#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 3.64 0.74 5.13 0.00 -1.26 -5.00 121.76 125.01 3b8i s ALA 4 Ca 0.00 1.17 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 3b8i s ALA 4 Cb 0.00 -3.57 0.06 0.00 0.00 0.00 0.00 23.12 19.61 3b8i s ALA 4 CO 0.00 -0.70 1.08 -1.54 0.00 0.00 0.00 175.76 174.60 3b8i s SER 5 N 1.23 4.75 0.31 0.00 1.04 -1.26 -4.83 113.70 114.94 3b8i s SER 5 Ca 0.66 0.62 0.07 0.00 0.48 0.00 0.00 55.95 57.78 3b8i s SER 5 Cb -0.38 -1.22 0.80 0.00 0.10 0.00 0.00 66.02 65.31 3b8i s SER 5 CO 0.30 -1.69 1.74 0.45 0.98 0.00 0.00 173.24 175.02 3b8i h HIS 6 N -0.76 0.96 -0.41 5.02 3.86 -1.95 0.06 115.15 121.93 3b8i h HIS 6 Ca -0.45 0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 58.64 3b8i h HIS 6 Cb 1.32 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 3b8i h HIS 6 CO 0.34 0.10 -0.34 1.25 0.86 0.00 0.00 177.93 180.14 3b8i h HIS 7 N 0.61 1.14 -0.52 2.45 -0.00 -1.93 -2.74 115.15 114.15 3b8i h HIS 7 Ca 0.60 -0.32 -0.09 0.00 -0.00 0.00 0.00 60.37 60.56 3b8i h HIS 7 Cb 1.07 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 28.22 3b8i h HIS 7 CO -0.03 1.15 -0.03 0.93 -0.00 0.00 0.00 177.93 179.96 3b8i h GLU 8 N 0.79 0.91 -0.83 5.26 5.08 -1.67 -1.99 114.58 122.14 3b8i h GLU 8 Ca 0.07 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 3b8i h GLU 8 Cb 0.93 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 3b8i h GLU 8 CO 0.09 0.92 0.38 -0.07 -1.00 0.00 0.00 179.01 179.33 3b8i h LEU 9 N 0.84 1.10 -1.11 1.33 3.38 -1.02 -1.42 115.31 118.42 3b8i h LEU 9 Ca 0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3b8i h LEU 9 Cb 0.54 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3b8i h LEU 9 CO 0.03 0.94 0.25 0.03 0.09 0.00 0.00 178.44 179.79 3b8i h ARG 10 N 1.19 0.89 -0.69 1.13 3.08 -1.21 -1.75 114.38 117.02 3b8i h ARG 10 Ca 0.28 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 3b8i h ARG 10 Cb 0.15 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3b8i h ARG 10 CO -0.03 0.72 0.17 0.00 -1.07 0.00 0.00 179.97 179.75 3b8i h ALA 11 N 1.40 0.90 -0.79 0.04 0.00 -0.86 -1.73 119.26 118.23 3b8i h ALA 11 Ca 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3b8i h ALA 11 Cb 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3b8i h ALA 11 CO -0.02 0.63 0.35 0.52 0.00 0.00 0.00 179.25 180.73 3b8i h MET 12 N 1.03 1.15 -0.20 0.00 2.86 -0.98 -1.37 114.93 117.41 3b8i h MET 12 Ca 0.22 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3b8i h MET 12 Cb 0.37 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3b8i h MET 12 CO 0.00 0.90 0.03 0.35 1.06 0.00 0.00 176.91 179.26 3b8i h PHE 13 N 1.12 0.35 -0.84 -0.22 3.57 -1.22 -1.95 116.94 117.75 3b8i h PHE 13 Ca 0.27 -0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.86 3b8i h PHE 13 Cb 0.15 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 3b8i h PHE 13 CO 0.01 0.48 0.55 0.00 -2.23 0.00 0.00 178.31 177.12 3b8i h ARG 14 N 0.12 0.58 -0.27 1.11 -0.00 -1.21 -2.06 114.38 112.65 3b8i h ARG 14 Ca 0.06 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.98 59.42 3b8i h ARG 14 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.15 3b8i h ARG 14 CO 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 179.97 180.20 3b8i h ALA 15 N 1.61 0.39 -0.94 0.04 0.00 -0.80 -1.00 119.26 118.56 3b8i h ALA 15 Ca 0.42 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 55.12 3b8i h ALA 15 Cb 0.75 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 3b8i h ALA 15 CO -0.17 0.29 0.56 -0.07 0.00 0.00 0.00 179.25 179.86 3b8i h LEU 16 N 0.32 0.78 -0.51 0.00 3.38 -0.97 -1.94 115.31 116.37 3b8i h LEU 16 Ca 0.06 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 3b8i h LEU 16 Cb 0.69 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3b8i h LEU 16 CO 0.05 0.39 -0.51 -0.07 0.09 0.00 0.00 178.44 178.38 3b8i h LEU 17 N 0.85 0.68 0.00 1.67 3.38 -1.04 -2.84 115.31 118.01 3b8i h LEU 17 Ca 0.49 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3b8i h LEU 17 Cb 0.56 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3b8i h LEU 17 CO -0.30 1.07 0.00 0.47 0.09 0.00 0.00 178.44 179.77 3b8i n ASP 18 N -3.98 0.00 -3.70 -0.43 8.00 -0.41 -4.84 116.55 111.19 3b8i n ASP 18 Ca -0.03 0.34 -0.29 0.00 0.71 0.00 0.00 54.79 55.52 3b8i n ASP 18 Cb 0.59 -0.44 0.22 0.00 -0.02 0.00 0.00 41.12 41.46 3b8i n ASP 18 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3b8i n SER 19 N -1.44 -0.83 -0.66 -2.24 3.41 -0.76 -4.98 113.62 106.11 3b8i n SER 19 Ca 0.08 -1.33 0.08 0.00 -0.26 0.00 0.00 58.87 57.44 3b8i n SER 19 Cb 0.28 -0.98 0.22 0.00 -0.26 0.00 0.00 64.21 63.47 3b8i n SER 19 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3b8i n SER 20 N -4.25 3.26 -4.79 4.04 7.64 -1.26 -4.98 113.62 113.27 3b8i n SER 20 Ca 0.15 -3.13 -0.22 0.00 1.01 0.00 0.00 58.87 56.69 3b8i n SER 20 Cb 0.56 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 63.19 3b8i n SER 20 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3b8i s ARG 21 N -2.89 2.50 0.30 1.43 0.52 -1.26 -4.73 118.95 114.82 3b8i s ARG 21 Ca 0.39 -1.48 0.09 0.00 -0.52 0.00 0.00 55.73 54.21 3b8i s ARG 21 Cb 0.33 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 3b8i s ARG 21 CO 0.06 0.06 0.09 0.00 0.02 0.00 0.00 175.30 175.54 3b8i s TYR 23 N -2.35 1.03 -0.13 0.00 2.02 -0.39 -4.97 117.35 112.56 3b8i s TYR 23 Ca 0.35 -0.23 -0.15 0.00 -0.37 0.00 0.00 57.07 56.67 3b8i s TYR 23 Cb -0.05 -0.65 -0.05 0.00 -0.40 0.00 0.00 41.96 40.82 3b8i s TYR 23 CO 0.22 -0.01 0.36 -1.01 -1.57 0.00 0.00 175.55 173.54 3b8i s HIS 24 N -0.42 3.52 0.43 2.71 3.76 -1.26 0.00 115.29 124.04 3b8i s HIS 24 Ca 0.03 0.73 -0.22 0.00 -0.15 0.00 0.00 55.06 55.46 3b8i s HIS 24 Cb -0.05 -2.39 -0.09 0.00 1.11 0.00 0.00 32.58 31.16 3b8i s HIS 24 CO -0.00 0.28 1.01 0.95 -0.85 0.00 0.00 174.74 176.13 3b8i s THR 25 N 0.27 3.98 0.17 1.30 -4.23 -0.37 -4.70 115.64 112.05 3b8i s THR 25 Ca 0.20 1.33 -0.22 0.00 -1.18 0.00 0.00 61.69 61.83 3b8i s THR 25 Cb -0.14 -3.60 -0.08 0.00 1.34 0.00 0.00 72.50 70.02 3b8i s THR 25 CO 0.07 -0.17 0.72 0.00 -0.54 0.00 0.00 174.62 174.70 3b8i s ALA 26 N -1.92 3.46 -0.34 3.99 0.00 -0.91 -4.76 121.76 121.28 3b8i s ALA 26 Ca 0.62 0.22 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 3b8i s ALA 26 Cb -0.16 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 3b8i s ALA 26 CO 0.20 0.33 1.71 0.45 0.00 0.00 0.00 175.76 178.45 3b8i s SER 27 N -1.35 6.00 -0.24 0.00 0.15 -1.26 -1.17 113.70 115.82 3b8i s SER 27 Ca 0.38 1.21 0.02 0.00 0.70 0.00 0.00 55.95 