#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8i s ALA 4 N 0.00 3.67 1.04 2.89 0.00 -1.26 -5.00 121.76 123.10 3b8i s ALA 4 Ca 0.00 1.26 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 3b8i s ALA 4 Cb 0.00 -3.75 0.21 0.00 0.00 0.00 0.00 23.12 19.58 3b8i s ALA 4 CO 0.00 -1.28 1.09 -1.54 0.00 0.00 0.00 175.76 174.03 3b8i s SER 5 N 3.06 2.25 0.38 0.00 1.04 -1.26 -4.83 113.70 114.33 3b8i s SER 5 Ca 0.79 1.14 0.05 0.00 0.48 0.00 0.00 55.95 58.41 3b8i s SER 5 Cb -0.41 -1.79 0.75 0.00 0.10 0.00 0.00 66.02 64.66 3b8i s SER 5 CO 0.35 -3.36 2.03 0.45 0.98 0.00 0.00 173.24 173.69 3b8i h HIS 6 N -2.05 0.66 -0.15 5.02 3.86 -1.95 -2.15 115.15 118.39 3b8i h HIS 6 Ca -0.55 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 58.62 3b8i h HIS 6 Cb 1.33 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 3b8i h HIS 6 CO 0.11 0.41 -0.13 1.25 0.86 0.00 0.00 177.93 180.44 3b8i h HIS 7 N 0.71 0.42 -0.77 2.45 -0.00 -1.92 -2.79 115.15 113.25 3b8i h HIS 7 Ca 0.20 -0.12 0.07 0.00 -0.00 0.00 0.00 60.37 60.52 3b8i h HIS 7 Cb -0.07 -0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 27.20 3b8i h HIS 7 CO -0.00 0.73 0.51 0.93 -0.00 0.00 0.00 177.93 180.09 3b8i h GLU 8 N -0.00 0.78 -0.05 5.26 5.08 -1.87 -0.77 114.58 123.00 3b8i h GLU 8 Ca 0.03 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3b8i h GLU 8 Cb 0.64 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3b8i h GLU 8 CO 0.03 0.51 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.09 3b8i h LEU 9 N 0.80 0.11 -0.37 1.33 3.38 -1.39 -0.28 115.31 118.88 3b8i h LEU 9 Ca 0.34 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 3b8i h LEU 9 Cb 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3b8i h LEU 9 CO -0.12 0.50 -0.17 0.03 0.09 0.00 0.00 178.44 178.77 3b8i h ARG 10 N 0.09 0.77 -0.43 1.13 3.08 -1.00 -1.96 114.38 116.06 3b8i h ARG 10 Ca 0.01 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 59.73 3b8i h ARG 10 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3b8i h ARG 10 CO 0.06 0.95 0.27 0.00 -1.07 0.00 0.00 179.97 180.18 3b8i h ALA 11 N 0.80 0.54 -0.90 0.04 0.00 -0.88 -1.69 119.26 117.18 3b8i h ALA 11 Ca 0.08 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3b8i h ALA 11 Cb 0.71 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3b8i h ALA 11 CO 0.05 -0.02 0.59 0.52 0.00 0.00 0.00 179.25 180.39 3b8i h MET 12 N 0.56 1.15 -0.33 0.00 2.86 -1.03 -1.26 114.93 116.89 3b8i h MET 12 Ca 0.16 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 3b8i h MET 12 Cb -0.04 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.35 3b8i h MET 12 CO -0.05 0.76 -0.31 0.35 1.06 0.00 0.00 176.91 178.72 3b8i h PHE 13 N 1.19 0.94 -0.71 -0.22 3.57 -1.16 -2.71 116.94 117.84 3b8i h PHE 13 Ca 0.34 -0.28 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3b8i h PHE 13 Cb -0.09 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.41 3b8i h PHE 13 CO -0.00 1.05 0.47 0.00 -2.23 0.00 0.00 178.31 177.61 3b8i h ARG 14 N 0.56 0.93 -0.93 1.11 -0.00 -1.17 -2.08 114.38 112.80 3b8i h ARG 14 Ca 0.05 -0.06 0.11 0.00 -0.50 0.00 0.00 59.98 59.58 3b8i h ARG 14 Cb 0.89 -0.21 -0.08 0.00 0.00 0.00 0.00 29.97 30.57 3b8i h ARG 14 CO 0.08 0.62 0.57 0.00 0.00 0.00 0.00 179.97 181.23 3b8i h ALA 15 N 1.26 1.36 -0.27 0.04 0.00 -1.16 -0.53 119.26 119.97 3b8i h ALA 15 Ca 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3b8i h ALA 15 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3b8i h ALA 15 CO -0.06 0.19 0.09 -0.07 0.00 0.00 0.00 179.25 179.40 3b8i h LEU 16 N 0.92 0.39 -1.76 0.00 3.38 -1.26 -2.18 115.31 114.81 3b8i h LEU 16 Ca 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3b8i h LEU 16 Cb 0.41 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3b8i h LEU 16 CO -0.25 0.49 -0.15 -0.07 0.09 0.00 0.00 178.44 178.54 3b8i h LEU 17 N 0.28 0.00 0.00 1.67 3.38 -0.83 -2.67 115.31 117.15 3b8i h LEU 17 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3b8i h LEU 17 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3b8i h LEU 17 CO -0.00 0.15 -0.44 0.44 0.09 0.00 0.00 178.44 178.68 3b8i h ASP 18 N 0.00 0.00 -3.68 -0.43 3.32 -1.00 -3.47 116.42 111.16 3b8i h ASP 18 Ca -0.00 -0.06 -0.44 0.00 0.02 0.00 0.00 57.03 56.55 3b8i h ASP 18 Cb 0.30 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.02 3b8i h ASP 18 CO 0.02 0.03 0.15 -0.94 -1.72 0.00 0.00 179.24 176.78 3b8i s SER 19 N -5.10 1.79 0.00 6.45 1.04 -0.83 -4.96 113.70 112.08 3b8i s SER 19 Ca 0.06 0.99 0.26 0.00 0.48 0.00 0.00 55.95 57.74 3b8i s SER 19 Cb 0.10 -1.52 0.73 0.00 0.10 0.00 0.00 66.02 65.43 3b8i s SER 19 CO 0.70 -3.63 1.56 -1.54 0.98 0.00 0.00 173.24 171.31 3b8i n SER 20 N -4.48 0.62 -4.99 7.02 3.41 -1.26 -4.95 113.62 108.99 3b8i n SER 20 Ca 0.08 -0.42 -0.19 0.00 -0.26 0.00 0.00 58.87 58.07 3b8i n SER 20 Cb 0.58 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 3b8i n SER 20 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3b8i s ARG 21 N -2.78 3.00 0.12 4.33 0.52 -1.26 -4.58 118.95 118.30 3b8i s ARG 21 Ca 0.17 -1.03 0.11 0.00 -0.52 0.00 0.00 55.73 54.46 3b8i s ARG 21 Cb 0.18 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 3b8i s ARG 21 CO 0.60 -0.10 -0.27 0.00 0.02 0.00 0.00 175.30 175.56 3b8i s TYR 23 N -1.03 1.96 -0.25 0.00 2.02 0.12 -4.93 117.35 115.25 3b8i s TYR 23 Ca 0.13 -0.41 -0.08 0.00 -0.37 0.00 0.00 57.07 56.33 3b8i s TYR 23 Cb -0.10 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 3b8i s TYR 23 CO 0.05 0.30 0.10 -1.01 -1.57 0.00 0.00 175.55 173.42 3b8i s HIS 24 N -1.41 3.13 0.45 2.71 3.76 -1.26 0.58 115.29 123.25 3b8i s HIS 24 Ca 0.12 -0.25 -0.24 0.00 -0.15 0.00 0.00 55.06 54.54 3b8i s HIS 24 Cb -0.09 -2.26 -0.08 0.00 1.11 0.00 0.00 32.58 31.26 3b8i s HIS 24 CO 0.06 -0.27 1.31 0.95 -0.85 0.00 0.00 174.74 175.94 3b8i s THR 25 N 1.57 2.49 0.26 1.30 -4.23 -0.63 -4.77 115.64 111.63 3b8i s THR 25 Ca 0.06 0.41 -0.29 0.00 -1.18 0.00 0.00 61.69 60.69 3b8i s THR 25 Cb -0.15 -3.23 -0.09 0.00 1.34 0.00 0.00 72.50 70.37 3b8i s THR 25 CO 0.05 0.04 0.95 0.00 -0.54 0.00 0.00 174.62 175.12 3b8i s ALA 26 N -1.31 3.31 -0.27 3.99 0.00 -0.91 -4.72 121.76 121.85 3b8i s ALA 26 Ca 0.62 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 3b8i s ALA 26 Cb -0.38 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 3b8i s ALA 26 CO 0.48 0.18 1.76 0.45 0.00 0.00 0.00 175.76 178.63 3b8i s SER 27 N -1.27 6.06 -0.25 0.00 0.15 -1.26 -0.63 113.70 116.49 3b8i s SER 27 Ca 0.43 1.49 0.01 0.00 0.70 0.00 0.00 55.95 58.58 3b8i s SER 27 Cb -0.24 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.60 3b8i s SER 27 CO 0.30 -1.54 -0.05 -0.69 1.20 0.00 0.00 173.24 172.47 3b8i s VAL 28 N 6.27 1.65 0.00 4.45 1.01 -0.41 -4.87 120.40 128.51 3b8i s VAL 28 Ca 0.78 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3b8i s VAL 28 Cb -0.24 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3b8i s VAL 28 CO 0.33 -0.16 0.00 2.22 0.00 0.00 0.00 175.10 177.48 3b8i n PHE 29 N 4.61 0.00 -3.91 5.22 1.16 -1.26 -3.33 117.46 119.95 3b8i n PHE 29 Ca -0.10 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.38 3b8i n PHE 29 Cb 0.43 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.29 3b8i n PHE 29 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 3b8i s ASP 30 N -1.23 0.08 0.17 5.98 1.47 -1.26 -4.92 116.67 116.96 3b8i s ASP 30 Ca 0.00 -1.03 -0.15 0.00 1.18 0.00 0.00 52.55 52.55 3b8i s ASP 30 Cb 0.00 0.74 0.07 0.00 -0.34 0.00 0.00 42.92 43.38 3b8i s ASP 30 CO 0.00 -1.43 1.81 -0.65 0.68 0.00 0.00 175.17 175.58 3b8i h PRO 31 N 2.07 0.55 -0.33 2.11 0.11 -1.90 -1.69 132.00 132.91 3b8i h PRO 31 Ca -0.27 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.85 3b8i h PRO 31 Cb 1.25 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3b8i h PRO 31 CO 0.35 0.36 0.10 0.52 -0.21 0.00 0.00 178.00 179.12 3b8i h MET 32 N 0.56 0.22 -0.10 1.05 2.86 -1.97 -1.28 114.93 116.28 3b8i h MET 32 Ca 0.18 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3b8i h MET 32 Cb 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3b8i h MET 32 CO -0.08 0.15 -0.15 0.66 1.06 0.00 0.00 176.91 178.55 3b8i h SER 33 N 0.23 0.14 -0.07 1.22 4.64 -1.89 -0.75 113.55 117.06 3b8i h SER 33 Ca 0.15 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.27 3b8i h SER 33 Cb 0.14 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3b8i h SER 33 CO -0.17 0.31 -0.55 0.00 -0.87 0.00 0.00 176.83 175.54 3b8i h ALA 34 N 1.71 0.62 -0.20 5.18 0.00 -0.83 -0.44 119.26 125.29 3b8i h ALA 34 Ca 0.03 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3b8i h ALA 34 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3b8i h ALA 34 CO 0.02 0.69 -0.34 0.00 0.00 0.00 0.00 179.25 179.62 3b8i h ARG 35 N 0.51 0.58 -0.24 0.00 3.08 -0.79 -2.33 114.38 115.18 3b8i h ARG 35 Ca 0.01 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 59.73 3b8i h ARG 35 Cb 1.12 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 3b8i h ARG 35 CO 0.11 0.97 0.08 0.82 -1.07 0.00 0.00 179.97 180.88 3b8i h ILE 36 N 0.26 0.93 -0.51 2.04 2.04 -1.03 -1.97 117.51 119.28 3b8i h ILE 36 Ca 0.02 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.84 3b8i h ILE 36 Cb 0.92 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3b8i h ILE 36 CO 0.08 0.03 0.29 0.00 0.00 0.00 0.00 178.15 178.55 3b8i h ALA 37 N 1.15 0.65 -0.16 1.87 0.00 -1.06 -1.00 119.26 120.70 3b8i h ALA 37 Ca 0.11 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3b8i h ALA 37 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3b8i h ALA 37 CO -0.11 -0.02 -0.32 0.00 0.00 0.00 0.00 179.25 178.80 3b8i h ALA 38 N 1.24 1.16 -0.35 0.00 0.00 -1.38 -1.85 119.26 118.07 3b8i h ALA 38 Ca 0.21 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3b8i h ALA 38 