#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8u s PHE 2 N 0.00 0.22 -0.13 6.00 0.08 -1.26 -1.08 117.98 121.82 1a8u s PHE 2 Ca 0.00 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.62 1a8u s PHE 2 Cb 0.00 -0.17 0.01 0.00 -0.57 0.00 0.00 43.02 42.29 1a8u s PHE 2 CO 0.00 -0.17 -0.22 0.42 -0.10 0.00 0.00 175.22 175.14 1a8u s ILE 3 N -1.31 2.10 0.04 0.64 1.01 -0.11 -4.92 121.20 118.65 1a8u s ILE 3 Ca -0.14 -0.98 -0.28 0.00 0.00 0.00 0.00 60.65 59.25 1a8u s ILE 3 Cb -0.09 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1a8u s ILE 3 CO -0.01 0.55 0.89 -0.89 0.00 0.00 0.00 174.94 175.48 1a8u s THR 4 N 0.68 4.75 -0.18 2.92 2.01 -1.26 -0.06 115.64 124.50 1a8u s THR 4 Ca -0.10 1.89 0.02 0.00 0.31 0.00 0.00 61.69 63.81 1a8u s THR 4 Cb -0.16 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.11 1a8u s THR 4 CO 0.01 0.26 0.33 1.33 -0.69 0.00 0.00 174.62 175.86 1a8u n VAL 5 N 3.30 0.00 -3.43 3.82 0.24 0.28 -4.96 118.33 117.58 1a8u n VAL 5 Ca 0.02 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1a8u n VAL 5 Cb 0.50 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 1a8u n VAL 5 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a8u n GLY 6 N 0.58 -1.23 3.09 7.63 0.00 -1.19 -4.97 105.19 109.10 1a8u n GLY 6 Ca 0.01 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 1a8u n GLY 6 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a8u s GLN 7 N -0.86 0.98 -0.23 1.61 2.00 -1.26 -0.24 119.66 121.65 1a8u s GLN 7 Ca 0.00 -0.51 -0.01 0.00 -2.00 0.00 0.00 55.36 52.84 1a8u s GLN 7 Cb 0.00 -0.95 0.07 0.00 0.80 0.00 0.00 33.01 32.92 1a8u s GLN 7 CO 0.00 0.26 0.01 -2.00 -0.50 0.00 0.00 175.29 173.05 1a8u s GLU 8 N -0.49 1.08 5.10 1.67 2.12 0.96 -4.86 118.70 124.27 1a8u s GLU 8 Ca 0.04 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.60 1a8u s GLU 8 Cb -0.05 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 32.02 1a8u s GLU 8 CO -0.00 -0.67 0.00 0.09 -0.54 0.00 0.00 175.26 174.13 1a8u n ASN 9 N 4.85 0.00 0.00 -1.70 3.02 -1.26 -0.50 115.26 119.67 1a8u n ASN 9 Ca -0.09 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.61 1a8u n ASN 9 Cb 0.45 0.00 0.91 0.00 -0.61 0.00 0.00 39.78 40.53 1a8u n ASN 9 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1a8u n SER 10 N 4.26 0.00 -4.59 6.41 3.41 -1.26 -4.91 113.62 116.95 1a8u n SER 10 Ca 0.00 -1.04 -0.26 0.00 -0.26 0.00 0.00 58.87 57.31 1a8u n SER 10 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1a8u n SER 10 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1a8u s THR 11 N -2.00 3.28 0.32 6.66 -4.23 0.35 -5.12 115.64 114.89 1a8u s THR 11 Ca 0.46 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 59.25 1a8u s THR 11 Cb 0.21 -2.64 -0.06 0.00 1.34 0.00 0.00 72.50 71.36 1a8u s THR 11 CO 0.35 -0.13 0.61 -0.94 -0.54 0.00 0.00 174.62 173.97 1a8u s SER 12 N -2.91 6.47 -0.40 3.99 1.04 -1.26 -0.03 113.70 120.60 1a8u s SER 12 Ca 0.26 0.83 -0.14 0.00 0.48 0.00 0.00 55.95 57.37 1a8u s SER 12 Cb -0.09 -2.19 0.02 0.00 0.10 0.00 0.00 66.02 63.86 1a8u s SER 12 CO 0.16 -0.25 0.28 -0.63 0.98 0.00 0.00 173.24 173.78 1a8u s ILE 13 N -2.15 5.17 -0.10 -1.02 1.01 0.66 -4.78 121.20 119.99 1a8u s ILE 13 Ca 0.46 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1a8u s ILE 13 Cb -0.11 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1a8u s ILE 13 CO 0.30 -0.26 -0.15 -1.81 0.00 0.00 0.00 174.94 173.02 1a8u s ASP 14 N 1.67 3.88 -0.20 3.58 1.01 -1.26 -0.56 116.67 124.79 1a8u s ASP 14 Ca 0.05 -0.32 -0.09 0.00 0.71 0.00 0.00 52.55 52.90 1a8u s ASP 14 Cb -0.19 -1.31 -0.05 0.00 1.01 0.00 0.00 42.92 42.38 1a8u s ASP 14 CO 0.10 0.22 0.11 -0.76 0.21 0.00 0.00 175.17 175.05 1a8u s LEU 15 N -0.01 4.04 0.35 1.23 1.43 0.92 -1.01 118.68 125.63 1a8u s LEU 15 Ca -0.04 0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.93 1a8u s LEU 15 Cb -0.14 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 1a8u s LEU 15 CO 0.04 0.16 1.27 -0.47 0.23 0.00 0.00 176.35 177.59 1a8u s TYR 16 N 0.45 3.06 0.14 0.29 5.04 -1.26 -0.93 117.35 124.13 1a8u s TYR 16 Ca 0.06 1.46 -0.14 0.00 -2.44 0.00 0.00 57.07 56.01 1a8u s TYR 16 Cb -0.12 -3.61 0.02 0.00 0.35 0.00 0.00 41.96 38.60 1a8u s TYR 16 CO -0.01 -1.72 0.37 1.52 -1.34 0.00 0.00 175.55 174.37 1a8u s TYR 17 N -1.19 -0.02 0.10 4.97 1.13 -0.24 -0.69 117.35 121.41 1a8u s TYR 17 Ca 0.51 -0.33 0.03 0.00 -1.41 0.00 0.00 57.07 55.87 1a8u s TYR 17 Cb -0.38 0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.62 1a8u s TYR 17 CO 0.50 -0.72 -0.10 -1.21 -2.51 0.00 0.00 175.55 171.51 1a8u s GLU 18 N -3.86 0.84 -0.24 -3.49 2.02 -0.40 -3.67 118.70 109.90 1a8u s GLU 18 Ca 0.07 -1.16 -0.03 0.00 0.02 0.00 0.00 54.97 53.87 1a8u s GLU 18 Cb 0.02 -0.50 0.11 0.00 0.10 0.00 0.00 34.13 33.87 1a8u s GLU 18 CO -0.08 0.07 0.26 0.34 0.02 0.00 0.00 175.26 175.87 1a8u s ASP 19 N -2.48 1.50 0.15 -0.19 -1.08 -1.26 -1.81 116.67 111.50 1a8u s ASP 19 Ca 0.06 -0.43 0.07 0.00 -0.52 0.00 0.00 52.55 51.72 1a8u s ASP 19 Cb -0.02 0.46 -0.04 0.00 -1.46 0.00 0.00 42.92 41.86 1a8u s ASP 19 CO -0.00 -0.35 -0.16 -1.00 0.52 0.00 0.00 175.17 174.18 1a8u s HIS 20 N 2.35 1.60 0.00 -5.34 3.76 -0.43 -4.99 115.29 112.25 1a8u s HIS 20 Ca 0.08 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1a8u s HIS 20 Cb -0.15 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 32.73 1a8u s HIS 20 CO -0.21 0.24 0.00 0.41 -0.85 0.00 0.00 174.74 174.32 1a8u n GLY 21 N 0.32 -1.25 3.39 -2.22 0.00 -1.26 -0.58 105.19 103.58 1a8u n GLY 21 Ca -0.14 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 1a8u n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8u s ALA 22 N -1.14 -1.33 0.00 4.61 0.00 -1.20 -4.78 121.76 117.92 1a8u s ALA 22 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1a8u s ALA 22 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1a8u s ALA 22 CO 0.00 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1a8u n GLY 23 N 0.01 0.35 3.73 0.00 0.00 -1.26 -3.05 105.19 104.96 1a8u n GLY 23 Ca -0.17 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.17 1a8u n GLY 23 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a8u s GLN 24 N 0.00 4.19 0.19 1.61 0.74 -1.26 -4.14 119.66 120.99 1a8u s GLN 24 Ca 0.00 2.44 -0.31 0.00 0.05 0.00 0.00 55.36 57.54 1a8u s GLN 24 Cb 0.00 -3.11 -0.09 0.00 1.10 0.00 0.00 33.01 30.91 1a8u s GLN 24 CO 0.00 -0.60 1.42 -2.14 -0.55 0.00 0.00 175.29 173.42 1a8u s PRO 25 N 0.56 4.30 -0.17 1.67 0.02 -1.26 -1.68 135.00 138.43 1a8u s PRO 25 Ca 0.68 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.90 1a8u s PRO 25 Cb -0.45 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 30.93 1a8u s PRO 25 CO 0.37 -0.42 -0.12 0.08 -0.33 0.00 0.00 177.00 176.58 1a8u s VAL 26 N 0.48 1.57 -0.28 3.83 1.01 0.10 -0.77 120.40 126.34 1a8u s VAL 26 Ca 0.62 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 1a8u s VAL 26 Cb -0.40 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1a8u s VAL 26 CO 0.37 0.31 0.16 -0.69 0.00 0.00 0.00 175.10 175.25 1a8u s VAL 27 N 1.46 5.03 -0.21 2.92 1.01 0.60 -0.76 120.40 130.45 1a8u s VAL 27 Ca 0.02 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1a8u s VAL 27 Cb -0.14 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1a8u s VAL 27 CO -0.09 0.25 0.07 -0.76 0.00 0.00 0.00 175.10 174.57 1a8u s LEU 28 N 1.72 3.72 -0.30 3.92 1.43 -0.22 -0.48 118.68 128.46 1a8u s LEU 28 Ca 0.07 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1a8u s LEU 28 Cb -0.16 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.17 1a8u s LEU 28 CO 0.09 0.10 -0.03 -0.63 0.23 0.00 0.00 176.35 176.11 1a8u s ILE 29 N 0.84 2.42 1.05 -0.59 1.01 0.19 -3.97 121.20 122.15 1a8u s ILE 29 Ca 0.04 -1.82 -0.14 0.00 0.00 0.00 0.00 60.65 58.73 1a8u s ILE 29 Cb -0.14 -2.53 0.21 0.00 0.01 0.00 0.00 42.46 40.02 1a8u s ILE 29 CO 0.02 -0.24 1.10 -1.38 0.00 0.00 0.00 174.94 174.44 1a8u s HIS 30 N 1.07 1.74 0.59 3.97 -3.43 -1.26 -1.24 115.29 116.73 1a8u s HIS 30 Ca -0.02 0.86 0.09 0.00 -0.80 0.00 0.00 55.06 55.19 1a8u s HIS 30 Cb -0.20 -3.32 0.09 0.00 -1.43 0.00 0.00 32.58 27.72 1a8u s HIS 30 CO -0.05 -3.15 0.74 0.20 -2.00 0.00 0.00 174.74 170.48 1a8u s GLY 31 N -3.57 1.84 0.32 -1.38 0.00 -1.15 -2.76 107.32 100.63 1a8u s GLY 31 Ca 0.67 -2.00 -0.26 0.00 0.00 0.00 0.00 44.72 43.13 1a8u s GLY 31 CO 0.57 -1.76 0.96 -0.12 0.00 0.00 0.00 173.10 172.75 1a8u s PHE 32 N -2.73 3.67 -0.62 1.90 2.19 -1.26 -1.26 117.98 119.87 1a8u s PHE 32 Ca 0.57 1.78 0.01 0.00 0.33 0.00 0.00 56.93 59.61 1a8u s PHE 32 Cb -0.05 -2.97 0.41 0.00 -1.31 0.00 0.00 43.02 39.10 1a8u s PHE 32 CO 0.36 0.11 1.70 -0.35 1.83 0.00 0.00 175.22 178.86 1a8u n PRO 33 N 0.63 3.02 0.00 10.12 -0.04 -1.26 -5.00 135.00 142.47 1a8u n PRO 33 Ca 0.02 -3.77 0.00 0.00 -0.04 0.00 0.00 63.50 59.70 1a8u n PRO 33 Cb 0.49 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1a8u n PRO 33 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1a8u n LEU 34 N -0.66 0.00 -3.91 1.53 4.77 -0.39 -3.73 117.00 114.61 1a8u n LEU 34 Ca 0.52 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.39 1a8u n LEU 34 Cb 0.57 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1a8u n LEU 34 CO 0.54 0.00 0.39 -0.94 -1.33 0.00 0.00 177.39 176.04 1a8u s SER 35 N -1.00 0.29 0.52 -1.43 1.04 -1.26 -3.61 113.70 108.25 1a8u s SER 35 Ca 0.00 -1.23 0.26 0.00 0.48 0.00 0.00 55.95 55.46 1a8u s SER 35 Cb 0.00 0.78 1.39 0.00 0.10 0.00 0.00 66.02 68.29 1a8u s SER 35 CO 0.00 -1.53 1.96 1.23 0.98 0.00 0.00 173.24 175.88 1a8u h GLY 36 N 2.04 0.07 2.00 7.32 0.00 -1.94 -1.06 103.07 111.51 1a8u h GLY 36 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1a8u h GLY 36 CO 0.39 0.00 0.00 0.45 0.00 0.00 0.00 176.54 177.38 1a8u h HIS 37 N 0.04 0.00 0.00 5.60 3.86 -1.96 -2.18 115.15 120.51 