58.26 3b8i s SER 27 Cb -0.20 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.63 3b8i s SER 27 CO 0.23 -1.64 -0.12 -0.69 1.20 0.00 0.00 173.24 172.22 3b8i s VAL 28 N 6.53 2.21 0.00 4.45 1.01 -0.82 -4.90 120.40 128.88 3b8i s VAL 28 Ca 0.76 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3b8i s VAL 28 Cb -0.21 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 33.96 3b8i s VAL 28 CO 0.34 0.11 0.03 2.22 0.00 0.00 0.00 175.10 177.79 3b8i n PHE 29 N 4.49 0.00 -3.83 5.22 1.16 -1.26 -3.10 117.46 120.14 3b8i n PHE 29 Ca -0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.35 3b8i n PHE 29 Cb 0.44 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.31 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 -0.57 -0.14 0.18 5.98 1.47 -1.26 -4.91 116.67 117.41 3b8i s ASP 30 Ca 0.00 -0.81 -0.13 0.00 1.18 0.00 0.00 52.55 52.79 3b8i s ASP 30 Cb 0.00 0.75 0.10 0.00 -0.34 0.00 0.00 42.92 43.43 3b8i s ASP 30 CO 0.00 -1.44 1.83 -0.65 0.68 0.00 0.00 175.17 175.59 3b8i h PRO 31 N 2.00 0.68 0.13 2.11 0.11 -1.89 -0.57 132.00 134.57 3b8i h PRO 31 Ca -0.25 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.83 3b8i h PRO 31 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3b8i h PRO 31 CO 0.31 0.45 -0.19 0.52 -0.21 0.00 0.00 178.00 178.88 3b8i h MET 32 N 0.70 -0.37 -0.35 1.05 2.86 -1.97 -1.22 114.93 115.63 3b8i h MET 32 Ca 0.21 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3b8i h MET 32 Cb -0.03 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3b8i h MET 32 CO -0.07 -0.25 0.20 0.66 1.06 0.00 0.00 176.91 178.51 3b8i h SER 33 N -0.38 0.42 -0.59 1.22 4.64 -1.92 -0.61 113.55 116.33 3b8i h SER 33 Ca 0.02 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 3b8i h SER 33 Cb 0.39 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3b8i h SER 33 CO -0.09 0.34 -0.04 0.00 -0.87 0.00 0.00 176.83 176.17 3b8i h ALA 34 N 1.74 0.81 -0.43 5.18 0.00 -0.64 -0.85 119.26 125.06 3b8i h ALA 34 Ca 0.13 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3b8i h ALA 34 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3b8i h ALA 34 CO -0.02 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.94 3b8i h ARG 35 N 0.96 0.73 0.01 0.00 3.08 -0.47 -2.61 114.38 116.09 3b8i h ARG 35 Ca 0.16 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3b8i h ARG 35 Cb 0.60 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3b8i h ARG 35 CO 0.04 0.79 -0.18 0.82 -1.07 0.00 0.00 179.97 180.36 3b8i h ILE 36 N 0.58 0.57 -0.72 2.04 2.04 -0.94 -1.71 117.51 119.38 3b8i h ILE 36 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.04 3b8i h ILE 36 Cb 0.43 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3b8i h ILE 36 CO 0.01 0.00 0.42 0.00 0.00 0.00 0.00 178.15 178.58 3b8i h ALA 37 N 0.60 0.97 -0.29 1.87 0.00 -1.13 -1.25 119.26 120.03 3b8i h ALA 37 Ca 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3b8i h ALA 37 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3b8i h ALA 37 CO -0.16 0.13 -0.23 0.00 0.00 0.00 0.00 179.25 178.99 3b8i h ALA 38 N 1.36 1.06 -0.36 0.00 0.00 -1.34 -2.30 119.26 117.68 3b8i h ALA 38 Ca 0.32 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3b8i h ALA 38 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3b8i h ALA 38 CO -0.17 0.57 -0.33 0.22 0.00 0.00 0.00 179.25 179.54 3b8i h ASP 39 N 0.49 0.90 0.17 0.00 3.58 -0.52 -2.25 116.42 118.80 3b8i h ASP 39 Ca 0.07 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 57.06 3b8i h ASP 39 Cb 0.66 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.46 3b8i h ASP 39 CO 0.05 1.18 0.00 0.18 -2.88 0.00 0.00 179.24 177.76 3b8i n LEU 40 N -4.15 0.00 0.00 2.28 4.77 -0.55 -4.90 117.00 114.45 3b8i n LEU 40 Ca -0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3b8i n LEU 40 Cb 0.51 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3b8i n LEU 40 CO 0.47 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3b8i n GLY 41 N -0.18 0.55 3.64 -0.72 0.00 -0.85 -5.04 105.19 102.60 3b8i n GLY 41 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.89 1.76 0.10 1.61 3.72 -0.88 -4.94 117.46 115.94 3b8i n PHE 42 Ca 0.00 0.62 -0.17 0.00 -0.05 0.00 0.00 57.45 57.85 3b8i n PHE 42 Cb 0.00 -2.33 -0.12 0.00 -0.94 0.00 0.00 39.48 36.08 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 2.38 0.36 -3.55 -1.08 3.07 -1.89 -3.44 114.58 110.43 3b8i h GLU 43 Ca -0.43 -0.55 -0.06 0.00 -0.50 0.00 0.00 59.36 57.82 3b8i h GLU 43 Cb 1.31 0.20 -0.13 0.00 -0.84 0.00 0.00 28.75 29.29 3b8i h GLU 43 CO 0.62 1.24 -0.17 0.00 -1.40 0.00 0.00 179.01 179.30 3b8i s GLY 45 N -2.85 2.43 -0.03 0.00 0.00 0.08 -2.14 107.32 104.81 3b8i s GLY 45 Ca 0.06 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 3b8i s GLY 45 CO -0.09 -1.91 0.05 -1.50 0.00 0.00 0.00 173.10 169.64 3b8i s ILE 46 N -3.14 -0.09 -0.50 0.90 2.07 -0.32 -0.57 121.20 119.56 3b8i s ILE 46 Ca 0.28 0.34 -0.24 0.00 -1.41 0.00 0.00 60.65 59.62 3b8i s ILE 46 Cb 0.06 -0.12 0.03 0.00 0.13 0.00 0.00 42.46 42.56 3b8i s ILE 46 CO 0.14 0.14 0.88 -0.22 -1.91 0.00 0.00 174.94 173.96 3b8i s LEU 47 N 1.71 4.16 0.21 8.50 2.96 0.83 -1.95 118.68 135.10 3b8i s LEU 47 Ca -0.01 -0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 53.51 3b8i s LEU 47 Cb -0.12 -2.94 -0.08 0.00 0.50 0.00 0.00 46.19 43.54 3b8i s LEU 47 CO -0.03 -1.07 0.73 -0.83 -1.32 0.00 0.00 176.35 173.82 3b8i s GLY 48 N 2.48 2.65 0.35 7.98 0.00 -1.26 -0.94 107.32 118.58 3b8i s GLY 48 Ca 0.31 0.19 0.04 0.00 0.00 0.00 0.00 44.72 45.26 3b8i s GLY 48 CO 0.22 0.57 1.93 -1.33 0.00 0.00 0.00 173.10 174.49 3b8i h GLY 49 N 3.56 0.66 1.01 0.20 0.00 -1.98 -2.50 103.07 104.02 3b8i h GLY 49 Ca -0.48 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 3b8i h GLY 49 CO 0.65 0.31 0.24 1.48 0.00 0.00 0.00 176.54 179.22 3b8i h SER 50 N 0.61 0.88 -0.18 0.19 4.64 -1.93 -2.18 113.55 115.59 3b8i h SER 50 Ca 0.15 -0.18 -0.17 0.00 -0.47 0.00 0.00 61.79 61.11 3b8i h SER 50 Cb 0.16 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3b8i h SER 50 CO -0.01 0.82 -0.56 0.58 -0.87 0.00 0.00 176.83 176.79 3b8i h VAL 51 N 0.89 1.31 -0.89 0.95 2.07 -1.92 -1.92 116.25 116.75 3b8i h VAL 51 Ca 0.21 -1.80 0.11 0.00 0.82 0.00 0.00 66.70 66.04 3b8i h VAL 51 Cb 0.23 1.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 3b8i h VAL 51 CO -0.01 0.56 0.53 0.00 0.02 0.00 0.00 177.57 178.66 3b8i h ALA 52 N 0.57 1.30 -0.46 1.67 0.00 -1.44 0.10 119.26 121.00 3b8i h ALA 52 Ca -0.02 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3b8i h ALA 52 Cb 1.