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3b8i h ALA 38 CO -0.11 0.54 0.02 0.22 0.00 0.00 0.00 179.25 179.93 3b8i h ASP 39 N 0.28 0.59 0.00 0.00 3.58 -0.77 -2.46 116.42 117.64 3b8i h ASP 39 Ca 0.04 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.20 3b8i h ASP 39 Cb 0.70 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.59 3b8i h ASP 39 CO 0.05 0.74 0.00 0.18 -2.88 0.00 0.00 179.24 177.33 3b8i n LEU 40 N -4.53 0.00 0.00 2.28 4.77 -0.43 -4.88 117.00 114.21 3b8i n LEU 40 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3b8i n LEU 40 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3b8i n LEU 40 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3b8i n GLY 41 N 0.23 0.74 3.69 -0.72 0.00 -0.93 -5.04 105.19 103.16 3b8i n GLY 41 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3b8i n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3b8i n PHE 42 N -2.45 1.90 0.02 1.61 3.72 -0.71 -4.94 117.46 116.61 3b8i n PHE 42 Ca 0.00 0.49 -0.12 0.00 -0.05 0.00 0.00 57.45 57.77 3b8i n PHE 42 Cb 0.00 -2.33 -0.14 0.00 -0.94 0.00 0.00 39.48 36.07 3b8i n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3b8i h GLU 43 N 1.73 0.10 -3.60 -1.08 3.07 -1.89 -3.44 114.58 109.47 3b8i h GLU 43 Ca -0.48 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.15 3b8i h GLU 43 Cb 1.31 0.06 -0.12 0.00 -0.84 0.00 0.00 28.75 29.16 3b8i h GLU 43 CO 0.58 0.85 -0.19 0.00 -1.40 0.00 0.00 179.01 178.85 3b8i s GLY 45 N -2.87 1.99 -0.05 0.00 0.00 0.16 -2.13 107.32 104.42 3b8i s GLY 45 Ca 0.08 -1.97 -0.02 0.00 0.00 0.00 0.00 44.72 42.81 3b8i s GLY 45 CO -0.07 -1.75 0.08 -1.50 0.00 0.00 0.00 173.10 169.86 3b8i s ILE 46 N -3.43 -0.13 -0.46 0.90 1.10 0.19 -1.02 121.20 118.35 3b8i s ILE 46 Ca 0.36 0.35 -0.16 0.00 -0.51 0.00 0.00 60.65 60.70 3b8i s ILE 46 Cb 0.08 -0.17 0.06 0.00 0.15 0.00 0.00 42.46 42.58 3b8i s ILE 46 CO 0.15 0.15 0.41 -0.22 -2.11 0.00 0.00 174.94 173.31 3b8i s LEU 47 N 1.89 5.44 0.14 8.50 2.96 0.69 -1.28 118.68 137.02 3b8i s LEU 47 Ca 0.01 -1.19 -0.18 0.00 -0.22 0.00 0.00 54.13 52.55 3b8i s LEU 47 Cb -0.12 -2.22 -0.07 0.00 0.50 0.00 0.00 46.19 44.28 3b8i s LEU 47 CO -0.04 -0.64 0.62 -0.83 -1.32 0.00 0.00 176.35 174.14 3b8i s GLY 48 N 2.44 2.60 0.34 7.98 0.00 -1.26 -1.31 107.32 118.11 3b8i s GLY 48 Ca 0.06 0.03 0.05 0.00 0.00 0.00 0.00 44.72 44.86 3b8i s GLY 48 CO 0.08 0.40 1.91 -1.33 0.00 0.00 0.00 173.10 174.16 3b8i h GLY 49 N 3.91 1.15 1.01 0.20 0.00 -1.98 -2.52 103.07 104.84 3b8i h GLY 49 Ca -0.49 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.44 3b8i h GLY 49 CO 0.65 0.20 0.10 1.48 0.00 0.00 0.00 176.54 178.97 3b8i h SER 50 N 0.82 0.88 0.02 0.19 4.64 -1.93 -1.00 113.55 117.17 3b8i h SER 50 Ca 0.38 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 3b8i h SER 50 Cb 0.39 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3b8i h SER 50 CO -0.15 0.91 -0.44 0.58 -0.87 0.00 0.00 176.83 176.87 3b8i h VAL 51 N 0.81 1.31 -0.60 0.95 2.07 -1.91 -1.55 116.25 117.33 3b8i h VAL 51 Ca 0.17 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 3b8i h VAL 51 Cb 0.40 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3b8i h VAL 51 CO 0.01 0.50 0.37 0.00 0.02 0.00 0.00 177.57 178.47 3b8i h ALA 52 N 1.11 0.77 -0.73 1.67 0.00 -1.37 0.00 119.26 120.71 3b8i h ALA 52 Ca 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3b8i h ALA 52 Cb 0.93 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3b8i h ALA 52 CO 0.08 0.24 0.39 1.03 0.00 0.00 0.00 179.25 181.00 3b8i h SER 53 N 0.82 0.92 -0.16 0.00 0.87 -0.78 0.15 113.55 115.37 3b8i h SER 53 Ca 0.22 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3b8i h SER 53 Cb -0.03 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3b8i h SER 53 CO -0.04 0.76 0.05 -0.07 -0.53 0.00 0.00 176.83 177.01 3b8i h LEU 54 N 1.01 0.22 -0.20 2.23 3.38 -1.19 -1.39 115.31 119.38 3b8i h LEU 54 Ca 0.26 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3b8i h LEU 54 Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3b8i h LEU 54 CO -0.04 0.35 0.11 1.56 0.09 0.00 0.00 178.44 180.51 3b8i h GLN 55 N 0.08 0.22 0.08 1.13 4.20 -0.68 0.30 115.11 120.45 3b8i h GLN 55 Ca 0.05 -0.01 -0.28 0.00 0.06 0.00 0.00 58.65 58.47 3b8i h GLN 55 Cb 0.20 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3b8i h GLN 55 CO -0.00 0.15 -1.38 0.28 -0.67 0.00 0.00 178.83 177.20 3b8i h VAL 56 N 0.23 1.30 0.00 -0.54 2.07 -1.05 -3.41 116.25 114.86 3b8i h VAL 56 Ca 0.08 -2.97 0.00 0.00 0.82 0.00 0.00 66.70 64.63 3b8i h VAL 56 Cb 0.00 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3b8i h VAL 56 CO -0.04 0.83 0.00 0.18 0.02 0.00 0.00 177.57 178.56 3b8i n LEU 57 N -3.40 0.02 -4.18 2.57 4.77 -0.56 -5.00 117.00 111.21 3b8i n LEU 57 Ca -0.11 -0.37 -0.30 0.00 -0.03 0.00 0.00 56.01 55.20 3b8i n LEU 57 Cb 1.02 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.05 3b8i n LEU 57 CO 0.50 0.00 -0.31 0.00 -1.33 0.00 0.00 177.39 176.25 3b8i n ALA 58 N -0.70 -1.87 -2.44 -1.18 0.00 0.11 -4.96 120.51 109.46 3b8i n ALA 58 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.87 3b8i n ALA 58 Cb 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 17.86 3b8i n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b8i s ALA 59 N -4.02 2.22 1.06 0.00 0.00 -1.06 -4.27 121.76 115.69 3b8i s ALA 59 Ca 0.14 -1.46 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 3b8i s ALA 59 Cb -0.08 -0.31 0.22 0.00 0.00 0.00 0.00 23.12 22.95 3b8i s ALA 59 CO 0.95 0.43 1.07 -2.14 0.00 0.00 0.00 175.76 176.07 3b8i s PRO 60 N -2.26 -0.04 -0.50 0.00 0.02 -1.26 -3.64 135.00 127.33 3b8i s PRO 60 Ca 0.14 0.58 -0.05 0.00 0.02 0.00 0.00 61.00 61.69 3b8i s PRO 60 Cb -0.09 -1.68 -0.12 0.00 0.02 0.00 0.00 34.50 32.64 3b8i s PRO 60 CO 0.07 -3.06 2.38 -3.47 -0.33 0.00 0.00 177.00 172.59 3b8i n ASP 61 N -4.42 4.43 -1.53 2.53 2.03 -1.26 -4.60 116.55 113.73 3b8i n ASP 61 Ca 0.04 -2.24 -0.01 0.00 0.52 0.00 0.00 54.79 53.11 3b8i n ASP 61 Cb 0.56 -1.04 0.28 0.00 -0.72 0.00 0.00 41.12 40.21 3b8i n ASP 61 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3b8i n PHE 62 N 3.35 1.77 -3.78 -0.67 3.72 -1.26 -4.95 117.46 115.65 3b8i n PHE 62 Ca 0.38 -1.16 -0.25 0.00 -0.05 0.00 0.00 57.45 56.37 3b8i n PHE 62 Cb 0.38 -0.54 0.04 0.00 -0.94 0.00 0.00 39.48 38.41 3b8i n PHE 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3b8i n ALA 63 N -0.40 -1.63 -0.04 4.37 0.00 -1.26 -4.73 120.51 116.82 3b8i n ALA 63 Ca 0.33 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 3b8i n ALA 63 Cb 1.18 -3.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.09 3b8i n ALA 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3b8i n LEU 64 N -4.52 1.63 -4.71 0.00 4.77 -1.26 -4.91 117.00 108.00 3b8i n LEU 64 Ca -0.12 0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.65 3b8i n LEU 64 Cb 0.60 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3b8i n LEU 64 CO 0.71 0.63 1.11 -0.38 -1.33 0.00 0.00 177.39 178.13 3b8i n ILE 65 N -3.19 1.19 -1.71 -0.08 2.08 -1.26 -5.02 119.36 111.38 3b8i n ILE 65 Ca -0.28 -0.30 -0.31 0.00 0.56 0.00 0.00 62.75 62.42 3b8i n ILE 65 Cb 1.06 -1.74 0.03 0.00 -0.75 0.00 0.00 39.64 38.24 3b8i n ILE 65 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3b8i s THR 66 N -0.25 4.32 0.31 1.39 -4.23 -1.26 -4.91 115.64 111.01 3b8i s THR 66 Ca 0.64 0.76 0.05 0.00 -1.18 0.00 0.00 61.69 61.95 3b8i s THR 66 Cb -0.56 -3.60 0.30 0.00 1.34 0.00 0.00 72.50 69.98 3b8i s THR 66 CO 0.52 -0.98 1.83 0.25 -0.54 0.00 0.00 174.62 175.70 3b8i h LEU 67 N -0.53 0.82 -0.77 4.79 5.85 -1.95 -1.87 115.31 121.66 3b8i h LEU 67 Ca -0.44 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 3b8i h LEU 67 Cb 1.20 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3b8i h LEU 67 CO 0.59 0.40 0.30 0.28 -0.34 0.00 0.00 178.44 179.68 3b8i h SER 68 N 0.86 1.06 -0.18 1.25 0.02 -1.99 -0.92 113.55 113.66 3b8i h SER 68 Ca 0.50 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3b8i h SER 68 Cb 0.64 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3b8i h SER 68 CO -0.27 0.95 0.07 -0.33 -1.14 0.00 0.00 176.83 176.11 3b8i h GLU 69 N 1.11 0.26 -0.62 3.45 5.08 -1.87 0.13 114.58 122.13 3b8i h GLU 69 Ca 0.25 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3b8i h GLU 69 Cb 0.22 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3b8i h GLU 69 CO -0.02 0.35 0.41 0.35 -1.00 0.00 0.00 179.01 179.09 3b8i h PHE 70 N 0.12 0.78 -0.67 4.33 3.57 -1.16 -1.68 116.94 122.23 3b8i h PHE 70 Ca 0.06 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3b8i h PHE 70 Cb 0.18 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3b8i h PHE 70 CO -0.01 0.49 0.18 0.28 -2.23 0.00 0.00 178.31 177.03 3b8i h VAL 71 N 0.83 1.25 -0.52 1.41 2.07 -0.94 -2.26 116.25 118.10 3b8i h VAL 71 Ca 0.23 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 66.93 3b8i h VAL 71 Cb -0.09 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 3b8i h VAL 71 CO -0.05 0.35 0.10 -0.08 0.02 0.00 0.00 177.57 177.91 3b8i h GLU 72 N 1.00 0.22 -0.50 1.57 4.57 -0.06 0.29 114.58 121.67 3b8i h GLU 72 Ca 0.22 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3b8i h GLU 72 Cb 0.32 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 3b8i h GLU 72 CO -0.00 0.15 0.30 1.96 -1.18 0.00 0.00 179.01 180.23 3b8i h GLN 73 N 0.23 0.68 -0.44 1.92 1.08 -0.85 -1.00 115.11 116.72 3b8i h GLN 73 Ca 0.26 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 3b8i h GLN 73 Cb 0.36 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3b8i h GLN 73 CO -0.35 0.50 -0.02 0.00 -0.95 0.00 0.00 178.83 178.02 3b8i h ALA 74 N 1.14 1.13 -0.29 3.87 0.00 -0.96 -2.61 119.26 121.54 3b8i h ALA 74 Ca 0.18 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3b8i h ALA 74 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3b8i