#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uxs s SER 2 N 0.00 6.43 0.09 1.61 0.01 -1.26 -3.23 113.70 117.35 1uxs s SER 2 Ca 0.00 0.80 -0.05 0.00 1.31 0.00 0.00 55.95 58.01 1uxs s SER 2 Cb 0.00 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 1uxs s SER 2 CO 0.00 -0.28 0.12 -1.00 0.41 0.00 0.00 173.24 172.49 1uxs s HIS 3 N -2.22 0.38 0.08 2.43 0.09 -0.46 -4.98 115.29 110.62 1uxs s HIS 3 Ca 0.45 -0.84 0.02 0.00 -0.00 0.00 0.00 55.06 54.70 1uxs s HIS 3 Cb -0.10 -0.21 -0.04 0.00 -0.00 0.00 0.00 32.58 32.23 1uxs s HIS 3 CO 0.32 -0.51 -0.07 -1.54 -0.00 0.00 0.00 174.74 172.93 1uxs s SER 4 N -2.91 1.09 -0.02 1.40 1.04 -1.26 -0.77 113.70 112.25 1uxs s SER 4 Ca 0.09 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.74 1uxs s SER 4 Cb 0.06 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 1uxs s SER 4 CO -0.08 -0.35 -0.13 -0.32 0.98 0.00 0.00 173.24 173.34 1uxs s MET 5 N -2.92 1.23 -0.02 4.02 -2.45 0.00 -0.97 119.30 118.19 1uxs s MET 5 Ca 0.03 -0.47 -0.02 0.00 -1.25 0.00 0.00 55.69 53.99 1uxs s MET 5 Cb -0.01 -1.14 0.00 0.00 1.25 0.00 0.00 34.83 34.93 1uxs s MET 5 CO -0.02 0.23 0.05 1.03 1.05 0.00 0.00 175.02 177.36 1uxs s ARG 6 N -0.10 0.08 -0.14 4.11 1.81 -0.50 -1.60 118.95 122.62 1uxs s ARG 6 Ca 0.01 0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.07 1uxs s ARG 6 Cb -0.08 0.04 -0.01 0.00 -0.45 0.00 0.00 34.95 34.45 1uxs s ARG 6 CO 0.00 -0.01 -0.15 0.71 -0.68 0.00 0.00 175.30 175.17 1uxs s TYR 7 N -0.05 2.78 -0.05 -0.53 2.02 -0.09 -0.85 117.35 120.58 1uxs s TYR 7 Ca -0.01 -0.89 0.03 0.00 -0.37 0.00 0.00 57.07 55.83 1uxs s TYR 7 Cb -0.01 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 1uxs s TYR 7 CO 0.00 -0.37 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.43 1uxs s PHE 8 N 0.63 2.79 -0.02 2.71 0.08 -0.01 -1.99 117.98 122.17 1uxs s PHE 8 Ca -0.08 -0.09 -0.01 0.00 0.12 0.00 0.00 56.93 56.87 1uxs s PHE 8 Cb -0.16 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 1uxs s PHE 8 CO 0.03 0.25 0.05 -1.01 -0.10 0.00 0.00 175.22 174.44 1uxs s HIS 9 N -0.78 -0.03 -0.05 0.36 3.76 -0.04 -1.63 115.29 116.88 1uxs s HIS 9 Ca 0.12 0.16 -0.00 0.00 -0.15 0.00 0.00 55.06 55.19 1uxs s HIS 9 Cb -0.11 -0.10 0.03 0.00 1.11 0.00 0.00 32.58 33.51 1uxs s HIS 9 CO 0.01 -0.07 -0.00 0.99 -0.85 0.00 0.00 174.74 174.82 1uxs s THR 10 N 0.60 0.29 -0.06 1.30 2.01 -0.42 -1.51 115.64 117.85 1uxs s THR 10 Ca -0.05 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1uxs s THR 10 Cb -0.07 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1uxs s THR 10 CO -0.02 0.21 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.57 1uxs s SER 11 N 1.46 4.30 -0.15 3.53 0.01 -0.35 -1.30 113.70 121.20 1uxs s SER 11 Ca -0.03 -0.13 -0.00 0.00 1.31 0.00 0.00 55.95 57.10 1uxs s SER 11 Cb -0.13 -1.04 0.03 0.00 0.21 0.00 0.00 66.02 65.09 1uxs s SER 11 CO -0.03 0.34 -0.08 -0.69 0.41 0.00 0.00 173.24 173.20 1uxs s VAL 12 N -0.68 1.18 0.58 3.43 1.01 -0.35 -1.05 120.40 124.51 1uxs s VAL 12 Ca 0.10 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1uxs s VAL 12 Cb -0.11 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1uxs s VAL 12 CO 0.01 0.26 1.02 -0.94 0.00 0.00 0.00 175.10 175.45 1uxs s SER 13 N 1.62 6.27 -0.45 3.32 1.04 -0.40 -1.71 113.70 123.40 1uxs s SER 13 Ca 0.03 1.56 0.06 0.00 0.48 0.00 0.00 55.95 58.08 1uxs s SER 13 Cb -0.14 -2.50 0.22 0.00 0.10 0.00 0.00 66.02 63.70 1uxs s SER 13 CO -0.08 -0.83 0.63 -2.11 0.98 0.00 0.00 173.24 171.82 1uxs n ARG 14 N -2.16 0.59 -1.68 4.02 1.85 -1.26 -4.11 116.66 113.92 1uxs n ARG 14 Ca 0.07 -2.56 -0.45 0.00 -1.00 0.00 0.00 57.85 53.91 1uxs n ARG 14 Cb 0.54 -1.43 -0.03 0.00 -1.05 0.00 0.00 32.46 30.49 1uxs n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1uxs n PRO 15 N 2.05 2.11 -0.75 2.89 -0.02 -1.26 -0.69 135.00 139.33 1uxs n PRO 15 Ca 0.19 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1uxs n PRO 15 Cb 0.55 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1uxs n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uxs n GLY 16 N 2.39 1.25 2.39 -1.23 0.00 -1.26 -4.88 105.19 103.85 1uxs n GLY 16 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1uxs n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uxs n ARG 17 N -2.00 2.77 0.00 1.61 1.74 0.13 -5.11 116.66 115.80 1uxs n ARG 17 Ca 0.00 -3.90 0.00 0.00 -0.77 0.00 0.00 57.85 53.18 1uxs n ARG 17 Cb 0.00 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1uxs n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uxs n GLY 18 N -0.62 -1.63 3.86 -0.13 0.00 -1.25 -4.90 105.19 100.52 1uxs n GLY 18 Ca 0.28 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1uxs n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uxs s GLU 19 N 0.00 3.09 0.59 1.61 0.41 -1.26 -4.58 118.70 118.56 1uxs s GLU 19 Ca 0.00 0.65 -0.20 0.00 -0.41 0.00 0.00 54.97 55.01 1uxs s GLU 19 Cb 0.00 -2.03 -0.04 0.00 -1.78 0.00 0.00 34.13 30.28 1uxs s GLU 19 CO 0.00 -0.91 1.28 -2.30 -0.49 0.00 0.00 175.26 172.84 1uxs n PRO 20 N -2.96 1.36 -2.80 0.39 -0.02 -1.26 -4.74 135.00 124.97 1uxs n PRO 20 Ca 0.07 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 1uxs n PRO 20 Cb 0.55 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1uxs n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1uxs s ARG 21 N -3.04 4.63 -0.12 -0.52 3.52 -0.69 -4.86 118.95 117.87 1uxs s ARG 21 Ca 0.76 1.34 0.02 0.00 -0.13 0.00 0.00 55.73 57.72 1uxs s ARG 21 Cb -0.41 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.62 1uxs s ARG 21 CO 0.46 0.21 -0.18 0.12 -0.81 0.00 0.00 175.30 175.09 1uxs s PHE 22 N 0.07 2.30 -0.06 5.12 5.36 -1.26 -1.22 117.98 128.30 1uxs s PHE 22 Ca 0.45 -1.13 0.01 0.00 -0.96 0.00 0.00 56.93 55.30 1uxs s PHE 22 Cb -0.22 -1.61 0.02 0.00 -0.34 0.00 0.00 43.02 40.87 1uxs s PHE 22 CO 0.28 -0.54 -0.07 0.42 -1.46 0.00 0.00 175.22 173.84 1uxs s ILE 23 N 0.92 0.76 0.03 3.12 1.01 -0.42 -0.99 121.20 125.63 1uxs s ILE 23 Ca -0.06 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1uxs s ILE 23 Cb -0.15 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 1uxs s ILE 23 CO -0.02 0.28 -0.10 0.28 0.00 0.00 0.00 174.94 175.38 1uxs s THR 24 N 0.89 0.78 0.05 2.92 -1.32 -0.39 -1.30 115.64 117.27 1uxs s THR 24 Ca -0.11 -0.81 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 1uxs s THR 24 Cb -0.15 -0.73 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 1uxs s THR 24 CO 0.01 -0.06 -0.10 0.68 -2.21 0.00 0.00 174.62 172.94 1uxs s VAL 25 N -0.79 0.72 0.00 5.08 -7.23 -0.65 -0.83 120.40 116.71 1uxs s VAL 25 Ca -0.01 -1.17 0.08 0.00 -1.81 0.00 0.00 61.98 59.06 1uxs s VAL 25 Cb -0.07 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.07 1uxs s VAL 25 CO 0.01 -0.35 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.37 1uxs s GLY 26 N -1.67 1.34 0.03 2.32 0.00 -0.50 -0.83 107.32 108.01 1uxs s GLY 26 Ca -0.07 -1.16 0.07 0.00 0.00 0.00 0.00 44.72 43.56 1uxs s GLY 26 CO 0.01 -0.99 -0.19 -0.19 0.00 0.00 0.00 173.10 171.73 1uxs s TYR 27 N -0.69 1.70 -0.19 1.90 2.02 -0.03 -0.86 117.35 121.21 1uxs s TYR 27 Ca 0.11 -0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1uxs s TYR 27 Cb -0.10 -1.03 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 1uxs s TYR 27 CO 0.00 0.06 -0.06 0.08 -1.57 0.00 0.00 175.55 174.06 1uxs s VAL 28 N -0.72 3.40 0.00 0.71 1.01 -0.48 -1.41 120.40 122.91 1uxs s VAL 28 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1uxs s VAL 28 Cb -0.08 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1uxs s VAL 28 CO 0.01 0.46 0.00 0.47 0.00 0.00 0.00 175.10 176.04 1uxs n ASP 29 N 4.26 0.00 -1.96 3.32 8.00 -0.14 -0.89 116.55 129.12 1uxs n ASP 29 Ca -0.18 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.25 1uxs n ASP 29 Cb 0.52 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.89 1uxs n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1uxs n ASP 30 N 3.42 4.58 -4.26 -2.24 8.00 -1.26 -4.89 116.55 119.90 1uxs n ASP 30 Ca 0.00 -3.17 -0.35 0.00 0.71 0.00 0.00 54.79 51.98 1uxs n ASP 30 Cb 0.00 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.22 1uxs n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1uxs s THR 31 N -2.84 3.22 0.17 -3.53 2.01 -0.07 -5.02 115.64 109.58 1uxs s THR 31 Ca 0.52 -0.82 -0.31 0.00 0.31 0.00 0.00 61.69 61.39 1uxs s THR 31 Cb 0.41 -2.59 -0.09 0.00 0.01 0.00 0.00 72.50 70.24 1uxs s THR 31 CO 0.13 0.23 1.41 -0.22 -0.69 0.00 0.00 174.62 175.48 1uxs s LEU 32 N 1.40 4.38 0.00 4.42 2.96 -1.26 -1.38 118.68 129.20 1uxs s LEU 32 Ca 0.02 2.46 0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1uxs s LEU 32 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1uxs s LEU 32 CO -0.03 -0.66 0.00 2.22 -1.32 0.00 0.00 176.35 176.56 1uxs n PHE 33 N 3.29 0.00 -3.89 5.38 -1.74 -0.04 -4.13 117.46 116.33 1uxs n PHE 33 Ca 0.10 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.89 1uxs n PHE 33 Cb 0.41 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.33 1uxs n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1uxs s VAL 34 N -1.31 0.12 0.00 1.97 -7.23 -1.20 -0.74 120.40 112.02 1uxs s VAL 34 Ca 0.00 -1.