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3b8i h ALA 52 CO 0.12 0.13 -0.10 1.03 0.00 0.00 0.00 179.25 180.43 3b8i h SER 53 N 0.85 0.83 -0.65 0.00 0.87 -1.23 -0.06 113.55 114.15 3b8i h SER 53 Ca 0.44 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 3b8i h SER 53 Cb 0.43 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3b8i h SER 53 CO -0.26 0.95 0.32 -0.07 -0.53 0.00 0.00 176.83 177.24 3b8i h LEU 54 N 0.76 0.86 -0.00 2.23 3.38 -0.51 -2.26 115.31 119.76 3b8i h LEU 54 Ca 0.13 -0.13 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 3b8i h LEU 54 Cb 0.60 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.15 3b8i h LEU 54 CO 0.04 0.75 -1.02 1.56 0.09 0.00 0.00 178.44 179.85 3b8i h GLN 55 N 0.90 0.70 0.17 1.13 4.20 -0.70 0.69 115.11 122.21 3b8i h GLN 55 Ca 0.23 -0.75 -0.32 0.00 0.06 0.00 0.00 58.65 57.87 3b8i h GLN 55 Cb 0.12 0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.12 3b8i h GLN 55 CO -0.03 1.32 -1.52 0.28 -0.67 0.00 0.00 178.83 178.22 3b8i h VAL 56 N 0.39 1.20 0.00 -0.54 2.07 -1.10 -3.41 116.25 114.86 3b8i h VAL 56 Ca -0.13 -2.76 0.00 0.00 0.82 0.00 0.00 66.70 64.64 3b8i h VAL 56 Cb 1.68 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 3b8i h VAL 56 CO 0.20 0.84 -0.22 0.18 0.02 0.00 0.00 177.57 178.59 3b8i n LEU 57 N -3.57 0.00 -3.89 2.57 4.77 -0.90 -5.03 117.00 110.96 3b8i n LEU 57 Ca -0.17 -0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.30 3b8i n LEU 57 Cb 1.06 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.17 3b8i n LEU 57 CO 0.54 0.00 0.03 0.00 -1.33 0.00 0.00 177.39 176.63 3b8i n ALA 58 N -0.79 -1.50 -2.44 -1.18 0.00 0.24 -4.97 120.51 109.86 3b8i n ALA 58 Ca 0.00 0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.25 3b8i n ALA 58 Cb 0.00 -3.62 -0.12 0.00 0.00 0.00 0.00 19.45 15.71 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 -3.43 2.36 1.16 0.00 0.00 -0.96 -4.17 121.76 116.72 3b8i s ALA 59 Ca 0.47 -1.59 -0.13 0.00 0.00 0.00 0.00 51.96 50.71 3b8i s ALA 59 Cb -0.24 -0.28 0.28 0.00 0.00 0.00 0.00 23.12 22.89 3b8i s ALA 59 CO 0.84 0.37 1.03 -2.14 0.00 0.00 0.00 175.76 175.85 3b8i s PRO 60 N -2.71 -0.93 -1.56 0.00 0.02 -1.26 -3.69 135.00 124.87 3b8i s PRO 60 Ca 0.19 0.91 -0.11 0.00 0.02 0.00 0.00 61.00 62.01 3b8i s PRO 60 Cb -0.07 -1.55 -0.04 0.00 0.02 0.00 0.00 34.50 32.86 3b8i s PRO 60 CO 0.09 -3.75 2.68 -3.47 -0.33 0.00 0.00 177.00 172.22 3b8i n ASP 61 N -4.95 6.97 -0.81 2.53 2.03 -1.26 -4.62 116.55 116.44 3b8i n ASP 61 Ca 0.03 -2.68 0.09 0.00 0.52 0.00 0.00 54.79 52.75 3b8i n ASP 61 Cb 0.54 -1.59 0.24 0.00 -0.72 0.00 0.00 41.12 39.59 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 4.46 0.84 -3.70 -0.67 3.72 -1.26 -4.97 117.46 115.88 3b8i n PHE 62 Ca 0.69 -0.87 -0.23 0.00 -0.05 0.00 0.00 57.45 56.99 3b8i n PHE 62 Cb 0.29 -0.29 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.54 -2.10 -0.07 4.37 0.00 -1.26 -4.66 120.51 116.24 3b8i n ALA 63 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 3b8i n ALA 63 Cb 0.85 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.81 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 -4.22 0.27 -4.75 0.00 4.32 -1.26 -4.92 117.00 106.44 3b8i n LEU 64 Ca -0.27 0.13 -0.35 0.00 -0.02 0.00 0.00 56.01 55.51 3b8i n LEU 64 Cb 0.67 0.36 0.05 0.00 -1.62 0.00 0.00 43.42 42.87 3b8i n LEU 64 CO 0.68 0.42 0.79 0.27 -1.22 0.00 0.00 177.39 178.34 3b8i s ILE 65 N -2.61 2.80 0.35 -0.08 -4.36 -1.26 -5.03 121.20 111.01 3b8i s ILE 65 Ca -0.08 0.43 0.02 0.00 -0.26 0.00 0.00 60.65 60.76 3b8i s ILE 65 Cb 0.07 -3.06 -0.03 0.00 1.25 0.00 0.00 42.46 40.70 3b8i s ILE 65 CO 0.83 -0.17 0.54 0.42 0.24 0.00 0.00 174.94 176.80 3b8i s THR 66 N -1.91 4.88 0.24 8.37 -4.23 -1.26 -4.94 115.64 116.78 3b8i s THR 66 Ca 0.73 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 60.59 3b8i s THR 66 Cb -0.26 -3.77 0.24 0.00 1.34 0.00 0.00 72.50 70.04 3b8i s THR 66 CO 0.37 -0.46 1.66 0.25 -0.54 0.00 0.00 174.62 175.90 3b8i h LEU 67 N 0.76 -0.19 -1.27 4.79 5.85 -1.95 -1.37 115.31 121.93 3b8i h LEU 67 Ca -0.49 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.48 3b8i h LEU 67 Cb 1.23 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 42.47 3b8i h LEU 67 CO 0.60 -0.11 0.54 0.28 -0.34 0.00 0.00 178.44 179.42 3b8i h SER 68 N 0.17 0.75 -0.06 1.25 0.02 -1.98 -0.62 113.55 113.08 3b8i h SER 68 Ca 0.39 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.24 3b8i h SER 68 Cb 0.66 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.07 3b8i h SER 68 CO -0.56 0.45 -0.42 -0.33 -1.14 0.00 0.00 176.83 174.83 3b8i h GLU 69 N 0.83 0.38 -0.89 3.45 5.08 -1.80 0.29 114.58 121.92 3b8i h GLU 69 Ca 0.38 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3b8i h GLU 69 Cb 0.38 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3b8i h GLU 69 CO -0.15 0.99 0.58 0.35 -1.00 0.00 0.00 179.01 179.78 3b8i h PHE 70 N -0.11 1.08 -0.49 4.33 3.57 -0.87 -2.34 116.94 122.12 3b8i h PHE 70 Ca -0.04 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 3b8i h PHE 70 Cb 1.09 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3b8i h PHE 70 CO 0.13 0.62 -0.20 0.28 -2.23 0.00 0.00 178.31 176.92 3b8i h VAL 71 N 1.12 1.27 -0.71 1.41 2.07 -1.06 -2.14 116.25 118.20 3b8i h VAL 71 Ca 0.36 -1.36 0.07 0.00 0.82 0.00 0.00 66.70 66.59 3b8i h VAL 71 Cb 0.01 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3b8i h VAL 71 CO -0.12 0.47 0.39 -0.08 0.02 0.00 0.00 177.57 178.25 3b8i h GLU 72 N 0.86 0.68 -0.10 1.57 4.57 -0.63 0.28 114.58 121.81 3b8i h GLU 72 Ca 0.12 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3b8i h GLU 72 Cb 0.77 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 3b8i h GLU 72 CO 0.06 0.45 -0.02 1.96 -1.18 0.00 0.00 179.01 180.28 3b8i h GLN 73 N 0.70 0.01 -0.71 1.92 1.08 -1.02 -0.96 115.11 116.12 3b8i h GLN 73 Ca 0.33 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.56 3b8i h GLN 73 Cb 0.26 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 3b8i h GLN 73 CO -0.21 0.00 0.45 0.00 -0.95 0.00 0.00 178.83 178.12 3b8i h ALA 74 N 1.09 0.92 -0.28 3.87 0.00 -1.14 -2.14 119.26 121.59 3b8i h ALA 74 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3b8i h ALA 74 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3b8i h ALA 74 CO -0.10 0.25 0.14 1.15 0.00 0.00 0.00 179.25 180.69 3b8i h THR 75 N 0.89 1.15 -0.88 0.00 2.02 -0.16 0.27 112.91 116.21 3b8i h THR 75 Ca 0.28 -0.43 0.07 0.00 0.77 0.00 0.00 66.41 67.10 3b8i h THR 75 Cb -0.01 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 