h ALA 74 CO -0.03 0.56 -0.05 1.15 0.00 0.00 0.00 179.25 180.88 3b8i h THR 75 N 0.69 1.27 -0.67 0.00 2.02 -0.00 -0.61 112.91 115.61 3b8i h THR 75 Ca 0.13 -1.05 0.06 0.00 0.77 0.00 0.00 66.41 66.32 3b8i h THR 75 Cb 0.46 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 3b8i h THR 75 CO 0.02 0.33 0.38 0.03 0.37 0.00 0.00 175.52 176.65 3b8i h ARG 76 N 0.32 0.68 -0.81 6.66 3.08 -1.06 -1.30 114.38 121.95 3b8i h ARG 76 Ca 0.08 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3b8i h ARG 76 Cb 0.51 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 3b8i h ARG 76 CO 0.02 0.45 0.53 0.82 -1.07 0.00 0.00 179.97 180.72 3b8i h ILE 77 N 0.70 1.18 0.00 2.04 2.04 -1.30 -3.11 117.51 119.07 3b8i h ILE 77 Ca 0.30 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3b8i h ILE 77 Cb 0.17 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3b8i h ILE 77 CO -0.18 0.19 0.00 1.23 0.00 0.00 0.00 178.15 179.40 3b8i h GLY 78 N 1.07 0.00 2.00 5.37 0.00 0.07 -1.45 103.07 110.13 3b8i h GLY 78 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 3b8i h GLY 78 CO -0.08 0.00 -0.04 3.21 0.00 0.00 0.00 176.54 179.63 3b8i h ARG 79 N 0.00 0.00 0.00 4.80 3.08 -1.40 -3.35 114.38 117.51 3b8i h ARG 79 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3b8i h ARG 79 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3b8i h ARG 79 CO 0.00 0.04 -1.01 1.33 -1.07 0.00 0.00 179.97 179.26 3b8i n VAL 80 N -3.12 0.00 -1.86 2.04 0.24 -0.78 -5.09 118.33 109.76 3b8i n VAL 80 Ca 0.03 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 61.90 3b8i n VAL 80 Cb 0.48 0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 3b8i n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3b8i s ALA 81 N -2.01 3.78 -1.13 2.33 0.00 -0.62 -4.91 121.76 119.20 3b8i s ALA 81 Ca -0.00 1.38 0.11 0.00 0.00 0.00 0.00 51.96 53.45 3b8i s ALA 81 Cb 0.00 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.46 3b8i s ALA 81 CO 0.01 -0.96 0.72 0.54 0.00 0.00 0.00 175.76 176.07 3b8i n ARG 82 N 4.67 1.68 -4.21 0.00 1.74 -1.26 -4.93 116.66 114.35 3b8i n ARG 82 Ca 0.15 -0.78 -0.30 0.00 -0.77 0.00 0.00 57.85 56.16 3b8i n ARG 82 Cb 0.38 -1.15 -0.09 0.00 -1.02 0.00 0.00 32.46 30.59 3b8i n ARG 82 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3b8i s LEU 83 N -1.53 3.20 0.38 0.55 2.34 -1.26 -4.99 118.68 117.37 3b8i s LEU 83 Ca 0.10 -0.29 -0.27 0.00 0.06 0.00 0.00 54.13 53.73 3b8i s LEU 83 Cb 0.09 -1.96 -0.10 0.00 -0.56 0.00 0.00 46.19 43.66 3b8i s LEU 83 CO 0.25 0.18 1.40 -2.16 -1.06 0.00 0.00 176.35 174.97 3b8i s PRO 84 N -2.19 4.07 -0.06 1.48 0.04 -1.25 -4.82 135.00 132.27 3b8i s PRO 84 Ca 0.23 2.39 0.05 0.00 0.04 0.00 0.00 61.00 63.71 3b8i s PRO 84 Cb -0.11 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 3b8i s PRO 84 CO 0.15 -0.50 -0.22 0.08 0.04 0.00 0.00 177.00 176.56 3b8i s VAL 85 N -1.16 1.81 -0.11 -0.36 1.01 -1.26 -0.66 120.40 119.67 3b8i s VAL 85 Ca 0.54 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 3b8i s VAL 85 Cb -0.43 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 3b8i s VAL 85 CO 0.57 0.51 0.29 -0.63 0.00 0.00 0.00 175.10 175.84 3b8i s ILE 86 N -0.04 5.28 -0.19 2.22 1.01 -0.19 -1.22 121.20 128.08 3b8i s ILE 86 Ca -0.05 0.55 -0.08 0.00 0.00 0.00 0.00 60.65 61.06 3b8i s ILE 86 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3b8i s ILE 86 CO 0.04 0.49 0.08 0.00 0.00 0.00 0.00 174.94 175.55 3b8i s ALA 87 N -0.27 3.50 -0.51 9.38 0.00 -0.42 -0.22 121.76 133.20 3b8i s ALA 87 Ca 0.18 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 3b8i s ALA 87 Cb -0.14 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.01 3b8i s ALA 87 CO 0.06 0.17 1.15 0.34 0.00 0.00 0.00 175.76 177.49 3b8i s ASP 88 N 0.36 6.56 -0.25 0.00 3.68 -0.43 -1.81 116.67 124.79 3b8i s ASP 88 Ca 0.05 0.33 0.13 0.00 2.13 0.00 0.00 52.55 55.19 3b8i s ASP 88 Cb -0.12 -2.55 0.68 0.00 -1.45 0.00 0.00 42.92 39.49 3b8i s ASP 88 CO -0.01 -1.33 1.64 0.00 0.13 0.00 0.00 175.17 175.61 3b8i n ALA 89 N 8.03 3.84 -0.27 3.66 0.00 -0.99 -3.95 120.51 130.83 3b8i n ALA 89 Ca 0.11 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.28 3b8i n ALA 89 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3b8i n ALA 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3b8i n ASP 90 N -0.11 0.00 -1.16 0.00 10.43 -1.26 -0.70 116.55 123.75 3b8i n ASP 90 Ca 0.30 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.72 3b8i n ASP 90 Cb 1.15 0.00 0.24 0.00 1.84 0.00 0.00 41.12 44.35 3b8i n ASP 90 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3b8i n HIS 91 N 14.00 1.02 -1.27 1.24 1.44 -1.26 -1.26 115.22 129.13 3b8i n HIS 91 Ca 0.00 -0.40 -0.06 0.00 -2.01 0.00 0.00 57.72 55.25 3b8i n HIS 91 Cb 0.00 -0.20 -0.02 0.00 0.12 0.00 0.00 29.99 29.89 3b8i n HIS 91 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3b8i n GLY 92 N 0.81 0.77 2.29 -1.39 0.00 0.12 -4.26 105.19 103.53 3b8i n GLY 92 Ca 0.17 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 3b8i n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3b8i n TYR 93 N -2.95 -0.46 0.00 1.61 4.01 -1.26 -2.72 117.16 115.39 3b8i n TYR 93 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3b8i n TYR 93 Cb 0.23 -2.77 0.00 0.00 -0.31 0.00 0.00 39.34 36.49 3b8i n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3b8i n GLY 94 N -1.10 -0.10 0.00 2.72 0.00 -1.26 -4.88 105.19 100.57 3b8i n GLY 94 Ca -0.15 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3b8i n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3b8i n ASN 95 N 0.00 -0.28 0.23 1.61 0.23 -1.26 -4.68 115.26 111.10 3b8i n ASN 95 Ca 0.00 -0.77 0.07 0.00 -0.53 0.00 0.00 54.58 53.35 3b8i n ASN 95 Cb 0.00 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.30 3b8i n ASN 95 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3b8i h ALA 96 N -2.00 1.94 -0.06 -2.53 0.00 -1.93 -0.56 119.26 114.12 3b8i h ALA 96 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3b8i h ALA 96 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3b8i h ALA 96 CO 0.00 0.05 -0.88 -0.07 0.00 0.00 0.00 179.25 178.35 3b8i h LEU 97 N 0.06 0.76 -1.04 0.00 3.38 -1.95 -2.67 115.31 113.86 3b8i h LEU 97 Ca 0.02 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 3b8i h LEU 97 Cb 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3b8i h LEU 97 CO -0.00 1.34 0.57 0.78 0.09 0.00 0.00 178.44 181.22 3b8i h ASN 98 N 0.38 1.08 -0.77 -0.43 4.21 -1.68 -2.88 115.58 115.49 3b8i h ASN 98 Ca -0.08 -0.05 0.15 0.00 1.21 0.00 0.00 56.30 57.53 3b8i h ASN 98 Cb 1.51 -0.27 -0.10 0.00 -1.12 0.00 0.00 38.32 38.34 3b8i h ASN 98 CO 0.17 0.81 0.29 0.58 -1.29 0.00 0.00 177.43 177.99 3b8i h VAL 99 N 1.25 0.62 -0.77 2.81 2.07 -0.92 -1.05 116.25 120.26 3b8i h VAL 99 Ca 0.33 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3b8i h VAL 99 Cb -0.08 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 3b8i h VAL 99 CO -0.07 0.08 0.38 0.24 0.02 0.00 0.00 177.57 178.22 3b8i h MET 100 N 0.42 1.09 -0.63 1.57 2.86 -1.25 -1.69 114.93 117.29 3b8i h MET 100 Ca 0.43 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.86 3b8i h MET 100 Cb 0.69 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 3b8i h MET 100 CO -0.43 0.83 0.13 0.00 1.06 0.00 0.00 176.91 178.49 3b8i h ARG 101 N 1.08 1.02 -0.51 1.72 3.08 -1.27 -1.99 114.38 117.52 3b8i h ARG 101 Ca 0.27 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3b8i h ARG 101 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3b8i h ARG 101 CO -0.04 0.94 0.09 1.79 -1.07 0.00 0.00 179.97 181.69 3b8i h THR 102 N 0.94 1.22 0.20 2.04 1.35 -0.66 0.27 112.91 118.26 3b8i h THR 102 Ca 0.19 -0.84 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 3b8i h THR 102 Cb 0.39 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3b8i h THR 102 CO 0.01 0.31 -0.10 0.58 -0.25 0.00 0.00 175.52 176.07 3b8i h VAL 103 N 0.75 0.89 0.03 6.82 2.07 -1.20 -1.17 116.25 124.45 3b8i h VAL 103 Ca 0.16 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.13 3b8i h VAL 103 Cb 0.32 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3b8i h VAL 103 CO 0.00 0.13 -0.41 0.58 0.02 0.00 0.00 177.57 177.89 3b8i h VAL 104 N -0.56 0.16 -0.68 2.57 2.07 -1.09 0.19 116.25 118.92 3b8i h VAL 104 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 3b8i h VAL 104 Cb 0.42 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 3b8i h VAL 104 CO 0.04 0.00 0.13 -0.33 0.02 0.00 0.00 177.57 177.44 3b8i h GLU 105 N -0.59 0.24 0.01 1.57 4.39 -0.98 -1.96 114.58 117.25 3b8i h GLU 105 Ca 0.04 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.50 3b8i h GLU 105 Cb 0.65 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 3b8i h GLU 105 CO -0.30 0.16 -1.10 -0.07 -1.16 0.00 0.00 179.01 176.55 3b8i h LEU 106 N 0.25 0.03 -0.23 1.33 3.38 -0.85 -2.25 115.31 116.97 3b8i h LEU 106 Ca 0.37 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 3b8i h LEU 106 Cb 0.60 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3b8i h LEU 106 CO -0.48 1.03 -0.08 -0.08 0.09 0.00 0.00 178.44 178.92 3b8i h GLU 107 N 0.01 0.45 -0.46 1.13 4.81 -0.56 -2.35 114.58 117.61 3b8i h GLU 107 Ca -0.05 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3b8i h GLU 107 Cb 1.81 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.15 3b8i h GLU 107 CO 0.13 0.71 0.27 -0.09 -0.73 0.00 0.00 179.01 179.30 3b8i h ARG 108 N 0.18 0.63 -0.39 1.92 2.43 -1.36 -2.32 114.38 115.47 3b8i h ARG 108 Ca 0.05 -0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 3b8i h ARG 108 Cb 0.56 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3b8i h ARG 108 CO 0.03 0.47 0.35 0.00 -1.51 0.00 0.00 179.97 179.31 3b8i h ALA 109 N 1.12 2.18 0.00 2.80 0.00 -1.36 -3.45 119.26 120.55 3b8i h ALA 109 