1a8u h HIS 37 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1a8u h HIS 37 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1a8u h HIS 37 CO -0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 1a8u n SER 38 N -2.60 0.35 -0.78 2.45 3.41 -0.40 -2.02 113.62 114.03 1a8u n SER 38 Ca -0.00 0.60 0.06 0.00 -0.26 0.00 0.00 58.87 59.26 1a8u n SER 38 Cb 0.16 -0.67 0.17 0.00 -0.26 0.00 0.00 64.21 63.62 1a8u n SER 38 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1a8u n TRP 39 N -1.90 0.59 -0.27 7.33 7.02 -0.82 -4.61 117.44 124.78 1a8u n TRP 39 Ca 0.02 -0.27 0.18 0.00 -1.02 0.00 0.00 57.50 56.42 1a8u n TRP 39 Cb 0.17 -0.05 0.48 0.00 -2.42 0.00 0.00 31.31 29.49 1a8u n TRP 39 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1a8u h GLU 40 N 2.18 0.46 -0.08 -0.99 4.11 -1.62 0.27 114.58 118.90 1a8u h GLU 40 Ca 0.00 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.24 1a8u h GLU 40 Cb 0.62 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1a8u h GLU 40 CO 0.04 0.30 -0.65 0.00 0.07 0.00 0.00 179.01 178.77 1a8u h ARG 41 N 0.47 0.32 0.01 1.06 3.08 -1.87 -1.60 114.38 115.85 1a8u h ARG 41 Ca 0.50 -0.24 -0.26 0.00 0.07 0.00 0.00 59.98 60.06 1a8u h ARG 41 Cb 1.16 0.04 0.02 0.00 0.08 0.00 0.00 29.97 31.27 1a8u h ARG 41 CO -0.22 0.86 -1.04 1.96 -1.07 0.00 0.00 179.97 180.45 1a8u h GLN 42 N 0.23 0.62 -0.56 0.04 7.50 -1.13 -3.06 115.11 118.74 1a8u h GLN 42 Ca -0.01 -0.68 0.01 0.00 0.50 0.00 0.00 58.65 58.46 1a8u h GLN 42 Cb 1.18 0.20 -0.03 0.00 0.05 0.00 0.00 27.48 28.88 1a8u h GLN 42 CO 0.11 1.28 0.37 0.77 -1.50 0.00 0.00 178.83 179.85 1a8u h SER 43 N 0.34 0.64 -0.42 1.46 0.02 -0.55 0.16 113.55 115.20 1a8u h SER 43 Ca -0.12 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1a8u h SER 43 Cb 1.70 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.06 1a8u h SER 43 CO 0.20 0.46 0.25 0.00 -1.14 0.00 0.00 176.83 176.60 1a8u h ALA 44 N 1.21 0.54 -0.71 3.77 0.00 -1.35 0.19 119.26 122.90 1a8u h ALA 44 Ca 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1a8u h ALA 44 Cb -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1a8u h ALA 44 CO -0.05 0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.46 1a8u h ALA 45 N 1.10 1.04 -0.26 0.00 0.00 -1.33 -1.43 119.26 118.39 1a8u h ALA 45 Ca 0.15 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1a8u h ALA 45 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1a8u h ALA 45 CO -0.03 0.64 -0.53 -0.07 0.00 0.00 0.00 179.25 179.27 1a8u h LEU 46 N 1.06 0.83 -0.66 0.00 3.38 -0.37 -1.61 115.31 117.94 1a8u h LEU 46 Ca 0.23 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1a8u h LEU 46 Cb 0.30 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1a8u h LEU 46 CO -0.01 1.20 0.23 -0.07 0.09 0.00 0.00 178.44 179.88 1a8u h LEU 47 N 0.58 0.94 -1.59 1.67 3.38 -0.84 -1.55 115.31 117.89 1a8u h LEU 47 Ca 0.02 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1a8u h LEU 47 Cb 1.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1a8u h LEU 47 CO 0.11 0.88 -0.22 0.44 0.09 0.00 0.00 178.44 179.74 1a8u h ASP 48 N 0.94 0.00 -0.00 -0.43 3.32 -1.03 -2.10 116.42 117.12 1a8u h ASP 48 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1a8u h ASP 48 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1a8u h ASP 48 CO -0.01 0.22 -0.00 0.00 -1.72 0.00 0.00 179.24 177.72 1a8u n ALA 49 N -2.38 2.62 -1.30 3.45 0.00 -0.63 -4.93 120.51 117.35 1a8u n ALA 49 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1a8u n ALA 49 Cb 0.31 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1a8u n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a8u n GLY 50 N 1.11 1.00 3.76 0.00 0.00 -0.79 -5.06 105.19 105.20 1a8u n GLY 50 Ca 0.21 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 1a8u n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a8u s TYR 51 N -2.15 2.98 -0.22 1.61 2.02 -0.63 -4.39 117.35 116.56 1a8u s TYR 51 Ca 0.00 -0.13 -0.17 0.00 -0.37 0.00 0.00 57.07 56.40 1a8u s TYR 51 Cb 0.00 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 1a8u s TYR 51 CO 0.00 0.55 0.47 0.50 -1.57 0.00 0.00 175.55 175.49 1a8u s ARG 52 N -3.60 4.14 -0.23 -0.62 3.52 -0.68 -3.26 118.95 118.23 1a8u s ARG 52 Ca 0.32 0.29 -0.06 0.00 -0.13 0.00 0.00 55.73 56.15 1a8u s ARG 52 Cb -0.08 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 1a8u s ARG 52 CO 0.23 -0.18 0.04 0.08 -0.81 0.00 0.00 175.30 174.66 1a8u s VAL 53 N 1.74 4.16 -0.13 7.11 1.01 0.25 0.03 120.40 134.56 1a8u s VAL 53 Ca 0.21 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1a8u s VAL 53 Cb -0.15 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 1a8u s VAL 53 CO 0.09 0.38 -0.17 -0.63 0.00 0.00 0.00 175.10 174.77 1a8u s ILE 54 N 1.33 2.64 0.13 2.22 1.09 0.06 -1.31 121.20 127.36 1a8u s ILE 54 Ca 0.05 -0.80 0.08 0.00 -1.10 0.00 0.00 60.65 58.88 1a8u s ILE 54 Cb -0.15 -2.09 -0.04 0.00 -1.06 0.00 0.00 42.46 39.13 1a8u s ILE 54 CO 0.02 0.53 -0.20 0.42 -0.10 0.00 0.00 174.94 175.61 1a8u s THR 55 N 0.53 1.78 0.11 2.92 -4.23 -0.75 -1.06 115.64 114.93 1a8u s THR 55 Ca -0.11 -1.71 -0.09 0.00 -1.18 0.00 0.00 61.69 58.61 1a8u s THR 55 Cb -0.16 -1.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.98 1a8u s THR 55 CO 0.04 -0.16 0.21 -0.72 -0.54 0.00 0.00 174.62 173.45 1a8u s TYR 56 N -1.53 0.22 -0.21 3.99 1.13 -1.25 -1.28 117.35 118.42 1a8u s TYR 56 Ca 0.11 -0.64 -0.09 0.00 -1.41 0.00 0.00 57.07 55.04 1a8u s TYR 56 Cb -0.08 -0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.66 1a8u s TYR 56 CO 0.05 -0.58 0.11 -0.51 -2.51 0.00 0.00 175.55 172.11 1a8u s ASP 57 N -2.89 5.92 0.61 -0.18 1.01 0.13 -3.94 116.67 117.34 1a8u s ASP 57 Ca 0.08 0.12 -0.19 0.00 0.71 0.00 0.00 52.55 53.27 1a8u s ASP 57 Cb 0.05 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 1a8u s ASP 57 CO -0.08 0.13 1.11 -1.14 0.21 0.00 0.00 175.17 175.40 1a8u n ARG 58 N 3.82 1.05 -1.66 8.23 0.63 -1.26 -4.38 116.66 123.09 1a8u n ARG 58 Ca -0.16 0.41 -0.46 0.00 -0.92 0.00 0.00 57.85 56.72 1a8u n ARG 58 Cb 0.52 -2.32 -0.03 0.00 0.45 0.00 0.00 32.46 31.08 1a8u n ARG 58 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1a8u n ARG 59 N -1.28 1.94 -0.44 -0.14 1.85 -1.26 -0.96 116.66 116.37 1a8u n ARG 59 Ca 0.14 0.69 0.00 0.00 -1.00 0.00 0.00 57.85 57.68 1a8u n ARG 59 Cb 0.47 -2.35 0.00 0.00 -1.05 0.00 0.00 32.46 29.53 1a8u n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a8u n GLY 60 N 2.35 1.23 3.35 2.89 0.00 -0.07 -4.99 105.19 109.96 1a8u n GLY 60 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1a8u n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a8u s PHE 61 N -3.11 1.81 0.00 1.61 0.08 -0.13 -0.52 117.98 117.72 1a8u s PHE 61 Ca 0.00 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.55 1a8u s PHE 61 Cb 0.00 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 1a8u s PHE 61 CO 0.00 0.38 0.00 0.41 -0.10 0.00 0.00 175.22 175.91 1a8u n GLY 62 N -0.11 3.43 1.33 4.36 0.00 -1.24 -1.77 105.19 111.19 1a8u n GLY 62 Ca -0.10 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.87 1a8u n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a8u n GLN 63 N 13.89 3.31 -1.96 1.61 6.02 -1.26 -4.58 117.38 134.41 1a8u n GLN 63 Ca 0.00 -2.70 -0.30 0.00 -0.01 0.00 0.00 57.00 53.99 1a8u n GLN 63 Cb 0.00 -1.71 0.04 0.00 1.02 0.00 0.00 30.24 29.59 1a8u n GLN 63 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1a8u s SER 64 N -1.03 5.46 0.90 1.08 0.01 -0.73 -4.47 113.70 114.92 1a8u s SER 64 Ca 0.46 1.06 -0.13 0.00 1.31 0.00 0.00 55.95 58.65 1a8u s SER 64 Cb 0.28 -1.89 0.06 0.00 0.21 0.00 0.00 66.02 64.68 1a8u s SER 64 CO 0.24 -1.30 0.65 -1.20 0.41 0.00 0.00 173.24 172.04 1a8u n SER 65 N -2.94 -1.17 -3.17 2.44 7.64 -0.18 -4.55 113.62 111.67 1a8u n SER 65 Ca 0.07 0.40 -0.28 0.00 1.01 0.00 0.00 58.87 60.06 1a8u n SER 65 Cb 0.57 -1.29 -0.05 0.00 -1.01 0.00 0.00 64.21 62.43 1a8u n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a8u n GLN 66 N -2.27 3.22 -0.95 1.43 6.02 -1.26 -0.89 117.38 122.68 1a8u n GLN 66 Ca 0.09 -4.79 -0.30 0.00 -0.01 0.00 0.00 57.00 52.00 1a8u n GLN 66 Cb 0.52 -2.27 0.17 0.00 1.02 0.00 0.00 30.24 29.68 1a8u n GLN 66 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1a8u s PRO 67 N -3.21 0.69 -0.41 -1.09 0.04 -1.26 -4.94 135.00 124.83 1a8u s PRO 67 Ca 0.45 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.51 1a8u s PRO 67 Cb 0.23 -1.73 0.55 0.00 0.04 0.00 0.00 34.50 33.58 1a8u s PRO 67 CO -0.09 -2.67 1.70 0.25 0.04 0.00 0.00 177.00 176.22 1a8u n THR 68 N -4.20 2.96 -3.79 1.26 -2.24 -1.26 -4.57 114.28 102.45 1a8u n THR 68 Ca 0.07 -2.63 -0.11 0.00 -2.27 0.00 0.00 64.05 59.10 1a8u n THR 68 Cb 0.54 -0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 68.11 1a8u n THR 68 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1a8u s THR 69 N -3.65 0.09 0.00 4.28 -1.32 -1.26 -4.97 115.64 108.81 1a8u s THR 69 Ca 0.53 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 1a8u s THR 69 Cb 0.45 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 1a8u s THR 69 CO 0.04 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 172.66 1a8u n GLY 70 N 0.71 0.76 3.41 6.08 0.00 -1.26 -5.00 105.19 109.88 1a8u n GLY 70 Ca -0.19 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 1a8u n GLY 70 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a8u n TYR 71 N -2.43 4.71 -3.51 1.61 4.01 -1.26 -4.38 117.16 115.90 1a8u n TYR 71 Ca 0.00 -3.23 -0.16 0.00 -0.16 0.00 0.00 57.90 54.35 1a8u n TYR 71 Cb 0.00 -2.24 -0.05 0.00 -0.31 0.00 0.00 39.34 36.74 1a8u n TYR 71 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1a8u s ASP 72 N 2.83 -0.61 0.51 7.72 1.47 -1.26 -4.78 116.67 122.54 1a8u s ASP 72 Ca 0.44 0.58 0.29 0.00 1.18 0.00 0.00 52.55 55.04 1a8u s ASP 72 Cb -0.00 0.52 