0.33 -0.08 0.09 0.00 0.00 178.44 179.58 1ysb h GLU 69 N 1.09 1.10 0.00 1.13 4.57 -0.57 -2.24 114.58 119.65 1ysb h GLU 69 Ca 0.26 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ysb h GLU 69 Cb 0.13 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1ysb h GLU 69 CO -0.03 0.87 0.00 0.09 -1.18 0.00 0.00 179.01 178.76 1ysb n ASN 70 N -4.30 0.14 0.21 1.04 3.02 -0.22 -2.11 115.26 113.03 1ysb n ASN 70 Ca 0.07 0.53 0.12 0.00 -0.03 0.00 0.00 54.58 55.27 1ysb n ASN 70 Cb 0.16 -0.56 0.15 0.00 -0.61 0.00 0.00 39.78 38.92 1ysb n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ysb n GLY 72 N 1.11 -2.20 3.68 0.00 0.00 -0.90 -4.79 105.19 102.09 1ysb n GLY 72 Ca 0.04 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1ysb n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ysb s ARG 73 N -0.63 4.29 0.09 1.61 0.52 -1.26 -4.94 118.95 118.62 1ysb s ARG 73 Ca 0.00 1.81 0.06 0.00 -0.52 0.00 0.00 55.73 57.09 1ysb s ARG 73 Cb 0.00 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.79 1ysb s ARG 73 CO 0.00 -0.58 -0.17 -0.51 0.02 0.00 0.00 175.30 174.06 1ysb s LEU 74 N 2.72 2.29 0.47 2.53 1.43 -1.26 -5.12 118.68 121.74 1ysb s LEU 74 Ca 0.60 -0.65 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 1ysb s LEU 74 Cb -0.27 -0.66 -0.07 0.00 0.03 0.00 0.00 46.19 45.22 1ysb s LEU 74 CO 0.22 -0.03 1.29 -1.61 0.23 0.00 0.00 176.35 176.46 1ysb s GLU 75 N -1.85 3.61 0.35 1.70 0.41 -1.26 -4.89 118.70 116.77 1ysb s GLU 75 Ca 0.02 2.10 0.11 0.00 -0.41 0.00 0.00 54.97 56.79 1ysb s GLU 75 Cb -0.10 -2.48 0.90 0.00 -1.78 0.00 0.00 34.13 30.67 1ysb s GLU 75 CO 0.03 -0.77 1.80 0.78 -0.49 0.00 0.00 175.26 176.61 1ysb h GLY 76 N 2.06 1.43 1.59 -1.39 0.00 -1.99 -2.30 103.07 102.47 1ysb h GLY 76 Ca -0.50 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 46.57 1ysb h GLY 76 CO 0.60 -0.06 0.21 0.07 0.00 0.00 0.00 176.54 177.36 1ysb h LYS 77 N 0.60 0.30 -0.53 4.80 5.09 -1.94 -2.91 116.57 121.97 1ysb h LYS 77 Ca 0.55 -0.02 0.07 0.00 0.09 0.00 0.00 60.65 61.34 1ysb h LYS 77 Cb 1.09 -0.07 -0.06 0.00 0.10 0.00 0.00 32.23 33.29 1ysb h LYS 77 CO -0.31 0.20 0.22 0.28 -2.09 0.00 0.00 179.45 177.75 1ysb h VAL 78 N 0.31 0.87 -0.07 0.07 2.07 -1.78 -2.22 116.25 115.50 1ysb h VAL 78 Ca 0.13 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ysb h VAL 78 Cb 0.13 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1ysb h VAL 78 CO -0.03 0.08 0.02 1.88 0.02 0.00 0.00 177.57 179.54 1ysb h TYR 79 N 0.43 0.09 0.00 1.57 0.05 -1.68 -3.06 116.97 114.36 1ysb h TYR 79 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1ysb h TYR 79 Cb 0.24 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1ysb h TYR 79 CO -0.14 0.08 0.07 0.87 -1.05 0.00 0.00 178.16 177.99 1ysb h LYS 80 N 0.09 0.00 -1.43 4.88 1.79 -1.50 -2.81 116.57 117.60 1ysb h LYS 80 Ca 0.02 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.05 1ysb h LYS 80 Cb 0.03 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.27 1ysb h LYS 80 CO -0.00 0.00 -1.07 -3.47 -1.08 0.00 0.00 179.45 173.83 1ysb n ASP 81 N -2.33 2.17 -4.35 0.86 2.03 -1.16 -4.52 116.55 109.26 1ysb n ASP 81 Ca -0.02 -3.05 -0.20 0.00 0.52 0.00 0.00 54.79 52.05 1ysb n ASP 81 Cb 0.11 -0.