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3b8i h ALA 109 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3b8i h ALA 109 CO -0.03 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.08 3b8i n GLY 110 N -1.53 1.58 3.76 0.00 0.00 -0.87 -4.24 105.19 103.88 3b8i n GLY 110 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3b8i n GLY 110 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3b8i s ILE 111 N -2.00 2.48 -0.02 -0.61 1.10 -0.98 -4.81 121.20 116.36 3b8i s ILE 111 Ca 0.00 0.35 0.11 0.00 -0.51 0.00 0.00 60.65 60.59 3b8i s ILE 111 Cb 0.00 -3.17 -0.23 0.00 0.15 0.00 0.00 42.46 39.21 3b8i s ILE 111 CO 0.00 -0.02 0.76 0.00 -2.11 0.00 0.00 174.94 173.57 3b8i h ALA 112 N 1.46 0.68 -2.52 1.50 0.00 -1.49 -3.44 119.26 115.45 3b8i h ALA 112 Ca -0.50 -1.37 -0.06 0.00 0.00 0.00 0.00 54.91 52.97 3b8i h ALA 112 Cb 1.29 0.39 -0.16 0.00 0.00 0.00 0.00 17.79 19.30 3b8i h ALA 112 CO 0.57 1.52 -0.00 0.00 0.00 0.00 0.00 179.25 181.34 3b8i s ALA 113 N -2.62 -1.23 0.04 0.00 0.00 -1.21 -2.60 121.76 114.15 3b8i s ALA 113 Ca -0.04 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 3b8i s ALA 113 Cb 0.08 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 3b8i s ALA 113 CO 0.82 -0.50 0.02 -0.48 0.00 0.00 0.00 175.76 175.63 3b8i s LEU 114 N -2.01 2.15 -0.07 0.00 0.05 -0.67 -1.31 118.68 116.82 3b8i s LEU 114 Ca -0.05 -0.71 0.03 0.00 0.05 0.00 0.00 54.13 53.46 3b8i s LEU 114 Cb -0.01 0.35 -0.02 0.00 -2.05 0.00 0.00 46.19 44.46 3b8i s LEU 114 CO -0.02 -0.50 -0.15 0.42 -0.55 0.00 0.00 176.35 175.54 3b8i s THR 115 N -2.88 2.95 -0.20 5.48 -4.23 -0.75 -0.95 115.64 115.06 3b8i s THR 115 Ca -0.03 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 3b8i s THR 115 Cb 0.00 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.68 3b8i s THR 115 CO -0.06 0.57 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.84 3b8i s ILE 116 N -0.43 2.71 0.24 2.99 -1.09 0.07 -2.34 121.20 123.35 3b8i s ILE 116 Ca 0.05 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 3b8i s ILE 116 Cb -0.12 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 3b8i s ILE 116 CO 0.02 0.48 0.42 -1.83 -1.23 0.00 0.00 174.94 172.81 3b8i s GLU 117 N 1.35 3.50 -0.08 2.79 -1.05 -0.39 -0.33 118.70 124.50 3b8i s GLU 117 Ca 0.05 -0.40 0.16 0.00 -0.15 0.00 0.00 54.97 54.63 3b8i s GLU 117 Cb -0.14 -2.81 0.59 0.00 -0.44 0.00 0.00 34.13 31.34 3b8i s GLU 117 CO -0.08 0.35 1.48 -0.40 0.95 0.00 0.00 175.26 177.56 3b8i n ASP 118 N -1.02 3.90 -4.77 0.83 5.68 -0.85 -4.35 116.55 115.98 3b8i n ASP 118 Ca -0.05 -2.30 -0.41 0.00 -0.50 0.00 0.00 54.79 51.53 3b8i n ASP 118 Cb 0.55 -0.50 -0.01 0.00 -1.14 0.00 0.00 41.12 40.01 3b8i n ASP 118 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3b8i s THR 119 N -1.68 2.27 -0.62 2.12 2.01 -1.26 -0.43 115.64 118.06 3b8i s THR 119 Ca 0.42 0.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.41 3b8i s THR 119 Cb 0.26 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.64 3b8i s THR 119 CO 0.22 0.05 1.20 -0.22 -0.69 0.00 0.00 174.62 175.18 3b8i s LEU 120 N -1.44 3.43 0.10 4.42 0.20 -0.95 -4.73 118.68 119.70 3b8i s LEU 120 Ca 0.55 -0.06 0.09 0.00 0.69 0.00 0.00 54.13 55.40 3b8i s LEU 120 Cb -0.45 -3.00 -0.03 0.00 -0.43 0.00 0.00 46.19 42.28 3b8i s LEU 120 CO 0.55 -1.55 -0.22 -0.76 -0.29 0.00 0.00 176.35 174.08 3b8i s LEU 121 N 5.06 2.28 1.00 -0.68 1.43 -1.26 -4.40 118.68 122.11 3b8i s LEU 121 Ca 0.40 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 3b8i s LEU 121 Cb -0.08 -0.96 0.22 0.00 0.03 0.00 0.00 46.19 45.40 3b8i s LEU 121 CO 0.23 0.10 1.31 -2.16 0.23 0.00 0.00 176.35 176.05 3b8i s PRO 122 N -1.82 0.36 -0.10 1.29 0.04 -1.26 -4.86 135.00 128.64 3b8i s PRO 122 Ca 0.08 -0.41 -0.39 0.00 0.04 0.00 0.00 61.00 60.32 3b8i s PRO 122 Cb -0.10 -1.81 -0.17 0.00 0.04 0.00 0.00 34.50 32.46 3b8i s PRO 122 CO 0.04 -2.61 1.49 0.00 0.04 0.00 0.00 177.00 175.97 3b8i n ALA 123 N -3.90 -0.93 -2.01 8.56 0.00 -1.26 -4.92 120.51 116.04 3b8i n ALA 123 Ca 0.15 0.47 -0.33 0.00 0.00 0.00 0.00 53.44 53.74 3b8i n ALA 123 Cb 0.59 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 3b8i n ALA 123 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3b8i s GLN 124 N 1.79 4.11 0.00 0.00 -0.21 -1.26 -5.06 119.66 119.02 3b8i s GLN 124 Ca 0.92 0.86 -0.00 0.00 0.02 0.00 0.00 55.36 57.15 3b8i s GLN 124 Cb -1.06 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 30.56 3b8i s GLN 124 CO 0.57 0.10 0.55 0.34 -2.12 0.00 0.00 175.29 174.74 3b8i n PHE 125 N -0.39 0.00 -4.57 0.91 7.35 -1.26 -4.62 117.46 114.88 3b8i n PHE 125 Ca 0.04 -0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 3b8i n PHE 125 Cb 0.53 -0.42 0.00 0.00 0.35 0.00 0.00 39.48 39.94 3b8i n PHE 125 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3b8i n ARG 127 N 2.57 0.00 -4.21 -4.13 1.74 -1.26 -5.08 116.66 106.29 3b8i n ARG 127 Ca 0.02 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.98 3b8i n ARG 127 Cb 0.07 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.41 3b8i n ARG 127 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3b8i s SER 129 N -4.00 1.21 0.00 0.55 1.04 -1.26 -5.04 113.70 106.19 3b8i s SER 129 Ca 0.00 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.33 3b8i s SER 129 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3b8i s SER 129 CO 0.00 -0.52 0.15 1.07 0.98 0.00 0.00 173.24 174.92 3b8i n THR 130 N -0.16 0.00 -1.97 2.02 5.66 -1.26 -4.82 114.28 113.75 3b8i n THR 130 Ca -0.09 -0.15 -0.29 0.00 -3.05 0.00 0.00 64.05 60.47 3b8i n THR 130 Cb 0.62 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 69.54 3b8i n THR 130 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3b8i s ASP 131 N 1.42 3.74 0.02 1.09 1.01 -1.26 -4.97 116.67 117.73 3b8i s ASP 131 Ca 0.00 0.41 0.08 0.00 0.71 0.00 0.00 52.55 53.76 3b8i s ASP 131 Cb 0.00 -0.66 -0.02 0.00 1.01 0.00 0.00 42.92 43.25 3b8i s ASP 131 CO 0.00 -2.35 -0.24 -0.76 0.21 0.00 0.00 175.17 172.03 3b8i s LEU 132 N -5.71 2.13 0.67 1.23 1.02 -1.26 -2.24 118.68 114.51 3b8i s LEU 132 Ca 0.69 -0.52 -0.14 0.00 0.02 0.00 0.00 54.13 54.18 3b8i s LEU 132 Cb -0.07 -1.20 0.00 0.00 0.02 0.00 0.00 46.19 44.95 3b8i s LEU 132 CO 0.51 0.25 1.09 0.27 0.02 0.00 0.00 176.35 178.48 3b8i s ILE 133 N -0.72 3.51 0.83 -0.59 -4.36 0.43 -4.77 121.20 115.53 3b8i s ILE 133 Ca 0.10 0.63 -0.13 0.00 -0.26 0.00 0.00 60.65 60.99 3b8i s ILE 133 Cb -0.09 -3.18 0.07 0.00 1.25 0.00 0.00 42.46 40.51 3b8i s ILE 133 CO 0.01 -0.51 1.06 0.00 0.24 0.00 0.00 174.94 175.74 3b8i h VAL 135 N -1.03 1.17 0.01 0.00 3.04 -1.99 -2.14 116.25 115.30 3b8i h VAL 135 Ca -0.46 -0.64 -0.00 0.00 -1.01 0.00 0.00 66.70 64.60 3b8i h VAL 135 Cb 1.30 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3b8i h VAL 135 CO 0.44 0.22 -0.00 -0.33 -1.01 0.00 0.00 177.57 176.89 3b8i h GLU 136 N 0.45 -0.01 -0.68 4.17 3.07 -1.99 -0.31 114.58 119.28 3b8i h GLU 136 Ca 0.10 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.03 3b8i h GLU 136 Cb 0.24 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.10 3b8i h GLU 136 CO 0.00 0.20 0.37 1.49 -1.40 0.00 0.00 179.01 179.67 3b8i h GLU 137 N -0.22 0.64 -0.72 2.33 4.81 -1.88 -1.91 114.58 117.63 3b8i h GLU 137 Ca -0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3b8i h GLU 137 Cb 0.22 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3b8i h GLU 137 CO 0.00 0.42 0.34 0.78 -0.73 0.00 0.00 179.01 179.83 3b8i h GLY 138 N 0.66 1.11 0.92 1.92 0.00 -1.21 -0.92 103.07 105.56 3b8i h GLY 138 Ca 0.31 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.10 3b8i h GLY 138 CO -0.21 0.53 0.33 -2.08 0.00 0.00 0.00 176.54 175.11 3b8i h VAL 139 N 1.01 1.08 0.00 4.60 2.07 -0.79 -1.79 116.25 122.43 3b8i h VAL 139 Ca 0.25 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 3b8i h VAL 139 Cb 0.13 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3b8i h VAL 139 CO -0.03 0.12 -0.38 1.23 0.02 0.00 0.00 177.57 178.53 3b8i h GLY 140 N 0.66 0.00 1.59 2.17 0.00 -0.85 -0.50 103.07 106.14 3b8i h GLY 140 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.39 3b8i h GLY 140 CO -0.08 0.00 -0.52 0.50 0.00 0.00 0.00 176.54 176.44 3b8i h LYS 141 N 0.00 0.43 -0.11 4.80 1.57 -0.89 -2.05 116.57 120.33 3b8i h LYS 141 Ca -0.00 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.37 3b8i h LYS 141 Cb 0.72 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.06 3b8i h LYS 141 CO 0.05 0.85 -0.51 0.82 -0.57 0.00 0.00 179.45 180.09 3b8i h ILE 142 N 0.34 1.36 -0.75 1.86 1.08 -0.79 -0.28 117.51 120.33 3b8i h ILE 142 Ca 0.01 -1.82 -0.04 0.00 -0.39 0.00 0.00 64.86 62.62 3b8i h ILE 142 Cb 1.03 2.17 -0.03 0.00 -3.07 0.00 0.00 36.82 36.92 3b8i h ILE 142 CO 0.09 0.55 0.32 0.03 -0.69 0.00 0.00 178.15 178.45 3b8i h ARG 143 N 0.14 1.11 -0.32 2.37 3.08 -1.16 -1.23 114.38 118.38 3b8i h ARG 143 Ca -0.03 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 3b8i h ARG 143 Cb 1.15 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3b8i h ARG 143 CO 0.11 0.89 0.19 0.00 -1.07 0.00 0.00 179.97 180.09 3b8i h ALA 144 N 1.16 0.40 -0.70 0.04 0.00 -1.31 -1.85 119.26 117.00 3b8i h ALA 144 Ca 0.25 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3b8i h ALA 144 Cb 0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3b8i h ALA 144 CO -0.02 -0.11 0.34 0.00 0.00 0.00 0.00 179.25 179.46 3b8i h ALA 145 N 1.08 0.97 -0.16 0.00 0.00 -0.87 -1.19 119.26 119.09 3b8i h ALA 145 Ca 0.11 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3b8i h ALA 145 Cb -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3b8i h ALA 145 CO -0.02 -0.06 -0.47 -0.07 0.00 0.00 0.00 179.25 178.63 3b8i h LEU 146 N 0.59 0.44 -0.03 0.00 3.38 -0.91 -2.60 115.31 116.17 3b8i h LEU 146 Ca 0.35 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3b8i