1.33 0.00 -0.34 0.00 0.00 42.92 44.43 1a8u s ASP 72 CO 0.01 -0.63 2.00 1.88 0.68 0.00 0.00 175.17 179.11 1a8u h TYR 73 N 2.81 0.00 -0.43 2.11 0.05 -1.92 0.22 116.97 119.81 1a8u h TYR 73 Ca -0.27 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.44 1a8u h TYR 73 Cb 1.17 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 1a8u h TYR 73 CO 0.35 0.12 0.01 -0.44 -1.05 0.00 0.00 178.16 177.15 1a8u h ASP 74 N 0.00 0.75 -0.30 3.88 3.32 -1.97 -0.12 116.42 121.97 1a8u h ASP 74 Ca -0.00 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 1a8u h ASP 74 Cb 0.48 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1a8u h ASP 74 CO 0.02 0.87 -0.04 0.74 -1.72 0.00 0.00 179.24 179.11 1a8u h THR 75 N 0.60 1.27 -0.87 0.35 2.02 -1.69 -0.75 112.91 113.85 1a8u h THR 75 Ca 0.12 -1.03 0.09 0.00 0.77 0.00 0.00 66.41 66.36 1a8u h THR 75 Cb 0.48 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 1a8u h THR 75 CO 0.02 0.33 0.52 -0.26 0.37 0.00 0.00 175.52 176.50 1a8u h PHE 76 N 0.33 0.94 -0.07 3.16 0.04 -0.90 0.19 116.94 120.62 1a8u h PHE 76 Ca 0.08 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.74 1a8u h PHE 76 Cb 0.50 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1a8u h PHE 76 CO 0.04 0.41 -0.58 0.00 -0.60 0.00 0.00 178.31 177.58 1a8u h ALA 77 N 1.46 0.89 -0.11 2.45 0.00 -0.91 -1.97 119.26 121.08 1a8u h ALA 77 Ca 0.41 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1a8u h ALA 77 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1a8u h ALA 77 CO -0.23 0.71 -0.44 0.00 0.00 0.00 0.00 179.25 179.29 1a8u h ALA 78 N 1.23 1.06 -0.25 0.00 0.00 -0.37 0.11 119.26 121.04 1a8u h ALA 78 Ca -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1a8u h ALA 78 Cb 1.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1a8u h ALA 78 CO 0.09 0.61 0.07 -0.44 0.00 0.00 0.00 179.25 179.59 1a8u h ASP 79 N 0.21 0.37 -0.54 0.00 3.32 -0.41 -0.77 116.42 118.60 1a8u h ASP 79 Ca 0.02 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.86 1a8u h ASP 79 Cb 0.86 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1a8u h ASP 79 CO 0.07 0.48 0.35 0.25 -1.72 0.00 0.00 179.24 178.67 1a8u h LEU 80 N 0.24 0.61 -0.97 1.55 5.85 -1.09 -0.67 115.31 120.83 1a8u h LEU 80 Ca 0.08 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1a8u h LEU 80 Cb 0.25 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 1a8u h LEU 80 CO -0.00 0.44 0.61 -1.13 -0.34 0.00 0.00 178.44 178.02 1a8u h ASN 81 N 0.72 0.91 -0.61 1.25 -1.24 -0.50 0.11 115.58 116.23 1a8u h ASN 81 Ca 0.20 0.04 -0.09 0.00 0.71 0.00 0.00 56.30 57.16 1a8u h ASN 81 Cb -0.08 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.80 1a8u h ASN 81 CO -0.04 0.51 0.02 0.74 -1.29 0.00 0.00 177.43 177.37 1a8u h THR 82 N 1.00 1.26 -0.36 -3.57 2.02 -0.51 -0.24 112.91 112.52 1a8u h THR 82 Ca 0.46 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1a8u h THR 82 Cb 0.39 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1a8u h THR 82 CO -0.24 0.41 0.21 0.58 0.37 0.00 0.00 175.52 176.85 1a8u h VAL 83 N 0.95 1.12 -0.62 3.16 2.07 0.01 0.64 116.25 123.58 1a8u h VAL 83 Ca 0.17 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1a8u h VAL 83 Cb 0.53 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1a8u h VAL 83 CO 0.03 0.12 0.11 -0.07 0.02 0.00 0.00 177.57 177.77 1a8u h LEU 84 N 0.46 0.95 -0.26 2.57 3.38 -0.75 -2.05 115.31 119.62 1a8u h LEU 84 Ca 0.13 -0.21 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 1a8u h LEU 84 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1a8u h LEU 84 CO -0.02 0.95 -0.71 -0.33 0.09 0.00 0.00 178.44 178.42 1a8u h GLU 85 N 0.95 0.73 -0.83 1.13 5.08 -0.86 -0.26 114.58 120.51 1a8u h GLU 85 Ca 0.19 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1a8u h GLU 85 Cb 0.40 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1a8u h GLU 85 CO 0.01 1.17 0.45 1.15 -1.00 0.00 0.00 179.01 180.80 1a8u h THR 86 N 0.51 1.24 -0.01 1.13 2.02 -0.71 -2.49 112.91 114.61 1a8u h THR 86 Ca -0.03 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1a8u h THR 86 Cb 1.32 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1a8u h THR 86 CO 0.14 0.27 -0.34 0.18 0.37 0.00 0.00 175.52 176.14 1a8u n LEU 87 N -4.34 0.93 -3.93 2.58 4.77 -0.79 -4.96 117.00 111.26 1a8u n LEU 87 Ca 0.09 -0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 55.58 1a8u n LEU 87 Cb 0.10 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1a8u n LEU 87 CO 0.38 0.18 -0.13 -0.67 -1.33 0.00 0.00 177.39 175.82 1a8u n ASP 88 N -0.86 -1.38 -4.74 -1.43 2.03 -0.23 -4.91 116.55 105.03 1a8u n ASP 88 Ca 0.10 -0.94 -0.41 0.00 0.52 0.00 0.00 54.79 54.06 1a8u n ASP 88 Cb 0.35 -3.31 -0.03 0.00 -0.72 0.00 0.00 41.12 37.40 1a8u n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1a8u s LEU 89 N -6.98 4.44 0.10 -2.67 1.43 -0.47 -5.02 118.68 109.51 1a8u s LEU 89 Ca 0.18 2.24 0.03 0.00 -1.03 0.00 0.00 54.13 55.55 1a8u s LEU 89 Cb -0.09 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1a8u s LEU 89 CO 0.87 -0.39 -0.09 -1.10 0.23 0.00 0.00 176.35 175.88 1a8u s GLN 90 N -0.20 0.83 -1.54 1.70 -1.52 -1.26 -4.80 119.66 112.87 1a8u s GLN 90 Ca 0.53 -1.18 -0.10 0.00 -1.95 0.00 0.00 55.36 52.66 1a8u s GLN 90 Cb -0.33 -0.44 0.08 0.00 -0.22 0.00 0.00 33.01 32.10 1a8u s GLN 90 CO 0.37 0.05 0.71 -3.47 -0.25 0.00 0.00 175.29 172.70 1a8u n ASP 91 N 0.45 -2.54 -4.92 5.90 2.03 -0.77 -4.61 116.55 112.09 1a8u n ASP 91 Ca -0.15 -0.94 -0.30 0.00 0.52 0.00 0.00 54.79 53.92 1a8u n ASP 91 Cb 0.58 -3.23 -0.04 0.00 -0.72 0.00 0.00 41.12 37.72 1a8u n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a8u s ALA 92 N -3.54 3.90 -0.17 -1.67 0.00 -0.19 -4.42 121.76 115.67 1a8u s ALA 92 Ca 0.43 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 1a8u s ALA 92 Cb -0.23 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1a8u s ALA 92 CO 0.88 0.65 0.09 0.08 0.00 0.00 0.00 175.76 177.45 1a8u s VAL 93 N -1.68 5.01 -0.21 0.00 1.01 0.05 -0.05 120.40 124.53 1a8u s VAL 93 Ca 0.37 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1a8u s VAL 93 Cb -0.12 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1a8u s VAL 93 CO 0.27 0.49 0.05 -0.76 0.00 0.00 0.00 175.10 175.16 1a8u s LEU 94 N 0.05 3.55 -0.18 3.92 1.43 -0.74 -0.29 118.68 126.42 1a8u s LEU 94 Ca 0.07 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1a8u s LEU 94 Cb -0.12 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1a8u s LEU 94 CO 0.00 0.07 -0.19 -0.69 0.23 0.00 0.00 176.35 175.77 1a8u s VAL 95 N 0.99 2.04 0.06 -1.59 1.01 0.37 -0.61 120.40 122.66 1a8u s VAL 95 Ca 0.03 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1a8u s VAL 95 Cb -0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1a8u s VAL 95 CO 0.03 0.52 -0.04 -0.83 0.00 0.00 0.00 175.10 174.77 1a8u s GLY 96 N 1.29 1.84 -0.18 4.51 0.00 -0.15 -0.64 107.32 114.00 1a8u s GLY 96 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1a8u s GLY 96 CO -0.13 -1.03 -0.17 -0.12 0.00 0.00 0.00 173.10 171.66 1a8u s PHE 97 N -1.18 2.80 0.00 1.90 5.36 -0.38 -0.99 117.98 125.51 1a8u s PHE 97 Ca 0.22 -1.41 0.00 0.00 -0.96 0.00 0.00 56.93 54.78 1a8u s PHE 97 Cb -0.11 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 1a8u s PHE 97 CO 0.13 -0.70 0.00 0.45 -1.46 0.00 0.00 175.22 173.64 1a8u n SER 98 N 4.53 0.00 -0.29 6.13 2.88 0.13 -0.59 113.62 126.40 1a8u n SER 98 Ca -0.20 0.00 0.24 0.00 -1.33 0.00 0.00 58.87 57.58 1a8u n SER 98 Cb 0.51 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.53 1a8u n SER 98 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1a8u h MET 99 N 0.00 0.30 0.00 -1.46 2.86 -1.85 0.12 114.93 114.89 1a8u h MET 99 Ca 0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1a8u h MET 99 Cb 0.00 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1a8u h MET 99 CO 0.00 0.20 -0.07 0.78 1.06 0.00 0.00 176.91 178.88 1a8u h GLY 100 N 0.31 0.00 2.00 8.32 0.00 -0.66 -1.15 103.07 111.89 1a8u h GLY 100 Ca 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.87 1a8u h GLY 100 CO -0.20 0.00 -0.04 -0.91 0.00 0.00 0.00 176.54 175.39 1a8u h THR 101 N 0.00 0.14 -0.14 4.70 1.35 -0.90 -2.37 112.91 115.70 1a8u h THR 101 Ca -0.00 -0.42 -0.07 0.00 -0.55 0.00 0.00 66.41 65.37 1a8u h THR 101 Cb 0.22 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1a8u h THR 101 CO 0.01 0.04 -0.18 1.23 -0.25 0.00 0.00 175.52 176.37 1a8u h GLY 102 N 1.26 0.40 0.60 5.82 0.00 -1.30 -2.41 103.07 107.45 1a8u h GLY 102 Ca -0.00 -0.43 0.07 0.00 0.00 0.00 0.00 47.33 46.97 1a8u h GLY 102 CO 0.00 0.39 0.33 0.83 0.00 0.00 0.00 176.54 178.10 1a8u h GLU 103 N -0.02 0.59 0.14 4.80 3.07 -1.53 -0.56 114.58 121.06 1a8u h GLU 103 Ca 0.02 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1a8u h GLU 103 Cb 0.73 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1a8u h GLU 103 CO 0.04 0.39 -0.07 0.28 -1.40 0.00 0.00 179.01 178.25 1a8u h VAL 104 N 0.60 0.91 -0.51 3.13 2.07 -1.41 0.60 116.25 121.64 1a8u h VAL 104 Ca 0.30 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1a8u h VAL 104 Cb 0.25 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1a8u h VAL 104 CO -0.21 0.04 0.14 0.00 0.02 0.00 0.00 177.57 177.55 1a8u h ALA 105 N 0.59 0.67 -0.38 1.67 0.00 -1.35 -1.83 119.26 118.64 1a8u h ALA 105 Ca -0.02 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1a8u h ALA 105 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a8u h ALA 105 CO 0.03 0.35 -0.37 -0.09 0.00 0.00 0.00 179.25 179.18 1a8u h ARG 106 N 0.70 0.89 0.27 0.00 9.65 -1.06 -0.86 114.38 123.97 1a8u h ARG 106 Ca 0.16 -0.46 -0.01 0.00 -1.10 0.00 0.00 59.98 58.57 1a8u h ARG 106 Cb 0.32 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1a8u h ARG 106 CO -0.00 1.11 -0.13 -0.92 2.80 0.00 0.00 179.97 182.83 1a8u