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.87 1ysb n ASP 81 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ysb s THR 82 N -3.53 0.86 -0.04 5.18 -4.23 -1.06 -1.38 115.64 111.43 1ysb s THR 82 Ca 0.36 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1ysb s THR 82 Cb 0.41 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 71.57 1ysb s THR 82 CO -0.05 0.00 -0.09 -0.89 -0.54 0.00 0.00 174.62 173.05 1ysb s THR 83 N -3.48 0.88 -0.22 3.99 2.01 -0.34 -3.59 115.64 114.88 1ysb s THR 83 Ca 0.36 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 1ysb s THR 83 Cb 0.08 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 1ysb s THR 83 CO 0.15 0.29 0.13 -0.22 -0.69 0.00 0.00 174.62 174.28 1ysb s LEU 84 N 0.52 4.01 -0.15 4.42 0.20 -0.50 -1.37 118.68 125.81 1ysb s LEU 84 Ca -0.09 0.09 -0.06 0.00 0.69 0.00 0.00 54.13 54.76 1ysb s LEU 84 Cb -0.13 -2.06 -0.04 0.00 -0.43 0.00 0.00 46.19 43.53 1ysb s LEU 84 CO 0.02 0.09 0.05 -0.31 -0.29 0.00 0.00 176.35 175.91 1ysb s TYR 85 N 0.89 3.27 -0.00 5.38 2.02 0.54 -1.51 117.35 127.94 1ysb s TYR 85 Ca 0.07 0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 1ysb s TYR 85 Cb -0.13 -1.99 -0.00 0.00 -0.40 0.00 0.00 41.96 39.44 1ysb s TYR 85 CO 0.03 0.30 -0.03 -0.08 -1.57 0.00 0.00 175.55 174.21 1ysb s THR 86 N -0.12 0.21 -0.20 -0.71 -1.32 -0.37 -1.77 115.64 111.36 1ysb s THR 86 Ca 0.07 -0.16 0.29 0.00 -1.21 0.00 0.00 61.69 60.68 1ysb s THR 86 Cb -0.12 -0.19 0.34 0.00 -1.51 0.00 0.00 72.50 71.02 1ysb s THR 86 CO 0.01 0.03 1.84 0.71 -2.21 0.00 0.00 174.62 175.00 1ysb h THR 87 N 5.06 0.00 -3.89 5.08 1.35 -1.61 0.14 112.91 119.03 1ysb h THR 87 Ca -0.26 -0.54 -0.28 0.00 -0.55 0.00 0.00 66.41 64.78 1ysb h THR 87 Cb 1.20 1.49 -0.26 0.00 -1.73 0.00 0.00 68.15 68.85 1ysb h THR 87 CO 0.50 0.00 -0.74 -0.22 -0.25 0.00 0.00 175.52 174.81 1ysb s LEU 88 N -5.68 2.09 0.05 3.87 2.96 -1.26 -2.50 118.68 118.21 1ysb s LEU 88 Ca 0.04 -0.23 -0.35 0.00 -0.22 0.00 0.00 54.13 53.37 1ysb s LEU 88 Cb 0.09 -0.15 -0.14 0.00 0.50 0.00 0.00 46.19 46.48 1ysb s LEU 88 CO 0.54 -0.05 1.62 -0.24 -1.32 0.00 0.00 176.35 176.90 1ysb n SER 89 N 2.48 2.83 -4.74 3.68 2.88 -0.63 -4.83 113.62 115.30 1ysb n SER 89 Ca -0.16 1.06 -0.42 0.00 -1.33 0.00 0.00 58.87 58.03 1ysb n SER 89 Cb 0.57 -1.34 -0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1ysb n SER 89 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ysb n PRO 90 N 4.16 2.44 -1.49 -1.46 -0.04 -1.26 -4.66 135.00 132.69 1ysb n PRO 90 Ca 0.19 0.86 -0.29 0.00 -0.04 0.00 0.00 63.50 64.22 1ysb n PRO 90 Cb 0.26 -2.53 0.22 0.00 -0.04 0.00 0.00 33.50 31.40 1ysb n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ysb h ASP 92 N -2.10 0.00 -0.01 0.00 5.19 -1.96 -1.01 116.42 116.54 1ysb h ASP 92 Ca -0.41 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1ysb h ASP 92 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1ysb h ASP 92 CO 0.28 0.15 -0.03 -0.03 -3.12 0.00 0.00 179.24 176.49 1ysb h MET 93 N 0.00 0.03 -0.24 3.56 4.05 -1.99 -1.42 114.93 118.93 1ysb h MET 93 Ca -0.00 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.32 1ysb h MET 93 Cb 0.30 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1ysb h MET 93 CO 0.02 0.71 -0.16 0.00 0.23 0.00 0.00 176.91 177.71 1ysb h THR 95 N 0.38 1.22 -0.45 0.00 2.02 -1.21 -2.13 112.91 112.74 1ysb h THR 95 Ca 0.07 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1ysb h THR 95 Cb 0.51 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1ysb h THR 95 CO 0.03 0.27 0.19 1.23 0.37 0.00 0.00 175.52 177.61 1ysb h GLY 96 N 0.73 0.68 0.90 2.16 0.00 -0.19 -1.32 103.07 106.03 1ysb h GLY 96 Ca 0.18 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1ysb h GLY 96 CO -0.01 0.31 0.01 0.00 0.00 0.00 0.00 176.54 176.84 1ysb h ALA 97 N 1.58 0.44 -0.80 3.60 0.00 -0.75 0.89 119.26 124.21 1ysb h ALA 97 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ysb h ALA 97 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ysb h ALA 97 CO -0.02 0.18 0.46 0.82 0.00 0.00 0.00 179.25 180.69 1ysb h ILE 98 N 0.37 1.23 -0.17 0.00 2.04 -1.00 -2.09 117.51 117.90 1ysb h ILE 98 Ca 0.09 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1ysb h ILE 98 Cb 0.43 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ysb h ILE 98 CO 0.01 0.25 -0.06 0.40 0.00 0.00 0.00 178.15 178.75 1ysb h ILE 99 N 1.11 1.30 -0.57 -0.67 2.04 -1.05 -2.01 117.51 117.67 1ysb h ILE 99 Ca 0.28 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1ysb h ILE 99 Cb -0.00 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1ysb h ILE 99 CO -0.05 0.32 0.35 -0.03 0.00 0.00 0.00 178.15 178.74 1ysb h MET 100 N 0.03 0.67 -0.00 2.37 4.05 -0.64 -2.32 114.93 119.10 1ysb h MET 100 Ca 0.04 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1ysb h MET 100 Cb 0.52 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1ysb h MET 100 CO 0.02 0.44 -0.04 0.66 0.23 0.00 0.00 176.91 178.22 1ysb n TYR 101 N -4.75 0.00 -2.05 1.39 4.01 -0.80 -4.93 117.16 110.02 1ysb n TYR 101 Ca 0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.69 1ysb n TYR 101 Cb 0.07 -0.40 -0.01 0.00 -0.31 0.00 0.00 39.34 38.69 1ysb n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ysb n GLY 102 N 1.43 0.14 3.61 2.72 0.00 -0.84 -4.44 105.19 107.81 1ysb n GLY 102 Ca 0.09 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1ysb n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ysb s ILE 103 N -2.45 3.58 0.44 -0.61 1.01 -0.82 -4.22 121.20 118.13 1ysb s ILE 103 Ca 0.00 0.61 0.10 0.00 0.00 0.00 0.00 60.65 61.36 1ysb s ILE 103 Cb 0.00 -3.70 0.27 0.00 0.01 0.00 0.00 42.46 39.04 1ysb s ILE 103 CO 0.00 -0.39 2.08 1.55 0.00 0.00 0.00 174.94 178.18 