h LEU 146 Cb 0.37 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3b8i h LEU 146 CO -0.27 0.84 0.02 -0.08 0.09 0.00 0.00 178.44 179.03 3b8i h GLU 147 N 0.33 0.04 0.00 1.13 4.57 -1.20 -3.21 114.58 116.24 3b8i h GLU 147 Ca 0.02 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3b8i h GLU 147 Cb 0.95 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 3b8i h GLU 147 CO 0.08 0.11 -0.01 0.00 -1.18 0.00 0.00 179.01 178.01 3b8i h ALA 148 N 0.93 1.69 -2.64 2.92 0.00 -1.03 -3.43 119.26 117.70 3b8i h ALA 148 Ca 0.01 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3b8i h ALA 148 Cb 0.08 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.96 3b8i h ALA 148 CO -0.00 0.02 0.78 -2.13 0.00 0.00 0.00 179.25 177.91 3b8i n ARG 149 N -4.10 2.48 -0.06 0.00 0.63 -1.00 -4.60 116.66 110.00 3b8i n ARG 149 Ca -0.03 0.88 -0.12 0.00 -0.92 0.00 0.00 57.85 57.66 3b8i n ARG 149 Cb 0.10 -2.61 -0.04 0.00 0.45 0.00 0.00 32.46 30.36 3b8i n ARG 149 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3b8i n VAL 150 N 1.85 1.27 -2.50 5.15 0.31 -1.26 -4.92 118.33 118.23 3b8i n VAL 150 Ca 0.09 0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 64.02 3b8i n VAL 150 Cb 0.35 -1.97 -0.02 0.00 -0.91 0.00 0.00 33.84 31.29 3b8i n VAL 150 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3b8i s ASP 151 N -6.23 6.79 0.56 4.52 -1.08 -1.26 -4.89 116.67 115.08 3b8i s ASP 151 Ca -0.22 1.20 0.35 0.00 -0.52 0.00 0.00 52.55 53.36 3b8i s ASP 151 Cb 0.06 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.47 3b8i s ASP 151 CO 0.31 -0.98 2.03 1.55 0.52 0.00 0.00 175.17 178.60 3b8i h PRO 152 N 8.75 0.00 0.00 4.34 0.13 -2.01 -1.89 132.00 141.33 3b8i h PRO 152 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3b8i h PRO 152 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3b8i h PRO 152 CO 1.03 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.81 3b8i n ALA 153 N -2.10 1.49 -2.09 -0.56 0.00 -1.26 -4.73 120.51 111.26 3b8i n ALA 153 Ca -0.00 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 3b8i n ALA 153 Cb 0.28 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 3b8i n ALA 153 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3b8i s LEU 154 N -4.25 4.36 -0.25 0.00 2.96 -0.71 -4.69 118.68 116.09 3b8i s LEU 154 Ca 0.03 2.38 -0.17 0.00 -0.22 0.00 0.00 54.13 56.14 3b8i s LEU 154 Cb 0.08 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 3b8i s LEU 154 CO 0.31 -0.74 0.46 -0.89 -1.32 0.00 0.00 176.35 174.18 3b8i s THR 155 N 1.64 5.11 -0.33 3.68 2.01 -1.07 -5.02 115.64 121.66 3b8i s THR 155 Ca 0.67 0.78 -0.11 0.00 0.31 0.00 0.00 61.69 63.35 3b8i s THR 155 Cb -0.38 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 3b8i s THR 155 CO 0.30 0.13 0.19 -0.63 -0.69 0.00 0.00 174.62 173.92 3b8i s ILE 156 N 2.08 4.82 -0.13 1.82 -1.09 -1.26 -1.67 121.20 125.78 3b8i s ILE 156 Ca 0.19 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.19 3b8i s ILE 156 Cb -0.16 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 3b8i s ILE 156 CO 0.09 -0.00 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.05 3b8i s ILE 157 N 1.64 3.13 -0.23 2.92 1.01 -0.13 -0.24 121.20 129.31 3b8i s ILE 157 Ca 0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 3b8i s ILE 157 Cb -0.17 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3b8i s ILE 157 CO 0.08 0.53 0.27 0.00 0.00 0.00 0.00 174.94 175.82 3b8i s ALA 158 N 0.27 3.58 -0.13 9.38 0.00 -0.66 -0.75 121.76 133.46 3b8i s ALA 158 Ca -0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 3b8i s ALA 158 Cb -0.15 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 3b8i s ALA 158 CO 0.05 -0.27 -0.03 0.50 0.00 0.00 0.00 175.76 176.01 3b8i s ARG 159 N 1.24 3.41 0.17 0.00 3.52 0.55 -0.31 118.95 127.52 3b8i s ARG 159 Ca 0.13 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.25 3b8i s ARG 159 Cb -0.14 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.35 3b8i s ARG 159 CO 0.06 0.40 -0.00 -0.08 -0.81 0.00 0.00 175.30 174.87 3b8i s THR 160 N -0.07 0.68 -0.33 4.11 -1.32 -0.59 -2.00 115.64 116.12 3b8i s THR 160 Ca 0.02 -1.98 -0.14 0.00 -1.21 0.00 0.00 61.69 58.39 3b8i s THR 160 Cb -0.13 -2.08 -0.02 0.00 -1.51 0.00 0.00 72.50 68.76 3b8i s THR 160 CO 0.02 -0.51 0.29 0.21 -2.21 0.00 0.00 174.62 172.42 3b8i s ASN 161 N -3.16 6.11 0.17 8.08 2.47 -1.26 -2.82 114.94 124.53 3b8i s ASN 161 Ca 0.23 -0.29 0.23 0.00 0.42 0.00 0.00 52.86 53.44 3b8i s ASN 161 Cb 0.06 -2.16 0.06 0.00 -1.45 0.00 0.00 41.25 37.75 3b8i s ASN 161 CO 0.03 -0.26 1.08 0.00 -3.72 0.00 0.00 177.10 174.23 3b8i n ALA 162 N 5.22 2.66 -0.27 1.71 0.00 0.69 -4.47 120.51 126.05 3b8i n ALA 162 Ca -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 3b8i n ALA 162 Cb 0.50 -1.10 0.08 0.00 0.00 0.00 0.00 19.45 18.93 3b8i n ALA 162 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3b8i h GLU 163 N 0.00 0.92 0.00 0.00 4.81 -1.65 -3.37 114.58 115.29 3b8i h GLU 163 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3b8i h GLU 163 Cb 0.94 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3b8i h GLU 163 CO 0.00 0.61 0.00 1.28 -0.73 0.00 0.00 179.01 180.17 3b8i n LEU 164 N -4.61 1.18 -4.56 1.64 4.32 -1.26 -4.97 117.00 108.74 3b8i n LEU 164 Ca 0.08 0.19 -0.36 0.00 -0.02 0.00 0.00 56.01 55.90 3b8i n LEU 164 Cb 0.07 -0.24 0.08 0.00 -1.62 0.00 0.00 43.42 41.71 3b8i n LEU 164 CO 0.34 -0.24 0.36 2.30 -1.22 0.00 0.00 177.39 178.92 3b8i n ILE 165 N -1.41 2.53 -2.39 -0.08 -5.35 -1.26 -4.96 119.36 106.44 3b8i n ILE 165 Ca 0.00 -0.40 -0.34 0.00 -0.27 0.00 0.00 62.75 61.75 3b8i n ILE 165 Cb 0.00 -0.96 -0.02 0.00 -1.74 0.00 0.00 39.64 36.91 3b8i n ILE 165 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3b8i s ASP 166 N -1.53 6.18 0.55 7.28 -4.77 -1.26 -4.83 116.67 118.29 3b8i s ASP 166 Ca 0.71 1.89 0.25 0.00 -3.30 0.00 0.00 52.55 52.09 3b8i s ASP 166 Cb -0.36 -2.55 1.49 0.00 -1.09 0.00 0.00 42.92 40.41 3b8i s ASP 166 CO 0.53 -0.89 2.09 1.62 0.70 0.00 0.00 175.17 179.21 3b8i h VAL 167 N 1.21 0.68 0.41 2.11 3.04 -1.93 -1.98 116.25 119.78 3b8i h VAL 167 Ca -0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.20 3b8i h VAL 167 Cb 1.22 0.85 -0.03 0.00 -2.01 0.00 0.00 31.29 31.33 3b8i h VAL 167 CO 0.59 0.00 -0.46 0.44 -1.01 0.00 0.00 177.57 177.13 3b8i h ASP 168 N 0.00 -1.26 -0.98 3.17 3.32 -1.99 -0.00 116.42 118.67 3b8i h ASP 168 Ca 0.11 0.11 0.16 0.00 0.02 0.00 0.00 57.03 57.43 3b8i h ASP 168 Cb 0.51 0.43 -0.09 0.00 0.22 0.00 0.00 39.33 40.39 3b8i h ASP 168 CO -0.00 -0.60 0.61 0.00 -1.72 0.00 0.00 179.24 177.53 3b8i h ALA 169 N -0.61 1.69 -0.49 3.45 0.00 -1.74 0.27 119.26 121.83 3b8i h ALA 169 Ca -0.04 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3b8i h ALA 169 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3b8i h ALA 169 CO -0.09 -0.00 -0.20 0.28 0.00 0.00 0.00 179.25 179.23 3b8i h VAL 170 N 0.80 1.27 -0.72 0.00 2.07 -1.29 0.30 116.25 118.68 3b8i h VAL 170 Ca 0.53 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 3b8i h VAL 170 Cb 0.77 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3b8i h VAL 170 CO -0.30 0.47 0.26 0.40 0.02 0.00 0.00 177.57 178.42 3b8i h ILE 171 N 0.87 1.25 0.53 4.57 2.04 0.04 -1.74 117.51 125.07 3b8i h ILE 171 Ca 0.12 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 3b8i h ILE 171 Cb 0.78 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3b8i h ILE 171 CO 0.06 0.33 -0.25 -0.61 0.00 0.00 0.00 178.15 177.68 3b8i h GLN 172 N 1.06 -0.69 -0.24 2.37 -0.00 -0.03 -2.06 115.11 115.51 3b8i h GLN 172 Ca 0.24 0.05 0.06 0.00 -0.00 0.00 0.00 58.65 58.99 3b8i h GLN 172 Cb 0.25 0.16 -0.08 0.00 0.00 0.00 0.00 27.48 27.81 3b8i h GLN 172 CO -0.01 -0.46 -0.38 0.00 0.00 0.00 0.00 178.83 177.98 3b8i h ARG 173 N -0.72 -0.37 0.00 1.69 3.08 -0.98 -2.60 114.38 114.48 3b8i h ARG 173 Ca -0.07 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3b8i h ARG 173 Cb 0.55 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3b8i h ARG 173 CO 0.12 -0.25 -0.10 1.79 -1.07 0.00 0.00 179.97 180.46 3b8i h THR 174 N -0.39 0.99 -0.31 2.04 1.35 -1.32 -0.21 112.91 115.05 3b8i h THR 174 Ca 0.11 -0.36 -0.14 0.00 -0.55 0.00 0.00 66.41 65.47 3b8i h THR 174 Cb 0.58 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3b8i h THR 174 CO -0.45 0.10 -0.36 -0.07 -0.25 0.00 0.00 175.52 174.49 3b8i h LEU 175 N 0.00 0.85 -0.17 3.87 3.38 -1.18 -2.20 115.31 119.86 3b8i h LEU 175 Ca -0.00 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3b8i h LEU 175 Cb 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3b8i h LEU 175 CO 0.01 1.16 0.08 0.00 0.09 0.00 0.00 178.44 179.78 3b8i h ALA 176 N 0.71 0.23 -0.80 1.53 0.00 -0.77 0.02 119.26 120.18 3b8i h ALA 176 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3b8i h ALA 176 Cb 0.94 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3b8i h ALA 176 CO 0.09 -0.20 0.53 1.88 0.00 0.00 0.00 179.25 181.55 3b8i h TYR 177 N 0.14 1.00 -0.45 0.00 0.05 -1.15 0.33 116.97 116.88 3b8i h TYR 177 Ca 0.06 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 3b8i h TYR 177 Cb 0.15 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 3b8i h TYR 177 CO -0.02 0.63 0.13 0.37 -1.05 0.00 0.00 178.16 178.21 3b8i h GLN 178 N 1.08 0.71 -0.41 4.88 4.15 -1.22 -2.80 115.11 121.49 3b8i h GLN 178 Ca 0.29 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.60 3b8i h GLN 178 Cb -0.12 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.43 3b8i h GLN 178 CO -0.06 0.70 0.16 1.49 -1.93 0.00 0.00 178.83 179.18 3b8i h GLU 179 N 0.59 0.33 0.00 1.69 4.57 0.35 -2.40 114.58 119.71 3b8i h GLU 179 Ca 0.14 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3b8i h GLU 179 Cb 0.29 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3b8i h GLU 179 CO -0.00 