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.99 1uxs s VAL 34 Cb 0.00 -0.95 0.03 0.00 0.56 0.00 0.00 36.38 36.02 1uxs s VAL 34 CO 0.00 -0.57 0.34 0.00 -0.31 0.00 0.00 175.10 174.57 1uxs s ARG 35 N -2.71 0.75 -0.09 4.82 1.04 -0.82 -1.41 118.95 120.52 1uxs s ARG 35 Ca -0.04 -0.25 -0.05 0.00 -1.04 0.00 0.00 55.73 54.35 1uxs s ARG 35 Cb -0.00 0.33 0.04 0.00 -2.04 0.00 0.00 34.95 33.28 1uxs s ARG 35 CO -0.05 -0.22 0.22 0.12 -0.04 0.00 0.00 175.30 175.33 1uxs s PHE 36 N -1.70 -0.28 -0.11 5.89 2.19 -0.01 -0.96 117.98 123.00 1uxs s PHE 36 Ca -0.11 0.69 -0.00 0.00 0.33 0.00 0.00 56.93 57.84 1uxs s PHE 36 Cb -0.03 0.02 0.02 0.00 -1.31 0.00 0.00 43.02 41.72 1uxs s PHE 36 CO 0.02 -0.20 -0.08 0.34 1.83 0.00 0.00 175.22 177.13 1uxs s ASP 37 N 1.10 2.12 0.59 6.13 -1.08 -1.26 -1.27 116.67 123.01 1uxs s ASP 37 Ca -0.08 -0.30 0.37 0.00 -0.52 0.00 0.00 52.55 52.02 1uxs s ASP 37 Cb -0.10 -0.84 1.78 0.00 -1.46 0.00 0.00 42.92 42.30 1uxs s ASP 37 CO -0.07 -0.10 2.14 0.77 0.52 0.00 0.00 175.17 178.43 1uxs h SER 38 N 8.03 0.00 -0.29 -0.34 4.64 -1.46 -2.25 113.55 121.87 1uxs h SER 38 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1uxs h SER 38 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1uxs h SER 38 CO 0.42 0.02 0.00 0.47 -0.87 0.00 0.00 176.83 176.87 1uxs n ASP 39 N -3.17 1.80 -4.82 4.97 9.92 -1.26 -4.81 116.55 119.18 1uxs n ASP 39 Ca -0.01 -1.90 -0.33 0.00 -0.53 0.00 0.00 54.79 52.02 1uxs n ASP 39 Cb 0.21 -0.19 -0.06 0.00 -0.64 0.00 0.00 41.12 40.44 1uxs n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1uxs s ALA 40 N -1.62 3.03 -0.01 2.24 0.00 -0.85 -4.99 121.76 119.56 1uxs s ALA 40 Ca 0.27 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 1uxs s ALA 40 Cb 0.14 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 1uxs s ALA 40 CO 0.19 0.02 1.31 0.00 0.00 0.00 0.00 175.76 177.29 1uxs s ALA 41 N -2.25 3.54 -0.67 0.00 0.00 -1.26 -3.39 121.76 117.73 1uxs s ALA 41 Ca 0.62 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 1uxs s ALA 41 Cb -0.10 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.49 1uxs s ALA 41 CO 0.17 -0.81 0.63 0.45 0.00 0.00 0.00 175.76 176.20 1uxs n SER 42 N 5.14 -5.09 -4.75 0.00 2.88 -1.26 -4.84 113.62 105.70 1uxs n SER 42 Ca 0.12 -0.63 -0.41 0.00 -1.33 0.00 0.00 58.87 56.62 1uxs n SER 42 Cb 0.45 -1.62 -0.03 0.00 -0.75 0.00 0.00 64.21 62.26 1uxs n SER 42 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1uxs s PRO 43 N -3.89 4.39 0.10 -1.46 0.04 -1.22 -5.03 135.00 127.92 1uxs s PRO 43 Ca 0.17 2.11 0.06 0.00 0.04 0.00 0.00 61.00 63.38 1uxs s PRO 43 Cb -0.02 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 1uxs s PRO 43 CO 0.89 -0.22 -0.16 1.03 0.04 0.00 0.00 177.00 178.58 1uxs s ARG 44 N -0.73 0.99 0.22 4.56 1.81 -1.26 -5.06 118.95 119.47 1uxs s ARG 44 Ca 0.54 -1.12 -0.30 0.00 -1.72 0.00 0.00 55.73 53.13 1uxs s ARG 44 Cb -0.38 -1.02 -0.09 0.00 -0.45 0.00 0.00 34.95 33.01 1uxs s ARG 44 CO 0.43 0.22 1.28 -2.00 -0.68 0.00 0.00 175.30 174.56 1uxs s GLU 45 N -2.14 4.41 0.09 3.54 2.12 -1.26 -4.66 118.70 120.79 1uxs s GLU 45 Ca 0.05 2.04 0.10 0.00 0.36 0.00 0.00 54.97 57.52 1uxs s GLU 45 Cb -0.08 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 1uxs s GLU 45 CO 0.03 -0.19 -0.25 -1.21 -0.54 0.00 0.00 175.26 173.10 1uxs s GLU 46 N -0.47 1.66 0.48 4.30 2.02 -0.13 -4.92 118.70 121.64 1uxs s GLU 46 Ca 0.54 -1.20 -0.21 0.00 0.02 0.00 0.00 54.97 54.12 1uxs s GLU 46 Cb -0.36 -1.98 -0.08 0.00 0.10 0.00 0.00 34.13 31.81 1uxs s GLU 46 CO 0.40 0.49 1.08 -1.25 0.02 0.00 0.00 175.26 176.00 1uxs s PRO 47 N -1.68 3.75 0.00 0.39 0.04 -1.26 -1.94 135.00 134.29 1uxs s PRO 47 Ca 0.13 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1uxs s PRO 47 Cb -0.10 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1uxs s PRO 47 CO 0.05 -0.50 0.46 0.54 0.04 0.00 0.00 177.00 177.59 1uxs n ARG 48 N -0.82 0.45 -4.06 4.56 5.12 0.08 -4.88 116.66 117.11 1uxs n ARG 48 Ca 0.09 -0.55 -0.13 0.00 -1.93 0.00 0.00 57.85 55.33 1uxs n ARG 48 Cb 0.51 -0.65 -0.12 0.00 -1.16 0.00 0.00 32.46 31.04 1uxs n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1uxs s ALA 49 N -0.19 0.47 0.40 7.54 0.00 -1.23 -4.69 121.76 124.06 1uxs s ALA 49 Ca 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.39 1uxs s ALA 49 Cb 0.00 0.04 0.81 0.00 0.00 0.00 0.00 23.12 23.97 1uxs s ALA 49 CO 0.00 -0.02 1.97 -1.00 0.00 0.00 0.00 175.76 176.71 1uxs h PRO 50 N 4.76 0.37 0.00 0.00 0.13 -1.95 -2.88 132.00 132.43 1uxs h PRO 50 Ca -0.34 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1uxs h PRO 50 Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1uxs h PRO 50 CO 0.42 0.37 0.00 -2.67 -0.23 0.00 0.00 178.00 175.90 1uxs n TRP 51 N -4.36 0.07 0.65 1.56 4.27 -1.26 -2.28 117.44 116.09 1uxs n TRP 51 Ca 0.01 0.02 0.11 0.00 -3.89 0.00 0.00 57.50 53.75 1uxs n TRP 51 Cb 0.18 -0.54 0.01 0.00 -1.36 0.00 0.00 31.31 29.60 1uxs n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1uxs n ILE 52 N -1.56 0.12 0.25 -1.67 0.13 -1.09 -4.40 119.36 111.14 1uxs n ILE 52 Ca 0.05 -0.19 0.09 0.00 -1.10 0.00 0.00 62.75 61.60 1uxs n ILE 52 Cb 0.27 0.33 0.65 0.00 -0.84 0.00 0.00 39.64 40.05 1uxs n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1uxs h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.54 -2.08 114.58 125.55 1uxs h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uxs h GLU 53 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1uxs h GLU 53 CO 0.00 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.12 1uxs n GLN 54 N -4.13 0.15 -2.06 2.33 10.64 -1.26 -4.77 117.38 118.28 1uxs n GLN 54 Ca -0.03 0.38 -0.39 0.00 -1.83 0.00 0.00 57.00 55.14 1uxs n GLN 54 Cb 0.19 -1.78 -0.00 0.00 -0.86 0.00 0.00 30.24 27.78 1uxs n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1uxs s GLU 55 N -3.24 3.84 0.86 2.61 0.41 -0.78 -4.98 118.70 117.41 1uxs s GLU 55 Ca 0.05 2.10 -0.11 0.00 -0.41 0.00 0.00 54.97 56.60 1uxs s GLU 55 Cb 0.09 -2.65 0.15 0.00 -1.78 0.00 0.00 34.13 29.95 1uxs s GLU 55 CO 0.36 -0.58 1.19 0.20 -0.49 0.00 0.00 175.26 175.94 1uxs s GLY 56 N -0.86 1.75 0.37 -1.39 0.00 -1.26 -4.86 107.32 101.07 1uxs s GLY 56 Ca 0.60 -1.24 0.08 0.00 0.00 0.00 0.00 44.72 44.15 1uxs s GLY 56 CO 0.46 -0.60 1.94 -2.55 0.00 0.00 0.00 173.10 172.36 1uxs h PRO 57 N -1.19 0.65 -0.78 2.90 0.11 -1.97 -1.72 132.00 130.01 1uxs h PRO 57 Ca -0.43 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1uxs h PRO 57 Cb 1.26 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1uxs h PRO 57 CO 0.44 0.43 0.51 1.05 -0.21 0.00 0.00 178.00 180.22 1uxs h GLU 58 N 0.67 1.03 -0.06 1.05 9.09 -1.99 0.14 114.58 124.50 1uxs h GLU 58 Ca 0.34 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.68 1uxs h GLU 58 Cb 0.44 -0.23 -0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1uxs h GLU 58 CO -0.12 0.69 0.03 -0.92 0.05 0.00 0.00 179.01 178.74 1uxs h TYR 59 N 1.06 0.09 -0.19 2.06 3.20 -1.66 -1.67 116.97 119.85 1uxs h TYR 59 Ca 0.28 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.05 1uxs h TYR 59 Cb -0.11 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1uxs h TYR 59 CO 0.00 0.16 -0.32 -1.49 -1.64 0.00 0.00 178.16 174.88 1uxs h TRP 60 N -0.01 0.44 -0.16 -3.82 4.06 -1.34 -0.65 115.95 114.48 1uxs h TRP 60 Ca 0.02 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 1uxs h TRP 60 Cb 0.11 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1uxs h TRP 60 CO -0.04 0.67 0.06 -0.44 -3.56 0.00 0.00 178.44 175.13 1uxs h ASP 61 N 0.34 0.22 -0.28 -3.49 3.32 -0.91 -1.22 116.42 114.40 1uxs h ASP 61 Ca 0.04 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1uxs h ASP 61 Cb 0.73 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1uxs h ASP 61 CO 0.06 0.34 0.03 -0.09 -1.72 0.00 0.00 179.24 177.85 1uxs h ARG 62 N 0.09 0.48 -0.46 3.56 2.43 -1.01 -1.46 114.38 118.02 1uxs h ARG 62 Ca 0.05 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1uxs h ARG 62 Cb 0.19 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1uxs h ARG 62 CO -0.00 0.61 0.23 0.93 -1.51 0.00 0.00 179.97 180.23 1uxs h GLU 63 N 0.28 0.44 -0.60 0.20 4.39 -1.11 -0.95 114.58 117.25 1uxs h GLU 63 Ca 0.08 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1uxs h GLU 63 Cb 0.38 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1uxs h GLU 63 CO 0.01 0.29 0.10 1.15 -1.16 0.00 0.00 179.01 179.40 1uxs h THR 64 N 0.46 1.25 -0.47 1.13 2.02 -1.08 -1.07 112.91 115.14 1uxs h THR 64 Ca 0.20 -0.97 -0.12 0.00 0.77 0.00 0.00 66.41 66.28 1uxs h THR 64 Cb 0.10 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1uxs h THR 64 CO -0.14 0.36 -0.20 -0.61 0.37 0.00 0.00 175.52 175.30 1uxs h GLN 65 N 0.91 0.94 -0.71 6.66 4.15 -0.92 -1.18 115.11 124.95 1uxs h GLN 65 Ca 0.19 -0.39 0.03 0.00 0.77 0.00 0.00 58.65 59.25 1uxs h GLN 65 Cb 0.40 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1uxs h GLN 65 CO 0.01 1.05 0.45 0.82 -1.93 0.00 0.00 178.83 179.23 1uxs h ILE 66 N 0.82 1.11 -0.30 2.39 2.04 -0.83 -0.08 117.51 122.66 1uxs h ILE 66 Ca 0.11 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1uxs h ILE 66 Cb 0.76 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1uxs h ILE 66 CO 0.06 0.16 0.04 0.00 0.00 0.00 0.00 178.15 178.41 1uxs h LYS 68 N 0.33 1.05 -0.66 0.00 1.57 -1.00 -1.23 116.57 116.62 1uxs h LYS 68 Ca 0.09 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1uxs h LYS 68 Cb 0.36 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1uxs h LYS 68 CO 0.01 0.86 0.24 0.00 -0.57 0.00 0.00 179.45 179.99 1uxs h ALA 69 N 1.27 0.86 -0.63 3.86 0.00 -0.79 -2.02 119.26 121.82 1uxs h ALA 69 Ca 0.24 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1uxs h ALA 69 Cb 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1uxs h ALA 69 CO -0.02 0.51 0.17 -0.22 0.00 0.00 0.00 179.25 179.69 1uxs h LYS 70 N 0.95 0.99 -0.73 0.00 1.63 -0.67 0.24 116.57 118.99 1uxs h LYS 70 Ca 0.22 -0.23 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1uxs h LYS 70 Cb 0.25 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 