1ysb h PRO 104 N 11.92 0.37 -5.65 2.79 0.13 -1.75 -3.45 132.00 136.37 1ysb h PRO 104 Ca -0.33 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.24 1ysb h PRO 104 Cb 1.16 -0.08 -0.28 0.00 0.13 0.00 0.00 31.00 31.93 1ysb h PRO 104 CO 1.02 0.25 -0.83 1.03 -0.23 0.00 0.00 178.00 179.24 1ysb s ARG 105 N -5.36 1.31 -0.15 0.86 0.52 -1.24 -1.12 118.95 113.78 1ysb s ARG 105 Ca -0.07 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 1ysb s ARG 105 Cb 0.17 -1.30 0.04 0.00 0.52 0.00 0.00 34.95 34.38 1ysb s ARG 105 CO 0.71 0.35 -0.05 0.00 0.02 0.00 0.00 175.30 176.34 1ysb s VAL 107 N 1.70 4.49 -0.13 0.00 1.01 -0.57 -1.55 120.40 125.35 1ysb s VAL 107 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1ysb s VAL 107 Cb -0.15 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1ysb s VAL 107 CO -0.08 0.35 -0.03 -0.63 0.00 0.00 0.00 175.10 174.71 1ysb s ILE 108 N 1.39 3.96 0.03 2.22 1.01 0.15 -1.23 121.20 128.73 1ysb s ILE 108 Ca 0.05 -0.35 -0.25 0.00 0.00 0.00 0.00 60.65 60.10 1ysb s ILE 108 Cb -0.15 -2.71 -0.17 0.00 0.01 0.00 0.00 42.46 39.44 1ysb s ILE 108 CO 0.04 0.53 1.47 1.23 0.00 0.00 0.00 174.94 178.21 1ysb h GLY 109 N 6.17 -0.16 -3.23 6.18 0.00 -0.73 0.74 103.07 112.05 1ysb h GLY 109 Ca -0.38 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1ysb h GLY 109 CO 0.60 -0.06 0.19 -1.83 0.00 0.00 0.00 176.54 175.44 1ysb s GLU 110 N -5.22 1.22 -0.06 4.80 4.04 -1.04 0.19 118.70 122.62 1ysb s GLU 110 Ca -0.15 -0.32 0.20 0.00 0.04 0.00 0.00 54.97 54.74 1ysb s GLU 110 Cb 0.04 0.56 0.39 0.00 0.02 0.00 0.00 34.13 35.14 1ysb s GLU 110 CO 0.64 -0.50 1.17 0.27 -1.84 0.00 0.00 175.26 175.00 1ysb n ASN 111 N -0.08 1.18 -0.04 0.83 0.23 -1.26 -1.60 115.26 114.53 1ysb n ASN 111 Ca -0.17 -2.59 -0.22 0.00 -0.53 0.00 0.00 54.58 51.07 1ysb n ASN 111 Cb 0.63 -0.36 -0.13 0.00 -2.08 0.00 0.00 39.78 37.84 1ysb n ASN 111 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1ysb h VAL 112 N 5.05 0.77 0.00 3.53 2.07 -1.98 -3.37 116.25 122.30 1ysb h VAL 112 Ca -0.14 -2.28 -0.05 0.00 0.82 0.00 0.00 66.70 65.04 1ysb h VAL 112 Cb 1.58 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.75 1ysb h VAL 112 CO 0.06 0.66 -0.25 0.78 0.02 0.00 0.00 177.57 178.84 1ysb h ASN 113 N -0.37 0.00 -4.19 0.57 -0.26 -1.94 -3.46 115.58 105.94 1ysb h ASN 113 Ca -0.39 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.34 1ysb h ASN 113 Cb 1.74 0.00 -0.22 0.00 -1.06 0.00 0.00 38.32 38.78 1ysb h ASN 113 CO -0.03 0.25 0.26 0.12 -1.06 0.00 0.00 177.43 176.97 1ysb s PHE 114 N -3.24 -0.64 -0.29 1.19 5.36 -1.26 -5.12 117.98 113.98 1ysb s PHE 114 Ca 0.04 1.39 -0.14 0.00 -0.96 0.00 0.00 56.93 57.26 1ysb s PHE 114 Cb 0.07 0.35 0.13 0.00 -0.34 0.00 0.00 43.02 43.23 1ysb s PHE 114 CO 0.68 -0.42 0.81 0.21 -1.46 0.00 0.00 175.22 175.04 1ysb s LYS 115 N -0.31 0.51 0.45 10.12 2.20 -1.26 -4.31 119.74 127.13 1ysb s LYS 115 Ca -0.03 1.04 0.05 0.00 -0.36 0.00 0.00 55.97 56.67 1ysb s LYS 115 Cb -0.03 0.38 0.05 0.00 -1.51 0.00 0.00 37.83 36.72 1ysb s LYS 115 CO 0.03 -0.14 0.38 -1.13 -0.36 0.00 0.00 175.35 174.13 1ysb n SER 116 N 4.59 2.29 0.00 1.43 3.41 -1.26 -4.98 113.62 119.11 1ysb n SER 116 Ca -0.15 -2.47 0.08 0.00 -0.26 0.00 0.00 58.87 56.06 1ysb n SER 116 Cb 0.55 -0.08 0.35 0.00 -0.26 0.00 0.00 64.21 64.77 1ysb n SER 116 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ysb n LYS 117 N -1.61 0.01 0.10 4.33 5.02 -1.26 -3.10 118.16 121.64 1ysb n LYS 117 Ca 0.01 0.21 0.02 0.00 -2.02 0.00 0.00 58.31 56.53 1ysb n LYS 117 Cb 0.50 -1.50 0.36 0.00 -0.02 0.00 0.00 35.03 34.37 1ysb n LYS 117 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ysb h GLY 118 N 2.83 0.31 0.77 0.72 0.00 -1.86 -1.43 103.07 104.42 1ysb h GLY 118 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.17 1ysb h GLY 118 CO 0.00 0.18 0.18 -2.09 0.00 0.00 0.00 176.54 174.81 1ysb h GLU 119 N 0.27 0.37 -0.04 4.80 4.81 -1.74 -0.10 114.58 122.94 1ysb h GLU 119 Ca 0.06 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.05 1ysb h GLU 119 Cb 0.39 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1ysb h GLU 119 CO 0.02 0.24 -0.87 -0.22 -0.73 0.00 0.00 179.01 177.45 1ysb h LYS 120 N 0.38 0.48 -0.71 1.92 1.63 -1.76 -3.18 116.57 115.32 1ysb h LYS 120 Ca 0.17 -0.46 0.02 0.00 -0.85 0.00 0.00 60.65 59.53 1ysb h LYS 120 Cb 0.09 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1ysb h LYS 120 CO -0.13 1.11 0.47 -0.92 -3.45 0.00 0.00 179.45 176.53 1ysb h TYR 121 N 0.29 0.87 -0.89 1.91 3.20 -0.82 -0.29 116.97 121.24 1ysb h TYR 121 Ca -0.07 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.87 1ysb h TYR 121 Cb 1.49 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 39.42 1ysb h TYR 121 CO 0.06 0.53 0.56 -0.07 -1.64 0.00 0.00 178.16 177.60 1ysb h LEU 122 N 0.92 0.92 -0.48 2.82 3.38 -1.00 0.41 115.31 122.27 1ysb h LEU 122 Ca 0.27 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 1ysb h LEU 122 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1ysb h LEU 122 CO -0.07 0.61 -0.30 1.56 0.09 0.00 0.00 178.44 180.33 1ysb h GLN 123 N 1.07 0.93 -0.51 1.13 4.20 -1.19 -0.55 115.11 120.19 1ysb h GLN 123 Ca 0.37 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1ysb h GLN 123 Cb 0.08 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1ysb h GLN 123 CO -0.14 1.10 0.25 1.15 -0.67 0.00 0.00 178.83 180.51 1ysb h THR 124 N 0.78 1.17 -0.17 -0.54 2.02 -0.36 -1.69 112.91 114.12 1ysb h THR 124 Ca 0.08 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1ysb h THR 124 Cb 0.88 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1ysb h THR 124 CO 0.08 0.20 0.00 0.54 0.37 0.00 0.00 175.52 176.71 1ysb n ARG 125 N -4.38 1.44 -0.44 6.66 5.12 0.06 -4.91 116.66 120.22 1ysb n ARG 125 Ca 0.04 -0.68 0.00 0.00 -1.93 0.00 0.00 57.85 55.28 1ysb n ARG 125 Cb 0.12 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 1ysb n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ysb n GLY 126 