0.22 0.00 0.00 -1.18 0.00 0.00 179.01 178.04 3b8i n ALA 180 N -2.35 1.65 0.00 2.92 0.00 0.10 -4.86 120.51 117.97 3b8i n ALA 180 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3b8i n ALA 180 Cb 0.14 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3b8i n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b8i n GLY 181 N -0.38 0.63 3.43 0.00 0.00 -0.90 -4.64 105.19 103.33 3b8i n GLY 181 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 3b8i n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8i n ALA 182 N -1.57 -2.02 0.56 4.61 0.00 -1.08 -4.89 120.51 116.12 3b8i n ALA 182 Ca 0.00 0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.85 3b8i n ALA 182 Cb 0.00 -1.70 0.40 0.00 0.00 0.00 0.00 19.45 18.14 3b8i n ALA 182 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3b8i h ASP 183 N 0.97 0.00 -5.15 0.00 3.32 -0.97 -3.46 116.42 111.13 3b8i h ASP 183 Ca -0.36 0.00 0.24 0.00 0.02 0.00 0.00 57.03 56.93 3b8i h ASP 183 Cb 1.41 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.83 3b8i h ASP 183 CO 0.54 0.00 0.68 -0.83 -1.72 0.00 0.00 179.24 177.91 3b8i s GLY 184 N -3.64 -0.35 -0.07 2.75 0.00 -1.23 -4.13 107.32 100.65 3b8i s GLY 184 Ca 0.09 0.78 0.05 0.00 0.00 0.00 0.00 44.72 45.65 3b8i s GLY 184 CO 0.58 0.21 -0.25 -0.42 0.00 0.00 0.00 173.10 173.22 3b8i s ILE 185 N -2.77 2.06 -0.19 0.90 -1.09 -0.12 -1.65 121.20 118.34 3b8i s ILE 185 Ca 0.11 -1.05 -0.05 0.00 -2.23 0.00 0.00 60.65 57.44 3b8i s ILE 185 Cb 0.01 -1.76 -0.02 0.00 -1.58 0.00 0.00 42.46 39.11 3b8i s ILE 185 CO -0.03 0.57 -0.01 0.00 -1.23 0.00 0.00 174.94 174.23 3b8i s LEU 187 N 0.86 2.19 0.06 0.00 1.43 0.87 -1.55 118.68 122.53 3b8i s LEU 187 Ca 0.00 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 3b8i s LEU 187 Cb -0.14 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3b8i s LEU 187 CO 0.02 0.07 -0.06 0.54 0.23 0.00 0.00 176.35 177.16 3b8i s VAL 188 N 0.86 3.69 0.00 -1.59 0.11 -1.13 -0.95 120.40 121.39 3b8i s VAL 188 Ca -0.06 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 3b8i s VAL 188 Cb -0.15 -2.68 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 3b8i s VAL 188 CO -0.03 0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 3b8i n GLY 189 N 1.03 0.72 3.69 6.54 0.00 -1.26 -0.22 105.19 115.69 3b8i n GLY 189 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3b8i n GLY 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8i s VAL 190 N -2.08 3.68 0.01 1.61 1.01 -1.26 -3.14 120.40 120.22 3b8i s VAL 190 Ca 0.00 1.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.82 3b8i s VAL 190 Cb 0.00 -3.70 -0.17 0.00 0.00 0.00 0.00 36.38 32.51 3b8i s VAL 190 CO 0.00 0.01 1.25 0.03 0.00 0.00 0.00 175.10 176.39 3b8i h ARG 191 N 7.69 -0.33 -3.04 2.72 3.08 -1.94 -3.49 114.38 119.08 3b8i h ARG 191 Ca -0.38 0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.72 3b8i h ARG 191 Cb 1.18 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 3b8i h ARG 191 CO 0.90 0.00 0.23 0.16 -1.07 0.00 0.00 179.97 180.19 3b8i s ASP 192 N -5.17 -0.14 0.61 7.04 1.47 -1.26 -4.72 116.67 114.50 3b8i s ASP 192 Ca -0.14 -0.83 0.30 0.00 1.18 0.00 0.00 52.55 53.06 3b8i s ASP 192 Cb 0.02 0.77 1.68 0.00 -0.34 0.00 0.00 42.92 45.05 3b8i s ASP 192 CO 0.56 -1.47 2.05 -0.26 0.68 0.00 0.00 175.17 176.73 3b8i h PHE 193 N 2.01 0.00 -0.13 2.11 0.04 -1.96 -0.80 116.94 118.22 3b8i h PHE 193 Ca -0.24 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.48 3b8i h PHE 193 Cb 1.25 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.40 3b8i h PHE 193 CO 0.78 0.00 -0.12 0.00 -0.60 0.00 0.00 178.31 178.37 3b8i h ALA 194 N 1.64 0.19 -0.37 2.45 0.00 -1.96 -2.64 119.26 118.57 3b8i h ALA 194 Ca 0.09 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3b8i h ALA 194 Cb 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3b8i h ALA 194 CO -0.00 0.05 -0.18 1.25 0.00 0.00 0.00 179.25 180.37 3b8i h HIS 195 N -0.07 0.88 0.33 0.00 -0.00 -1.60 -2.76 115.15 111.94 3b8i h HIS 195 Ca 0.02 -0.22 -0.00 0.00 -0.00 0.00 0.00 60.37 60.17 3b8i h HIS 195 Cb 0.65 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.82 3b8i h HIS 195 CO 0.08 0.96 -0.51 1.25 -0.00 0.00 0.00 177.93 179.71 3b8i h LEU 196 N 0.56 -1.46 -0.98 0.26 5.85 -1.38 -3.05 115.31 115.11 3b8i h LEU 196 Ca 0.08 0.13 0.34 0.00 0.84 0.00 0.00 57.88 59.27 3b8i h LEU 196 Cb 0.72 0.51 -0.18 0.00 0.37 0.00 0.00 40.66 42.08 3b8i h LEU 196 CO 0.05 -0.61 0.26 1.21 -0.34 0.00 0.00 178.44 179.01 3b8i n GLU 197 N -5.45 -0.07 0.29 1.25 2.13 -0.99 -0.28 120.64 117.52 3b8i n GLU 197 Ca -0.10 1.42 -0.16 0.00 0.66 0.00 0.00 57.16 58.98 3b8i n GLU 197 Cb 0.43 -2.39 -0.08 0.00 0.27 0.00 0.00 31.44 29.67 3b8i n GLU 197 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3b8i h ALA 198 N 1.97 -0.73 -0.46 4.31 0.00 -1.39 -2.77 119.26 120.20 3b8i h ALA 198 Ca 0.71 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.39 3b8i h ALA 198 Cb 1.69 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 3b8i h ALA 198 CO -0.85 -0.84 0.13 0.82 0.00 0.00 0.00 179.25 178.52 3b8i h ILE 199 N -0.88 1.19 0.00 0.00 2.04 -1.10 -2.62 117.51 116.14 3b8i h ILE 199 Ca -0.07 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3b8i h ILE 199 Cb 0.61 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3b8i h ILE 199 CO 0.12 0.25 -0.04 0.00 0.00 0.00 0.00 178.15 178.48 3b8i h ALA 200 N 1.49 1.03 -0.03 1.87 0.00 -0.63 -3.38 119.26 119.61 3b8i h ALA 200 Ca 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3b8i h ALA 200 Cb 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3b8i h ALA 200 CO -0.01 0.05 0.02 1.49 0.00 0.00 0.00 179.25 180.80 3b8i h GLU 201 N 0.00 0.04 -0.84 0.00 4.57 -1.16 -2.95 114.58 114.23 3b8i h GLU 201 Ca -0.00 -0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.97 3b8i h GLU 201 Cb 0.45 -0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 28.91 3b8i h GLU 201 CO 0.01 0.08 0.26 0.72 -1.18 0.00 0.00 179.01 178.90 3b8i n HIS 202 N -5.04 2.04 -5.23 0.92 8.25 -1.26 -4.90 115.22 109.99 3b8i n HIS 202 Ca -0.07 -1.07 -0.31 0.00 -0.26 0.00 0.00 57.72 56.01 3b8i n HIS 202 Cb 0.06 -0.62 -0.17 0.00 1.12 0.00 0.00 29.99 30.38 3b8i n HIS 202 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b8i s LEU 203 N -2.38 2.07 0.00 2.41 1.02 -1.12 -4.95 118.68 115.73 3b8i s LEU 203 Ca 0.44 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.07 3b8i s LEU 203 Cb 0.35 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 45.19 3b8i s LEU 203 CO 0.11 0.21 0.86 0.00 0.02 0.00 0.00 176.35 177.54 3b8i n HIS 204 N 3.15 0.00 -4.09 0.29 1.44 -1.26 -5.02 115.22 109.72 3b8i n HIS 204 Ca -0.18 -0.36 -0.28 0.00 -2.01 0.00 0.00 57.72 54.89 3b8i n HIS 204 Cb 0.52 -0.04 -0.06 0.00 0.12 0.00 0.00 29.99 30.53 3b8i n HIS 204 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 3b8i s ILE 205 N -0.72 4.33 0.54 0.61 -4.36 -1.26 -5.09 121.20 115.26 3b8i s ILE 205 Ca 0.00 -1.02 -0.20 0.00 -0.26 0.00 0.00 60.65 59.18 3b8i s ILE 205 Cb 0.00 -3.14 -0.07 0.00 1.25 0.00 0.00 42.46 40.49 3b8i s ILE 205 CO 0.00 -0.00 0.85 -2.65 0.24 0.00 0.00 174.94 173.38 3b8i n PRO 206 N 0.07 0.90 -4.33 0.37 -0.02 -1.26 -4.69 135.00 126.04 3b8i n PRO 206 Ca -0.09 0.34 -0.29 0.00 -2.02 0.00 0.00 63.50 61.44 3b8i n PRO 206 Cb 0.53 -2.00 -0.12 0.00 -0.02 0.00 0.00 33.50 31.89 3b8i n PRO 206 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3b8i s LEU 207 N -0.87 2.60 -0.04 2.45 1.43 -0.38 -0.95 118.68 122.93 3b8i s LEU 207 Ca 0.71 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3b8i s LEU 207 Cb -0.46 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3b8i s LEU 207 CO 0.52 0.17 -0.06 -0.32 0.23 0.00 0.00 176.35 176.89 3b8i s MET 208 N -2.17 0.88 -0.14 1.70 -2.45 0.87 -1.18 119.30 116.82 3b8i s MET 208 Ca 0.17 -0.18 0.01 0.00 -1.25 0.00 0.00 55.69 54.44 3b8i s MET 208 Cb -0.10 -0.85 0.00 0.00 1.25 0.00 0.00 34.83 35.13 3b8i s MET 208 CO 0.09 -0.00 -0.18 -0.51 1.05 0.00 0.00 175.02 175.46 3b8i s LEU 209 N 0.61 2.32 -0.71 4.11 1.02 -0.55 -0.09 118.68 125.39 3b8i s LEU 209 Ca -0.09 -0.52 -0.16 0.00 0.02 0.00 0.00 54.13 53.39 3b8i s LEU 209 Cb -0.12 -1.51 0.17 0.00 0.02 0.00 0.00 46.19 44.75 3b8i s LEU 209 CO 0.01 0.10 0.69 -0.69 0.02 0.00 0.00 176.35 176.47 3b8i s VAL 210 N 0.74 5.32 -0.05 -1.59 1.01 -0.13 -0.44 120.40 125.27 3b8i s VAL 210 Ca -0.08 -1.89 0.04 0.00 0.00 0.00 0.00 61.98 60.05 3b8i s VAL 210 Cb -0.16 -4.45 -0.25 0.00 0.00 0.00 0.00 36.38 31.53 3b8i s VAL 210 CO 0.01 -1.02 0.65 0.71 0.00 0.00 0.00 175.10 175.45 3b8i h THR 211 N 5.38 0.89 -4.73 3.92 1.35 -1.76 -3.37 112.91 114.59 3b8i h THR 211 Ca -0.08 -2.66 -0.27 0.00 -0.55 0.00 0.00 66.41 62.85 3b8i h THR 211 Cb 1.07 2.54 0.12 0.00 -1.73 0.00 0.00 68.15 70.14 3b8i h THR 211 CO 0.92 0.69 -0.56 -1.22 -0.25 0.00 0.00 175.52 175.11 3b8i n TYR 212 N -3.27 -1.86 -2.08 4.73 4.01 -1.21 -2.76 117.16 114.72 3b8i n TYR 212 Ca -0.20 0.74 -0.19 0.00 -0.16 0.00 0.00 57.90 58.09 3b8i n TYR 212 Cb 1.04 -4.24 -0.04 0.00 -0.31 0.00 0.00 39.34 35.80 3b8i n TYR 212 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3b8i n GLY 213 N -1.31 0.38 3.58 2.72 0.00 -1.14 -4.92 105.19 104.50 3b8i n GLY 213 Ca -0.13 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.32 3b8i n GLY 213 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3b8i n ASN 214 N -1.65 2.11 0.19 1.61 2.85 -1.11 -4.86 115.26 114.39 3b8i n ASN 214 Ca -0.21 0.85 0.04 0.00 -0.11 0.00 0.00 54.58 55.14 3b8i n ASN 214 Cb 0.65 -1.14 0.38 0.00 1.24 0.00 0.00 39.78 40.91 3b8i n ASN 214 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3b8i h PRO 215 N 8.84 0.00 0.00 1.20 0.13 -1.92 -3.02 132.00 137.23 3b8i h PRO 215 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3b8i h PRO 215 