1uxs h LYS 70 CO -0.01 0.89 0.46 0.00 -3.45 0.00 0.00 179.45 177.34 1uxs h ALA 71 N 1.06 0.94 -0.14 5.00 0.00 -1.01 -0.26 119.26 124.85 1uxs h ALA 71 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1uxs h ALA 71 Cb 0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uxs h ALA 71 CO -0.00 0.26 -0.01 1.96 0.00 0.00 0.00 179.25 181.47 1uxs h GLN 72 N 0.91 0.25 -0.87 0.00 4.20 -0.90 -1.90 115.11 116.79 1uxs h GLN 72 Ca 0.29 -0.08 0.08 0.00 0.06 0.00 0.00 58.65 59.00 1uxs h GLN 72 Cb -0.01 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.68 1uxs h GLN 72 CO -0.10 0.49 0.53 1.15 -0.67 0.00 0.00 178.83 180.23 1uxs h THR 73 N -0.03 0.98 -0.93 -0.54 2.02 -0.73 -2.13 112.91 111.56 1uxs h THR 73 Ca 0.04 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1uxs h THR 73 Cb 0.38 -0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 1uxs h THR 73 CO 0.01 0.17 0.61 0.44 0.37 0.00 0.00 175.52 177.12 1uxs h ASP 74 N 0.92 1.08 -0.36 4.18 5.19 -0.90 0.44 116.42 126.97 1uxs h ASP 74 Ca 0.40 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.76 1uxs h ASP 74 Cb 0.28 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1uxs h ASP 74 CO -0.21 0.79 0.17 0.03 -3.12 0.00 0.00 179.24 176.90 1uxs h ARG 75 N 1.27 0.52 -0.55 3.56 3.08 -0.69 0.95 114.38 122.52 1uxs h ARG 75 Ca 0.34 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1uxs h ARG 75 Cb -0.14 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 1uxs h ARG 75 CO -0.07 0.47 0.24 1.49 -1.07 0.00 0.00 179.97 181.03 1uxs h GLU 76 N 0.44 0.81 -0.59 0.04 4.81 -1.06 -2.83 114.58 116.19 1uxs h GLU 76 Ca 0.12 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1uxs h GLU 76 Cb 0.12 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1uxs h GLU 76 CO -0.02 0.68 0.07 -0.44 -0.73 0.00 0.00 179.01 178.58 1uxs h ASP 77 N 0.75 0.93 -0.91 1.04 3.32 -0.62 -0.81 116.42 120.12 1uxs h ASP 77 Ca 0.19 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1uxs h ASP 77 Cb 0.15 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1uxs h ASP 77 CO -0.02 0.94 0.56 -0.07 -1.72 0.00 0.00 179.24 178.94 1uxs h LEU 78 N 0.91 1.08 -0.26 1.55 3.38 -0.75 0.56 115.31 121.78 1uxs h LEU 78 Ca 0.18 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1uxs h LEU 78 Cb 0.43 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1uxs h LEU 78 CO 0.01 0.81 0.07 0.03 0.09 0.00 0.00 178.44 179.46 1uxs h ARG 79 N 1.25 0.41 -0.65 1.13 3.08 -1.17 -2.77 114.38 115.66 1uxs h ARG 79 Ca 0.33 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.30 1uxs h ARG 79 Cb -0.08 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1uxs h ARG 79 CO -0.06 0.49 0.42 1.15 -1.07 0.00 0.00 179.97 180.89 1uxs h THR 80 N 0.26 1.12 -0.01 2.04 2.02 -0.65 -2.77 112.91 114.91 1uxs h THR 80 Ca 0.08 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 1uxs h THR 80 Cb 0.26 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1uxs h THR 80 CO -0.00 0.15 -0.29 -0.07 0.37 0.00 0.00 175.52 175.68 1uxs h LEU 81 N 0.83 0.02 -0.80 2.58 3.38 -0.82 -0.47 115.31 120.03 1uxs h LEU 81 Ca 0.25 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1uxs h LEU 81 Cb -0.04 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1uxs h LEU 81 CO -0.08 0.31 0.51 -0.07 0.09 0.00 0.00 178.44 179.19 1uxs h LEU 82 N 0.02 0.83 -0.06 1.67 3.38 -1.20 -1.97 115.31 117.98 1uxs h LEU 82 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1uxs h LEU 82 Cb 0.52 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1uxs h LEU 82 CO 0.04 0.56 0.01 0.03 0.09 0.00 0.00 178.44 179.17 1uxs h ARG 83 N 0.97 0.10 -0.00 1.13 3.08 -1.18 0.38 114.38 118.85 1uxs h ARG 83 Ca 0.33 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1uxs h ARG 83 Cb 0.04 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1uxs h ARG 83 CO -0.12 0.32 0.00 1.88 -1.07 0.00 0.00 179.97 180.98 1uxs h TYR 84 N -0.15 0.00 -0.42 3.04 -1.99 -0.88 -2.16 116.97 114.41 1uxs h TYR 84 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1uxs h TYR 84 Cb 0.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.00 1uxs h TYR 84 CO 0.01 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.83 1uxs n TYR 85 N -4.27 0.64 -3.80 4.88 4.01 -0.76 -4.82 117.16 113.03 1uxs n TYR 85 Ca -0.03 -0.53 -0.25 0.00 -0.16 0.00 0.00 57.90 56.93 1uxs n TYR 85 Cb 0.09 -0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.09 1uxs n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1uxs n ASN 86 N 0.66 -2.22 -4.91 7.72 3.02 -0.62 -4.98 115.26 113.93 1uxs n ASN 86 Ca 0.15 -0.83 -0.31 0.00 -0.03 0.00 0.00 54.58 53.56 1uxs n ASN 86 Cb 0.52 -3.87 -0.04 0.00 -0.61 0.00 0.00 39.78 35.78 1uxs n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1uxs s GLN 87 N -6.26 3.42 0.87 3.52 -0.21 0.03 -5.04 119.66 115.98 1uxs s GLN 87 Ca 0.22 -0.45 -0.12 0.00 0.02 0.00 0.00 55.36 55.04 1uxs s GLN 87 Cb -0.11 -3.03 0.11 0.00 1.00 0.00 0.00 33.01 30.98 1uxs s GLN 87 CO 0.83 0.61 1.09 -1.54 -2.12 0.00 0.00 175.29 174.16 1uxs s SER 88 N -2.49 3.78 0.00 5.90 1.04 -1.26 -4.73 113.70 115.94 1uxs s SER 88 Ca 0.35 1.42 0.30 0.00 0.48 0.00 0.00 55.95 58.50 1uxs s SER 88 Cb -0.13 -2.12 1.48 0.00 0.10 0.00 0.00 66.02 65.36 1uxs s SER 88 CO 0.27 -2.43 1.99 -0.62 0.98 0.00 0.00 173.24 173.43 1uxs n GLU 89 N -3.74 1.24 0.15 4.02 1.02 -1.26 -4.27 120.64 117.80 1uxs n GLU 89 Ca 0.07 -0.42 0.03 0.00 -0.02 0.00 0.00 57.16 56.82 1uxs n GLU 89 Cb 0.56 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.60 1uxs n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uxs h ALA 90 N 4.10 0.75 -2.19 0.62 0.00 -1.99 -3.45 119.26 117.11 1uxs h ALA 90 Ca 0.00 -0.43 -0.46 0.00 0.00 0.00 0.00 54.91 54.02 1uxs h ALA 90 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1uxs h ALA 90 CO 0.00 0.58 -0.31 0.20 0.00 0.00 0.00 179.25 179.72 1uxs s GLY 91 N -4.43 1.30 0.08 0.00 0.00 -1.26 -4.73 107.32 98.28 1uxs s GLY 91 Ca 0.03 -1.10 -0.26 0.00 0.00 0.00 0.00 44.72 43.39 1uxs s GLY 91 CO 0.73 -1.07 0.82 -0.45 0.00 0.00 0.00 173.10 173.13 1uxs s SER 92 N -4.02 7.32 0.23 1.64 0.15 -1.26 -4.62 113.70 113.13 1uxs s SER 92 Ca 0.38 1.57 0.04 0.00 0.70 0.00 0.00 55.95 58.63 1uxs s SER 92 Cb -0.09 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1uxs s SER 92 CO 0.32 0.02 -0.01 -1.00 1.20 0.00 0.00 173.24 173.77 1uxs s HIS 93 N -0.19 1.57 -0.03 3.44 4.02 -1.26 -4.94 115.29 117.90 1uxs s HIS 93 Ca 0.40 -0.91 0.04 0.00 1.02 0.00 0.00 55.06 55.62 1uxs s HIS 93 Cb -0.22 -0.91 -0.01 0.00 -1.02 0.00 0.00 32.58 30.43 1uxs s HIS 93 CO 0.25 -0.02 -0.16 0.99 1.02 0.00 0.00 174.74 176.83 1uxs s THR 94 N -3.40 1.28 -0.10 1.30 2.01 -1.26 -1.28 115.64 114.19 1uxs s THR 94 Ca 0.28 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1uxs s THR 94 Cb 0.05 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.50 1uxs s THR 94 CO 0.09 0.37 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.07 1uxs s LEU 95 N -0.09 1.36 0.02 4.42 2.96 -0.22 -0.85 118.68 126.27 1uxs s LEU 95 Ca 0.00 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 1uxs s LEU 95 Cb -0.09 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 1uxs s LEU 95 CO 0.01 -0.07 -0.25 -1.10 -1.32 0.00 0.00 176.35 173.61 1uxs s GLN 96 N 1.40 1.87 -0.02 1.98 -0.21 -0.02 -1.22 119.66 123.45 1uxs s GLN 96 Ca -0.00 -1.01 0.02 0.00 0.02 0.00 0.00 55.36 54.39 1uxs s GLN 96 Cb -0.13 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 31.95 1uxs s GLN 96 CO -0.05 0.51 -0.05 1.21 -2.12 0.00 0.00 175.29 174.79 1uxs s ASN 97 N -0.95 0.75 -0.00 5.90 3.84 -0.57 -0.99 114.94 122.91 1uxs s ASN 97 Ca 0.10 -0.11 0.05 0.00 0.21 0.00 0.00 52.86 53.12 1uxs s ASN 97 Cb -0.10 -0.19 -0.01 0.00 -0.55 0.00 0.00 41.25 40.40 1uxs s ASN 97 CO 0.01 0.03 -0.17 0.00 -2.79 0.00 0.00 177.10 174.18 1uxs s MET 98 N 0.22 1.33 0.15 0.43 0.23 -0.45 -0.86 119.30 120.35 1uxs s MET 98 Ca -0.02 -0.64 -0.10 0.00 -1.03 0.00 0.00 55.69 53.90 1uxs s MET 98 Cb -0.06 -1.30 0.00 0.00 -1.53 0.00 0.00 34.83 31.93 1uxs s MET 98 CO -0.00 0.35 0.30 1.52 -2.03 0.00 0.00 175.02 175.16 1uxs s TYR 99 N -0.45 0.24 -5.00 3.16 -0.85 -0.84 -0.93 117.35 112.67 1uxs s TYR 99 Ca 0.06 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 56.00 1uxs s TYR 99 Cb -0.07 0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.30 1uxs s TYR 99 CO -0.00 -0.71 0.00 0.41 -1.52 0.00 0.00 175.55 173.73 1uxs n GLY 100 N -0.20 -0.80 3.19 5.49 0.00 -0.87 -0.92 105.19 111.09 1uxs n GLY 100 Ca -0.10 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 1uxs n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uxs s ASP 102 N -2.16 3.82 0.16 0.00 1.01 -0.05 -0.82 116.67 118.65 1uxs s ASP 102 Ca -0.04 -0.28 0.09 0.00 0.71 0.00 0.00 52.55 53.03 1uxs s ASP 102 Cb -0.00 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.93 1uxs s ASP 102 CO -0.05 0.30 -0.20 0.68 0.21 0.00 0.00 175.17 176.11 1uxs s VAL 103 N -0.44 1.96 0.34 -1.27 -7.23 0.05 -0.57 120.40 113.23 1uxs s VAL 103 Ca 0.05 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 1uxs s VAL 103 Cb -0.12 -1.89 0.07 0.00 0.56 0.00 0.00 36.38 35.01 1uxs s VAL 103 CO 0.02 -0.22 0.47 0.61 -0.31 0.00 0.00 175.10 175.66 1uxs n GLY 104 N 0.40 0.04 0.25 2.32 0.00 -0.80 -1.35 105.19 106.06 1uxs n GLY 104 Ca -0.14 -1.89 0.09 0.00 0.00 0.00 0.00 46.02 44.09 1uxs n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uxs h PRO 105 N 0.00 0.00 0.00 1.61 0.13 -1.90 -0.11 132.00 131.73 1uxs h PRO 105 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1uxs h PRO 105 