N 0.86 0.76 3.89 -0.13 0.00 -0.64 -5.06 105.19 104.88 1ysb n GLY 126 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1ysb n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ysb s HIS 127 N -2.26 3.46 -0.12 1.61 3.76 -0.24 -5.00 115.29 116.50 1ysb s HIS 127 Ca 0.00 0.83 -0.18 0.00 -0.15 0.00 0.00 55.06 55.55 1ysb s HIS 127 Cb 0.00 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 1ysb s HIS 127 CO 0.00 0.09 0.49 -2.00 -0.85 0.00 0.00 174.74 172.47 1ysb s GLU 128 N -3.51 4.34 -0.12 1.40 2.12 -0.27 -4.17 118.70 118.49 1ysb s GLU 128 Ca 0.47 0.47 0.02 0.00 0.36 0.00 0.00 54.97 56.29 1ysb s GLU 128 Cb -0.11 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1ysb s GLU 128 CO 0.29 0.14 -0.19 0.08 -0.54 0.00 0.00 175.26 175.04 1ysb s VAL 129 N 0.67 2.48 -0.11 3.70 1.01 -1.26 -1.37 120.40 125.52 1ysb s VAL 129 Ca 0.26 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1ysb s VAL 129 Cb -0.15 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1ysb s VAL 129 CO 0.11 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.90 1ysb s VAL 130 N 0.40 1.58 -0.27 2.92 1.01 -0.59 -5.01 120.40 120.43 1ysb s VAL 130 Ca -0.14 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1ysb s VAL 130 Cb -0.17 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1ysb s VAL 130 CO 0.07 0.46 0.01 -0.69 0.00 0.00 0.00 175.10 174.94 1ysb s VAL 131 N 0.99 3.44 0.12 2.92 1.01 -1.26 0.30 120.40 127.91 1ysb s VAL 131 Ca -0.06 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1ysb s VAL 131 Cb -0.15 -2.76 -0.21 0.00 0.00 0.00 0.00 36.38 33.25 1ysb s VAL 131 CO -0.02 0.14 1.27 0.58 0.00 0.00 0.00 175.10 177.07 1ysb h VAL 132 N 6.00 1.67 -5.34 2.92 2.07 -0.96 -3.49 116.25 119.12 1ysb h VAL 132 Ca -0.32 -3.31 -0.28 0.00 0.82 0.00 0.00 66.70 63.60 1ysb h VAL 132 Cb 1.12 2.83 0.17 0.00 -1.52 0.00 0.00 31.29 33.89 1ysb h VAL 132 CO 0.59 0.95 -0.74 -0.67 0.02 0.00 0.00 177.57 177.72 1ysb n ASP 133 N -3.40 -3.32 -4.62 0.57 4.64 0.13 -4.93 116.55 105.62 1ysb n ASP 133 Ca -0.01 -0.60 -0.43 0.00 -1.38 0.00 0.00 54.79 52.37 1ysb n ASP 133 Cb 0.94 -4.81 -0.02 0.00 -1.04 0.00 0.00 41.12 36.19 1ysb n ASP 133 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1ysb s ASP 134 N -3.99 6.56 0.47 1.67 -1.08 0.12 -4.92 116.67 115.50 1ysb s ASP 134 Ca 0.13 1.00 0.19 0.00 -0.52 0.00 0.00 52.55 53.35 1ysb s ASP 134 Cb -0.02 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 40.04 1ysb s ASP 134 CO 0.68 -1.22 2.00 -0.33 0.52 0.00 0.00 175.17 176.82 1ysb h GLU 135 N 9.75 0.00 -0.37 4.34 4.39 -1.92 -2.15 114.58 128.62 1ysb h GLU 135 Ca -0.26 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 1ysb h GLU 135 Cb 1.10 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 1ysb h GLU 135 CO 1.06 0.18 0.13 0.00 -1.16 0.00 0.00 179.01 179.23 1ysb h ARG 136 N 0.00 0.57 -0.21 2.33 3.08 -1.98 0.02 114.38 118.19 1ysb h ARG 136 Ca -0.00 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1ysb