3b8i h THR 75 CO -0.10 0.15 0.55 0.03 0.37 0.00 0.00 175.52 176.52 3b8i h ARG 76 N 0.32 0.96 -0.37 6.66 3.08 -0.95 -2.05 114.38 122.03 3b8i h ARG 76 Ca 0.10 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3b8i h ARG 76 Cb 0.12 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3b8i h ARG 76 CO -0.01 0.63 0.11 0.82 -1.07 0.00 0.00 179.97 180.46 3b8i h ILE 77 N 0.99 1.21 -0.03 2.04 2.04 -1.11 -3.20 117.51 119.46 3b8i h ILE 77 Ca 0.39 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3b8i h ILE 77 Cb 0.19 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3b8i h ILE 77 CO -0.18 0.24 0.04 1.23 0.00 0.00 0.00 178.15 179.48 3b8i h GLY 78 N 0.45 0.00 2.00 5.37 0.00 0.22 0.06 103.07 111.17 3b8i h GLY 78 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3b8i h GLY 78 CO -0.00 0.00 -0.14 3.21 0.00 0.00 0.00 176.54 179.61 3b8i h ARG 79 N 0.00 0.00 0.00 4.80 3.08 -1.42 -3.36 114.38 117.48 3b8i h ARG 79 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3b8i h ARG 79 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3b8i h ARG 79 CO -0.00 0.14 -0.60 1.33 -1.07 0.00 0.00 179.97 179.77 3b8i n VAL 80 N -3.33 0.00 -1.81 2.04 0.24 -0.52 -5.07 118.33 109.88 3b8i n VAL 80 Ca -0.00 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.76 3b8i n VAL 80 Cb 0.36 0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 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 -1.44 3.70 -1.48 2.33 0.00 -0.11 -4.83 121.76 119.94 3b8i s ALA 81 Ca 0.00 1.31 0.15 0.00 0.00 0.00 0.00 51.96 53.43 3b8i s ALA 81 Cb 0.00 -3.75 0.02 0.00 0.00 0.00 0.00 23.12 19.39 3b8i s ALA 81 CO 0.00 -1.23 0.85 0.54 0.00 0.00 0.00 175.76 175.92 3b8i n ARG 82 N 5.95 1.65 -4.37 0.00 1.74 -1.26 -4.93 116.66 115.44 3b8i n ARG 82 Ca 0.17 -0.90 -0.28 0.00 -0.77 0.00 0.00 57.85 56.08 3b8i n ARG 82 Cb 0.40 -1.25 -0.13 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.82 2.32 0.24 0.55 2.34 -1.26 -4.98 118.68 116.07 3b8i s LEU 83 Ca 0.13 -0.74 -0.31 0.00 0.06 0.00 0.00 54.13 53.28 3b8i s LEU 83 Cb 0.12 -1.14 -0.13 0.00 -0.56 0.00 0.00 46.19 44.48 3b8i s LEU 83 CO 0.34 0.15 1.54 -0.81 -1.06 0.00 0.00 176.35 176.51 3b8i n PRO 84 N 0.95 2.39 -5.05 1.48 -0.04 -1.26 -4.80 135.00 128.67 3b8i n PRO 84 Ca -0.18 0.85 -0.32 0.00 -0.04 0.00 0.00 63.50 63.81 3b8i n PRO 84 Cb 0.53 -2.60 -0.16 0.00 -0.04 0.00 0.00 33.50 31.24 3b8i n PRO 84 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3b8i s VAL 85 N 0.26 2.49 -0.12 0.52 1.01 -1.26 -0.74 120.40 122.56 3b8i s VAL 85 Ca 0.69 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 3b8i s VAL 85 Cb -0.58 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3b8i s VAL 85 CO 0.45 0.55 0.50 -0.63 0.00 0.00 0.00 175.10 175.97 3b8i s ILE 86 N 0.17 5.18 -0.25 2.22 1.01 0.27 -0.86 121.20 128.93 3b8i s ILE 86 Ca -0.11 0.99 -0.12 0.00 0.00 0.00 0.00 60.65 61.41 3b8i s ILE 86 Cb -0.16 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3b8i s ILE 86 CO 0.06 0.31 0.24 0.00 0.00 0.00 0.00 174.94 175.56 3b8i s ALA 87 N 0.68 3.57 -0.53 9.38 0.00 0.10 -0.12 121.76 134.84 3b8i s ALA 87 Ca 0.27 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 51.06 3b8i s ALA 87 Cb -0.15 -2.49 -0.00 0.00 0.00 0.00 0.00 23.12 20.48 3b8i s ALA 87 CO 0.11 -0.41 1.61 0.34 0.00 0.00 0.00 175.76 177.41 3b8i s ASP 88 N 1.38 5.85 -0.37 0.00 2.15 -0.11 -1.38 116.67 124.18 3b8i s ASP 88 Ca 0.10 0.48 0.07 0.00 0.43 0.00 0.00 52.55 53.64 3b8i s ASP 88 Cb -0.15 -2.54 0.65 0.00 -0.30 0.00 0.00 42.92 40.59 3b8i s ASP 88 CO 0.08 -1.89 1.78 0.00 -0.17 0.00 0.00 175.17 174.97 3b8i n ALA 89 N 10.58 4.98 -0.26 3.66 0.00 -0.95 -4.00 120.51 134.51 3b8i n ALA 89 Ca 0.16 -2.78 0.00 0.00 0.00 0.00 0.00 53.44 50.82 3b8i n ALA 89 Cb 0.50 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.86 0.00 -0.49 0.00 9.92 -1.26 -1.06 116.55 122.81 3b8i n ASP 90 Ca 0.48 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.81 3b8i n ASP 90 Cb 1.44 0.00 0.26 0.00 -0.64 0.00 0.00 41.12 42.19 3b8i n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3b8i n HIS 91 N 14.00 0.28 -0.76 1.24 1.44 -1.26 -1.37 115.22 128.78 3b8i n HIS 91 Ca 0.00 -0.14 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 3b8i n HIS 91 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 1.01 0.57 2.33 -1.39 0.00 -0.23 -4.46 105.19 103.02 3b8i n GLY 92 Ca 0.13 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.76 -0.80 0.00 1.61 4.01 -1.26 -2.88 117.16 115.07 3b8i n TYR 93 Ca 0.00 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3b8i n TYR 93 Cb 0.00 -3.15 0.00 0.00 -0.31 0.00 0.00 39.34 35.88 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 -1.06 0.05 0.00 2.72 0.00 -1.26 -4.87 105.19 100.77 3b8i n GLY 94 Ca -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 0.28 1.61 0.23 -1.26 -4.70 115.26 111.41 3b8i n ASN 95 Ca 0.00 -0.90 0.12 0.00 -0.53 0.00 0.00 54.58 53.27 3b8i n ASN 95 Cb 0.00 0.00 0.78 0.00 -2.08 0.00 0.00 39.78 38.48 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 -0.57 1.63 -0.20 -2.53 0.00 -1.93 -0.73 119.26 114.93 3b8i h ALA 96 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3b8i h ALA 96 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3b8i h ALA 96 CO 0.00 0.04 -0.70 -0.07 0.00 0.00 0.00 179.25 178.52 3b8i h LEU 97 N 0.00 0.96 -1.27 0.00 3.38 -1.96 -2.63 115.31 113.78 3b8i h LEU 97 Ca -0.00 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 3b8i h LEU 97 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3b8i h LEU 97 CO 0.00 1.39 0.18 0.78 0.09 0.00 0.00 178.44 180.89 3b8i h ASN 98 N 0.58 0.62 -0.73 -0.43 4.21 -1.57 -2.99 115.58 115.27 3b8i h ASN 98 Ca -0.03 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.40 3b8i h ASN 98 Cb 1.33 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 38.33 3b8i h ASN 98 CO 0.15 0.57 0.43 0.58 -1.29 0.00 0.00 177.43 177.86 3b8i h VAL 99 N 0.68 1.21 -0.70 2.81 2.07 -0.98 -0.40 116.25 120.94 3b8i h VAL 99 Ca 0.16 -0.50 0.14 0.00 0.82 0.00 0.00 66.70 67.33 3b8i h VAL 99 Cb 0.15 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.03 3b8i h VAL 99 CO -0.02 0.23 0.20 0.24 0.02 0.00 0.00 177.57 178.25 3b8i h MET 100 N 1.01 0.31 -0.31 1.57 2.86 -1.32 -1.03 114.93 118.03 3b8i h MET 100 Ca 0.26 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.80 3b8i h MET 100 Cb -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3b8i h MET 100 CO -0.05 0.21 -0.15 0.00 1.06 0.00 0.00 176.91 177.98 3b8i h ARG 101 N 0.32 0.64 -0.49 1.72 3.08 -1.37 -0.88 114.38 117.39 3b8i h ARG 101 Ca 0.39 -0.28 0.10 0.00 0.07 0.00 0.00 59.98 60.26 3b8i h ARG 101 Cb 0.62 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.55 3b8i h ARG 101 CO -0.45 0.86 -0.16 1.15 -1.07 0.00 0.00 179.97 180.31 3b8i h THR 102 N 0.40 0.45 -0.26 2.04 2.02 -0.51 -0.38 112.91 116.66 3b8i h THR 102 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3b8i h THR 102 Cb 0.67 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3b8i h THR 102 CO 0.04 0.00 0.14 0.58 0.37 0.00 0.00 175.52 176.65 3b8i h VAL 103 N -0.04 1.13 -0.25 3.16 2.07 -0.99 -1.62 116.25 119.70 3b8i h VAL 103 Ca 0.24 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3b8i h VAL 103 Cb 0.40 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3b8i h VAL 103 CO -0.53 0.13 0.08 0.58 0.02 0.00 0.00 177.57 177.85 3b8i h VAL 104 N 0.30 0.94 -0.35 2.57 2.07 -0.81 -0.11 116.25 120.85 3b8i h VAL 104 Ca 0.09 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3b8i h VAL 104 Cb 0.08 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3b8i h VAL 104 CO -0.01 0.04 0.22 -0.33 0.02 0.00 0.00 177.57 177.50 3b8i h GLU 105 N 0.20 0.47 -0.09 1.57 4.39 -1.00 -1.78 114.58 118.34 3b8i h GLU 105 Ca 0.11 -0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.56 3b8i h GLU 105 Cb 0.08 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3b8i h GLU 105 CO -0.11 0.33 -0.81 -0.07 -1.16 0.00 0.00 179.01 177.19 3b8i h LEU 106 N 0.47 0.73 -0.69 1.33 3.38 -1.12 -1.03 115.31 118.37 3b8i h LEU 106 Ca 0.13 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 3b8i h LEU 106 Cb -0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3b8i h LEU 106 CO -0.03 1.28 0.24 -0.08 0.09 0.00 0.00 178.44 179.95 3b8i h GLU 107 N 0.39 1.06 -0.56 1.13 4.81 -1.04 -2.60 114.58 117.78 3b8i h GLU 107 Ca -0.06 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.88 3b8i h GLU 107 Cb 1.43 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 3b8i h GLU 107 CO 0.15 0.90 0.02 -0.09 -0.73 0.00 0.00 179.01 179.27 3b8i h ARG 108 N 1.00 0.94 -0.05 1.92 2.43 -1.26 -2.73 114.38 116.63 3b8i h ARG 108 Ca 0.23 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3b8i h ARG 108 Cb 0.26 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3b8i h ARG 108 CO -0.01 0.92 0.06 0.00 -1.51 0.00 0.00 179.97 179.42 3b8i h ALA 109 N 1.14 1.56 0.00 2.80 0.00 -0.95 -3.45 119.26 120.36 3b8i h ALA 109 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3b8i h ALA 109 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3b8i h ALA 109 CO 0.02 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.60 3b8i n GLY 110 N -1.33 1.55 3.79 0.00 0.00 -1.03 -4.29 105.19 103.88 3b8i n GLY 110 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 3.53 -0.14 -0.61 1.10 -1.01 -4.81 121.20 117.27 3b8i s ILE 111 Ca 0.00 0.92 0.18 0.00 -0.51 0.00 0.00 60.65 61.24 3b8i s ILE 111 Cb 0.00 -3.37 -0.14 0.00 0.15 0.00 0.00 42.46 39.10 3b8i s ILE 111 CO 0.00 -0.24 0.78 0.00 -2.11 0.00 0.00 174.94 173.36 3b8i n ALA 112 N -1.28 2.05 -3.52 1.50 0.00 -0.04 -4.79 120.51 114.44 3b8i n ALA 112 Ca 0.10 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 3b8i n ALA 112 Cb 0.52 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 3b8i n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b8i s ALA 113 N -3.00 -1.82 -0.02 0.00 0.00 -1.15 -2.54 121.76 113.24 3b8i s ALA 113 Ca -0.03 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 3b8i s ALA 113 Cb 0.09 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.23 3b8i s ALA 113 CO 0.82 -0.50 0.21 -0.48 0.00 0.00 0.00 175.76 175.82 3b8i s LEU 114 N -1.75 1.23 -0.06 0.00 0.05 -0.82 0.00 118.68 117.34 3b8i s LEU 114 Ca -0.02 -0.01 -0.01 0.00 0.05 0.00 0.00 54.13 54.15 3b8i s LEU 114 Cb -0.01 0.91 -0.03 0.00 -2.05 0.00 0.00 46.19 45.01 3b8i s LEU 114 CO -0.01 -0.36 -0.00 0.42 -0.55 0.00 0.00 176.35 175.84 3b8i s THR 115 N -1.17 4.24 -0.09 5.48 -4.23 -0.48 -0.84 115.64 118.54 3b8i s THR 115 Ca -0.12 -0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.06 3b8i s THR 115 Cb -0.06 -2.81 -0.00 0.00 1.34 0.00 0.00 72.50 70.96 3b8i s THR 115 CO 0.02 0.53 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.77 3b8i s ILE 116 N -0.95 2.03 0.30 2.99 -1.09 -0.43 -2.24 121.20 121.81 3b8i s ILE 116 Ca 0.15 -1.01 0.11 0.00 -2.23 0.00 0.00 60.65 57.67 3b8i s ILE 116 Cb -0.11 -1.75 -0.05 0.00 -1.58 0.00 0.00 42.46 38.96 3b8i s ILE 116 CO 0.05 0.55 -0.11 -1.83 -1.23 0.00 0.00 174.94 172.38 3b8i s GLU 117 N 0.29 1.89 -0.24 2.79 -1.05 -0.47 -0.48 118.70 121.42 3b8i s GLU 117 Ca -0.17 -1.73 0.14 0.00 -0.15 0.00 0.00 54.97 53.06 3b8i s GLU 117 Cb -0.17 -1.86 0.67 0.00 -0.44 0.00 0.00 34.13 32.33 3b8i s GLU 117 CO 0.08 0.27 1.62 -0.40 0.95 0.00 0.00 175.26 177.78 3b8i n ASP 118 N -0.76 4.58 -4.76 0.83 5.68 -1.16 -4.31 116.55 116.66 3b8i n ASP 118 Ca -0.05 -3.10 -0.41 0.00 -0.50 0.00 0.00 54.79 50.73 3b8i n ASP 118 Cb 0.61 -0.64 -0.03 0.00 -1.14 0.00 0.00 41.12 39.91 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 -2.89 3.14 -0.47 2.12 2.01 -1.26 0.21 115.64 118.50 3b8i s THR 119 Ca 0.49 1.08 -0.29 0.00 0.31 0.00 0.00 61.69 63.29 3b8i s THR 119 Cb 0.39 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 69.23 3b8i s THR 119 CO 0.11 0.23 1.33 -0.22 -0.69 0.00 0.00 174.62 175.39 3b8i s LEU 120 N -1.19 3.55 0.05 4.42 0.20 0.10 -4.67 118.68 121.14 3b8i s LEU 120 Ca 0.49 0.58 0.05 0.00 0.69 0.00 0.00 54.13 55.94 3b8i s LEU 120 Cb -0.36 -3.42 -0.03 0.00 -0.43 0.00 0.00 46.19 41.95 3b8i s LEU 120 CO 0.45 -1.45 -0.13 -0.76 -0.29 0.00 0.00 176.35 174.16 3b8i s LEU 121 N 5.31 2.23 1.14 -0.68 1.43 -1.26 -4.43 118.68 122.41 3b8i s LEU 121 Ca 0.55 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 3b8i s LEU 121 Cb -0.11 -0.50 0.26 0.00 0.03 0.00 0.00 46.19 45.88 3b8i s LEU 121 CO 0.31 -0.05 1.15 -2.16 0.23 0.00 0.00 176.35 175.83 3b8i s PRO 122 N -1.46 -0.74 0.12 1.29 0.04 -1.26 -4.87 135.00 128.12 3b8i s PRO 122 Ca -0.02 -0.11 -0.35 0.00 0.04 0.00 0.00 61.00 60.57 3b8i s PRO 122 Cb -0.09 -1.66 -0.17 0.00 0.04 0.00 0.00 34.50 32.63 3b8i s PRO 122 CO 0.02 -3.39 1.21 0.00 0.04 0.00 0.00 177.00 174.88 3b8i n ALA 123 N -4.52 -1.24 -1.83 8.56 0.00 -1.26 -4.96 120.51 115.26 3b8i n ALA 123 Ca 0.13 0.50 -0.33 0.00 0.00 0.00 0.00 53.44 53.74 3b8i n ALA 123 Cb 0.59 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 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 0.01 4.10 0.11 0.00 -0.21 -1.26 -5.01 119.66 