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1uxs h PRO 105 CO 0.14 0.10 0.00 -0.40 -0.23 0.00 0.00 178.00 177.61 1uxs n ASP 106 N -4.14 0.00 0.00 1.44 5.68 -1.26 -4.68 116.55 113.59 1uxs n ASP 106 Ca -0.03 -0.40 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 1uxs n ASP 106 Cb 0.18 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1uxs n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uxs n GLY 107 N 1.06 0.90 3.81 6.12 0.00 -0.05 -5.04 105.19 111.99 1uxs n GLY 107 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1uxs n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uxs s ARG 108 N -0.11 4.32 0.07 1.61 0.52 -1.26 -4.73 118.95 119.38 1uxs s ARG 108 Ca 0.00 1.08 -0.34 0.00 -0.52 0.00 0.00 55.73 55.96 1uxs s ARG 108 Cb 0.00 -2.55 -0.13 0.00 0.52 0.00 0.00 34.95 32.79 1uxs s ARG 108 CO 0.00 0.18 1.72 -0.11 0.02 0.00 0.00 175.30 177.10 1uxs n LEU 109 N 0.04 3.34 -0.12 2.53 7.94 -1.26 -1.90 117.00 127.58 1uxs n LEU 109 Ca 0.03 1.03 -0.24 0.00 -1.11 0.00 0.00 56.01 55.72 1uxs n LEU 109 Cb 0.52 -1.42 -0.11 0.00 0.53 0.00 0.00 43.42 42.94 1uxs n LEU 109 CO 0.41 -0.15 -0.83 0.18 -1.11 0.00 0.00 177.39 175.90 1uxs n LEU 110 N 4.82 1.89 -3.64 -1.96 4.77 0.26 -4.87 117.00 118.27 1uxs n LEU 110 Ca 0.19 0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 56.42 1uxs n LEU 110 Cb 0.30 -0.92 -0.08 0.00 -2.33 0.00 0.00 43.42 40.40 1uxs n LEU 110 CO 0.67 0.37 0.34 -0.60 -1.33 0.00 0.00 177.39 176.85 1uxs s ARG 111 N -2.41 0.78 0.26 3.23 3.00 -1.18 -5.00 118.95 117.63 1uxs s ARG 111 Ca -0.32 0.81 0.08 0.00 -1.00 0.00 0.00 55.73 55.30 1uxs s ARG 111 Cb 0.09 0.38 -0.04 0.00 0.00 0.00 0.00 34.95 35.38 1uxs s ARG 111 CO 0.56 -0.12 0.09 0.20 0.00 0.00 0.00 175.30 176.03 1uxs s GLY 112 N 0.15 1.55 0.01 8.12 0.00 -1.26 -0.87 107.32 115.01 1uxs s GLY 112 Ca -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1uxs s GLY 112 CO 0.02 -1.60 -0.02 -0.19 0.00 0.00 0.00 173.10 171.31 1uxs s TYR 113 N -2.24 0.20 -0.29 1.90 2.02 -0.19 -4.81 117.35 113.95 1uxs s TYR 113 Ca 0.32 -0.24 -0.06 0.00 -0.37 0.00 0.00 57.07 56.73 1uxs s TYR 113 Cb -0.07 -0.14 0.15 0.00 -0.40 0.00 0.00 41.96 41.50 1uxs s TYR 113 CO 0.22 -0.07 0.59 -1.58 -1.57 0.00 0.00 175.55 173.14 1uxs s HIS 114 N -0.64 -1.36 -0.02 2.71 2.46 -1.26 -2.05 115.29 115.14 1uxs s HIS 114 Ca -0.06 1.94 -0.11 0.00 0.47 0.00 0.00 55.06 57.30 1uxs s HIS 114 Cb -0.05 0.62 0.01 0.00 -0.13 0.00 0.00 32.58 33.04 1uxs s HIS 114 CO -0.00 -0.73 0.23 1.14 -2.47 0.00 0.00 174.74 172.90 1uxs s GLN 115 N 2.84 0.55 0.08 2.88 -2.07 -0.11 -0.79 119.66 123.04 1uxs s GLN 115 Ca 0.06 -0.22 0.08 0.00 -1.82 0.00 0.00 55.36 53.45 1uxs s GLN 115 Cb -0.13 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 31.99 1uxs s GLN 115 CO -0.19 -0.14 -0.20 -0.51 -1.32 0.00 0.00 175.29 172.93 1uxs s ASP 116 N -1.19 2.40 0.01 12.60 1.11 -0.40 -1.34 116.67 129.85 1uxs s ASP 116 Ca -0.13 -0.64 0.01 0.00 0.18 0.00 0.00 52.55 51.98 1uxs s ASP 116 Cb -0.06 -0.14 -0.01 0.00 1.07 0.00 0.00 42.92 43.78 1uxs s ASP 116 CO 0.03 0.06 -0.04 0.00 1.18 0.00 0.00 175.17 176.40 1uxs s ALA 117 N -1.08 0.30 -0.12 5.23 0.00 -0.17 -1.09 121.76 124.83 1uxs s ALA 117 Ca 0.06 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.75 1uxs s ALA 117 Cb -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1uxs s ALA 117 CO 0.03 0.03 -0.16 -0.47 0.00 0.00 0.00 175.76 175.19 1uxs s TYR 118 N -0.40 2.73 -1.59 0.00 5.04 -0.53 -0.84 117.35 121.77 1uxs s TYR 118 Ca -0.02 -0.74 -0.16 0.00 -2.44 0.00 0.00 57.07 53.71 1uxs s TYR 118 Cb -0.03 -1.80 0.12 0.00 0.35 0.00 0.00 41.96 40.60 1uxs s TYR 118 CO -0.00 -0.26 0.82 -0.25 -1.34 0.00 0.00 175.55 174.52 1uxs n ASP 119 N 3.48 -3.92 0.00 4.32 8.00 -0.03 -2.13 116.55 126.27 1uxs n ASP 119 Ca -0.18 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1uxs n ASP 119 Cb 0.53 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 1uxs n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uxs n GLY 120 N -1.46 0.68 3.28 0.44 0.00 -1.26 -5.00 105.19 101.88 1uxs n GLY 120 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1uxs n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uxs s LYS 121 N -0.17 1.17 0.23 1.61 -2.85 -0.90 -5.09 119.74 113.73 1uxs s LYS 121 Ca 0.00 -1.13 -0.30 0.00 -1.00 0.00 0.00 55.97 53.54 1uxs s LYS 121 Cb 0.00 -1.42 -0.15 0.00 -2.06 0.00 0.00 37.83 34.20 1uxs s LYS 121 CO 0.00 0.33 1.05 -0.25 0.10 0.00 0.00 175.35 176.58 1uxs n ASP 122 N 1.19 1.18 0.00 0.03 8.00 -1.26 -1.45 116.55 124.25 1uxs n ASP 122 Ca -0.19 1.16 -0.00 0.00 0.71 0.00 0.00 54.79 56.47 1uxs n ASP 122 Cb 0.53 -1.24 -0.00 0.00 -0.02 0.00 0.00 41.12 40.39 1uxs n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uxs n TYR 123 N 0.76 0.00 -3.80 1.24 9.36 -0.25 -4.69 117.16 119.78 1uxs n TYR 123 Ca 0.12 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.22 1uxs n TYR 123 Cb 0.28 -0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.86 1uxs n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1uxs s ILE 124 N -1.01 -0.01 -0.00 2.97 2.07 -1.13 -1.03 121.20 123.06 1uxs s ILE 124 Ca -0.00 0.04 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1uxs s ILE 124 Cb 0.00 -0.22 -0.01 0.00 0.13 0.00 0.00 42.46 42.36 1uxs s ILE 124 CO 0.00 0.02 -0.11 0.00 -1.91 0.00 0.00 174.94 172.93 1uxs s ALA 125 N 0.31 0.95 0.12 1.50 0.00 -0.46 -1.28 121.76 122.91 1uxs s ALA 125 Ca -0.02 -0.52 -0.31 0.00 0.00 0.00 0.00 51.96 51.12 1uxs s ALA 125 Cb -0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 1uxs s ALA 125 CO -0.01 0.23 1.26 -1.17 0.00 0.00 0.00 175.76 176.06 1uxs s LEU 126 N -0.36 4.40 0.89 0.00 2.96 0.03 -0.54 118.68 126.06 1uxs s LEU 126 Ca 0.04 2.19 -0.12 0.00 -0.22 0.00 0.00 54.13 56.02 1uxs s LEU 126 Cb -0.05 -3.59 0.12 0.00 0.50 0.00 0.00 46.19 43.18 1uxs s LEU 126 CO -0.00 -0.50 1.14 0.20 -1.32 0.00 0.00 176.35 175.87 1uxs s ASN 127 N 0.75 3.74 0.57 3.68 0.01 0.08 -4.57 114.94 119.19 1uxs s ASN 127 Ca 0.58 0.95 0.32 0.00 -0.71 0.00 0.00 52.86 54.01 1uxs s ASN 127 Cb -0.33 -1.52 1.71 0.00 0.41 0.00 0.00 41.25 41.52 1uxs s ASN 127 CO 0.32 -2.41 2.15 -0.08 -1.51 0.00 0.00 177.10 175.58 1uxs h GLU 128 N -1.40 0.00 0.00 -0.60 4.81 -1.88 -0.44 114.58 115.08 1uxs h GLU 128 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1uxs h GLU 128 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1uxs h GLU 128 CO 0.63 0.06 0.00 -0.40 -0.73 0.00 0.00 179.01 178.57 1uxs n ASP 129 N -3.47 0.16 -2.17 1.04 5.68 -1.26 -4.77 116.55 111.75 1uxs n ASP 129 Ca -0.02 0.55 -0.17 0.00 -0.50 0.00 0.00 54.79 54.65 1uxs n ASP 129 Cb 0.19 -0.58 -0.02 0.00 -1.14 0.00 0.00 41.12 39.57 1uxs n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1uxs n LEU 130 N -1.68 -1.46 0.00 -2.12 4.77 -0.17 -4.79 117.00 111.54 1uxs n LEU 130 Ca 0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1uxs n LEU 130 Cb 0.12 -2.51 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 1uxs n LEU 130 CO 0.11 -0.36 -0.05 -1.54 -1.33 0.00 0.00 177.39 174.22 1uxs n SER 131 N -1.64 0.45 -4.24 -1.43 3.41 -1.26 -4.39 113.62 104.53 1uxs n SER 131 Ca -0.19 -0.01 -0.13 0.00 -0.26 0.00 0.00 58.87 58.27 1uxs n SER 131 Cb 0.62 0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.59 1uxs n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uxs s SER 132 N -0.21 1.02 0.14 4.04 1.04 -1.26 -4.90 113.70 113.56 1uxs s SER 132 Ca 0.00 -1.22 0.11 0.00 0.48 0.00 0.00 55.95 55.32 1uxs s SER 132 Cb 0.00 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1uxs s SER 132 CO 0.00 -0.63 -0.27 0.26 0.98 0.00 0.00 173.24 173.58 1uxs s TRP 133 N -3.76 2.31 -0.26 5.02 0.52 -1.26 -0.75 118.94 120.76 1uxs s TRP 133 Ca 0.27 -0.38 -0.01 0.00 0.02 0.00 0.00 56.10 56.00 1uxs s TRP 133 Cb 0.07 -1.24 0.04 0.00 -1.15 0.00 0.00 33.47 31.19 1uxs s TRP 133 CO 0.05 0.36 -0.06 0.99 0.02 0.00 0.00 176.95 178.32 1uxs s THR 134 N -1.14 2.77 -0.13 2.01 2.01 0.30 -4.88 115.64 116.58 1uxs s THR 134 Ca 0.15 -1.21 -0.14 0.00 0.31 0.00 0.00 61.69 60.80 1uxs s THR 134 Cb -0.10 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 1uxs s THR 134 CO 0.07 0.09 0.30 0.00 -0.69 0.00 0.00 174.62 174.39 1uxs s ALA 135 N 1.27 3.63 -0.13 7.40 0.00 -1.26 -1.35 121.76 131.31 1uxs s ALA 135 Ca -0.03 -0.43 0.21 0.00 0.00 0.00 0.00 51.96 51.72 1uxs s ALA 135 Cb -0.18 -2.36 0.45 0.00 0.00 0.00 0.00 23.12 21.03 1uxs s ALA 135 CO -0.04 0.19 1.63 0.00 0.00 0.00 0.00 175.76 177.54 1uxs h ALA 136 N 6.24 0.87 -2.76 0.00 0.00 -1.36 -3.47 119.26 118.79 1uxs h ALA 136 Ca -0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1uxs h ALA 136 Cb 1.