h ARG 136 Cb 0.37 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1ysb h ARG 136 CO 0.02 0.57 0.00 0.00 -1.07 0.00 0.00 179.97 179.49 1ysb h LYS 138 N 0.14 0.66 -0.44 0.00 3.64 -1.25 -1.09 116.57 118.23 1ysb h LYS 138 Ca 0.06 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1ysb h LYS 138 Cb 0.40 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1ysb h LYS 138 CO 0.01 0.44 -0.13 0.87 -2.27 0.00 0.00 179.45 178.37 1ysb h LYS 139 N 0.68 0.81 -0.20 1.90 1.57 -0.98 -0.87 116.57 119.47 1ysb h LYS 139 Ca 0.23 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1ysb h LYS 139 Cb 0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1ysb h LYS 139 CO -0.10 0.90 -0.06 1.25 -0.57 0.00 0.00 179.45 180.87 1ysb h LEU 140 N 0.73 0.40 -0.56 2.94 5.85 -1.11 -1.89 115.31 121.67 1ysb h LEU 140 Ca 0.12 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 1ysb h LEU 140 Cb 0.62 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1ysb h LEU 140 CO 0.04 0.68 0.04 -0.03 -0.34 0.00 0.00 178.44 178.84 1ysb h MET 141 N 0.12 0.95 -0.62 1.25 4.05 -1.16 -2.68 114.93 116.84 1ysb h MET 141 Ca 0.05 -0.28 -0.02 0.00 -0.28 0.00 0.00 59.70 59.17 1ysb h MET 141 Cb 0.51 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1ysb h MET 141 CO 0.02 0.94 0.30 -0.22 0.23 0.00 0.00 176.91 178.18 1ysb h LYS 142 N 0.84 0.88 -0.52 0.39 1.63 -1.12 -0.92 116.57 117.74 1ysb h LYS 142 Ca 0.16 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1ysb h LYS 142 Cb 0.48 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1ysb h LYS 142 CO 0.02 0.68 0.17 0.37 -3.45 0.00 0.00 179.45 177.23 1ysb h GLN 143 N 0.88 0.81 -0.21 1.90 4.15 -1.10 -0.02 115.11 121.51 1ysb h GLN 143 Ca 0.22 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1ysb h GLN 143 Cb 0.09 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1ysb h GLN 143 CO -0.03 0.74 0.08 0.35 -1.93 0.00 0.00 178.83 178.05 1ysb h PHE 144 N 0.71 0.33 -0.66 3.99 3.57 -1.10 -1.87 116.94 121.91 1ysb h PHE 144 Ca 0.17 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1ysb h PHE 144 Cb 0.27 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1ysb h PHE 144 CO 0.01 0.37 0.38 0.82 -2.23 0.00 0.00 178.31 177.66 1ysb h ILE 145 N 0.19 1.19 -0.34 1.41 2.04 -0.99 0.27 117.51 121.28 1ysb h ILE 145 Ca 0.07 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1ysb h ILE 145 Cb 0.18 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1ysb h ILE 145 CO -0.01 0.20 0.03 0.44 0.00 0.00 0.00 178.15 178.82 1ysb h ASP 146 N 0.91 0.55 0.59 1.72 3.45 -0.71 -2.60 116.42 120.33 1ysb h ASP 146 Ca 0.24 -0.28 -0.28 0.00 0.43 0.00 0.00 57.03 57.14 1ysb h ASP 146 Cb -0.01 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.59 1ysb h ASP 146 CO -0.04 0.69 -1.46 1.05 -1.57 0.00 0.00 179.24 177.91 1ysb h GLU 147 N 0.39 0.11 -2.10 3.56 4.11 -1.05 -3.40 114.58 116.21 1ysb h GLU 147 Ca 0.10 -0.19 -0.52 0.00 0.07 0.00 0.00 59.36 58.82 1ysb h GLU 147 