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3b8i h PRO 215 CO 0.99 0.37 0.00 1.04 -0.23 0.00 0.00 178.00 180.17 3b8i n GLN 216 N -3.96 0.87 -2.59 0.86 6.02 -1.26 -3.86 117.38 113.46 3b8i n GLN 216 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 3b8i n GLN 216 Cb 0.42 -1.11 0.03 0.00 1.02 0.00 0.00 30.24 30.60 3b8i n GLN 216 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3b8i n LEU 217 N -0.61 2.54 -1.28 1.08 4.77 -1.14 -3.71 117.00 118.65 3b8i n LEU 217 Ca 0.05 -4.01 0.11 0.00 -0.03 0.00 0.00 56.01 52.13 3b8i n LEU 217 Cb 0.02 0.16 0.30 0.00 -2.33 0.00 0.00 43.42 41.58 3b8i n LEU 217 CO 0.03 1.66 0.76 0.54 -1.33 0.00 0.00 177.39 179.05 3b8i n ARG 218 N -0.33 2.73 -3.34 3.23 1.74 -1.25 -4.85 116.66 114.59 3b8i n ARG 218 Ca 0.19 -2.59 -0.45 0.00 -0.77 0.00 0.00 57.85 54.23 3b8i n ARG 218 Cb 0.79 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 30.63 3b8i n ARG 218 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3b8i s ASP 219 N -1.02 6.17 0.13 0.55 -1.08 -1.26 -4.92 116.67 115.23 3b8i s ASP 219 Ca 0.46 -1.43 -0.13 0.00 -0.52 0.00 0.00 52.55 50.93 3b8i s ASP 219 Cb 0.24 -2.20 -0.04 0.00 -1.46 0.00 0.00 42.92 39.46 3b8i s ASP 219 CO 0.32 -0.75 1.49 0.44 0.52 0.00 0.00 175.17 177.19 3b8i h ASP 220 N 8.83 0.85 -0.43 -0.34 3.32 -1.98 0.85 116.42 127.53 3b8i h ASP 220 Ca -0.29 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.34 3b8i h ASP 220 Cb 1.11 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 3b8i h ASP 220 CO 0.94 1.09 0.28 0.00 -1.72 0.00 0.00 179.24 179.82 3b8i h ALA 221 N 0.79 1.67 0.13 3.45 0.00 -1.96 -1.56 119.26 121.78 3b8i h ALA 221 Ca 0.08 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 3b8i h ALA 221 Cb 0.78 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3b8i h ALA 221 CO 0.06 0.30 -1.50 -0.09 0.00 0.00 0.00 179.25 178.02 3b8i h ARG 222 N 0.59 0.27 -0.33 0.00 2.43 -1.92 -2.63 114.38 112.79 3b8i h ARG 222 Ca 0.16 -0.47 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 3b8i h ARG 222 Cb -0.05 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3b8i h ARG 222 CO -0.03 1.15 0.12 -0.07 -1.51 0.00 0.00 179.97 179.63 3b8i h LEU 223 N 0.07 0.47 0.43 3.80 3.38 -0.68 -2.81 115.31 119.97 3b8i h LEU 223 Ca -0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3b8i h LEU 223 Cb 2.02 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 3b8i h LEU 223 CO 0.17 0.53 -0.50 0.00 0.09 0.00 0.00 178.44 178.73 3b8i h ALA 224 N 0.96 -1.09 -1.02 1.53 0.00 -1.36 -1.85 119.26 116.43 3b8i h ALA 224 Ca 0.11 -0.17 0.39 0.00 0.00 0.00 0.00 54.91 55.24 3b8i h ALA 224 Cb 0.21 0.74 -0.17 0.00 0.00 0.00 0.00 17.79 18.58 3b8i h ALA 224 CO -0.01 -1.16 0.57 0.00 0.00 0.00 0.00 179.25 178.66 3b8i h ARG 225 N -0.95 0.09 0.00 0.00 3.08 -1.49 0.85 114.38 115.97 3b8i h ARG 225 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3b8i h ARG 225 Cb 0.84 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3b8i h ARG 225 CO -0.10 0.06 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 3b8i n LEU 226 N -5.16 0.00 0.00 3.04 4.77 -0.82 -4.92 117.00 113.91 3b8i n LEU 226 Ca 0.36 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3b8i n LEU 226 Cb 1.22 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 3b8i n LEU 226 CO 0.05 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3b8i n GLY 227 N 1.00 0.77 3.75 -0.72 0.00 0.30 -4.93 105.19 105.35 3b8i n GLY 227 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3b8i n GLY 227 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3b8i s VAL 228 N -2.00 4.21 -0.01 1.61 -7.23 -0.76 -1.25 120.40 114.98 3b8i s VAL 228 Ca 0.00 2.05 0.01 0.00 -1.81 0.00 0.00 61.98 62.23 3b8i s VAL 228 Cb 0.00 -4.31 -0.02 0.00 0.56 0.00 0.00 36.38 32.61 3b8i s VAL 228 CO 0.00 0.45 0.02 0.54 -0.31 0.00 0.00 175.10 175.80 3b8i n ARG 229 N 1.86 1.44 -3.88 4.82 3.00 -0.33 -3.84 116.66 119.72 3b8i n ARG 229 Ca -0.01 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.85 57.61 3b8i n ARG 229 Cb 0.48 -1.03 -0.17 0.00 0.00 0.00 0.00 32.46 31.74 3b8i n ARG 229 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3b8i s VAL 230 N -2.07 0.35 -0.12 1.55 1.01 -1.20 0.14 120.40 120.07 3b8i s VAL 230 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3b8i s VAL 230 Cb 0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 3b8i s VAL 230 CO 0.05 0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 174.50 3b8i s VAL 231 N 1.57 2.42 -0.45 2.92 1.01 0.20 -1.48 120.40 126.59 3b8i s VAL 231 Ca -0.01 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 3b8i s VAL 231 Cb -0.13 -1.98 0.11 0.00 0.00 0.00 0.00 36.38 34.38 3b8i s VAL 231 CO -0.03 0.54 0.30 -0.69 0.00 0.00 0.00 175.10 175.22 3b8i s VAL 232 N 0.51 4.10 -0.52 2.92 1.01 0.42 -1.60 120.40 127.24 3b8i s VAL 232 Ca -0.12 -1.70 0.26 0.00 0.00 0.00 0.00 61.98 60.41 3b8i s VAL 232 Cb -0.17 -3.65 0.31 0.00 0.00 0.00 0.00 36.38 32.87 3b8i s VAL 232 CO 0.05 -0.68 1.74 0.78 0.00 0.00 0.00 175.10 176.99 3b8i h ASN 233 N 8.39 0.00 0.00 3.32 4.21 -1.85 -2.75 115.58 126.90 3b8i h ASN 233 Ca -0.21 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.30 3b8i h ASN 233 Cb 1.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 3b8i h ASN 233 CO 0.81 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.56 3b8i n GLY 234 N 0.89 0.66 2.59 2.83 0.00 -1.26 -2.90 105.19 108.00 3b8i n GLY 234 Ca 0.04 -2.03 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 3b8i n GLY 234 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3b8i n HIS 235 N 4.05 1.52 0.06 1.61 8.25 -1.26 -4.57 115.22 124.89 3b8i n HIS 235 Ca 0.00 -2.98 -0.11 0.00 -0.26 0.00 0.00 57.72 54.37 3b8i n HIS 235 Cb 0.00 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 30.77 3b8i n HIS 235 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b8i h ALA 236 N 2.93 0.51 -0.97 -1.41 0.00 -2.00 -2.87 119.26 115.45 3b8i h ALA 236 Ca -0.00 -0.66 0.12 0.00 0.00 0.00 0.00 54.91 54.36 3b8i h ALA 236 Cb 1.10 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 3b8i h ALA 236 CO 0.57 0.81 0.60 0.00 0.00 0.00 0.00 179.25 181.22 3b8i h ALA 237 N 0.88 1.46 -0.40 0.00 0.00 -1.95 0.26 119.26 119.50 3b8i h ALA 237 Ca -0.05 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3b8i h ALA 237 Cb 1.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3b8i h ALA 237 CO 0.14 0.18 0.03 -0.92 0.00 0.00 0.00 179.25 178.68 3b8i h TYR 238 N 0.93 0.74 -0.57 0.00 3.20 -1.87 -3.10 116.97 116.31 3b8i h TYR 238 Ca 0.48 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 62.19 3b8i h TYR 238 Cb 0.50 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 3b8i h TYR 238 CO -0.02 0.74 0.16 0.74 -1.64 0.00 0.00 178.16 178.15 3b8i h PHE 239 N 0.53 0.88 -0.98 -3.82 0.04 -1.19 -2.32 116.94 110.09 3b8i h PHE 239 Ca 0.12 -0.07 0.14 0.00 2.80 0.00 0.00 57.97 60.95 3b8i h PHE 239 Cb 0.42 -0.26 -0.09 0.00 2.20 0.00 0.00 35.95 38.22 3b8i h PHE 239 CO 0.03 0.72 0.60 0.00 -0.60 0.00 0.00 178.31 179.07 3b8i h ALA 240 N 1.34 1.51 -0.42 2.45 0.00 -0.48 -1.65 119.26 122.01 3b8i h ALA 240 Ca 0.19 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3b8i h ALA 240 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3b8i h ALA 240 CO -0.01 0.12 -0.23 0.00 0.00 0.00 0.00 179.25 179.13 3b8i h ALA 241 N 1.56 0.60 0.13 0.00 0.00 -1.35 0.07 119.26 120.27 3b8i h ALA 241 Ca 0.51 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3b8i h ALA 241 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3b8i h ALA 241 CO -0.30 0.59 -0.06 0.82 0.00 0.00 0.00 179.25 180.30 3b8i h ILE 242 N 0.73 1.01 -0.43 0.00 1.08 -1.15 -1.15 117.51 117.60 3b8i h ILE 242 Ca 0.09 -0.56 0.09 0.00 -0.39 0.00 0.00 64.86 64.09 3b8i h ILE 242 Cb 0.81 1.36 -0.08 0.00 -3.07 0.00 0.00 36.82 35.83 3b8i h ILE 242 CO 0.07 0.13 -0.12 0.50 -0.69 0.00 0.00 178.15 178.04 3b8i h LYS 243 N -0.43 -0.01 -0.59 2.37 1.63 -1.31 0.14 116.57 118.36 3b8i h LYS 243 Ca -0.02 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3b8i h LYS 243 Cb 0.35 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 3b8i h LYS 243 CO 0.03 -0.01 0.37 0.00 -3.45 0.00 0.00 179.45 176.39 3b8i h ALA 244 N 1.40 0.75 0.19 5.00 0.00 -0.78 0.89 119.26 126.71 3b8i h ALA 244 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3b8i h ALA 244 Cb 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3b8i h ALA 244 CO -0.45 0.13 -0.09 1.15 0.00 0.00 0.00 179.25 179.99 3b8i h THR 245 N 0.75 0.82 -0.47 0.00 2.02 -0.82 -1.98 112.91 113.23 3b8i h THR 245 Ca 0.23 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 67.44 3b8i h THR 245 Cb -0.03 0.86 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 3b8i h THR 245 CO -0.07 0.01 -0.13 0.22 0.37 0.00 0.00 175.52 175.92 3b8i h TYR 246 N -0.29 -0.28 -0.77 3.16 3.20 -0.30 -2.34 116.97 119.34 3b8i h TYR 246 Ca -0.03 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.92 3b8i h TYR 246 Cb 0.22 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 3b8i h TYR 246 CO -0.06 -0.21 0.49 -0.44 -1.64 0.00 0.00 178.16 176.30 3b8i h ASP 247 N -0.02 0.82 -0.28 -2.11 3.32 -0.71 0.85 116.42 118.29 3b8i h ASP 247 Ca 0.23 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3b8i h ASP 247 Cb 0.36 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3b8i h ASP 247 CO -0.49 0.57 0.01 0.00 -1.72 0.00 0.00 179.24 177.60 3b8i h LEU 249 N 0.28 0.92 -0.65 0.00 3.38 -1.37 -0.14 115.31 117.74 3b8i h LEU 249 Ca 0.08 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3b8i h LEU 249 Cb 0.41 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3b8i h LEU 249 CO 0.01 1.14 0.35 -0.09 0.09 0.00 0.00 178.44 179.94 3b8i h ARG 250 N 0.75 0.91 -0.02 1.13 1.12 -0.73 -0.01 114.38 117.54 3b8i h ARG 250 Ca 0.09 -0.11 -0.00 0.00 -1.11 0.00 0.00 59.98 58.84 3b8i h ARG 250 Cb 0.85 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 30.63 3b8i h ARG 250 CO 0.07 0.70 0.01 0.93 -3.11 0.00 0.00 179.97 178.57 3b8i h GLU 251 N 0.89 0.02 -0.84 0.20 5.08 -1.21 -1.20 114.58 117.51 3b8i h GLU 251 Ca 0.23 -0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.74 3b8i h GLU 251 Cb 0.06 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 3b8i h GLU 251 CO -0.04 0.14 0.55 0.93 -1.00 0.00 0.00 179.01 179.59 3b8i h GLU 252 N -0.09 0.53 0.08 2.33 5.08 -0.81 -2.25 114.58 119.45 3b8i h GLU 252 Ca 0.01 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.08 3b8i h GLU 252 Cb 0.12 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3b8i h GLU 252 CO -0.00 0.35 -1.13 -0.09 -1.00 0.00 0.00 179.01 177.14 3b8i h ARG 253 N 0.55 0.23 0.00 2.33 9.65 -0.67 -3.47 114.38 123.00 3b8i h ARG 253 Ca 0.42 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3b8i h ARG 253 Cb 0.84 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 3b8i h ARG 253 CO -0.17 1.14 0.00 0.41 2.80 0.00 0.00 179.97 184.15 3b8i n GLY 254 N 1.37 0.67 3.70 2.80 0.00 -0.49 -5.06 105.19 108.19 3b8i n GLY 254 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3b8i n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8i s ALA 255 N -2.01 1.15 -0.27 4.61 0.00 -1.02 -5.03 121.76 119.19 3b8i s ALA 255 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 3b8i s ALA 255 Cb 0.00 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 20.05 3b8i s ALA 255 CO 0.00 -2.70 -0.02 0.08 0.00 0.00 0.00 175.76 173.12 3b8i s VAL 256 N -3.02 3.01 0.85 0.00 1.01 -1.26 -4.68 120.40 116.32 3b8i s VAL 256 Ca 0.65 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 3b8i s VAL 256 Cb -0.18 -2.62 0.18 0.00 0.00 0.00 0.00 36.38 33.76 3b8i s VAL 256 CO 0.57 0.06 1.17 0.00 0.00 0.00 0.00 175.10 176.89 3b8i s ALA 257 N 1.31 3.07 1.02 5.51 0.00 -1.26 -5.03 121.76 126.38 3b8i s ALA 257 Ca -0.02 -1.65 -0.14 0.00 0.00 0.00 0.00 51.96 50.15 3b8i s ALA 257 Cb -0.18 -2.27 0.20 0.00 0.00 0.00 0.00 23.12 20.87 3b8i s ALA 257 CO -0.02 -2.02 1.12 -1.12 0.00 0.00 0.00 175.76 173.72 3b8i s SER 258 N -4.87 2.46 -0.32 0.00 0.01 -1.26 -4.96 113.70 104.75 3b8i s SER 258 Ca 0.72 0.93 0.07 0.00 1.31 0.00 0.00 55.95 58.98 3b8i s SER 258 Cb -0.03 -1.44 0.48 0.00 0.21 0.00 0.00 66.02 65.23 3b8i s SER 258 CO 0.49 -3.20 1.42 0.47 0.41 0.00 0.00 173.24 172.83 3b8i n ASP 259 N -4.19 3.58 -4.83 2.44 10.43 -1.26 -5.03 116.55 117.69 3b8i n ASP 259 Ca 0.08 -3.80 -0.35 0.00 2.57 0.00 0.00 54.79 53.28 3b8i n ASP 259 Cb 0.59 -0.58 -0.06 0.00 1.84 0.00 0.00 41.12 42.91 3b8i n ASP 259 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3b8i s LEU 260 N -3.41 4.30 1.00 0.64 2.01 -1.26 -5.09 118.68 116.87 3b8i s LEU 260 Ca 0.48 1.27 -0.12 0.00 0.01 0.00 0.00 54.13 55.77 3b8i s LEU 260 Cb 0.41 -3.54 0.19 0.00 0.01 0.00 0.00 46.19 43.26 3b8i s LEU 260 CO -0.00 0.02 1.08 0.42 1.01 0.00 0.00 176.35 178.88 3b8i s THR 261 N -1.57 2.29 0.34 5.49 -4.23 -1.26 -4.75 115.64 111.96 3b8i s THR 261 Ca 0.43 0.09 0.09 0.00 -1.18 0.00 0.00 61.69 61.12 3b8i s THR 261 Cb -0.15 -2.41 0.33 0.00 1.34 0.00 0.00 72.50 71.60 3b8i s THR 261 CO 0.20 -0.12 1.81 0.00 -0.54 0.00 0.00 174.62 175.97 3b8i h ALA 262 N -1.96 1.83 -0.01 3.99 0.00 -1.98 -0.83 119.26 120.30 3b8i h ALA 262 Ca -0.53 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 3b8i h ALA 262 Cb 1.31 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3b8i h ALA 262 CO 0.53 -0.16 -0.66 0.66 0.00 0.00 0.00 179.25 179.62 3b8i h SER 263 N 0.68 0.59 -0.32 0.00 4.64 -1.91 -2.02 113.55 115.20 3b8i h SER 263 Ca 0.53 -0.75 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 3b8i h SER 263 Cb 0.93 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 3b8i h SER 263 CO -0.29 1.26 0.07 -0.33 -0.87 0.00 0.00 176.83 176.67 3b8i h GLU 264 N -0.02 0.61 0.03 4.77 5.08 -1.87 -0.20 114.58 122.98 3b8i h GLU 264 Ca -0.08 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3b8i h GLU 264 Cb 1.35 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3b8i h GLU 264 CO 0.13 0.58 -0.01 1.25 -1.00 0.00 0.00 179.01 179.95 3b8i h LEU 265 N 0.59 -0.03 -0.07 1.33 5.85 -1.20 -0.82 115.31 120.96 3b8i h LEU 265 Ca 0.13 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3b8i h LEU 265 Cb 0.27 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3b8i h LEU 265 CO 0.00 0.14 -0.04 0.28 -0.34 0.00 0.00 178.44 178.48 3b8i h SER 266 N -0.21 -0.14 -0.79 1.25 0.02 -1.09 -2.04 113.55 110.54 3b8i h SER 266 Ca -0.00 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 3b8i h SER 266 Cb 0.20 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 3b8i h SER 266 CO 0.01 -0.06 0.44 0.50 -1.14 0.00 0.00 176.83 176.58 3b8i h LYS 267 N -0.04 0.73 -0.51 3.45 3.64 -1.05 -2.87 116.57 119.91 3b8i h LYS 267 Ca 0.04 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3b8i h LYS 267 Cb 0.11 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 3b8i h LYS 267 CO -0.10 0.48 0.24 -0.22 -2.27 0.00 0.00 179.45 177.58 3b8i h LYS 268 N 0.75 0.45 -0.02 1.90 3.64 -0.43 -2.36 116.57 120.49 3b8i h LYS 268 Ca 0.38 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3b8i h LYS 268 Cb 0.35 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3b8i h LYS 268 CO -0.25 0.30 0.00 0.66 -2.27 0.00 0.00 179.45 177.89 3b8i n TYR 269 N -4.91 0.03 1.37 1.91 4.01 -0.98 -1.55 117.16 117.03 3b8i n TYR 269 Ca 0.05 -0.01 0.14 0.00 -0.16 0.00 0.00 57.90 57.91 3b8i n TYR 269 Cb 0.16 0.00 0.57 0.00 -0.31 0.00 0.00 39.34 39.75 3b8i n TYR 269 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3b8i n THR 270 N -0.64 0.00 -3.83 -0.72 5.66 -0.89 -4.81 114.28 109.05 3b8i n THR 270 Ca 0.17 -0.07 -0.28 0.00 -3.05 0.00 0.00 64.05 60.82 3b8i n THR 270 Cb 0.13 -0.01 0.01 0.00 -1.55 0.00 0.00 70.33 68.91 3b8i n THR 270 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3b8i n PHE 271 N -0.91 -1.76 0.29 1.09 0.99 -0.60 -4.36 117.46 112.21 3b8i n PHE 271 Ca 0.14 0.62 0.18 0.00 -0.00 0.00 0.00 57.45 58.38 3b8i n PHE 271 Cb 0.29 -3.66 0.83 0.00 -1.00 0.00 0.00 39.48 35.94 3b8i n PHE 271 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3b8i h PRO 272 N -1.89 0.00 -0.00 -1.08 0.13 -1.77 -2.10 132.00 125.29 3b8i h PRO 272 Ca -0.64 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.32 3b8i h PRO 272 Cb 1.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 3b8i h PRO 272 CO 0.56 0.04 -0.79 0.93 -0.23 0.00 0.00 178.00 178.51 3b8i h GLU 273 N 0.00 0.00 0.09 0.86 5.08 -1.95 -0.45 114.58 118.21 3b8i h GLU 273 Ca -0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3b8i h GLU 273 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3b8i h GLU 273 CO 0.00 0.79 -0.04 0.93 -1.00 0.00 0.00 179.01 179.69 3b8i h GLU 274 N 0.00 -0.11 -0.43 2.33 5.08 -1.76 0.59 114.58 120.28 3b8i h GLU 274 Ca -0.01 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3b8i h GLU 274 Cb 1.39 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 3b8i h GLU 274 CO 0.10 -0.01 0.07 1.88 -1.00 0.00 0.00 179.01 180.05 3b8i h TYR 275 N -0.19 0.67 -0.38 4.33 0.05 -1.53 -0.52 116.97 119.41 3b8i h TYR 275 Ca -0.01 -0.06 -0.16 0.00 0.05 0.00 0.00 58.73 58.55 3b8i h TYR 275 Cb 0.15 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 3b8i h TYR 275 CO -0.05 0.60 -0.40 1.96 -1.05 0.00 0.00 178.16 179.23 3b8i h GLN 276 N 0.63 0.93 -0.73 4.88 4.20 -1.00 -2.24 115.11 121.78 3b8i h GLN 276 Ca 0.14 -0.50 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 3b8i h GLN 276 Cb 0.30 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 3b8i h GLN 276 CO 0.00 1.15 0.34 0.00 -0.67 0.00 0.00 178.83 179.66 3b8i h ALA 277 N 0.76 0.94 -0.27 3.87 0.00 -0.55 -1.82 119.26 122.19 3b8i h ALA 277 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3b8i h ALA 277 Cb 1.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3b8i h ALA 277 CO 0.10 0.51 0.03 -1.49 0.00 0.00 0.00 179.25 178.39 3b8i h TRP 278 N 1.02 0.49 -0.34 0.00 6.55 -1.05 -0.90 115.95 121.71 3b8i h TRP 278 Ca 0.25 -0.08 0.05 0.00 0.95 0.00 0.00 58.89 60.07 3b8i h TRP 278 Cb 0.13 -0.13 -0.05 0.00 -0.86 0.00 0.00 29.16 28.25 3b8i h TRP 278 CO 0.01 0.58 0.06 0.00 -1.05 0.00 0.00 178.44 178.04 3b8i h ALA 279 N 0.85 0.36 -0.55 1.49 0.00 -1.34 0.25 119.26 120.31 3b8i h ALA 279 Ca 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3b8i h ALA 279 Cb 0.37 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3b8i h ALA 279 CO 0.01 -0.35 0.28 0.00 0.00 0.00 0.00 179.25 179.19 3b8i h ARG 280 N 0.17 0.78 0.07 0.00 -0.00 -1.31 -0.56 114.38 113.54 3b8i h ARG 280 Ca 0.16 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.98 59.53 3b8i h ARG 280 Cb 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.01 3b8i h ARG 280 CO -0.22 0.63 -0.03 0.22 0.00 0.00 0.00 179.97 180.56 3b8i h ASP 281 N 0.74 -0.07 0.00 7.04 1.82 -0.72 -3.34 116.42 121.89 3b8i h ASP 281 Ca 0.19 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 3b8i h ASP 281 Cb 0.09 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.12 3b8i h ASP 281 CO -0.03 0.29 -1.15 -1.22 -1.61 0.00 0.00 179.24 175.52 3b8i n TYR 282 N -4.96 0.00 -2.17 0.28 4.01 0.85 -4.48 117.16 110.69 3b8i n TYR 282 Ca -0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.56 3b8i n TYR 282 Cb 0.21 -0.14 0.07 0.00 -0.31 0.00 0.00 39.34 39.17 3b8i n TYR 282 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3b8i n MET 283 N -1.65 2.40 0.00 -0.72 2.81 -0.22 -5.04 117.12 114.69 3b8i n MET 283 Ca 0.01 -3.62 0.00 0.00 -1.81 0.00 0.00 57.70 52.28 3b8i n MET 283 Cb 0.33 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 3b8i n MET 283 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87