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1uxs h ALA 136 CO 0.72 0.33 0.22 -0.40 0.00 0.00 0.00 179.25 180.12 1uxs n ASP 137 N -3.23 -1.78 0.23 0.00 5.68 -1.26 -5.04 116.55 111.15 1uxs n ASP 137 Ca 0.02 -2.23 0.10 0.00 -0.50 0.00 0.00 54.79 52.18 1uxs n ASP 137 Cb 0.57 2.97 0.53 0.00 -1.14 0.00 0.00 41.12 44.05 1uxs n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1uxs h THR 138 N 1.77 0.62 0.01 2.12 1.35 -1.99 -1.63 112.91 115.17 1uxs h THR 138 Ca -0.26 -0.99 -0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1uxs h THR 138 Cb 0.96 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1uxs h THR 138 CO 0.33 0.21 -0.01 0.00 -0.25 0.00 0.00 175.52 175.81 1uxs h ALA 139 N 1.78 -0.02 0.00 6.62 0.00 -1.97 -3.14 119.26 122.54 1uxs h ALA 139 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1uxs h ALA 139 Cb 0.63 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1uxs h ALA 139 CO 0.03 -0.32 -0.08 0.00 0.00 0.00 0.00 179.25 178.87 1uxs h ALA 140 N 0.59 1.36 -0.32 0.00 0.00 -1.78 -1.12 119.26 117.99 1uxs h ALA 140 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1uxs h ALA 140 Cb 0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1uxs h ALA 140 CO 0.00 0.11 0.08 1.96 0.00 0.00 0.00 179.25 181.40 1uxs h GLN 141 N 0.00 0.46 -0.27 0.00 4.20 -1.26 0.12 115.11 118.35 1uxs h GLN 141 Ca -0.00 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1uxs h GLN 141 Cb 0.24 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1uxs h GLN 141 CO 0.01 0.43 0.15 0.82 -0.67 0.00 0.00 178.83 179.57 1uxs h ILE 142 N 0.46 1.12 -0.70 2.54 1.08 -1.18 -1.40 117.51 119.44 1uxs h ILE 142 Ca 0.11 -0.31 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1uxs h ILE 142 Cb 0.18 0.83 -0.04 0.00 -3.07 0.00 0.00 36.82 34.72 1uxs h ILE 142 CO -0.00 0.12 0.46 0.74 -0.69 0.00 0.00 178.15 178.77 1uxs h THR 143 N 0.33 1.17 -0.59 -0.27 2.02 -1.39 -2.14 112.91 112.04 1uxs h THR 143 Ca 0.10 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1uxs h THR 143 Cb 0.05 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1uxs h THR 143 CO -0.02 0.17 0.39 -0.61 0.37 0.00 0.00 175.52 175.83 1uxs h GLN 144 N 0.93 0.77 -0.75 6.66 4.15 -0.55 0.13 115.11 126.45 1uxs h GLN 144 Ca 0.26 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.59 1uxs h GLN 144 Cb -0.09 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.39 1uxs h GLN 144 CO -0.06 0.51 0.32 0.00 -1.93 0.00 0.00 178.83 177.67 1uxs h ARG 145 N 0.80 1.11 -0.60 1.69 3.08 -1.07 0.11 114.38 119.50 1uxs h ARG 145 Ca 0.22 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1uxs h ARG 145 Cb -0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 1uxs h ARG 145 CO -0.05 0.90 0.27 -0.22 -1.07 0.00 0.00 179.97 179.79 1uxs h LYS 146 N 1.08 0.88 0.00 0.04 3.64 -0.65 -1.55 116.57 120.01 1uxs h LYS 146 Ca 0.25 -0.14 -0.19 0.00 -1.27 0.00 0.00 60.65 59.30 1uxs h LYS 146 Cb 0.19 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1uxs h LYS 146 CO -0.02 0.73 -0.88 -1.49 -2.27 0.00 0.00 179.45 175.51 1uxs h TRP 147 N 0.83 0.02 -0.24 1.91 4.06 -0.41 -2.35 115.95 119.77 1uxs h TRP 147 Ca 0.20 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.12 1uxs h TRP 147 Cb 0.16 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 1uxs h TRP 147 CO 0.00 0.89 0.06 0.93 -3.56 0.00 0.00 178.44 176.76 1uxs h GLU 148 N 0.01 0.39 -0.63 0.49 5.08 -0.71 -1.44 114.58 117.76 1uxs h GLU 148 Ca -0.01 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1uxs h GLU 148 Cb 1.56 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 1uxs h GLU 148 CO 0.12 0.49 0.42 0.00 -1.00 0.00 0.00 179.01 179.04 1uxs h ALA 149 N 0.88 1.62 -0.06 3.43 0.00 -1.15 -1.96 119.26 122.03 1uxs h ALA 149 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1uxs h ALA 149 Cb 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uxs h ALA 149 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1uxs n ALA 150 N -2.45 2.55 -3.85 0.00 0.00 -0.90 -4.96 120.51 110.90 1uxs n ALA 150 Ca 0.07 -0.49 -0.28 0.00 0.00 0.00 0.00 53.44 52.74 1uxs n ALA 150 Cb 0.10 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.46 1uxs n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uxs n ARG 151 N 0.30 -5.55 -0.27 0.00 1.74 -0.69 -4.89 116.66 107.29 1uxs n ARG 151 Ca 0.18 0.62 -0.03 0.00 -0.77 0.00 0.00 57.85 57.85 1uxs n ARG 151 Cb 0.37 -5.45 0.08 0.00 -1.02 0.00 0.00 32.46 26.44 1uxs n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1uxs h VAL 152 N -2.08 1.13 -0.85 1.55 2.07 -1.57 -2.94 116.25 113.56 1uxs h VAL 152 Ca -0.59 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 66.64 1uxs h VAL 152 Cb 1.37 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1uxs h VAL 152 CO 0.64 0.17 0.56 0.00 0.02 0.00 0.00 177.57 178.97 1uxs h ALA 153 N 1.31 1.47 -0.61 1.67 0.00 -1.90 -1.26 119.26 119.94 1uxs h ALA 153 Ca 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1uxs h ALA 153 Cb -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1uxs h ALA 153 CO -0.10 0.45 0.24 0.93 0.00 0.00 0.00 179.25 180.77 1uxs h GLU 154 N 1.06 0.89 -0.48 0.00 3.07 -1.76 0.49 114.58 117.85 1uxs h GLU 154 Ca 0.34 -0.14 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 1uxs h GLU 154 Cb 0.02 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 1uxs h GLU 154 CO -0.10 0.73 -0.01 1.96 -1.40 0.00 0.00 179.01 180.19 1uxs h GLN 155 N 0.87 0.86 -0.38 2.33 1.08 -1.25 -2.35 115.11 116.27 1uxs h GLN 155 Ca 0.21 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 1uxs h GLN 155 Cb 0.18 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1uxs h GLN 155 CO -0.02 0.90 0.04 -0.07 -0.95 0.00 0.00 178.83 178.74 1uxs h LEU 156 N 0.71 0.62 -0.69 1.46 3.38 -0.83 -2.16 115.31 117.80 1uxs h LEU 156 Ca 0.14 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1uxs h LEU 156 Cb 0.52 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1uxs h LEU 156 CO 0.03 0.74 0.35 -0.09 0.09 0.00 0.00 178.44 179.56 1uxs h ARG 157 N 0.48 0.60 -0.59 1.13 2.43 -0.87 0.15 114.38 117.71 1uxs h ARG 157 Ca 0.11 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1uxs h ARG 157 Cb 0.40 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1uxs h ARG 157 CO 0.01 0.40 0.08 0.00 -1.51 0.00 0.00 179.97 178.95 1uxs h ALA 158 N 1.40 0.79 -0.09 2.80 0.00 -1.17 -0.76 119.26 122.23 1uxs h ALA 158 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1uxs h ALA 158 Cb 0.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1uxs h ALA 158 CO -0.24 0.56 0.00 -0.92 0.00 0.00 0.00 179.25 178.66 1uxs h TYR 159 N 0.89 0.18 -0.42 0.00 3.20 -0.90 -2.33 116.97 117.59 1uxs h TYR 159 Ca 0.18 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 1uxs h TYR 159 Cb 0.45 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1uxs h TYR 159 CO 0.03 0.41 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.70 1uxs h LEU 160 N -0.10 0.81 -0.41 2.82 3.38 -0.47 -0.41 115.31 120.93 1uxs h LEU 160 Ca 0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1uxs h LEU 160 Cb 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1uxs h LEU 160 CO 0.00 0.99 -0.14 -0.33 0.09 0.00 0.00 178.44 179.05 1uxs h GLU 161 N 0.71 0.00 0.00 1.13 5.08 -1.22 -3.33 114.58 116.96 1uxs h GLU 161 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1uxs h GLU 161 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1uxs h GLU 161 CO 0.05 0.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.61 1uxs n GLY 162 N 0.81 0.25 0.35 -3.84 0.00 -0.88 -4.66 105.19 97.22 1uxs n GLY 162 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1uxs n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uxs h GLU 163 N 0.00 0.91 -0.44 1.61 5.08 -1.63 -0.90 114.58 119.22 1uxs h GLU 163 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1uxs h GLU 163 Cb 0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1uxs h GLU 163 CO 0.00 0.60 0.25 0.00 -1.00 0.00 0.00 179.01 178.87 1uxs h VAL 165 N 0.58 1.30 -0.30 0.00 2.07 -1.49 -1.85 116.25 116.56 1uxs h VAL 165 Ca 0.16 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 1uxs h VAL 165 Cb 0.03 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1uxs h VAL 165 CO -0.03 0.47 -0.03 -0.33 0.02 0.00 0.00 177.57 177.67 1uxs h GLU 166 N 0.43 0.55 -0.36 1.57 5.08 -0.90 -1.58 114.58 119.38 1uxs h GLU 166 Ca 0.04 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.06 1uxs h GLU 166 Cb 0.86 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1uxs h GLU 166 CO 0.07 0.72 -0.36 -1.49 -1.00 0.00 0.00 179.01 176.95 1uxs h TRP 167 N 0.34 1.00 -0.69 4.33 4.06 -0.83 -1.89 115.95 122.26 1uxs h TRP 167 Ca 0.08 -0.29 0.05 0.00 2.06 0.00 0.00 58.89 60.79 1uxs h TRP 167 Cb 0.49 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.38 1uxs h TRP 167 CO 0.04 1.07 0.41 1.25 -3.56 0.00 0.00 178.44 177.66 1uxs h LEU 168 N 0.69 0.65 -0.69 -4.49 5.85 -1.25 -0.47 115.31 115.61 1uxs h LEU 168 Ca 0.06 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1uxs h LEU 168 Cb 0.93 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1uxs h LEU 168 CO 0.09 0.43 0.45 0.03 -0.34 0.00 0.00 178.44 179.10 1uxs h ARG 169 N 0.78 0.89 -0.12 1.25 3.08 -1.12 -0.25 114.38 118.89 1uxs h ARG 169 Ca 0.29 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1uxs h ARG 169 Cb 0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1uxs h ARG 169 CO -0.14 0.59 0.06 -0.09 -1.07 0.00 0.00 179.97 179.31 1uxs h ARG 170 N 0.92 0.13 -0.88 0.04 2.43 -0.86 -2.17 114.38 113.98 1uxs h ARG 170 Ca 0.26 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1uxs h ARG 170 Cb -0.09 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1uxs h ARG 170 CO -0.06 0.08 0.45 1.88 -1.51 0.00 0.00 179.97 180.81 1uxs h TYR 171 N 0.13 1.24 -0.45 2.20 0.05 -0.65 -0.55 116.97 118.93 1uxs h TYR 171 Ca 0.05 -0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1uxs h TYR 171 Cb 0.01 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.34 1uxs h TYR 171 CO -0.09 0.87 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.79 1uxs h LEU 172 N 1.24 0.74 0.11 3.88 3.38 -0.87 0.26 115.31 124.05 1uxs h LEU 172 Ca 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1uxs h LEU 172 Cb 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1uxs h LEU 172 CO -0.04 0.83 -0.05 -0.08 0.09 0.00 0.00 178.44 179.18 1uxs h GLU 173 N 0.71 -0.14 -0.40 1.13 4.57 -1.03 -1.74 114.58 117.68 1uxs h GLU 173 Ca 0.13 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1uxs h GLU 173 Cb 0.48 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1uxs h GLU 173 CO 0.02 0.27 0.14 -0.91 -1.18 0.00 0.00 179.01 177.35 1uxs h ASN 174 N -0.59 0.52 -0.70 1.04 2.35 -0.91 -2.35 115.58 114.94 1uxs h ASN 174 Ca -0.01 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.52 1uxs h ASN 174 Cb 0.47 -0.13 -0.09 0.00 0.05 0.00 0.00 38.32 38.62 1uxs h ASN 174 CO 0.02 0.49 0.20 0.61 -1.65 0.00 0.00 177.43 177.10 1uxs n GLY 175 N -1.14 3.43 0.29 2.83 0.00 0.90 -4.72 105.19 106.78 1uxs n GLY 175 Ca 0.03 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 45.20 1uxs n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1uxs h LYS 176 N 3.02 0.00 -0.26 1.61 2.10 -0.74 0.10 116.57 122.41 1uxs h LYS 176 Ca 0.20 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1uxs h LYS 176 Cb 2.