h TYR 107 N 0.73 -0.34 -0.90 2.20 3.20 -0.86 0.32 116.97 121.33 1a8u h TYR 107 Ca 0.06 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1a8u h TYR 107 Cb 0.95 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 1a8u h TYR 107 CO 0.06 -0.19 0.59 0.28 -1.64 0.00 0.00 178.16 177.25 1a8u h VAL 108 N -0.38 1.19 0.02 1.81 2.07 -1.25 0.17 116.25 119.87 1a8u h VAL 108 Ca -0.04 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1a8u h VAL 108 Cb 0.29 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1a8u h VAL 108 CO 0.06 0.21 -0.01 -1.28 0.02 0.00 0.00 177.57 176.57 1a8u h SER 109 N 1.17 -0.02 0.01 0.57 0.87 -0.93 -0.64 113.55 114.57 1a8u h SER 109 Ca 0.34 -0.24 -0.22 0.00 -1.23 0.00 0.00 61.79 60.44 1a8u h SER 109 Cb -0.07 0.01 0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1a8u h SER 109 CO -0.09 0.23 -0.86 0.28 -0.53 0.00 0.00 176.83 175.85 1a8u h SER 110 N -0.28 0.74 0.00 6.23 0.02 -0.79 -3.39 113.55 116.09 1a8u h SER 110 Ca -0.00 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 1a8u h SER 110 Cb 0.27 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1a8u h SER 110 CO 0.00 1.41 -1.41 -1.22 -1.14 0.00 0.00 176.83 174.47 1a8u n TYR 111 N -4.01 0.00 0.00 3.45 4.02 0.57 -5.09 117.16 116.09 1a8u n TYR 111 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1a8u n TYR 111 Cb 0.80 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 1a8u n TYR 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a8u n GLY 112 N 1.42 -0.79 0.93 2.72 0.00 -0.25 -4.73 105.19 104.49 1a8u n GLY 112 Ca -0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1a8u n GLY 112 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a8u n THR 113 N -0.75 2.41 -0.29 2.61 -2.24 -1.26 -4.63 114.28 110.12 1a8u n THR 113 Ca 0.00 -2.93 0.06 0.00 -2.27 0.00 0.00 64.05 58.91 1a8u n THR 113 Cb 0.00 -0.29 0.27 0.00 -2.10 0.00 0.00 70.33 68.22 1a8u n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a8u h ALA 114 N 0.99 1.58 -0.01 6.98 0.00 -1.99 -0.97 119.26 125.86 1a8u h ALA 114 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a8u h ALA 114 Cb 1.39 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1a8u h ALA 114 CO 0.23 0.25 -0.20 0.54 0.00 0.00 0.00 179.25 180.07 1a8u n ARG 115 N -4.52 0.92 -4.65 0.00 1.74 -1.26 -4.71 116.66 104.18 1a8u n ARG 115 Ca 0.15 -0.51 -0.33 0.00 -0.77 0.00 0.00 57.85 56.38 1a8u n ARG 115 Cb 0.27 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.07 1a8u n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a8u s ILE 116 N -2.43 2.87 -0.12 0.55 -1.09 -0.37 -1.02 121.20 119.59 1a8u s ILE 116 Ca 0.27 -0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 57.84 1a8u s ILE 116 Cb 0.20 -2.21 -0.26 0.00 -1.58 0.00 0.00 42.46 38.61 1a8u s ILE 116 CO 0.49 0.52 0.45 0.00 -1.23 0.00 0.00 174.94 175.17 1a8u h ALA 117 N 7.03 0.26 -2.63 9.38 0.00 -0.68 -3.45 119.26 129.18 1a8u h ALA 117 Ca -0.29 -1.20 -0.08 0.00 0.00 0.00 0.00 54.91 53.35 1a8u h ALA 117 Cb 1.20 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 19.45 1a8u h ALA 117 CO 0.56 0.96 -0.25 0.15 0.00 0.00 0.00 179.25 180.66 1a8u s LYS 118 N -2.49 1.01 0.01 0.00 1.02 -1.24 -4.20 119.74 113.85 1a8u s LYS 118 Ca -0.22 -0.93 0.02 0.00 0.02 0.00 0.00 55.97 54.87 1a8u s LYS 118 Cb 0.05 0.40 -0.01 0.00 -0.52 0.00 0.00 37.83 37.75 1a8u s LYS 118 CO 0.74 -0.36 -0.08 0.14 -0.92 0.00 0.00 175.35 174.87 1a8u s VAL 119 N -3.87 0.61 -0.03 3.17 -7.23 -0.38 -1.78 120.40 110.89 1a8u s VAL 119 Ca 0.07 -0.50 0.02 0.00 -1.81 0.00 0.00 61.98 59.76 1a8u s VAL 119 Cb 0.03 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.43 1a8u s VAL 119 CO -0.08 0.05 -0.08 0.00 -0.31 0.00 0.00 175.10 174.67 1a8u s ALA 120 N -0.44 0.83 -0.28 1.32 0.00 0.22 -1.76 121.76 121.66 1a8u s ALA 120 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1a8u s ALA 120 Cb -0.04 -0.34 0.07 0.00 0.00 0.00 0.00 23.12 22.81 1a8u s ALA 120 CO 0.00 0.12 -0.07 -0.06 0.00 0.00 0.00 175.76 175.75 1a8u s PHE 121 N 0.30 3.35 -0.17 0.00 0.08 0.56 -0.97 117.98 121.13 1a8u s PHE 121 Ca -0.05 -2.47 -0.05 0.00 0.12 0.00 0.00 56.93 54.49 1a8u s PHE 121 Cb -0.09 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 1a8u s PHE 121 CO 0.01 -0.89 -0.01 -0.51 -0.10 0.00 0.00 175.22 173.71 1a8u s LEU 122 N 1.06 3.35 -1.20 -0.37 1.43 -0.16 -1.17 118.68 121.62 1a8u s LEU 122 Ca -0.04 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 1a8u s LEU 122 Cb -0.20 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1a8u s LEU 122 CO -0.06 0.14 0.72 0.00 0.23 0.00 0.00 176.35 177.38 1a8u n ALA 123 N 3.74 -2.38 -1.58 4.21 0.00 0.01 -0.70 120.51 123.82 1a8u n ALA 123 Ca -0.17 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 52.71 1a8u n ALA 123 Cb 0.52 -3.45 0.04 0.00 0.00 0.00 0.00 19.45 16.56 1a8u n ALA 123 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1a8u s SER 124 N -3.75 5.11 0.08 0.00 0.01 -1.26 -2.68 113.70 111.21 1a8u s SER 124 Ca 0.33 2.16 0.01 0.00 1.31 0.00 0.00 55.95 59.76 1a8u s SER 124 Cb -0.11 -2.57 -0.25 0.00 0.21 0.00 0.00 66.02 63.30 1a8u s SER 124 CO 0.85 -1.64 1.15 -0.07 0.41 0.00 0.00 173.24 173.95 1a8u h LEU 125 N 0.38 0.23-10.19 2.44 3.38 -1.90 -3.43 115.31 106.22 1a8u h LEU 125 Ca -0.48 -0.26 -0.54 0.00 0.09 0.00 0.00 57.88 56.69 1a8u h LEU 125 Cb 1.27 -0.07 0.18 0.00 0.09 0.00 0.00 40.66 42.12 1a8u h LEU 125 CO 0.54 1.20 0.37 -0.62 0.09 0.00 0.00 178.44 180.03 1a8u n GLU 126 N -3.43 0.34 0.02 1.13 4.71 -1.26 -3.93 120.64 118.21 1a8u n GLU 126 Ca -0.06 0.19 -0.08 0.00 -0.01 0.00 0.00 57.16 57.20 1a8u n GLU 126 Cb 0.99 -2.46 -0.13 0.00 -1.01 0.00 0.00 31.44 28.83 1a8u n GLU 126 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1a8u h PRO 127 N -0.67 0.00 -0.53 3.49 0.11 -1.80 -3.37 132.00 129.23 1a8u h PRO 127 Ca -0.47 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.80 1a8u h PRO 127 Cb 1.31 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.22 1a8u h PRO 127 CO 0.47 0.72 -0.08 0.12 -0.21 0.00 0.00 178.00 179.02 1a8u s PHE 128 N -2.65 -0.94 -0.69 0.65 5.36 -1.25 -0.85 117.98 117.62 1a8u s PHE 128 Ca -0.02 0.72 0.24 0.00 -0.96 0.00 0.00 56.93 56.91 1a8u s PHE 128 Cb 0.09 0.23 0.91 0.00 -0.34 0.00 0.00 43.02 43.90 1a8u s PHE 128 CO 0.82 -0.53 1.72 -0.11 -1.46 0.00 0.00 175.22 175.66 1a8u n LEU 129 N 5.32 0.55 -4.70 6.12 7.94 -1.26 -4.28 117.00 126.70 1a8u n LEU 129 Ca 0.02 0.60 -0.42 0.00 -1.11 0.00 0.00 56.01 55.10 1a8u n LEU 129 Cb 0.55 -0.47 -0.03 0.00 0.53 0.00 0.00 43.42 44.00 1a8u n LEU 129 CO -0.10 -0.33 0.85 -0.22 -1.11 0.00 0.00 177.39 176.48 1a8u s LEU 130 N -4.14 4.30 -0.27 -1.96 2.96 -1.26 -0.64 118.68 117.68 1a8u s LEU 130 Ca 0.08 1.76 -0.26 0.00 -0.22 0.00 0.00 54.13 55.49 1a8u s LEU 130 Cb 0.11 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.24 1a8u s LEU 130 CO 0.46 -0.47 0.89 -0.75 -1.32 0.00 0.00 176.35 175.15 1a8u s LYS 131 N 1.74 4.11 0.16 1.98 2.20 0.65 -4.12 119.74 126.45 1a8u s LYS 131 Ca 0.54 0.91 0.02 0.00 -0.36 0.00 0.00 55.97 57.08 1a8u s LYS 131 Cb -0.23 -3.68 -0.01 0.00 -1.51 0.00 0.00 37.83 32.39 1a8u s LYS 131 CO 0.23 -0.64 0.08 0.25 -0.36 0.00 0.00 175.35 174.91 1a8u n THR 132 N 5.45 0.00 0.03 3.43 -2.24 -0.90 -4.15 114.28 115.89 1a8u n THR 132 Ca 0.07 -0.99 -0.20 0.00 -2.27 0.00 0.00 64.05 60.66 1a8u n THR 132 Cb 0.47 0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 69.00 1a8u n THR 132 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1a8u h ASP 133 N 0.72 0.93 1.59 3.42 3.32 -1.99 -3.01 116.42 121.40 1a8u h ASP 133 Ca -0.12 -0.71 -0.01 0.00 0.02 0.00 0.00 57.03 56.21 1a8u h ASP 133 Cb 0.50 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1a8u h ASP 133 CO 0.19 1.51 -0.04 -0.78 -1.72 0.00 0.00 179.24 178.40 1a8u h ASP 134 N 0.43 0.00 -2.33 6.45 3.58 -1.98 -3.36 116.42 119.20 1a8u h ASP 134 Ca -0.11 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.75 1a8u h ASP 134 Cb 1.63 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 42.27 1a8u h ASP 134 CO 0.19 0.04 -0.81 -3.20 -2.88 0.00 0.00 179.24 172.58 1a8u n ASN 135 N -3.12 1.77 0.23 2.28 5.15 -1.18 -4.94 115.26 115.45 1a8u n ASN 135 Ca 0.03 -2.98 0.16 0.00 -0.60 0.00 0.00 54.58 51.18 1a8u n ASN 135 Cb 0.46 -0.66 0.71 0.00 -0.53 0.00 0.00 39.78 39.77 1a8u n ASN 135 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1a8u h PRO 136 N 4.61 0.00 0.00 1.20 0.13 -1.69 -2.13 132.00 134.12 1a8u h PRO 136 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1a8u h PRO 136 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1a8u h PRO 136 CO 0.62 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.14 1a8u n ASP 137 N -2.71 0.00 -4.65 1.44 8.00 -1.26 -4.86 116.55 112.51 1a8u n ASP 137 Ca 0.00 0.37 -0.33 0.00 0.71 0.00 0.00 54.79 55.55 1a8u n ASP 137 Cb 0.20 -0.45 0.14 0.00 -0.02 0.00 0.00 41.12 40.99 1a8u n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a8u n GLY 138 N 1.17 -0.36 0.12 0.44 0.00 -0.85 -4.43 105.19 101.27 1a8u n GLY 138 Ca 0.08 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 1a8u n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8u h ALA 139 N -1.33 0.04 -2.44 4.61 0.00 -1.14 -3.39 119.26 115.60 1a8u h ALA 139 Ca -0.45 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 53.57 1a8u h ALA 139 Cb 1.29 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.96 1a8u h ALA 139 CO 0.43 0.91 0.25 0.00 0.00 0.00 0.00 179.25 180.84 1a8u s ALA 140 N -2.65 -1.71 0.86 0.00 0.00 -1.19 -4.85 121.76 112.22 1a8u s ALA 140 Ca -0.05 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 1a8u s ALA 140 Cb 0.06 0.39 0.11 0.00 0.00 0.00 0.00 23.12 23.68 1a8u s ALA 140 CO 0.90 -0.57 1.14 -1.25 0.00 0.00 0.00 175.76 175.98 1a8u s PRO 141 N -2.50 1.53 0.31 0.00 0.04 -1.26 -0.25 135.00 132.87 1a8u s PRO 141 Ca -0.04 0.30 0.06 0.00 0.04 0.00 0.00 61.00 61.36 1a8u s PRO 141 Cb -0.01 -1.88 0.73 0.00 0.04 0.00 0.00 34.50 33.38 1a8u s PRO 141 CO -0.02 -1.93 1.80 -0.22 0.04 0.00 0.00 177.00 176.67 1a8u h LYS 142 N -1.30 0.76 -0.64 4.56 3.64 -1.98 -1.53 116.57 120.08 1a8u h LYS 142 Ca -0.49 -0.05 0.12 0.00 -1.27 0.00 0.00 60.65 58.97 1a8u h LYS 142 Cb 1.32 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1a8u h LYS 142 CO 0.63 0.50 0.43 1.05 -2.27 0.00 0.00 179.45 179.79 1a8u h GLU 143 N 0.79 0.34 -0.34 1.90 9.09 -1.98 0.28 114.58 124.65 1a8u h GLU 143 Ca 0.55 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.93 1a8u h GLU 143 Cb 0.83 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 27.83 1a8u h GLU 143 CO -0.33 0.23 0.17 0.35 0.05 0.00 0.00 179.01 179.48 1a8u h PHE 144 N 0.35 0.47 -0.05 2.06 3.57 -1.63 -1.42 116.94 120.29 1a8u h PHE 144 Ca 0.30 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.63 1a8u h PHE 144 Cb 0.71 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1a8u h PHE 144 CO -0.00 0.40 -0.64 0.74 -2.23 0.00 0.00 178.31 176.57 1a8u h PHE 145 N 0.41 0.28 -0.57 0.41 0.04 -1.33 -2.24 116.94 113.94 1a8u h PHE 145 Ca 0.12 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1a8u h PHE 145 Cb 0.09 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 1a8u h PHE 145 CO -0.02 0.80 0.26 -0.44 -0.60 0.00 0.00 178.31 178.31 1a8u h ASP 146 N 0.15 0.73 -0.56 2.17 3.32 -0.80 -0.66 116.42 120.77 1a8u h ASP 146 Ca -0.01 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1a8u h ASP 146 Cb 1.16 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1a8u h ASP 146 CO 0.10 0.63 0.08 1.23 -1.72 0.00 0.00 179.24 179.57 1a8u h GLY 147 N 0.91 1.05 0.92 2.75 0.00 -0.84 -1.36 103.07 106.49 1a8u h GLY 147 Ca 0.20 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1a8u h GLY 147 CO -0.02 0.63 -0.04 -2.22 0.00 0.00 0.00 176.54 174.89 1a8u h ILE 148 N 0.91 1.27 -0.27 2.60 1.08 -0.75 -1.25 117.51 121.11 1a8u h ILE 148 Ca 0.18 -1.06 0.05 0.00 -0.39 0.00 0.00 64.86 63.65 1a8u h ILE 148 Cb 0.42 1.27 -0.05 0.00 -3.07 0.00 0.00 36.82 35.40 1a8u h ILE 148 CO 0.01 0.35 -0.02 0.58 -0.69 0.00 0.00 178.15 178.37 1a8u h VAL 149 N 0.42 0.77 -0.33 1.67 2.07 -0.99 -0.62 116.25 119.24 1a8u h VAL 149 Ca 0.09 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 1a8u h VAL 149 Cb 0.52 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1a8u h VAL 149 CO 0.03 0.01 0.03 0.00 0.02 0.00 0.00 177.57 177.66 1a8u h ALA 150 N 1.25 1.44 -0.39 1.67 0.00 -1.15 -1.01 119.26 121.07 1a8u h ALA 150 Ca 0.13 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1a8u h ALA 150 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1a8u h ALA 150 CO -0.24 0.40 -0.27 0.00 0.00 0.00 0.00 179.25 179.14 1a8u h ALA 151 N 1.56 0.79 -0.39 0.00 0.00 -0.33 -0.81 119.26 120.07 1a8u h ALA 151 Ca 0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1a8u h ALA 151 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1a8u h ALA 151 CO 0.00 0.65 -0.01 0.28 0.00 0.00 0.00 179.25 180.17 1a8u h VAL 152 N 0.70 1.26 0.00 0.00 2.07 -0.86 -2.44 116.25 116.99 1a8u h VAL 152 Ca 0.08 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1a8u h VAL 152 Cb 0.81 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1a8u h VAL 152 CO 0.07 0.35 -0.12 0.11 0.02 0.00 0.00 177.57 177.99 1a8u h LYS 153 N 0.52 0.00 0.06 1.57 1.57 -0.92 -1.98 116.57 117.40 1a8u h LYS 153 Ca 0.11 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 1a8u h LYS 153 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1a8u h LYS 153 CO 0.02 0.12 -1.08 0.00 -0.57 0.00 0.00 179.45 177.94 1a8u h ALA 154 N 1.88 0.27 -0.11 3.86 0.00 -0.83 -3.44 119.26 120.88 1a8u h ALA 154 Ca -0.00 -0.82 0.19 0.00 0.00 0.00 0.00 54.91 54.27 1a8u h ALA 154 Cb 0.38 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.95 1a8u h ALA 154 CO 0.02 0.97 -0.03 0.34 0.00 0.00 0.00 179.25 180.55 1a8u s ASP 155 N -7.03 -0.18 0.35 0.00 -1.08 -0.95 -5.04 116.67 102.74 1a8u s ASP 155 Ca -0.03 -0.05 0.11 0.00 -0.52 0.00 0.00 52.55 52.06 1a8u s ASP 155 Cb 0.08 0.52 0.63 0.00 -1.46 0.00 0.00 42.92 42.70 1a8u s ASP 155 CO 0.86 -0.02 1.78 0.08 0.52 0.00 0.00 175.17 178.38 1a8u h ARG 156 N 5.86 0.04 -0.49 4.34 0.11 -1.56 -1.03 114.38 121.64 1a8u h ARG 156 Ca -0.07 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 59.92 1a8u h ARG 156 Cb 1.22 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.28 1a8u h ARG 156 CO -0.11 0.44 0.00 1.88 0.10 0.00 0.00 179.97 182.28 1a8u h TYR 157 N 0.03 0.95 -0.09 4.08 0.05 -1.94 -1.52 116.97 118.53 1a8u h TYR 157 Ca -0.00 -0.16 -0.17 0.00 0.05 0.00 0.00 58.73 58.44 1a8u h TYR 157 Cb 0.74 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 1a8u h TYR 157 CO 0.00 0.89 -0.67 0.00 -1.05 0.00 0.00 178.16 177.33 1a8u h ALA 158 N 0.93 0.67 -1.00 3.88 0.00 -1.92 -3.14 119.26 118.68 1a8u h ALA 158 Ca 0.14 -0.58 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1a8u h ALA 158 Cb 0.51 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1a8u h ALA 158 CO 0.03 0.75 0.64 0.35 0.00 0.00 0.00 179.25 181.01 1a8u h PHE 159 N 0.27 1.17 -0.13 0.00 3.57 -0.77 -2.19 116.94 118.86 1a8u h PHE 159 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1a8u h PHE 159 Cb 1.23 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1a8u h PHE 159 CO 0.04 0.55 0.03 1.88 -2.23 0.00 0.00 178.31 178.58 1a8u h TYR 160 N 1.09 0.18 0.19 0.41 0.05 -1.23 -2.09 116.97 115.57 1a8u h TYR 160 Ca 0.46 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.23 1a8u h TYR 160 Cb 0.31 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1a8u h TYR 160 CO -0.00 0.17 -0.09 1.15 -1.05 0.00 0.00 178.16 178.34 1a8u h THR 161 N 0.19 0.86 0.00 -2.88 2.02 -1.51 -0.14 112.91 111.45 1a8u h THR 161 Ca 0.05 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 1a8u h THR 161 Cb 0.08 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1a8u h THR 161 CO -0.00 0.05 -0.52 1.23 0.37 0.00 0.00 175.52 176.64 1a8u h GLY 162 N -0.35 0.00 0.97 2.16 0.00 -1.63 -1.72 103.07 102.51 1a8u h GLY 162 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1a8u h GLY 162 CO 0.04 0.00 0.24 -2.75 0.00 0.00 0.00 176.54 174.07 1a8u h PHE 163 N 0.00 0.66 0.00 5.60 3.57 -1.14 -2.41 116.94 123.22 1a8u h PHE 163 Ca -0.01 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.36 1a8u h PHE 163 Cb 0.94 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1a8u h PHE 163 CO 0.00 0.52 -0.53 0.74 -2.23 0.00 0.00 178.31 176.81 1a8u h PHE 164 N 0.61 0.00 -0.52 0.41 0.04 -0.77 -0.06 116.94 116.64 1a8u h PHE 164 Ca 0.16 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.95 1a8u h PHE 164 Cb 0.09 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1a8u h PHE 164 CO -0.01 0.53 0.32 -0.97 -0.60 0.00 0.00 178.31 177.58 1a8u h ASN 165 N 0.00 0.53 0.20 2.17 -1.24 -0.88 -1.76 115.58 114.61 1a8u h ASN 165 Ca -0.01 -0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.79 1a8u h ASN 165 Cb 1.09 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.03 1a8u h ASN 165 CO 0.07 0.38 -0.84 0.44 -1.29 0.00 0.00 177.43 176.18 1a8u h ASP 166 N 0.65 0.61 -0.72 1.15 3.32 -1.24 -1.70 116.42 118.48 1a8u h ASP 166 Ca 0.21 -0.44 0.04 0.00 0.02 0.00 0.00 57.03 56.85 1a8u h ASP 166 Cb -0.01 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 1a8u h ASP 166 CO -0.08 1.22 0.44 0.15 -1.72 0.00 0.00 179.24 179.25 1a8u h PHE 167 N 0.31 0.83 -0.40 4.55 3.04 -0.66 -2.87 116.94 121.74 1a8u h PHE 167 Ca -0.06 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1a8u h PHE 167 Cb 1.46 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1a8u h PHE 167 CO 0.06 0.45 0.00 0.66 -2.02 0.00 0.00 178.31 177.46 1a8u n TYR 168 N -4.68 0.52 -3.76 0.41 4.01 -0.69 -0.52 117.16 112.44 1a8u n TYR 168 Ca 0.08 -0.34 -0.34 0.00 -0.16 0.00 0.00 57.90 57.14 1a8u n TYR 168 Cb 0.11 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.17 1a8u n TYR 168 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1a8u n ASN 169 N 1.12 -4.96 0.25 7.72 4.13 -1.01 -4.53 115.26 117.99 1a8u n ASN 169 Ca 0.16 -1.07 0.11 0.00 1.68 0.00 0.00 54.58 55.46 1a8u n ASN 169 Cb 0.51 -3.05 0.67 0.00 -1.54 0.00 0.00 39.78 36.38 1a8u n ASN 169 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1a8u h LEU 170 N -2.04 0.00 -2.10 3.41 3.38 -1.58 0.01 115.31 116.39 1a8u h LEU 170 Ca -0.67 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 1a8u h LEU 170 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1a8u h LEU 170 CO 0.49 0.13 -0.07 -2.24 0.09 0.00 0.00 178.44 176.84 1a8u h ASP 171 N 0.00 0.00 0.02 -0.43 2.03 -1.89 -1.21 116.42 114.94 1a8u h ASP 171 Ca -0.00 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 55.92 1a8u h ASP 171 Cb 0.30 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.73 1a8u h ASP 171 CO 0.02 0.07 -2.40 -0.62 -1.03 0.00 0.00 179.24 175.28 1a8u n GLU 172 N -3.49 0.67 -0.00 4.15 1.02 -0.44 -4.78 120.64 117.77 1a8u n GLU 172 Ca -0.02 0.09 0.05 0.00 -0.02 0.00 0.00 57.16 57.25 1a8u n GLU 172 Cb 0.20 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 1a8u n GLU 172 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1a8u n ASN 173 N -3.03 0.91 -4.68 1.62 3.02 -0.14 -4.84 115.26 108.12 1a8u n ASN 173 Ca -0.39 -0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 53.16 1a8u n ASN 173 Cb 1.07 1.09 -0.03 0.00 -0.61 0.00 0.00 39.78 41.30 1a8u n ASN 173 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1a8u s LEU 174 N -2.70 4.37 0.00 3.41 2.96 -0.47 -1.32 118.68 124.92 1a8u s LEU 174 Ca 0.02 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 1a8u s LEU 174 Cb 0.07 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.21 