Cb 0.39 0.07 -0.41 0.00 0.50 0.00 0.00 28.75 29.30 1ysb h GLU 147 CO 0.01 0.91 -1.01 0.54 0.07 0.00 0.00 179.01 179.53 1ysb n ARG 148 N -3.31 1.76 -0.35 1.06 1.74 0.93 -4.95 116.66 113.54 1ysb n ARG 148 Ca -0.13 -3.90 0.10 0.00 -0.77 0.00 0.00 57.85 53.15 1ysb n ARG 148 Cb 1.02 -1.89 0.28 0.00 -1.02 0.00 0.00 32.46 30.85 1ysb n ARG 148 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1ysb h PRO 149 N 2.99 0.87 -0.10 5.56 0.13 -1.61 -1.70 132.00 138.14 1ysb h PRO 149 Ca 0.11 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 65.09 1ysb h PRO 149 Cb 0.81 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1ysb h PRO 149 CO 0.61 0.57 -0.38 1.96 -0.23 0.00 0.00 178.00 180.54 1ysb h GLN 150 N 0.89 0.20 -0.13 0.86 1.08 -1.92 -0.83 115.11 115.27 1ysb h GLN 150 Ca 0.52 -0.09 -0.15 0.00 -1.45 0.00 0.00 58.65 57.48 1ysb h GLN 150 Cb 0.65 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 1ysb h GLN 150 CO -0.30 0.56 -0.57 -0.44 -0.95 0.00 0.00 178.83 177.13 1ysb h ASP 151 N 0.17 0.44 -0.06 1.46 3.32 -1.73 -1.67 116.42 118.36 1ysb h ASP 151 Ca 0.02 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1ysb h ASP 151 Cb 0.75 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1ysb h ASP 151 CO 0.06 0.92 -0.01 -0.25 -1.72 0.00 0.00 179.24 178.24 1ysb h TRP 152 N 0.30 0.12 -1.00 4.55 -0.00 -1.12 -2.78 115.95 116.03 1ysb h TRP 152 Ca 0.00 -0.02 0.11 0.00 -0.00 0.00 0.00 58.89 58.97 1ysb h TRP 152 Cb 1.09 -0.03 -0.08 0.00 -0.00 0.00 0.00 29.16 30.14 1ysb h TRP 152 CO 0.03 0.42 0.63 0.74 -0.00 0.00 0.00 178.44 180.26 1ysb h PHE 153 N -0.21 1.15 -0.83 2.65 -1.00 -1.05 -1.32 116.94 116.32 1ysb h PHE 153 Ca 0.02 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 1ysb h PHE 153 Cb 0.38 -0.37 -0.04 0.00 3.61 0.00 0.00 35.95 39.53 1ysb h PHE 153 CO 0.04 0.48 0.47 1.49 -1.61 0.00 0.00 178.31 179.18 1ysb h GLU 154 N 1.03 1.15 0.00 1.51 4.81 -1.15 0.59 114.58 122.52 1ysb h GLU 154 Ca 0.48 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1ysb h GLU 154 Cb 0.41 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1ysb h GLU 154 CO -0.25 0.84 -0.05 0.22 -0.73 0.00 0.00 179.01 179.04 1ysb h ASP 155 N 1.16 0.00 -0.16 1.04 3.58 -0.96 -2.09 116.42 118.99 1ysb h ASP 155 Ca 0.30 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 1ysb h ASP 155 Cb 0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1ysb h ASP 155 CO -0.05 0.05 -0.03 2.30 -2.88 0.00 0.00 179.24 178.63 1ysb n ILE 156 N -3.80 2.17 -1.57 2.25 -5.35 -0.81 -4.97 119.36 107.28 1ysb n ILE 156 Ca -0.03 -2.19 -0.15 0.00 -0.27 0.00 0.00 62.75 60.12 1ysb n ILE 156 Cb 0.14 -0.26 -0.06 0.00 -1.74 0.00 0.00 39.64 37.73 1ysb n ILE 156 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ysb n GLY 157 N -0.95 1.30 0.77 3.28 0.00 -0.70 -5.06 105.19 103.82 1ysb n GLY 157 Ca 0.21 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1ysb n GLY 157 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50