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.56 1uxs h LYS 176 CO 0.68 0.00 0.16 1.49 -2.00 0.00 0.00 179.45 179.77 1uxs h GLU 177 N 0.00 0.34 0.00 0.07 4.81 -1.85 -2.89 114.58 115.06 1uxs h GLU 177 Ca 0.04 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 1uxs h GLU 177 Cb 0.18 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1uxs h GLU 177 CO -0.00 0.24 -1.58 0.25 -0.73 0.00 0.00 179.01 177.19 1uxs n THR 178 N -4.49 0.57 0.13 0.32 -2.24 -0.68 -4.42 114.28 103.48 1uxs n THR 178 Ca 0.01 -0.16 0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1uxs n THR 178 Cb 0.08 -1.53 0.39 0.00 -2.10 0.00 0.00 70.33 67.18 1uxs n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1uxs h LEU 179 N -0.32 0.19 -3.71 3.22 3.38 -0.97 -2.58 115.31 114.52 1uxs h LEU 179 Ca -0.26 -0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.36 1uxs h LEU 179 Cb 1.25 -0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.76 1uxs h LEU 179 CO -0.14 0.37 0.32 0.00 0.09 0.00 0.00 178.44 179.08 1uxs n GLN 180 N -4.26 2.64 -4.28 1.13 6.02 -1.09 -4.88 117.38 112.66 1uxs n GLN 180 Ca -0.01 -3.07 -0.31 0.00 -0.01 0.00 0.00 57.00 53.61 1uxs n GLN 180 Cb 0.28 -2.08 -0.16 0.00 1.02 0.00 0.00 30.24 29.30 1uxs n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1uxs s ARG 181 N -3.17 2.51 -0.19 -1.09 3.52 -0.97 -4.98 118.95 114.59 1uxs s ARG 181 Ca 0.52 -0.65 -0.14 0.00 -0.13 0.00 0.00 55.73 55.33 1uxs s ARG 181 Cb 0.44 -2.17 -0.04 0.00 -1.56 0.00 0.00 34.95 31.61 1uxs s ARG 181 CO 0.09 -0.14 0.31 0.00 -0.81 0.00 0.00 175.30 174.75 1uxs s ALA 182 N 1.19 3.58 -0.27 6.12 0.00 -1.26 -4.76 121.76 126.36 1uxs s ALA 182 Ca -0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 1uxs s ALA 182 Cb -0.14 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1uxs s ALA 182 CO -0.07 -0.11 0.27 -0.51 0.00 0.00 0.00 175.76 175.34 1uxs s ASP 183 N 0.80 6.14 0.67 0.00 1.01 0.58 -4.53 116.67 121.32 1uxs s ASP 183 Ca 0.16 0.14 -0.15 0.00 0.71 0.00 0.00 52.55 53.41 1uxs s ASP 183 Cb -0.14 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.64 1uxs s ASP 183 CO 0.05 -0.09 1.11 -2.16 0.21 0.00 0.00 175.17 174.30 1uxs s PRO 184 N 1.78 2.74 0.30 8.23 0.04 -1.26 -1.50 135.00 145.34 1uxs s PRO 184 Ca 0.11 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1uxs s PRO 184 Cb -0.16 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 1uxs s PRO 184 CO 0.10 -1.30 1.31 -1.25 0.04 0.00 0.00 177.00 175.90 1uxs s PRO 185 N -4.11 4.36 -0.05 0.56 0.04 -1.26 -4.31 135.00 130.23 1uxs s PRO 185 Ca 0.67 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 63.60 1uxs s PRO 185 Cb -0.21 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1uxs s PRO 185 CO 0.42 -0.20 1.01 0.15 0.04 0.00 0.00 177.00 178.42 1uxs s LYS 186 N -1.41 4.48 0.07 4.56 1.02 0.36 -4.85 119.74 123.97 1uxs s LYS 186 Ca 0.51 1.43 0.08 0.00 0.02 0.00 0.00 55.97 58.00 1uxs s LYS 186 Cb -0.39 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.39 1uxs s LYS 186 CO 0.49 -0.20 -0.21 0.95 -0.92 0.00 0.00 175.35 175.47 1uxs s THR 187 N 1.54 1.69 0.18 2.17 -4.23 -1.26 -1.08 115.64 114.65 1uxs s THR 187 Ca 0.51 -1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 59.45 1uxs s THR 187 Cb -0.20 -1.50 0.06 0.00 1.34 0.00 0.00 72.50 72.20 1uxs s THR 187 CO 0.23 0.10 0.66 -1.38 -0.54 0.00 0.00 174.62 173.69 1uxs s HIS 188 N -0.95 -0.42 -0.10 3.99 -3.43 -1.13 -5.00 115.29 108.24 1uxs s HIS 188 Ca 0.07 0.15 0.04 0.00 -0.80 0.00 0.00 55.06 54.52 1uxs s HIS 188 Cb -0.09 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1uxs s HIS 188 CO 0.03 -0.93 -0.24 0.08 -2.00 0.00 0.00 174.74 171.68 1uxs s VAL 189 N -3.73 2.06 0.30 -5.38 1.01 -1.26 -0.97 120.40 112.43 1uxs s VAL 189 Ca 0.04 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1uxs s VAL 189 Cb -0.02 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1uxs s VAL 189 CO -0.07 0.56 0.01 0.42 0.00 0.00 0.00 175.10 176.02 1uxs s THR 190 N 0.39 3.14 -0.10 3.92 -4.23 -0.41 -4.69 115.64 113.66 1uxs s THR 190 Ca -0.18 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1uxs s THR 190 Cb -0.18 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 70.86 1uxs s THR 190 CO 0.08 -0.31 -0.11 -2.28 -0.54 0.00 0.00 174.62 171.47 1uxs s HIS 191 N -2.40 1.58 -0.40 3.99 2.46 -1.26 -1.27 115.29 118.00 1uxs s HIS 191 Ca 0.33 -0.73 0.01 0.00 0.47 0.00 0.00 55.06 55.14 1uxs s HIS 191 Cb -0.04 -1.23 0.13 0.00 -0.13 0.00 0.00 32.58 31.31 1uxs s HIS 191 CO 0.20 -0.44 0.20 -1.01 -2.47 0.00 0.00 174.74 171.22 1uxs s HIS 192 N 1.25 1.79 0.14 3.88 3.76 0.19 -4.98 115.29 121.33 1uxs s HIS 192 Ca -0.03 -2.18 -0.34 0.00 -0.15 0.00 0.00 55.06 52.35 1uxs s HIS 192 Cb -0.14 -1.75 -0.16 0.00 1.11 0.00 0.00 32.58 31.64 1uxs s HIS 192 CO -0.04 -0.81 1.22 -2.30 -0.85 0.00 0.00 174.74 171.96 1uxs n PRO 193 N 3.90 1.10 -0.10 8.40 -0.02 -1.26 -1.08 135.00 145.95 1uxs n PRO 193 Ca 0.07 0.40 -0.19 0.00 -2.02 0.00 0.00 63.50 61.75 1uxs n PRO 193 Cb 0.36 -1.94 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 1uxs n PRO 193 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1uxs n ILE 194 N 1.85 1.56 -3.54 4.25 5.41 -0.60 -4.86 119.36 123.43 1uxs n ILE 194 Ca 0.16 -0.60 -0.04 0.00 1.00 0.00 0.00 62.75 63.27 1uxs n ILE 194 Cb 0.22 -1.47 0.02 0.00 -0.71 0.00 0.00 39.64 37.69 1uxs n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1uxs n SER 195 N -3.30 -1.30 0.00 4.38 3.41 -0.99 -4.99 113.62 110.83 1uxs n SER 195 Ca -0.42 -1.85 0.10 0.00 -0.26 0.00 0.00 58.87 56.43 1uxs n SER 195 Cb 1.01 2.16 0.50 0.00 -0.26 0.00 0.00 64.21 67.62 1uxs n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1uxs n ASP 196 N -1.24 0.00 -0.03 4.04 8.00 -1.26 -3.55 116.55 122.51 1uxs n ASP 196 Ca -0.04 -0.01 0.04 0.00 0.71 0.00 0.00 54.79 55.49 1uxs n ASP 196 Cb 0.36 -0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 1uxs n ASP 196 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1uxs n HIS 197 N -1.28 0.00 -3.61 1.24 8.25 -1.26 -4.78 115.22 113.79 1uxs n HIS 197 Ca 0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.45 1uxs n HIS 197 Cb 0.16 -0.50 -0.03 0.00 1.12 0.00 0.00 29.99 30.74 1uxs n HIS 197 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1uxs s GLU 198 N -3.00 1.33 0.08 -0.41 -1.05 -1.23 -1.16 118.70 113.26 1uxs s GLU 198 Ca -0.07 -0.69 -0.08 0.00 -0.15 0.00 0.00 54.97 53.98 1uxs s GLU 198 Cb 0.09 0.55 -0.00 0.00 -0.44 0.00 0.00 34.13 34.33 1uxs s GLU 198 CO 0.71 -0.57 0.18 0.00 0.95 0.00 0.00 175.26 176.52 1uxs s ALA 199 N -3.82 -0.20 -0.05 -0.84 0.00 -0.73 -1.56 121.76 114.56 1uxs s ALA 199 Ca 0.05 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.19 1uxs s ALA 199 Cb -0.01 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 1uxs s ALA 199 CO -0.07 -0.48 0.57 0.99 0.00 0.00 0.00 175.76 176.76 1uxs s THR 200 N -3.71 5.02 -0.21 0.00 2.01 -0.24 -0.41 115.64 118.10 1uxs s THR 200 Ca 0.04 1.18 -0.09 0.00 0.31 0.00 0.00 61.69 63.13 1uxs s THR 200 Cb 0.04 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1uxs s THR 200 CO -0.10 0.37 0.10 -0.76 -0.69 0.00 0.00 174.62 173.54 1uxs s LEU 201 N 0.19 3.95 -0.18 4.42 1.43 -0.32 -0.63 118.68 127.54 1uxs s LEU 201 Ca 0.30 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1uxs s LEU 201 Cb -0.17 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.04 1uxs s LEU 201 CO 0.15 0.13 -0.19 -0.60 0.23 0.00 0.00 176.35 176.07 1uxs s ARG 202 N 0.66 3.02 -0.25 1.70 3.52 -0.40 -1.48 118.95 125.73 1uxs s ARG 202 Ca 0.06 -0.82 -0.12 0.00 -0.13 0.00 0.00 55.73 54.72 1uxs s ARG 202 Cb -0.13 -2.60 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 1uxs s ARG 202 CO 0.01 -0.20 0.24 0.00 -0.81 0.00 0.00 175.30 174.54 1uxs s TRP 204 N 1.40 3.20 -0.12 0.00 0.52 -0.14 -1.60 118.94 122.20 1uxs s TRP 204 Ca 0.11 0.21 -0.00 0.00 0.02 0.00 0.00 56.10 56.44 1uxs s TRP 204 Cb -0.15 -1.81 0.03 0.00 -1.15 0.00 0.00 33.47 30.39 1uxs s TRP 204 CO 0.07 0.48 -0.07 0.00 0.02 0.00 0.00 176.95 177.45 1uxs s ALA 205 N -0.85 1.35 0.04 0.98 0.00 -0.22 -2.85 121.76 120.21 1uxs s ALA 205 Ca 0.13 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1uxs s ALA 205 Cb -0.11 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1uxs s ALA 205 CO 0.02 -0.46 -0.12 -0.51 0.00 0.00 0.00 175.76 174.70 1uxs s LEU 206 N 1.70 2.20 -0.29 0.00 1.43 -0.24 -1.30 118.68 122.19 1uxs s LEU 206 Ca 0.05 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1uxs s LEU 206 Cb -0.13 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.63 1uxs s LEU 206 CO -0.08 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1uxs n GLY 207 N 1.74 0.55 3.93 -3.19 0.00 -0.85 -0.49 105.19 106.87 1uxs n GLY 207 Ca -0.19 