117.40 3b8i s GLN 124 Ca 0.80 1.07 -0.34 0.00 0.02 0.00 0.00 55.36 56.90 3b8i s GLN 124 Cb -0.94 -2.16 -0.13 0.00 1.00 0.00 0.00 33.01 30.77 3b8i s GLN 124 CO 0.50 -0.14 1.65 0.34 -2.12 0.00 0.00 175.29 175.52 3b8i n PHE 125 N -1.02 2.29 0.00 0.91 7.35 -1.26 -2.95 117.46 122.78 3b8i n PHE 125 Ca 0.07 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 3b8i n PHE 125 Cb 0.54 -2.57 0.00 0.00 0.35 0.00 0.00 39.48 37.80 3b8i n PHE 125 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3b8i n GLY 126 N 3.64 2.27 3.48 7.13 0.00 -0.32 -4.93 105.19 116.46 3b8i n GLY 126 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3b8i n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b8i s ARG 127 N 0.00 3.13 0.00 1.61 0.52 -1.15 -4.84 118.95 118.22 3b8i s ARG 127 Ca 0.00 -0.67 0.29 0.00 -0.52 0.00 0.00 55.73 54.84 3b8i s ARG 127 Cb 0.00 -4.22 1.68 0.00 0.52 0.00 0.00 34.95 32.93 3b8i s ARG 127 CO 0.00 -1.91 2.06 0.36 0.02 0.00 0.00 175.30 175.83 3b8i n LYS 128 N 8.19 0.80 -2.98 3.54 -0.00 -1.26 -4.56 118.16 121.89 3b8i n LYS 128 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.90 3b8i n LYS 128 Cb 0.46 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.94 3b8i n LYS 128 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3b8i s SER 129 N -2.13 7.35 -0.24 -5.58 1.04 -1.26 -5.06 113.70 107.83 3b8i s SER 129 Ca 0.40 1.60 -0.29 0.00 0.48 0.00 0.00 55.95 58.15 3b8i s SER 129 Cb 0.20 -2.49 0.01 0.00 0.10 0.00 0.00 66.02 63.84 3b8i s SER 129 CO 0.36 0.17 1.06 0.28 0.98 0.00 0.00 173.24 176.09 3b8i s THR 130 N -0.91 4.63 0.32 2.02 -1.32 -1.26 -4.89 115.64 114.22 3b8i s THR 130 Ca 0.36 1.95 0.10 0.00 -1.21 0.00 0.00 61.69 62.89 3b8i s THR 130 Cb -0.23 -4.30 -0.05 0.00 -1.51 0.00 0.00 72.50 66.41 3b8i s THR 130 CO 0.26 -0.22 -0.03 -1.81 -2.21 0.00 0.00 174.62 170.61 3b8i s ASP 131 N 1.33 4.15 0.09 8.08 1.01 -1.26 -5.02 116.67 125.04 3b8i s ASP 131 Ca 0.45 -0.93 0.02 0.00 0.71 0.00 0.00 52.55 52.80 3b8i s ASP 131 Cb -0.15 -0.55 -0.04 0.00 1.01 0.00 0.00 42.92 43.19 3b8i s ASP 131 CO 0.08 -0.14 0.14 -0.76 0.21 0.00 0.00 175.17 174.70 3b8i s LEU 132 N -3.67 4.02 0.62 1.23 1.02 -1.26 0.03 118.68 120.67 3b8i s LEU 132 Ca 0.33 0.08 -0.14 0.00 0.02 0.00 0.00 54.13 54.42 3b8i s LEU 132 Cb -0.02 -2.66 -0.03 0.00 0.02 0.00 0.00 46.19 43.50 3b8i s LEU 132 CO 0.19 0.15 1.06 0.27 0.02 0.00 0.00 176.35 178.04 3b8i s ILE 133 N -1.49 3.89 0.60 -0.59 -4.36 0.13 -4.72 121.20 114.67 3b8i s ILE 133 Ca 0.32 0.82 -0.20 0.00 -0.26 0.00 0.00 60.65 61.33 3b8i s ILE 133 Cb -0.12 -3.39 -0.03 0.00 1.25 0.00 0.00 42.46 40.16 3b8i s ILE 133 CO 0.25 -0.60 1.28 0.00 0.24 0.00 0.00 174.94 176.11 3b8i h VAL 135 N 0.88 0.75 -0.03 0.00 3.04 -1.97 -0.91 116.25 118.01 3b8i h VAL 135 Ca -0.51 -0.15 -0.00 0.00 -1.01 0.00 0.00 66.70 65.03 3b8i h VAL 135 Cb 1.33 0.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 3b8i h VAL 135 CO 0.54 0.08 0.01 -0.33 -1.01 0.00 0.00 177.57 176.87 3b8i h GLU 136 N 0.45 0.04 -0.76 4.17 3.07 -1.99 0.55 114.58 120.10 3b8i h GLU 136 Ca 0.43 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.35 3b8i h GLU 136 Cb 0.98 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.82 3b8i h GLU 136 CO -0.16 0.18 0.44 1.49 -1.40 0.00 0.00 179.01 179.57 3b8i h GLU 137 N -0.12 0.76 -0.41 2.33 4.81 -1.79 -2.54 114.58 117.62 3b8i h GLU 137 Ca 0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3b8i h GLU 137 Cb 0.16 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3b8i h GLU 137 CO -0.00 0.50 0.21 0.78 -0.73 0.00 0.00 179.01 179.77 3b8i h GLY 138 N 0.78 0.63 0.69 1.92 0.00 -0.77 -1.78 103.07 104.54 3b8i h GLY 138 Ca 0.35 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.44 3b8i h GLY 138 CO -0.20 0.29 0.62 -2.08 0.00 0.00 0.00 176.54 175.17 3b8i h VAL 139 N 0.53 1.05 -0.13 4.60 2.07 -0.78 -1.99 116.25 121.59 3b8i h VAL 139 Ca 0.14 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 3b8i h VAL 139 Cb 0.10 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 3b8i h VAL 139 CO -0.02 0.20 -0.53 1.23 0.02 0.00 0.00 177.57 178.47 3b8i h GLY 140 N 1.10 0.42 1.04 2.17 0.00 -0.98 -1.25 103.07 105.56 3b8i h GLY 140 Ca 0.43 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 3b8i h GLY 140 CO -0.19 0.42 0.03 0.50 0.00 0.00 0.00 176.54 177.30 3b8i h LYS 141 N 0.30 0.97 -0.21 4.80 1.57 -1.00 0.33 116.57 123.32 3b8i h LYS 141 Ca 0.01 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 3b8i h LYS 141 Cb 1.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3b8i h LYS 141 CO 0.09 0.96 -0.01 0.82 -0.57 0.00 0.00 179.45 180.74 3b8i h ILE 142 N 0.85 1.26 -0.88 1.86 1.08 -1.22 -0.19 117.51 120.28 3b8i h ILE 142 Ca 0.16 -0.90 0.02 0.00 -0.39 0.00 0.00 64.86 63.75 3b8i h ILE 142 Cb 0.50 1.44 -0.05 0.00 -3.07 0.00 0.00 36.82 35.64 3b8i h ILE 142 CO 0.02 0.28 0.57 0.03 -0.69 0.00 0.00 178.15 178.36 3b8i h ARG 143 N 0.13 1.12 -0.91 2.37 3.08 -1.11 -0.92 114.38 118.14 3b8i h ARG 143 Ca 0.06 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3b8i h ARG 143 Cb 0.41 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3b8i h ARG 143 CO 0.01 0.74 0.52 0.00 -1.07 0.00 0.00 179.97 180.17 3b8i h ALA 144 N 1.34 1.17 -0.36 0.04 0.00 -0.12 -1.99 119.26 119.33 3b8i h ALA 144 Ca 0.33 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3b8i h ALA 144 Cb -0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 3b8i h ALA 144 CO -0.09 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.84 3b8i h ALA 145 N 1.28 0.48 -0.49 0.00 0.00 -0.49 -2.50 119.26 117.55 3b8i h ALA 145 Ca 0.32 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3b8i h ALA 145 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3b8i h ALA 145 CO -0.06 0.22 0.05 -0.07 0.00 0.00 0.00 179.25 179.39 3b8i h LEU 146 N 0.45 0.74 -1.21 0.00 3.38 -0.99 -2.44 115.31 115.23 3b8i h LEU 146 Ca 0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3b8i h LEU 146 Cb 0.41 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3b8i h LEU 146 CO 0.01 0.78 0.19 -0.08 0.09 0.00 0.00 178.44 179.43 3b8i h GLU 147 N 0.74 0.74 0.00 1.13 4.57 -1.28 -3.14 114.58 117.33 3b8i h GLU 147 Ca 0.15 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3b8i h GLU 147 Cb 0.38 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3b8i h GLU 147 CO 0.01 0.62 -0.17 0.00 -1.18 0.00 0.00 179.01 178.30 3b8i h ALA 148 N 1.48 0.91 -2.92 2.92 0.00 -0.99 -3.45 119.26 117.21 3b8i h ALA 148 Ca 0.17 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 54.40 