1a8u s LEU 174 CO 0.40 -0.92 0.00 0.61 -1.32 0.00 0.00 176.35 175.12 1a8u n GLY 175 N 4.09 1.41 0.50 7.98 0.00 0.47 -4.83 105.19 114.81 1a8u n GLY 175 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1a8u n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a8u n THR 176 N -2.00 0.00 0.79 2.61 -2.24 -0.67 -4.88 114.28 107.89 1a8u n THR 176 Ca 0.00 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1a8u n THR 176 Cb 0.00 -0.77 0.27 0.00 -2.10 0.00 0.00 70.33 67.73 1a8u n THR 176 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1a8u n ARG 177 N -1.78 0.15 -3.72 -0.78 1.74 -0.43 -4.73 116.66 107.11 1a8u n ARG 177 Ca 0.00 0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 1a8u n ARG 177 Cb 0.00 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 29.72 1a8u n ARG 177 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1a8u s ILE 178 N -3.08 -0.03 0.63 0.55 2.07 -0.71 -4.32 121.20 116.31 1a8u s ILE 178 Ca 0.09 0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.34 1a8u s ILE 178 Cb 0.16 -0.46 -0.03 0.00 0.13 0.00 0.00 42.46 42.25 1a8u s ILE 178 CO 0.68 0.05 1.03 -0.94 -1.91 0.00 0.00 174.94 173.86 1a8u s SER 179 N 1.28 6.03 0.46 4.50 1.04 -1.26 -0.40 113.70 125.35 1a8u s SER 179 Ca -0.09 1.49 0.11 0.00 0.48 0.00 0.00 55.95 57.94 1a8u s SER 179 Cb -0.09 -2.48 1.03 0.00 0.10 0.00 0.00 66.02 64.57 1a8u s SER 179 CO -0.10 -1.00 2.08 -0.33 0.98 0.00 0.00 173.24 174.87 1a8u h GLU 180 N -0.30 0.26 -0.33 4.02 5.08 -1.97 -1.73 114.58 119.61 1a8u h GLU 180 Ca -0.44 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 1a8u h GLU 180 Cb 1.20 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1a8u h GLU 180 CO 0.60 0.20 -0.12 0.93 -1.00 0.00 0.00 179.01 179.63 1a8u h GLU 181 N 0.27 0.67 -0.33 2.33 3.07 -1.99 -0.18 114.58 118.42 1a8u h GLU 181 Ca 0.07 -0.27 -0.07 0.00 -0.50 0.00 0.00 59.36 58.59 1a8u h GLU 181 Cb 0.02 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1a8u h GLU 181 CO -0.01 0.86 -0.08 0.00 -1.40 0.00 0.00 179.01 178.38 1a8u h ALA 182 N 0.79 1.25 -0.53 3.43 0.00 -1.78 -1.06 119.26 121.37 1a8u h ALA 182 Ca 0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1a8u h ALA 182 Cb 0.63 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1a8u h ALA 182 CO 0.04 0.49 -0.10 0.28 0.00 0.00 0.00 179.25 179.97 1a8u h VAL 183 N 0.51 1.27 -0.84 0.00 2.07 -1.06 -2.45 116.25 115.75 1a8u h VAL 183 Ca 0.10 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 1a8u h VAL 183 Cb 0.45 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1a8u h VAL 183 CO 0.02 0.44 0.43 -0.09 0.02 0.00 0.00 177.57 178.39 1a8u h ARG 184 N 0.87 1.19 -0.93 1.57 9.65 -0.67 -1.26 114.38 124.80 1a8u h ARG 184 Ca 0.14 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1a8u h ARG 184 Cb 0.66 -0.22 -0.05 0.00 -1.39 0.00 0.00 29.97 28.97 1a8u h ARG 184 CO 0.05 0.89 0.57 -0.97 2.80 0.00 0.00 179.97 183.31 1a8u h ASN 185 N 1.19 1.12 -0.48 -3.80 -0.73 -0.98 0.06 115.58 111.96 1a8u h ASN 185 Ca 0.29 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.37 1a8u h ASN 185 Cb 0.07 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.36 1a8u h ASN 185 CO -0.04 0.85 0.20 0.28 -0.37 0.00 0.00 177.43 178.35 1a8u h SER 186 N 1.29 0.67 -0.57 1.15 0.02 -0.86 -1.30 113.55 113.94 1a8u h SER 186 Ca 0.34 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1a8u h SER 186 Cb -0.06 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1a8u h SER 186 CO -0.06 0.65 0.36 -0.25 -1.14 0.00 0.00 176.83 176.39 1a8u h TRP 187 N 0.64 0.69 -0.70 3.45 7.01 -0.75 -0.54 115.95 125.74 1a8u h TRP 187 Ca 0.16 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.20 1a8u h TRP 187 Cb 0.19 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 26.98 1a8u h TRP 187 CO 0.00 0.41 0.45 -0.91 -2.79 0.00 0.00 178.44 175.61 1a8u h ASN 188 N 0.73 0.77 -0.45 2.65 -0.26 -0.59 -0.03 115.58 118.39 1a8u h ASN 188 Ca 0.22 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1a8u h ASN 188 Cb -0.03 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.03 1a8u h ASN 188 CO -0.07 0.54 0.27 0.74 -1.06 0.00 0.00 177.43 177.85 1a8u h THR 189 N 0.91 1.14 -0.70 2.81 2.02 -0.75 -1.83 112.91 116.51 1a8u h THR 189 Ca 0.27 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1a8u h THR 189 Cb -0.05 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1a8u h THR 189 CO -0.08 0.14 0.44 0.00 0.37 0.00 0.00 175.52 176.39 1a8u h ALA 190 N 1.13 0.91 0.00 6.16 0.00 -0.49 -2.25 119.26 124.72 1a8u h ALA 190 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1a8u h ALA 190 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1a8u h ALA 190 CO -0.03 0.22 -0.28 0.00 0.00 0.00 0.00 179.25 179.15 1a8u h ALA 191 N 1.29 1.25 0.00 0.00 0.00 -0.77 -1.73 119.26 119.29 1a8u h ALA 191 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a8u h ALA 191 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1a8u h ALA 191 CO -0.10 0.35 0.00 0.66 0.00 0.00 0.00 179.25 180.16 1a8u h SER 192 N 0.00 0.00 -4.30 0.00 4.64 -0.74 -3.46 113.55 109.70 1a8u h SER 192 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1a8u h SER 192 Cb 0.61 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.82 1a8u h SER 192 CO 0.04 0.00 0.33 -0.83 -0.87 0.00 0.00 176.83 175.50 1a8u s GLY 193 N -3.72 1.61 0.37 -0.77 0.00 -0.65 -4.70 107.32 99.46 1a8u s GLY 193 Ca 0.07 -0.29 -0.27 0.00 0.00 0.00 0.00 44.72 44.23 1a8u s GLY 193 CO 0.53 0.16 1.21 -0.32 0.00 0.00 0.00 173.10 174.68 1a8u s GLY 194 N -3.97 2.93 0.24 0.20 0.00 0.32 -4.94 107.32 102.10 1a8u s GLY 194 Ca 0.61 1.06 -0.07 0.00 0.00 0.00 0.00 44.72 46.32 1a8u s GLY 194 CO 0.54 1.62 1.89 0.27 0.00 0.00 0.00 173.10 177.42 1a8u h PHE 195 N 2.94 1.11 -0.11 1.90 -0.00 -1.93 -1.52 116.94 119.32 1a8u h PHE 195 Ca -0.49 0.03 -0.04 0.00 -0.00 0.00 0.00 57.97 57.47 1a8u h PHE 195 Cb 1.23 -0.37 -0.00 0.00 -0.00 0.00 0.00 35.95 36.81 1a8u h PHE 195 CO 0.55 0.66 -0.10 0.35 -0.00 0.00 0.00 178.31 179.77 1a8u h PHE 196 N 1.16 0.32 -0.52 6.09 3.04 -1.92 -3.04 116.94 122.08 1a8u h PHE 196 Ca 0.35 -0.09 0.02 0.00 3.98 0.00 0.00 57.97 62.22 1a8u h PHE 196 Cb -0.05 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.36 1a8u h PHE 196 CO -0.01 0.67 0.34 0.00 -2.02 0.00 0.00 178.31 177.29 1a8u h ALA 197 N 0.60 1.68 -1.01 2.41 0.00 -1.78 -0.53 119.26 120.64 1a8u h ALA 197 Ca 0.02 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1a8u h ALA 197 Cb 0.61 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1a8u h ALA 197 CO 0.03 0.28 0.65 0.00 0.00 0.00 0.00 179.25 180.20 1a8u h ALA 198 N 1.69 1.38 0.00 0.00 0.00 -1.16 -0.36 119.26 120.82 1a8u h ALA 198 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1a8u h ALA 198 Cb -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1a8u h ALA 198 CO -0.05 0.48 -1.20 0.00 0.00 0.00 0.00 179.25 178.48 1a8u n ALA 199 N -2.37 3.30 0.01 0.00 0.00 -0.93 -4.22 120.51 116.30 1a8u n ALA 199 Ca 0.15 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 1a8u n ALA 199 Cb 0.16 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 1a8u n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a8u h ALA 200 N 2.42 0.58 -0.79 0.00 0.00 -0.86 -3.38 119.26 117.23 1a8u h ALA 200 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.62 1a8u h ALA 200 Cb 0.79 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1a8u h ALA 200 CO 0.00 1.43 0.50 0.00 0.00 0.00 0.00 179.25 181.18 1a8u h ALA 201 N 0.85 1.40 0.00 0.00 0.00 -1.24 -2.89 119.26 117.38 1a8u h ALA 201 Ca -0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1a8u h ALA 201 Cb 1.96 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1a8u h ALA 201 CO 0.10 0.54 -0.00 -1.35 0.00 0.00 0.00 179.25 178.54 1a8u h PRO 202 N 1.07 0.00 -0.04 0.00 0.11 -1.77 0.14 132.00 131.51 1a8u h PRO 202 Ca 0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.35 1a8u h PRO 202 Cb -0.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1a8u h PRO 202 CO -0.06 0.00 -0.18 1.15 -0.21 0.00 0.00 178.00 178.70 1a8u h THR 203 N 0.00 1.15 0.00 -1.15 2.02 -1.76 -1.81 112.91 111.36 1a8u h THR 203 Ca -0.00 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1a8u h THR 203 Cb 0.00 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1a8u h THR 203 CO 0.00 0.21 0.00 0.71 0.37 0.00 0.00 175.52 176.81 1a8u h THR 204 N 0.06 0.00 -0.10 3.16 1.35 -1.08 -3.31 112.91 112.99 1a8u h THR 204 Ca 0.01 -0.54 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 1a8u h THR 204 Cb 0.36 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1a8u h THR 204 CO 0.02 0.00 -0.03 -0.50 -0.25 0.00 0.00 175.52 174.77 1a8u h TRP 205 N 0.00 0.14 -0.94 4.73 6.55 -1.31 -2.18 115.95 122.95 1a8u h TRP 205 Ca 0.00 -0.00 -0.50 0.00 0.95 0.00 0.00 58.89 59.34 1a8u h TRP 205 Cb 0.67 -0.05 -0.29 0.00 -0.86 0.00 0.00 29.16 28.64 1a8u h TRP 205 CO 0.00 0.18 0.60 2.48 -1.05 0.00 0.00 178.44 180.65 1a8u n TYR 206 N -4.42 2.91 -1.73 0.49 0.18 -1.25 -4.50 117.16 108.85 1a8u n TYR 206 Ca -0.01 -1.87 -0.40 0.00 1.88 0.00 0.00 57.90 57.50 1a8u n TYR 206 Cb 0.16 -0.92 0.02 0.00 -0.38 0.00 0.00 39.34 38.22 1a8u n TYR 206 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1a8u n THR 207 N -1.14 2.95 -3.02 -3.48 -1.04 -0.82 -4.35 114.28 103.37 1a8u n THR 207 Ca 0.58 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.68 1a8u n THR 207 Cb 1.59 -1.67 -0.06 0.00 -1.82 0.00 0.00 70.33 68.37 1a8u n THR 207 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1a8u s ASP 208 N -0.61 6.68 -0.04 8.00 -1.08 -1.26 -4.37 116.67 123.98 1a8u s ASP 208 Ca 0.64 0.83 0.14 0.00 -0.52 0.00 0.00 52.55 53.64 1a8u s ASP 208 Cb -0.46 -2.38 0.44 0.00 -1.46 0.00 0.00 42.92 39.06 1a8u s ASP 208 CO 0.56 -0.43 1.37 0.49 0.52 0.00 0.00 