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1uxs n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uxs s PHE 208 N -2.11 3.50 -0.17 1.61 -0.71 -1.09 -4.68 117.98 114.33 1uxs s PHE 208 Ca 0.00 0.22 -0.12 0.00 -1.04 0.00 0.00 56.93 55.99 1uxs s PHE 208 Cb 0.00 -1.74 0.05 0.00 -1.21 0.00 0.00 43.02 40.12 1uxs s PHE 208 CO 0.00 0.53 0.43 -0.47 -1.34 0.00 0.00 175.22 174.37 1uxs s TYR 209 N -1.65 -0.55 0.82 3.49 5.04 -0.56 -0.53 117.35 123.41 1uxs s TYR 209 Ca 0.35 1.25 -0.14 0.00 -2.44 0.00 0.00 57.07 56.10 1uxs s TYR 209 Cb -0.12 0.23 0.20 0.00 0.35 0.00 0.00 41.96 42.61 1uxs s TYR 209 CO 0.28 -0.29 0.90 -0.35 -1.34 0.00 0.00 175.55 174.75 1uxs n PRO 210 N 3.54 -1.81 0.21 4.97 -0.04 -1.26 -0.31 135.00 140.30 1uxs n PRO 210 Ca -0.18 -1.41 0.07 0.00 -0.04 0.00 0.00 63.50 61.94 1uxs n PRO 210 Cb 0.56 -1.12 0.44 0.00 -0.04 0.00 0.00 33.50 33.34 1uxs n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uxs h ALA 211 N -2.21 1.14 -2.57 0.55 0.00 -1.95 -3.45 119.26 110.76 1uxs h ALA 211 Ca -0.31 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 53.79 1uxs h ALA 211 Cb 0.91 -0.05 0.06 0.00 0.00 0.00 0.00 17.79 18.71 1uxs h ALA 211 CO 0.21 0.38 1.02 -1.91 0.00 0.00 0.00 179.25 178.94 1uxs n GLU 212 N -3.65 2.72 -3.49 0.00 4.07 -1.26 -4.97 120.64 114.06 1uxs n GLU 212 Ca -0.01 0.98 -0.15 0.00 -0.06 0.00 0.00 57.16 57.93 1uxs n GLU 212 Cb 0.42 -2.83 -0.04 0.00 -0.06 0.00 0.00 31.44 28.92 1uxs n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1uxs s ILE 213 N 1.51 0.00 -0.13 6.31 2.07 -1.26 -4.71 121.20 124.99 1uxs s ILE 213 Ca 0.77 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.03 1uxs s ILE 213 Cb -0.52 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.09 1uxs s ILE 213 CO 0.34 0.00 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.31 1uxs s THR 214 N -2.11 1.68 -0.10 4.00 2.01 -0.85 -5.02 115.64 115.25 1uxs s THR 214 Ca -0.05 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1uxs s THR 214 Cb -0.00 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1uxs s THR 214 CO 0.01 0.48 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.48 1uxs s LEU 215 N 1.05 1.82 0.04 4.42 1.43 -1.26 -1.35 118.68 124.83 1uxs s LEU 215 Ca -0.04 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1uxs s LEU 215 Cb -0.15 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1uxs s LEU 215 CO -0.04 0.05 -0.04 0.42 0.23 0.00 0.00 176.35 176.97 1uxs s THR 216 N 0.80 0.29 -0.07 5.49 -4.23 -0.71 -4.97 115.64 112.23 1uxs s THR 216 Ca -0.10 -1.29 -0.02 0.00 -1.18 0.00 0.00 61.69 59.10 1uxs s THR 216 Cb -0.16 -0.81 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 1uxs s THR 216 CO 0.01 -0.64 0.01 0.26 -0.54 0.00 0.00 174.62 173.72 1uxs s TRP 217 N -2.31 3.18 0.12 3.99 0.52 -1.26 -0.75 118.94 122.43 1uxs s TRP 217 Ca -0.06 0.20 0.10 0.00 0.02 0.00 0.00 56.10 56.36 1uxs s TRP 217 Cb -0.04 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1uxs s TRP 217 CO -0.03 0.49 -0.24 -0.65 0.02 0.00 0.00 176.95 176.53 1uxs s GLN 218 N -1.01 1.55 -0.18 4.98 -0.21 0.27 -2.03 119.66 123.04 1uxs s GLN 218 Ca 0.15 -1.28 0.01 0.00 0.02 0.00 0.00 55.36 54.25 1uxs s GLN 218 Cb -0.11 -1.98 0.02 0.00 1.00 0.00 0.00 33.01 31.94 1uxs s GLN 218 CO 0.04 0.46 -0.20 0.50 -2.12 0.00 0.00 175.29 173.97 1uxs s ARG 219 N -2.05 2.99 -1.65 2.91 3.52 -0.12 -1.08 118.95 123.47 1uxs s ARG 219 Ca 0.15 -0.83 -0.17 0.00 -0.13 0.00 0.00 55.73 54.76 1uxs s ARG 219 Cb -0.10 -2.56 0.14 0.00 -1.56 0.00 0.00 34.95 30.86 1uxs s ARG 219 CO 0.07 -0.20 0.80 -0.25 -0.81 0.00 0.00 175.30 174.92 1uxs n ASP 220 N 4.58 -3.41 0.00 -2.12 8.00 -0.34 -1.51 116.55 121.76 1uxs n ASP 220 Ca -0.21 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1uxs n ASP 220 Cb 0.50 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.61 1uxs n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uxs n GLY 221 N -1.49 0.69 3.65 0.44 0.00 -1.26 -5.03 105.19 102.19 1uxs n GLY 221 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1uxs n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uxs s GLU 222 N -0.19 3.64 0.81 1.61 2.56 -0.57 -5.03 118.70 121.53 1uxs s GLU 222 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 54.97 54.48 1uxs s GLU 222 Cb 0.00 -3.07 0.08 0.00 2.00 0.00 0.00 34.13 33.15 1uxs s GLU 222 CO 0.00 0.43 1.19 0.16 -0.56 0.00 0.00 175.26 176.47 1uxs s ASP 223 N -0.09 3.65 -0.27 -1.70 -4.77 -1.26 -0.94 116.67 111.29 1uxs s ASP 223 Ca 0.06 2.29 0.14 0.00 -3.30 0.00 0.00 52.55 51.74 1uxs s ASP 223 Cb -0.12 -2.58 0.48 0.00 -1.09 0.00 0.00 42.92 39.61 1uxs s ASP 223 CO 0.01 -2.63 1.16 0.00 0.70 0.00 0.00 175.17 174.41 1uxs n GLN 224 N -3.38 2.66 -0.15 2.11 1.13 -0.86 -4.78 117.38 114.11 1uxs n GLN 224 Ca 0.13 -3.81 -0.04 0.00 -1.94 0.00 0.00 57.00 51.34 1uxs n GLN 224 Cb 0.51 -1.92 0.05 0.00 0.11 0.00 0.00 30.24 29.00 1uxs n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1uxs h THR 225 N 3.70 0.86 -0.22 5.09 2.02 -1.93 -1.03 112.91 121.40 1uxs h THR 225 Ca 0.13 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1uxs h THR 225 Cb 1.42 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1uxs h THR 225 CO 0.47 0.07 0.14 -0.61 0.37 0.00 0.00 175.52 175.96 1uxs h GLN 226 N 0.36 0.29 -0.50 6.66 5.75 -1.99 -2.69 115.11 122.98 1uxs h GLN 226 Ca 0.23 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1uxs h GLN 226 Cb 0.22 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1uxs h GLN 226 CO -0.22 0.19 0.00 -0.25 -2.65 0.00 0.00 178.83 175.90 1uxs n ASP 227 N -4.50 3.46 -4.73 -0.69 8.00 -0.48 -4.94 116.55 112.67 1uxs n ASP 227 Ca 0.00 -1.97 -0.35 0.00 0.71 0.00 0.00 54.79 53.18 1uxs n ASP 227 Cb 0.07 -0.33 -0.08 0.00 -0.02 0.00 0.00 41.12 40.77 1uxs n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1uxs s THR 228 N -1.13 5.38 -0.35 -3.53 2.01 -0.67 -4.48 115.64 112.86 1uxs s THR 228 Ca 0.38 0.31 -0.21 0.00 0.31 0.00 0.00 61.69 62.47 1uxs s THR 228 Cb 0.21 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1uxs s THR 228 CO 0.28 0.43 0.68 -0.70 -0.69 0.00 0.00 174.62 174.61 1uxs s GLU 229 N 0.38 3.74 -0.24 4.92 2.12 0.35 -4.92 118.70 125.05 1uxs s GLU 229 Ca 0.11 0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.62 1uxs s GLU 229 Cb -0.12 -3.79 0.04 0.00 0.26 0.00 0.00 34.13 30.52 1uxs s GLU 229 CO -0.00 -0.74 -0.12 -1.17 -0.54 0.00 0.00 175.26 172.70 1uxs s LEU 230 N 2.80 3.06 0.50 2.70 2.96 -1.26 -0.68 118.68 128.76 1uxs s LEU 230 Ca 0.27 -1.07 -0.18 0.00 -0.22 0.00 0.00 54.13 52.93 1uxs s LEU 230 Cb -0.14 -1.57 -0.08 0.00 0.50 0.00 0.00 46.19 44.90 1uxs s LEU 230 CO 0.15 -0.13 1.00 0.68 -1.32 0.00 0.00 176.35 176.73 1uxs s VAL 231 N 1.21 4.23 0.32 1.68 -7.23 -0.93 -5.01 120.40 114.68 1uxs s VAL 231 Ca -0.03 1.21 -0.29 0.00 -1.81 0.00 0.00 61.98 61.06 1uxs s VAL 231 Cb -0.17 -3.58 -0.12 0.00 0.56 0.00 0.00 36.38 33.07 1uxs s VAL 231 CO -0.07 -0.48 1.42 -0.62 -0.31 0.00 0.00 175.10 175.04 1uxs n GLU 232 N -1.31 2.34 -1.71 4.82 1.02 -1.26 -4.60 120.64 119.94 1uxs n GLU 232 Ca 0.08 0.82 -0.43 0.00 -0.02 0.00 0.00 57.16 57.61 1uxs n GLU 232 Cb 0.54 -2.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.44 1uxs n GLU 232 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1uxs n THR 233 N 1.05 0.82 -4.24 2.62 -1.04 -1.26 -4.84 114.28 107.39 1uxs n THR 233 Ca 0.06 -0.21 -0.17 0.00 -2.04 0.00 0.00 64.05 61.69 1uxs n THR 233 Cb 0.36 -1.77 -0.13 0.00 -1.82 0.00 0.00 70.33 66.97 1uxs n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uxs s ARG 234 N -0.21 0.73 0.18 -2.82 1.70 -0.58 -4.96 118.95 113.00 1uxs s ARG 234 Ca 0.68 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 55.00 1uxs s ARG 234 Cb -0.56 -0.67 -0.08 0.00 -0.57 0.00 0.00 34.95 33.07 1uxs s ARG 234 CO 0.47 0.16 1.08 -1.25 -1.08 0.00 0.00 175.30 174.68 1uxs s PRO 235 N -1.04 4.61 0.36 3.89 0.04 -1.26 -0.87 135.00 140.74 1uxs s PRO 235 Ca -0.01 1.69 0.19 0.00 0.04 0.00 0.00 61.00 62.92 1uxs s PRO 235 Cb -0.07 -3.28 0.28 0.00 0.04 0.00 0.00 34.50 31.47 1uxs s PRO 235 CO 0.01 0.11 1.56 0.00 0.04 0.00 0.00 177.00 178.71 1uxs h ALA 236 N 5.02 0.84 0.00 8.56 0.00 -1.29 -3.47 119.26 128.93 1uxs h ALA 236 Ca -0.44 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1uxs h ALA 236 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1uxs h ALA 236 CO 0.72 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.71 1uxs n GLY 237 N 1.06 0.31 0.48 0.00 0.00 -1.26 -4.95 105.19 100.83 1uxs n GLY 237 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1uxs n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uxs n ASP 238 N 0.00 1.85 0.00 1.61 5.68 -1.26 -4.94 116.55 119.49 1uxs n ASP 238 Ca 0.00 -3.67 0.00 0.00 -0.50 0.00 0.00 54.79 50.62 1uxs n ASP 238 Cb 0.00 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 1uxs n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1uxs n ARG 239 N -1.17 0.00 -2.51 0.11 1.85 -1.26 -5.03 116.66 108.65 1uxs n ARG 239 Ca 0.18 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.80 1uxs n ARG 239 Cb 0.69 -0.06 0.07 0.00 -1.05 0.00 0.00 32.46 32.11 1uxs n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1uxs s THR 240 N -2.42 2.40 0.29 8.89 -4.23 -1.26 -4.87 115.64 114.44 1uxs s THR 240 Ca 0.00 -0.54 0.06 0.00 -1.18 0.00 0.00 61.69 60.03 1uxs s THR 240 Cb 0.00 -2.87 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 1uxs s THR 240 CO 0.00 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.69 1uxs s PHE 241 N -3.01 1.93 0.07 3.99 0.08 0.31 -0.81 117.98 120.54 1uxs s PHE 241 Ca 0.61 -0.77 0.04 0.00 0.12 0.00 0.00 56.93 56.92 1uxs s PHE 241 Cb -0.09 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1uxs s PHE 241 CO 0.42 0.20 -0.11 -0.65 -0.10 0.00 0.00 175.22 174.98 1uxs s GLN 242 N -3.77 0.73 0.00 0.44 -0.21 -0.05 -2.00 119.66 114.80 1uxs s GLN 242 Ca 0.31 -0.96 -0.25 0.00 0.02 0.00 0.00 55.36 54.47 1uxs s GLN 242 Cb 0.05 -0.54 0.06 0.00 1.00 0.00 0.00 33.01 33.58 1uxs s GLN 242 CO 0.12 0.10 0.57 0.21 -2.12 0.00 0.00 175.29 174.18 1uxs s LYS 243 N -2.06 1.02 0.05 2.91 2.20 -0.42 -1.52 119.74 121.92 1uxs s LYS 243 Ca -0.02 -0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.55 1uxs s LYS 243 Cb -0.07 0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 1uxs s LYS 243 CO 0.01 -0.34 -0.01 1.67 -0.36 0.00 0.00 175.35 176.32 1uxs s TRP 244 N -1.83 0.48 -0.03 4.03 1.48 -1.26 -1.06 118.94 120.75 1uxs s TRP 244 Ca -0.08 -1.01 0.02 0.00 -1.06 0.00 0.00 56.10 53.96 1uxs s TRP 244 Cb -0.01 -0.35 0.01 0.00 -1.16 0.00 0.00 33.47 31.96 1uxs s TRP 244 CO 0.04 -0.40 -0.06 0.00 -4.06 0.00 0.00 176.95 172.47 1uxs s ALA 245 N -3.90 0.72 0.02 2.67 0.00 -0.63 -2.19 121.76 118.45 1uxs s ALA 245 Ca 0.07 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 51.89 1uxs s ALA 245 Cb 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1uxs s ALA 245 CO -0.10 0.06 -0.12 0.00 0.00 0.00 0.00 175.76 175.60 1uxs s ALA 246 N 0.52 0.99 0.04 0.00 0.00 0.14 -0.11 121.76 123.34 1uxs s ALA 246 Ca -0.07 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1uxs s ALA 246 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1uxs s ALA 246 CO 0.00 0.19 -0.13 0.14 0.00 0.00 0.00 175.76 175.97 1uxs s VAL 247 N -0.68 0.98 -0.18 0.00 -7.23 -0.55 -0.50 120.40 112.25 1uxs s VAL 247 Ca 0.01 -1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 59.02 1uxs s VAL 247 Cb -0.07 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1uxs s VAL 247 CO 0.01 -0.08 0.39 -0.69 -0.31 0.00 0.00 175.10 174.41 1uxs s VAL 248 N -0.94 5.22 0.03 1.32 1.01 -1.26 -1.17 120.40 124.60 1uxs s VAL 248 Ca -0.01 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1uxs s VAL 248 Cb -0.08 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1uxs s VAL 248 CO 0.01 0.29 -0.20 0.68 0.00 0.00 0.00 175.10 175.88 1uxs s VAL 249 N 1.05 1.59 0.40 2.92 -7.23 0.45 -4.97 120.40 114.62 1uxs s VAL 249 Ca 0.19 -1.08 -0.26 0.00 -1.81 0.00 0.00 61.98 59.02 1uxs s VAL 249 Cb -0.14 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.34 1uxs s VAL 249 CO 0.07 0.26 1.31 -2.84 -0.31 0.00 0.00 175.10 173.59 1uxs s PRO 250 N -0.96 4.00 0.26 4.82 0.02 -1.26 -1.78 135.00 140.09 1uxs s PRO 250 Ca 0.07 2.17 -0.31 0.00 0.02 0.00 0.00 61.00 62.95 1uxs s PRO 250 Cb -0.08 -2.78 -0.13 0.00 0.02 0.00 0.00 34.50 31.52 1uxs s PRO 250 CO 0.01 -0.47 1.44 0.43 -0.33 0.00 0.00 177.00 178.07 1uxs n SER 251 N 0.18 2.97 0.00 2.53 7.64 -0.31 -1.63 113.62 125.00 1uxs n SER 251 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1uxs n SER 251 Cb 0.43 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1uxs n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uxs n GLY 252 N 2.08 1.74 1.31 0.23 0.00 -1.26 -4.90 105.19 104.39 1uxs n GLY 252 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1uxs n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uxs n GLU 253 N -2.00 3.30 0.08 1.61 1.02 -0.65 -4.64 120.64 119.35 1uxs n GLU 253 Ca 0.00 -2.69 0.04 0.00 -0.02 0.00 0.00 57.16 54.49 1uxs n GLU 253 Cb 0.00 -1.71 0.46 0.00 -0.02 0.00 0.00 31.44 30.17 1uxs n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1uxs h GLU 254 N 3.57 0.36 0.00 3.49 3.07 -1.91 -2.34 114.58 120.84 1uxs h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1uxs h GLU 254 Cb 1.22 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1uxs h GLU 254 CO 0.14 0.29 0.00 1.04 -1.40 0.00 0.00 179.01 179.08 1uxs n GLN 255 N -4.45 0.46 0.18 2.33 1.13 -1.26 -1.76 117.38 114.01 1uxs n GLN 255 Ca 0.01 0.02 0.13 0.00 -1.94 0.00 0.00 57.00 55.23 1uxs n GLN 255 Cb 0.11 -1.50 0.41 0.00 0.11 0.00 0.00 30.24 29.37 1uxs n GLN 255 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1uxs h ARG 256 N 0.00 0.00 -5.43 -1.09 3.08 -1.78 -3.46 114.38 105.70 1uxs h ARG 256 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1uxs h ARG 256 Cb 0.22 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.12 1uxs h ARG 256 CO 0.00 0.00 -0.57 0.71 -1.07 0.00 0.00 179.97 179.04 1uxs s TYR 257 N -3.29 3.26 0.00 3.04 1.51 -0.72 -1.19 117.35 119.95 1uxs s TYR 257 Ca 0.06 0.11 0.06 0.00 -1.01 0.00 0.00 57.07 56.29 1uxs s TYR 257 Cb 0.09 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1uxs s TYR 257 CO 0.57 0.25 -0.18 0.95 -1.11 0.00 0.00 175.55 176.03 1uxs s THR 258 N 0.03 1.44 -0.14 -0.71 -4.23 -0.24 -4.66 115.64 107.12 1uxs s THR 258 Ca 0.05 -0.87 -0.07 0.00 -1.18 0.00 0.00 61.69 59.63 1uxs s THR 258 Cb -0.12 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 1uxs s THR 258 CO 0.01 0.33 0.10 0.00 -0.54 0.00 0.00 174.62 174.52 1uxs s HIS 260 N -0.50 2.59 -0.09 0.00 3.76 0.07 -0.89 115.29 120.23 1uxs s HIS 260 Ca 0.11 -0.76 0.01 0.00 -0.15 0.00 0.00 55.06 54.27 1uxs s HIS 260 Cb -0.12 -1.69 0.02 0.00 1.11 0.00 0.00 32.58 31.90 1uxs s HIS 260 CO 0.02 -0.24 -0.09 0.08 -0.85 0.00 0.00 174.74 173.65 1uxs s VAL 261 N 0.06 1.04 -0.08 -0.90 1.01 -0.95 -1.74 120.40 118.85 1uxs s VAL 261 Ca -0.09 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1uxs s VAL 261 Cb -0.15 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 1uxs s VAL 261 CO 0.06 0.36 -0.24 -1.58 0.00 0.00 0.00 175.10 173.69 1uxs s GLN 262 N 1.27 2.84 -0.07 2.72 2.00 -0.45 -1.98 119.66 125.98 1uxs s GLN 262 Ca -0.03 -0.89 -0.25 0.00 -2.00 0.00 0.00 55.36 52.19 1uxs s GLN 262 Cb -0.14 -2.24 0.06 0.00 0.80 0.00 0.00 33.01 31.48 1uxs s GLN 262 CO -0.03 0.27 0.56 -1.58 -0.50 0.00 0.00 175.29 174.01 1uxs s HIS 263 N 0.12 -0.53 0.48 1.67 5.65 -1.26 -2.01 115.29 119.41 1uxs s HIS 263 Ca -0.12 0.99 0.18 0.00 0.25 0.00 0.00 55.06 56.36 1uxs s HIS 263 Cb -0.16 0.29 1.19 0.00 -1.18 0.00 0.00 32.58 32.72 1uxs s HIS 263 CO 0.07 -0.49 2.00 1.49 -0.65 0.00 0.00 174.74 177.15 1uxs h GLU 264 N 3.66 0.21 -0.00 2.88 4.81 -1.93 -2.71 114.58 121.50 1uxs h GLU 264 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1uxs h GLU 264 Cb 1.16 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1uxs h GLU 264 CO 0.34 0.14 -0.15 0.41 -0.73 0.00 0.00 179.01 179.02 1uxs n GLY 265 N -1.57 -1.11 3.76 1.92 0.00 -1.26 -4.87 105.19 102.06 1uxs n GLY 265 Ca 0.09 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1uxs n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uxs s LEU 266 N -2.66 4.43 0.23 0.99 1.43 -1.02 -4.07 118.68 118.01 1uxs s LEU 266 Ca 0.23 1.26 -0.07 0.00 -1.03 0.00 0.00 54.13 54.52 1uxs s LEU 266 Cb 0.19 -3.03 0.40 0.00 0.03 0.00 0.00 46.19 43.79 1uxs s LEU 266 CO 0.52 0.07 1.67 -0.65 0.23 0.00 0.00 176.35 178.20 1uxs h PRO 267 N 5.64 0.19 -3.32 1.29 0.11 -1.90 -3.43 132.00 130.58 1uxs h PRO 267 Ca -0.45 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 1uxs h PRO 267 Cb 1.20 -0.04 -0.21 0.00 0.11 0.00 0.00 31.00 32.06 1uxs h PRO 267 CO 0.70 0.13 -0.41 0.21 -0.21 0.00 0.00 178.00 178.42 1uxs s LYS 268 N -6.09 0.54 0.39 1.05 2.20 -1.26 -5.15 119.74 111.43 1uxs s LYS 268 Ca -0.13 -0.29 -0.25 0.00 -0.36 0.00 0.00 55.97 54.94 1uxs s LYS 268 Cb 0.21 0.23 -0.11 0.00 -1.51 0.00 0.00 37.83 36.65 1uxs s LYS 268 CO 0.75 -0.14 1.02 -2.30 -0.36 0.00 0.00 175.35 174.33 1uxs n PRO 269 N 1.46 1.40 -3.74 4.03 -0.02 -1.26 -4.97 135.00 131.90 1uxs n PRO 269 Ca -0.22 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 1uxs n PRO 269 Cb 0.56 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 1uxs n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uxs s LEU 270 N -0.39 4.34 -0.17 2.45 1.43 -0.84 -4.96 118.68 120.55 1uxs s LEU 270 Ca 0.62 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 1uxs s LEU 270 Cb -0.58 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 42.76 1uxs s LEU 270 CO 0.58 0.18 -0.17 -0.89 0.23 0.00 0.00 176.35 176.29 1uxs s THR 271 N -1.43 1.82 0.21 5.49 2.01 -1.26 -2.24 115.64 120.25 1uxs s THR 271 Ca 0.32 -0.82 0.10 0.00 0.31 0.00 0.00 61.69 61.60 1uxs s THR 271 Cb -0.13 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.65 1uxs s THR 271 CO 0.20 0.47 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.63 1uxs s LEU 272 N 1.38 2.49 0.15 4.42 1.02 -0.07 -4.95 118.68 123.14 1uxs s LEU 272 Ca 0.04 -0.93 0.01 0.00 0.02 0.00 0.00 54.13 53.27 1uxs s LEU 272 Cb -0.13 -1.00 -0.04 0.00 0.02 0.00 0.00 46.19 45.03 1uxs s LEU 272 CO -0.11 0.02 0.01 0.00 0.02 0.00 0.00 176.35 176.29 1uxs s ARG 273 N -3.05 1.03 0.19 1.70 1.70 -1.26 -0.80 118.95 118.45 1uxs s ARG 273 Ca 0.22 -1.49 -0.32 0.00 -0.47 0.00 0.00 55.73 53.68 1uxs s ARG 273 Cb -0.06 -0.12 -0.11 0.00 -0.57 0.00 0.00 34.95 34.09 1uxs s ARG 273 CO 0.10 -0.16 1.69 -0.46 -1.08 0.00 0.00 175.30 175.40 1uxs s TRP 274 N -3.76 2.87 -0.43 5.89 -0.00 -1.26 -4.71 118.94 117.53 1uxs s TRP 274 Ca 0.23 0.38 0.03 0.00 -0.00 0.00 0.00 56.10 56.74 1uxs s TRP 274 Cb 0.06 -4.09 0.12 0.00 -0.00 0.00 0.00 33.47 29.57 1uxs s TRP 274 CO 0.02 -4.13 0.19 -1.21 -0.00 0.00 0.00 176.95 171.82 1uxs s GLU 275 N 1.34 1.54 0.00 5.86 2.02 -1.26 -4.97 118.70 123.22 1uxs s GLU 275 Ca 0.74 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1uxs s GLU 275 Cb -0.48 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1uxs s GLU 275 CO 0.32 -1.07 0.43 -2.30 0.02 0.00 0.00 175.26 172.67