3b8i h ALA 148 Cb 0.17 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.03 3b8i h ALA 148 CO -0.01 0.21 0.71 0.50 0.00 0.00 0.00 179.25 180.66 3b8i s ARG 149 N -3.23 4.12 -0.02 0.00 3.52 -1.00 -4.63 118.95 117.71 3b8i s ARG 149 Ca 0.05 2.41 -0.05 0.00 -0.13 0.00 0.00 55.73 58.01 3b8i s ARG 149 Cb 0.07 -2.94 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 3b8i s ARG 149 CO 0.67 -0.46 -0.09 0.28 -0.81 0.00 0.00 175.30 174.89 3b8i n VAL 150 N 0.44 0.67 -1.82 7.11 0.31 -1.26 -4.91 118.33 118.87 3b8i n VAL 150 Ca 0.01 0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 64.19 3b8i n VAL 150 Cb 0.41 -1.61 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 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 -5.20 5.55 0.20 4.52 -1.08 -1.26 -4.85 116.67 114.55 3b8i s ASP 151 Ca -0.07 1.42 0.19 0.00 -0.52 0.00 0.00 52.55 53.57 3b8i s ASP 151 Cb 0.01 -2.52 0.88 0.00 -1.46 0.00 0.00 42.92 39.83 3b8i s ASP 151 CO 0.11 -1.96 1.59 -0.81 0.52 0.00 0.00 175.17 174.62 3b8i n PRO 152 N 8.66 0.13 0.28 4.34 -0.04 -1.26 -1.04 135.00 146.07 3b8i n PRO 152 Ca 0.26 0.45 0.18 0.00 -0.04 0.00 0.00 63.50 64.35 3b8i n PRO 152 Cb 0.47 -1.79 0.71 0.00 -0.04 0.00 0.00 33.50 32.85 3b8i n PRO 152 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b8i h ALA 153 N 2.22 1.00 -2.60 0.55 0.00 -1.96 -3.44 119.26 115.03 3b8i h ALA 153 Ca 0.00 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3b8i h ALA 153 Cb 0.23 -0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.08 3b8i h ALA 153 CO 0.00 0.00 1.01 -0.11 0.00 0.00 0.00 179.25 180.15 3b8i n LEU 154 N -3.09 3.94 -4.68 0.00 7.94 -0.21 -4.73 117.00 116.17 3b8i n LEU 154 Ca 0.00 1.06 -0.39 0.00 -1.11 0.00 0.00 56.01 55.57 3b8i n LEU 154 Cb 0.29 -1.56 -0.07 0.00 0.53 0.00 0.00 43.42 42.62 3b8i n LEU 154 CO 0.27 0.15 0.20 -0.89 -1.11 0.00 0.00 177.39 176.01 3b8i s THR 155 N 1.30 5.14 -0.35 1.96 2.01 -1.05 -5.02 115.64 119.62 3b8i s THR 155 Ca 0.76 0.91 -0.08 0.00 0.31 0.00 0.00 61.69 63.59 3b8i s THR 155 Cb -0.52 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.21 3b8i s THR 155 CO 0.33 0.22 0.15 -0.63 -0.69 0.00 0.00 174.62 174.00 3b8i s ILE 156 N 1.37 4.10 -0.23 1.82 -1.09 -1.26 -1.95 121.20 123.96 3b8i s ILE 156 Ca 0.24 -1.03 -0.08 0.00 -2.23 0.00 0.00 60.65 57.55 3b8i s ILE 156 Cb -0.15 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 3b8i s ILE 156 CO 0.09 -0.20 0.08 -0.63 -1.23 0.00 0.00 174.94 173.05 3b8i s ILE 157 N 1.46 4.51 -0.15 2.92 1.01 -0.02 -1.81 121.20 129.12 3b8i s ILE 157 Ca -0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 60.65 60.26 3b8i s ILE 157 Cb -0.19 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3b8i s ILE 157 CO 0.04 0.36 0.95 0.00 0.00 0.00 0.00 174.94 176.30 3b8i s ALA 158 N 1.28 3.49 -0.06 9.38 0.00 -0.81 -1.32 121.76 133.73 3b8i s ALA 158 Ca 0.05 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.25 3b8i s ALA 158 Cb -0.15 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3b8i s ALA 158 CO 0.04 -0.70 -0.09 0.50 0.00 0.00 0.00 175.76 175.51 3b8i s ARG 159 N 2.27 2.67 0.19 0.00 3.52 0.37 -0.36 118.95 127.60 3b8i s ARG 159 Ca 0.44 -0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 55.44 3b8i s ARG 159 Cb -0.17 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 3b8i s ARG 159 CO 0.14 0.65 0.10 -0.08 -0.81 0.00 0.00 175.30 175.30 3b8i s THR 160 N -0.78 0.13 -0.34 4.11 -1.32 -0.37 -2.96 115.64 114.12 3b8i s THR 160 Ca 0.12 -1.98 -0.03 0.00 -1.21 0.00 0.00 61.69 58.59 3b8i s THR 160 Cb -0.11 -2.39 0.06 0.00 -1.51 0.00 0.00 72.50 68.56 3b8i s THR 160 CO 0.01 -0.14 0.08 0.21 -2.21 0.00 0.00 174.62 172.57 3b8i s ASN 161 N -3.15 5.07 0.00 8.08 3.84 -1.26 -2.31 114.94 125.21 3b8i s ASN 161 Ca 0.35 -1.45 0.29 0.00 0.21 0.00 0.00 52.86 52.25 3b8i s ASN 161 Cb 0.07 -1.77 1.28 0.00 -0.55 0.00 0.00 41.25 40.27 3b8i s ASN 161 CO 0.09 -0.35 1.89 0.00 -2.79 0.00 0.00 177.10 175.95 3b8i n ALA 162 N 4.65 2.71 0.09 1.71 0.00 -0.49 -3.11 120.51 126.07 3b8i n ALA 162 Ca -0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 3b8i n ALA 162 Cb 0.43 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 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 0.40 0.20 0.24 0.00 4.81 -1.69 -3.38 114.58 115.16 3b8i h GLU 163 Ca 0.00 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 3b8i h GLU 163 Cb 0.35 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3b8i h GLU 163 CO 0.00 1.10 -0.11 -0.07 -0.73 0.00 0.00 179.01 179.20 3b8i h LEU 164 N 0.08 -0.27-10.00 1.64 3.38 -1.89 -3.47 115.31 104.77 3b8i h LEU 164 Ca -0.08 -0.25 -0.51 0.00 0.09 0.00 0.00 57.88 57.12 3b8i h LEU 164 Cb 1.79 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.56 3b8i h LEU 164 CO 0.17 0.17 -0.46 0.27 0.09 0.00 0.00 178.44 178.68 3b8i s ILE 165 N -4.21 3.08 0.67 1.22 -4.36 -1.25 -5.12 121.20 111.23 3b8i s ILE 165 Ca -0.14 -1.48 -0.11 0.00 -0.26 0.00 0.00 60.65 58.67 3b8i s ILE 165 Cb 0.02 -3.07 -0.01 0.00 1.25 0.00 0.00 42.46 40.65 3b8i s ILE 165 CO 0.53 -0.12 1.05 -1.81 0.24 0.00 0.00 174.94 174.83 3b8i s ASP 166 N -3.98 5.61 0.39 4.36 1.11 -1.26 -4.82 116.67 118.08 3b8i s ASP 166 Ca 0.42 1.56 0.09 0.00 0.18 0.00 0.00 52.55 54.79 3b8i s ASP 166 Cb -0.03 -2.48 0.85 0.00 1.07 0.00 0.00 42.92 42.32 3b8i s ASP 166 CO 0.26 -1.28 1.97 0.58 1.18 0.00 0.00 175.17 177.87 3b8i h VAL 167 N -0.61 0.98 -0.80 -1.27 2.07 -2.00 -1.02 116.25 113.61 3b8i h VAL 167 Ca -0.44 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3b8i h VAL 167 Cb 1.21 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3b8i h VAL 167 CO 0.58 0.11 0.52 -2.24 0.02 0.00 0.00 177.57 176.57 3b8i h ASP 168 N 0.62 0.92 0.53 0.57 2.03 -1.98 -0.83 116.42 118.29 3b8i h ASP 168 Ca 0.29 -0.03 -0.23 0.00 -0.73 0.00 0.00 57.03 56.33 3b8i h ASP 168 Cb 0.34 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 38.60 3b8i h ASP 168 CO -0.09 0.68 -1.00 0.00 -1.03 0.00 0.00 179.24 177.79 3b8i h ALA 169 N 1.49 0.35 -0.61 4.15 0.00 -1.57 -2.29 119.26 120.79 3b8i h ALA 169 Ca 0.29 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3b8i h ALA 169 Cb -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3b8i h ALA 169 CO -0.06 0.91 0.03 0.28 0.00 0.00 0.00 179.25 180.42 3b8i h VAL 170 N 0.13 1.26 -0.04 0.00 2.07 -1.01 -0.77 116.25 117.89 3b8i h VAL 170 Ca -0.08 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 3b8i h VAL 170 Cb 1.67 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3b8i h VAL 170 CO 0.16 0.40 -0.01 0.40 0.02 0.00 0.00 177.57 178.54 3b8i h ILE 171 N 0.95 1.31 -0.15 4.57 2.04 -1.18 -0.12 117.51 124.93 3b8i h ILE 171 Ca 0.18 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3b8i h ILE 171 Cb 0.50 1.