175.17 177.68 1a8u n PHE 209 N 5.83 0.73 0.21 -5.34 3.72 -0.02 -4.67 117.46 117.92 1a8u n PHE 209 Ca 0.02 -0.56 0.05 0.00 -0.05 0.00 0.00 57.45 56.91 1a8u n PHE 209 Cb 0.48 -0.08 0.49 0.00 -0.94 0.00 0.00 39.48 39.43 1a8u n PHE 209 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a8u h ARG 210 N 2.64 0.05 0.00 -1.08 3.08 -1.89 0.34 114.38 117.51 1a8u h ARG 210 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1a8u h ARG 210 Cb 0.95 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1a8u h ARG 210 CO 0.06 0.20 -0.23 0.00 -1.07 0.00 0.00 179.97 178.93 1a8u h ALA 211 N 1.80 0.85 0.04 0.04 0.00 -1.93 -3.31 119.26 116.75 1a8u h ALA 211 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 1a8u h ALA 211 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1a8u h ALA 211 CO 0.02 0.00 -1.27 -0.44 0.00 0.00 0.00 179.25 177.56 1a8u h ASP 212 N 0.00 0.13 -0.62 0.00 3.32 -1.26 -3.39 116.42 114.59 1a8u h ASP 212 Ca 0.00 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 56.93 1a8u h ASP 212 Cb 0.78 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1a8u h ASP 212 CO 0.00 1.13 0.37 0.40 -1.72 0.00 0.00 179.24 179.42 1a8u h ILE 213 N 0.02 1.04 0.00 0.35 2.04 -1.54 -1.68 117.51 117.73 1a8u h ILE 213 Ca -0.12 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1a8u h ILE 213 Cb 1.89 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1a8u h ILE 213 CO 0.13 0.13 0.00 -0.65 0.00 0.00 0.00 178.15 177.77 1a8u h PRO 214 N 0.71 0.00 -0.01 2.37 0.11 -1.76 -1.52 132.00 131.91 1a8u h PRO 214 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1a8u h PRO 214 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1a8u h PRO 214 CO -0.13 0.00 -0.07 0.54 -0.21 0.00 0.00 178.00 178.13 1a8u n ARG 215 N -2.49 1.17 -2.43 1.05 1.74 -0.63 -4.78 116.66 110.28 1a8u n ARG 215 Ca -0.01 -0.54 -0.43 0.00 -0.77 0.00 0.00 57.85 56.11 1a8u n ARG 215 Cb 0.11 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 1a8u n ARG 215 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a8u s ILE 216 N -2.20 3.95 -0.18 0.55 1.01 -0.57 -4.74 121.20 119.02 1a8u s ILE 216 Ca 0.35 0.93 0.15 0.00 0.00 0.00 0.00 60.65 62.08 1a8u s ILE 216 Cb 0.21 -4.39 0.38 0.00 0.01 0.00 0.00 42.46 38.66 1a8u s ILE 216 CO 0.41 -0.96 1.22 -0.90 0.00 0.00 0.00 174.94 174.71 1a8u n ASP 217 N 8.77 2.17 -4.36 3.58 5.75 -1.26 -5.01 116.55 126.18 1a8u n ASP 217 Ca 0.14 -3.50 -0.18 0.00 -0.01 0.00 0.00 54.79 51.24 1a8u n ASP 217 Cb 0.49 -0.50 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 1a8u n ASP 217 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1a8u s VAL 218 N -3.06 1.27 0.29 2.12 -7.23 -1.26 -5.11 120.40 107.42 1a8u s VAL 218 Ca 0.36 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 1a8u s VAL 218 Cb 0.33 -2.35 -0.13 0.00 0.56 0.00 0.00 36.38 34.79 1a8u s VAL 218 CO -0.01 -0.34 1.32 -2.65 -0.31 0.00 0.00 175.10 173.10 1a8u n PRO 219 N -0.46 2.01 -4.22 4.82 -0.02 -1.26 -4.76 135.00 131.11 1a8u n PRO 219 Ca -0.06 0.71 -0.18 0.00 -2.02 0.00 0.00 63.50 61.96 1a8u n PRO 219 Cb 0.63 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 1a8u n PRO 219 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a8u s ALA 220 N -0.61 0.97 -0.06 3.55 0.00 -1.26 -1.24 121.76 123.11 1a8u s ALA 220 Ca 0.62 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.81 1a8u s ALA 220 Cb -0.62 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 1a8u s ALA 220 CO 0.56 0.14 -0.19 -1.17 0.00 0.00 0.00 175.76 175.10 1a8u s LEU 221 N -1.31 1.94 -0.13 0.00 2.96 -0.72 -0.57 118.68 120.84 1a8u s LEU 221 Ca -0.02 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1a8u s LEU 221 Cb -0.08 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.51 1a8u s LEU 221 CO 0.01 0.16 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.40 1a8u s ILE 222 N 0.12 1.68 -0.01 6.68 1.01 0.53 -0.32 121.20 130.89 1a8u s ILE 222 Ca -0.07 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1a8u s ILE 222 Cb -0.14 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.80 1a8u s ILE 222 CO 0.04 0.48 -0.07 -0.22 0.00 0.00 0.00 174.94 175.16 1a8u s LEU 223 N 1.12 1.94 0.03 2.97 0.20 -0.32 -0.87 118.68 123.75 1a8u s LEU 223 Ca -0.02 -0.13 -0.18 0.00 0.69 0.00 0.00 54.13 54.48 1a8u s LEU 223 Cb -0.14 -0.39 0.04 0.00 -0.43 0.00 0.00 46.19 45.27 1a8u s LEU 223 CO -0.05 0.08 0.41 -2.28 -0.29 0.00 0.00 176.35 174.21 1a8u s HIS 224 N -0.06 -0.28 0.07 5.38 2.46 -0.71 -0.81 115.29 121.34 1a8u s HIS 224 Ca 0.01 0.29 -0.17 0.00 0.47 0.00 0.00 55.06 55.67 1a8u s HIS 224 Cb -0.04 0.21 -0.06 0.00 -0.13 0.00 0.00 32.58 32.55 1a8u s HIS 224 CO -0.00 -0.54 0.51 0.20 -2.47 0.00 0.00 174.74 172.44 1a8u s GLY 225 N -1.82 2.57 0.16 1.59 0.00 -1.26 -0.65 107.32 107.90 1a8u s GLY 225 Ca -0.07 -0.08 0.24 0.00 0.00 0.00 0.00 44.72 44.80 1a8u s GLY 225 CO -0.00 0.29 1.74 -1.30 0.00 0.00 0.00 173.10 173.82 1a8u n THR 226 N 1.55 0.63 -0.98 0.90 -2.24 -0.66 -2.72 114.28 110.75 1a8u n THR 226 Ca -0.10 0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.72 1a8u n THR 226 Cb 0.51 -0.82 0.35 0.00 -2.10 0.00 0.00 70.33 68.28 1a8u n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a8u n GLY 227 N 0.72 3.41 3.64 3.38 0.00 0.26 -4.83 105.19 111.77 1a8u n GLY 227 Ca 0.04 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1a8u n GLY 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a8u s ASP 228 N -1.10 6.44 0.10 1.61 -1.08 -1.06 -4.35 116.67 117.24 1a8u s ASP 228 Ca 0.53 1.79 0.23 0.00 -0.52 0.00 0.00 52.55 54.58 1a8u s ASP 228 Cb 0.41 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 39.37 1a8u s ASP 228 CO 0.14 -1.18 1.02 0.54 0.52 0.00 0.00 175.17 176.21 1a8u n ARG 229 N 7.52 0.44 -0.08 4.34 1.74 -1.26 -3.80 116.66 125.55 1a8u n ARG 229 Ca 0.19 0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 57.15 1a8u n ARG 229 Cb 0.45 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 30.12 1a8u n ARG 229 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1a8u h THR 230 N 0.00 0.83 -3.37 0.55 2.02 -1.88 -3.43 112.91 107.63 1a8u h THR 230 Ca 0.00 -1.86 -0.64 0.00 0.77 0.00 0.00 66.41 64.68 1a8u h THR 230 Cb 0.85 1.81 -0.41 0.00 -1.74 0.00 0.00 68.15 68.66 1a8u h THR 230 CO 0.00 0.28 -0.65 -0.76 0.37 0.00 0.00 175.52 174.76 1a8u s LEU 231 N -8.09 4.20 0.16 2.58 1.43 -1.26 -5.10 118.68 112.60 1a8u s LEU 231 Ca -0.21 -2.90 -0.34 0.00 -1.03 0.00 0.00 54.13 49.65 1a8u s LEU 231 Cb 0.03 -1.58 -0.14 0.00 0.03 0.00 0.00 46.19 44.52 1a8u s LEU 231 CO 0.48 -0.25 1.48 -2.65 0.23 0.00 0.00 176.35 175.64 1a8u n PRO 232 N 3.25 1.88 0.15 1.29 -0.02 -1.25 -4.77 135.00 135.53 1a8u n PRO 232 Ca 0.05 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.34 1a8u n PRO 232 Cb 0.33 -2.39 0.67 0.00 -0.02 0.00 0.00 33.50 32.09 1a8u n PRO 232 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1a8u h ILE 233 N 3.42 0.87 0.00 4.25 2.10 -1.82 -1.52 117.51 124.81 1a8u h ILE 233 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1a8u h ILE 233 Cb 1.28 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 1a8u h ILE 233 CO 0.84 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 176.07 1a8u n GLU 234 N -4.45 0.20 0.00 2.19 0.00 -1.26 -1.62 120.64 115.70 1a8u n GLU 234 Ca 0.02 0.30 0.08 0.00 0.00 0.00 0.00 57.16 57.56 1a8u n GLU 234 Cb 0.31 -1.81 -0.02 0.00 0.00 0.00 0.00 31.44 29.92 1a8u n GLU 234 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1a8u n ASN 235 N -2.17 1.37 0.00 -1.84 4.13 -0.60 -4.52 115.26 111.63 1a8u n ASN 235 Ca 0.04 -1.19 0.00 0.00 1.68 0.00 0.00 54.58 55.11 1a8u n ASN 235 Cb 0.32 0.61 0.00 0.00 -1.54 0.00 0.00 39.78 39.17 1a8u n ASN 235 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1a8u n THR 236 N -0.45 0.00 -0.26 3.41 -2.24 -1.06 -4.54 114.28 109.13 1a8u n THR 236 Ca 0.06 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.85 1a8u n THR 236 Cb 0.31 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.68 1a8u n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a8u h ALA 237 N 1.00 1.05 -0.00 6.98 0.00 -1.68 0.12 119.26 126.72 1a8u h ALA 237 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1a8u h ALA 237 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a8u h ALA 237 CO 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 179.25 178.99 1a8u h ARG 238 N 0.73 0.01 0.10 0.00 3.08 -1.60 0.13 114.38 116.82 1a8u h ARG 238 Ca 0.36 -0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.12 1a8u h ARG 238 Cb 0.30 -0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.37 1a8u h ARG 238 CO -0.23 0.33 -1.19 0.28 -1.07 0.00 0.00 179.97 178.09 1a8u h VAL 239 N 0.01 1.34 -0.89 2.04 2.07 -1.42 -3.14 116.25 116.24 1a8u h VAL 239 Ca -0.00 -2.55 -0.02 0.00 0.82 0.00 0.00 66.70 64.95 1a8u h VAL 239 Cb 0.57 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 1a8u h VAL 239 CO 0.04 0.77 0.48 0.15 0.02 0.00 0.00 177.57 179.03 1a8u h PHE 240 N 0.24 1.24 -0.58 1.57 3.57 -0.41 -1.78 116.94 120.79 1a8u h PHE 240 Ca -0.16 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 1a8u h PHE 240 Cb 1.86 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 1a8u h PHE 240 CO 0.10 0.87 0.36 1.25 -2.23 0.00 0.00 178.31 178.65 1a8u h HIS 241 N 1.26 0.75 0.00 0.41 2.76 -0.78 -0.05 115.15 119.50 1a8u h HIS 241 Ca 0.31 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.34 1a8u h HIS 241 Cb 0.05 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 1a8u h HIS 241 CO 0.01 0.49 -0.72 0.87 -1.30 0.00 0.00 177.93 177.28 1a8u h LYS 242 N 0.80 0.00 0.00 5.26 1.57 -1.30 -2.77 116.57 120.12 1a8u h LYS 242 Ca 0.21 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1a8u h LYS 242 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1a8u h LYS 242 CO -0.04 0.72 -0.18 0.00 -0.57 0.00 0.00 179.45 179.38 1a8u h ALA 243 N 1.28 0.88 -2.11 3.86 0.00 -0.57 -3.37 119.26 119.23 1a8u h ALA 243 Ca -0.01 -0.17 -0.57 0.00 0.00 0.00 0.00 54.91 54.17 1a8u h ALA 243 Cb 1.38 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.75 1a8u h ALA 243 CO 0.09 0.23 -1.03 -0.11 0.00 0.00 0.00 179.25 178.43 1a8u n LEU 244 N -3.15 0.36 0.28 0.00 7.94 -0.12 -4.85 117.00 117.46 1a8u n LEU 244 Ca 0.03 -4.69 0.17 0.00 -1.11 0.00 0.00 56.01 50.41 1a8u n LEU 244 Cb 0.60 0.50 0.77 0.00 0.53 0.00 0.00 43.42 45.81 1a8u n LEU 244 CO 0.36 2.02 1.00 1.55 -1.11 0.00 0.00 177.39 181.22 1a8u h PRO 245 N 4.37 0.00 0.00 1.96 0.13 -1.66 -2.39 132.00 134.41 1a8u h PRO 245 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1a8u h PRO 245 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1a8u h PRO 245 CO 0.48 0.05 0.00 0.66 -0.23 0.00 0.00 178.00 178.95 1a8u h SER 246 N 0.00 0.00 -3.90 1.44 4.64 -1.94 -3.45 113.55 110.33 1a8u h SER 246 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1a8u h SER 246 Cb 0.42 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.55 1a8u h SER 246 CO 0.01 0.00 0.50 0.00 -0.87 0.00 0.00 176.83 176.47 1a8u s ALA 247 N -3.31 3.25 0.28 5.18 0.00 -0.90 -4.84 121.76 121.41 1a8u s ALA 247 Ca 0.06 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1a8u s ALA 247 Cb 0.09 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.73 1a8u s ALA 247 CO 0.53 -0.41 1.62 -2.00 0.00 0.00 0.00 175.76 175.50 1a8u s GLU 248 N -2.05 4.12 -0.12 0.00 2.56 0.26 -4.83 118.70 118.65 1a8u s GLU 248 Ca 0.53 2.58 0.00 0.00 0.00 0.00 0.00 54.97 58.08 1a8u s GLU 248 Cb -0.31 -3.03 0.02 0.00 2.00 0.00 0.00 34.13 32.81 1a8u s GLU 248 CO 0.39 -0.65 -0.11 -0.47 -0.56 0.00 0.00 175.26 173.86 1a8u s TYR 249 N 0.22 1.78 -0.09 5.30 5.04 -1.26 -0.34 117.35 128.00 1a8u s TYR 249 Ca 0.65 -0.92 0.01 0.00 -2.44 0.00 0.00 57.07 54.38 1a8u s TYR 249 Cb -0.48 -1.37 0.02 0.00 0.35 0.00 0.00 41.96 40.48 1a8u s TYR 249 CO 0.45 -0.54 -0.11 0.08 -1.34 0.00 0.00 175.55 174.09 1a8u s VAL 250 N 1.45 1.13 -0.21 3.14 1.01 -0.05 -5.00 120.40 121.87 1a8u s VAL 250 Ca 0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1a8u s VAL 250 Cb -0.13 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1a8u s VAL 250 CO -0.07 0.37 0.00 -1.61 0.00 0.00 0.00 175.10 173.79 1a8u s GLU 251 N 1.15 3.60 -0.46 2.72 2.02 -1.26 -1.74 118.70 124.73 1a8u s GLU 251 Ca -0.05 -0.53 -0.18 0.00 0.02 0.00 0.00 54.97 54.23 1a8u s GLU 251 Cb -0.14 -3.10 0.04 0.00 0.10 0.00 0.00 34.13 31.02 1a8u s GLU 251 CO -0.02 -0.04 0.53 0.08 0.02 0.00 0.00 175.26 175.83 1a8u s VAL 252 N 1.14 4.99 0.05 2.63 1.01 0.18 -4.94 120.40 125.45 1a8u s VAL 252 Ca 0.03 -0.41 -0.32 0.00 0.00 0.00 0.00 61.98 61.29 1a8u s VAL 252 Cb -0.14 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 1a8u s VAL 252 CO 0.01 -0.60 1.88 1.21 0.00 0.00 0.00 175.10 177.61 1a8u n GLU 253 N 5.86 2.65 -0.72 2.72 4.07 -1.26 -1.66 120.64 132.30 1a8u n GLU 253 Ca -0.07 0.97 0.00 0.00 -0.06 0.00 0.00 57.16 58.00 1a8u n GLU 253 Cb 0.46 -2.87 0.00 0.00 -0.06 0.00 0.00 31.44 28.98 1a8u n GLU 253 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a8u n GLY 254 N 4.34 1.39 3.78 8.31 0.00 -1.26 -4.87 105.19 116.88 1a8u n GLY 254 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1a8u n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8u s ALA 255 N -3.55 2.98 0.83 4.61 0.00 -0.95 -4.32 121.76 121.35 1a8u s ALA 255 Ca 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 1a8u s ALA 255 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1a8u s ALA 255 CO 0.00 -0.40 0.14 -0.35 0.00 0.00 0.00 175.76 175.15 1a8u n PRO 256 N -0.49 0.06 -0.17 0.00 -0.04 -1.26 -0.58 135.00 132.52 1a8u n PRO 256 Ca 0.07 -0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.18 1a8u n PRO 256 Cb 0.50 -0.13 0.01 0.00 -0.04 0.00 0.00 33.50 33.83 1a8u n PRO 256 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1a8u h HIS 257 N -0.88 0.86 -0.41 0.54 -0.00 -1.71 -3.28 115.15 110.27 1a8u h HIS 257 Ca -0.05 -0.11 -0.37 0.00 -0.00 0.00 0.00 60.37 59.84 1a8u h HIS 257 Cb 0.14 -0.24 -0.10 0.00 -0.00 0.00 0.00 27.41 27.21 1a8u h HIS 257 CO 0.00 0.78 0.46 0.41 -0.00 0.00 0.00 177.93 179.58 1a8u n GLY 258 N -0.55 3.69 0.00 5.26 0.00 0.32 -4.57 105.19 109.33 1a8u n GLY 258 Ca 0.01 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.66 1a8u n GLY 258 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1a8u n LEU 259 N 2.05 0.00 0.07 0.99 -0.00 -1.24 -2.39 117.00 116.49 1a8u n LEU 259 Ca 0.50 0.45 0.04 0.00 -0.00 0.00 0.00 56.01 57.00 1a8u n LEU 259 Cb 0.69 -0.45 0.44 0.00 -0.00 0.00 0.00 43.42 44.10 1a8u n LEU 259 CO 0.30 -0.03 1.06 -0.07 -0.00 0.00 0.00 177.39 178.65 1a8u h LEU 260 N 0.00 0.34 0.00 1.47 3.38 -1.88 -1.56 115.31 117.05 1a8u h LEU 260 Ca 0.00 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 1a8u h LEU 260 Cb 0.43 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1a8u h LEU 260 CO 0.00 0.31 -1.50 1.87 0.09 0.00 0.00 178.44 179.22 1a8u n TRP 261 N -4.42 0.50 0.07 1.13 -0.00 -1.08 -3.68 117.44 109.95 1a8u n TRP 261 Ca 0.01 0.22 0.00 0.00 -0.00 0.00 0.00 57.50 57.73 1a8u n TRP 261 Cb 0.13 -0.90 0.32 0.00 -0.00 0.00 0.00 31.31 30.85 1a8u n TRP 261 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 1a8u h THR 262 N -1.00 1.21 -0.90 5.87 1.35 -1.51 -3.03 112.91 114.91 1a8u h THR 262 Ca -0.34 -0.93 -0.47 0.00 -0.55 0.00 0.00 66.41 64.11 1a8u h THR 262 Cb 1.21 1.22 -0.42 0.00 -1.73 0.00 0.00 68.15 68.43 1a8u h THR 262 CO -0.21 0.30 -0.91 1.41 -0.25 0.00 0.00 175.52 175.86 1a8u n HIS 263 N -4.23 2.40 -0.24 4.73 8.25 -0.60 -4.88 115.22 120.65 1a8u n HIS 263 Ca -0.00 -2.49 0.04 0.00 -0.26 0.00 0.00 57.72 55.01 1a8u n HIS 263 Cb 0.30 -0.26 0.28 0.00 1.12 0.00 0.00 29.99 31.43 1a8u n HIS 263 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a8u h ALA 264 N 2.47 1.56 -0.31 -1.41 0.00 -1.43 -1.16 119.26 118.97 1a8u h ALA 264 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1a8u h ALA 264 Cb 1.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1a8u h ALA 264 CO 0.63 0.34 0.20 0.93 0.00 0.00 0.00 179.25 181.35 1a8u h GLU 265 N 0.94 0.40 -0.68 0.00 4.39 -1.89 0.23 114.58 117.97 1a8u h GLU 265 Ca 0.33 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.95 1a8u h GLU 265 Cb 0.13 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1a8u h GLU 265 CO -0.11 0.27 0.21 0.93 -1.16 0.00 0.00 179.01 179.15 1a8u h GLU 266 N 0.42 1.07 -0.28 2.33 3.07 -1.79 -0.66 114.58 118.73 1a8u h GLU 266 Ca 0.12 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 58.69 1a8u h GLU 266 Cb -0.04 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 1a8u h GLU 266 CO -0.03 0.92 -0.03 0.28 -1.40 0.00 0.00 179.01 178.76 1a8u h VAL 267 N 1.00 1.27 -0.67 3.13 2.07 -0.96 -2.16 116.25 119.92 1a8u h VAL 267 Ca 0.22 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1a8u h VAL 267 Cb 0.30 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1a8u h VAL 267 CO -0.01 0.32 0.23 0.78 0.02 0.00 0.00 177.57 178.91 1a8u h ASN 268 N 0.28 0.96 -0.21 0.57 2.35 -0.43 0.10 115.58 119.20 1a8u h ASN 268 Ca 0.08 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1a8u h ASN 268 Cb 0.47 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1a8u h ASN 268 CO 0.02 0.90 0.13 0.74 -1.65 0.00 0.00 177.43 177.57 1a8u h THR 269 N 0.97 1.07 -0.33 2.81 2.02 -1.05 -0.76 112.91 117.64 1a8u h THR 269 Ca 0.22 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 1a8u h THR 269 Cb 0.27 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1a8u h THR 269 CO -0.01 0.07 0.10 0.00 0.37 0.00 0.00 175.52 176.05 1a8u h ALA 270 N 1.05 0.43 -0.56 6.16 0.00 -1.21 -1.97 119.26 123.17 1a8u h ALA 270 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1a8u h ALA 270 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1a8u h ALA 270 CO -0.02 0.07 0.20 1.25 0.00 0.00 0.00 179.25 180.76 1a8u h LEU 271 N 0.38 0.79 -0.69 0.00 5.85 -0.64 -1.96 115.31 119.04 1a8u h LEU 271 Ca 0.11 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 1a8u h LEU 271 Cb 0.25 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1a8u h LEU 271 CO -0.00 0.76 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.45 1a8u h LEU 272 N 0.77 0.66 -0.90 2.25 3.38 -1.11 -0.20 115.31 120.16 1a8u h LEU 272 Ca 0.18 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1a8u h LEU 272 Cb 0.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1a8u h LEU 272 CO -0.01 0.94 0.08 0.00 0.09 0.00 0.00 178.44 179.54 1a8u h ALA 273 N 1.10 1.10 -0.31 1.53 0.00 -1.23 -1.30 119.26 120.13 1a8u h ALA 273 Ca 0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1a8u h ALA 273 Cb 0.84 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1a8u h ALA 273 CO 0.07 0.59 -0.15 0.35 0.00 0.00 0.00 179.25 180.11 1a8u h PHE 274 N 0.85 0.75 0.00 0.00 3.57 -0.96 -3.06 116.94 118.09 1a8u h PHE 274 Ca 0.17 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1a8u h PHE 274 Cb 0.39 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1a8u h PHE 274 CO 0.02 0.87 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.76 1a8u h LEU 275 N 0.42 0.00 -0.67 0.59 3.38 -0.86 -2.84 115.31 115.33 1a8u h LEU 275 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a8u h LEU 275 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1a8u h LEU 275 CO 0.04 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1a8u h ALA 276 N 1.86 1.00 0.00 1.53 0.00 -1.13 -3.51 119.26 119.01 1a8u h ALA 276 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a8u h ALA 276 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1a8u h ALA 276 CO 0.02 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.90