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 3b8i h ILE 171 CO 0.02 0.26 -0.28 -0.61 0.00 0.00 0.00 178.15 177.54 3b8i h GLN 172 N -0.29 -0.33 0.24 2.37 4.15 -1.35 0.27 115.11 120.16 3b8i h GLN 172 Ca 0.01 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3b8i h GLN 172 Cb 0.43 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.19 3b8i h GLN 172 CO 0.01 -0.22 -0.11 0.00 -1.93 0.00 0.00 178.83 176.57 3b8i h ARG 173 N -0.34 -0.31 -0.31 1.69 3.08 -1.12 -1.28 114.38 115.79 3b8i h ARG 173 Ca 0.11 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3b8i h ARG 173 Cb 0.50 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3b8i h ARG 173 CO -0.34 -0.05 0.10 1.79 -1.07 0.00 0.00 179.97 180.39 3b8i h THR 174 N -0.54 1.14 -0.50 2.04 1.35 -0.97 -0.28 112.91 115.16 3b8i h THR 174 Ca -0.03 -0.46 -0.08 0.00 -0.55 0.00 0.00 66.41 65.29 3b8i h THR 174 Cb 0.40 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 3b8i h THR 174 CO 0.05 0.17 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.41 3b8i h LEU 175 N 0.44 0.87 -1.50 3.87 3.38 -0.38 -1.90 115.31 120.09 3b8i h LEU 175 Ca 0.11 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3b8i h LEU 175 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3b8i h LEU 175 CO -0.01 0.97 0.20 0.00 0.09 0.00 0.00 178.44 179.69 3b8i h ALA 176 N 0.93 1.62 0.05 1.53 0.00 -0.25 -1.41 119.26 121.73 3b8i h ALA 176 Ca 0.14 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 3b8i h ALA 176 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3b8i h ALA 176 CO 0.03 0.32 -1.06 1.88 0.00 0.00 0.00 179.25 180.41 3b8i h TYR 177 N 0.54 0.28 -0.41 0.00 0.05 -0.99 -1.53 116.97 114.92 3b8i h TYR 177 Ca 0.14 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 3b8i h TYR 177 Cb 0.04 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3b8i h TYR 177 CO 0.00 1.10 0.13 0.37 -1.05 0.00 0.00 178.16 178.71 3b8i h GLN 178 N 0.06 0.63 -0.02 4.88 4.15 -0.93 -1.89 115.11 122.00 3b8i h GLN 178 Ca -0.07 -0.14 -0.09 0.00 0.77 0.00 0.00 58.65 59.12 3b8i h GLN 178 Cb 1.77 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.36 3b8i h GLN 178 CO 0.16 0.63 -0.44 1.49 -1.93 0.00 0.00 178.83 178.74 3b8i h GLU 179 N 0.52 0.04 0.00 1.69 4.57 -1.23 -2.07 114.58 118.09 3b8i h GLU 179 Ca 0.13 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3b8i h GLU 179 Cb 0.26 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3b8i h GLU 179 CO -0.00 0.47 0.00 0.00 -1.18 0.00 0.00 179.01 178.29 3b8i h ALA 180 N 1.53 1.00 0.00 2.92 0.00 -1.12 -3.47 119.26 120.13 3b8i h ALA 180 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3b8i h ALA 180 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3b8i h ALA 180 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3b8i n GLY 181 N -0.18 1.22 3.62 0.00 0.00 -0.78 -4.70 105.19 104.37 3b8i n GLY 181 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.67 0.10 0.20 4.61 0.00 -0.73 -4.90 120.51 119.12 3b8i n ALA 182 Ca 0.00 0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.94 3b8i n ALA 182 Cb 0.00 -2.11 0.28 0.00 0.00 0.00 0.00 19.45 17.63 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 2.96 0.00 -5.00 0.00 3.32 -1.71 -3.46 116.42 112.53 3b8i h ASP 183 Ca -0.43 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.66 3b8i h ASP 183 Cb 1.32 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.78 3b8i h ASP 183 CO 0.67 0.24 0.24 -0.83 -1.72 0.00 0.00 179.24 177.84 3b8i s GLY 184 N -4.31 -0.34 -0.09 2.75 0.00 -1.24 -4.04 107.32 100.05 3b8i s GLY 184 Ca 0.03 0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.89 3b8i s GLY 184 CO 0.67 0.04 -0.24 -0.42 0.00 0.00 0.00 173.10 173.14 3b8i s ILE 185 N -3.79 2.08 -0.13 0.90 -1.09 -0.54 -1.92 121.20 116.70 3b8i s ILE 185 Ca 0.07 -1.02 -0.02 0.00 -2.23 0.00 0.00 60.65 57.44 3b8i s ILE 185 Cb -0.03 -1.78 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 3b8i s ILE 185 CO -0.02 0.56 -0.06 0.00 -1.23 0.00 0.00 174.94 174.19 3b8i s LEU 187 N 0.11 1.94 0.19 0.00 1.43 0.67 -1.23 118.68 121.79 3b8i s LEU 187 Ca -0.02 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 3b8i s LEU 187 Cb -0.14 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3b8i s LEU 187 CO 0.03 0.17 -0.11 0.54 0.23 0.00 0.00 176.35 177.21 3b8i s VAL 188 N 0.06 3.10 0.00 -1.59 0.11 -0.98 -1.17 120.40 119.93 3b8i s VAL 188 Ca -0.06 -1.73 0.00 0.00 -2.93 0.00 0.00 61.98 57.27 3b8i s VAL 188 Cb -0.13 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 3b8i s VAL 188 CO 0.03 -0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 3b8i n GLY 189 N 0.00 0.57 3.72 6.54 0.00 -1.25 -1.39 105.19 113.37 3b8i n GLY 189 Ca -0.11 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 4.43 -0.10 1.61 1.01 -1.26 -3.25 120.40 120.85 3b8i s VAL 190 Ca 0.00 1.84 -0.24 0.00 0.00 0.00 0.00 61.98 63.58 3b8i s VAL 190 Cb 0.00 -4.18 -0.21 0.00 0.00 0.00 0.00 36.38 32.00 3b8i s VAL 190 CO 0.00 0.19 0.82 0.03 0.00 0.00 0.00 175.10 176.15 3b8i h ARG 191 N 6.33 -0.04 0.00 2.72 3.08 -1.95 -3.50 114.38 121.03 3b8i h ARG 191 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3b8i h ARG 191 Cb 1.22 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3b8i h ARG 191 CO 0.76 0.66 0.00 -0.40 -1.07 0.00 0.00 179.97 179.91 3b8i n ASP 192 N -4.73 0.00 0.08 7.04 5.68 -1.26 -4.75 116.55 118.60 3b8i n ASP 192 Ca -0.08 -0.99 -0.04 0.00 -0.50 0.00 0.00 54.79 53.17 3b8i n ASP 192 Cb 0.35 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.49 3b8i n ASP 192 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 3b8i h PHE 193 N 0.99 0.35 -0.35 2.11 0.04 -1.97 -2.19 116.94 115.91 3b8i h PHE 193 Ca 0.00 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 3b8i h PHE 193 Cb 0.00 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3b8i h PHE 193 CO 0.00 0.74 0.18 0.00 -0.60 0.00 0.00 178.31 178.62 3b8i h ALA 194 N 1.24 0.45 -0.01 2.45 0.00 -1.97 0.26 119.26 121.69 3b8i h ALA 194 Ca 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3b8i h ALA 194 Cb 0.98 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3b8i h ALA 194 CO 0.08 0.00 -0.16 1.25 0.00 0.00 0.00 179.25 180.42 3b8i h HIS 195 N 0.43 -0.42 -0.24 0.00 -0.00 -1.95 -2.21 115.15 110.75 3b8i h HIS 195 Ca 0.12 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 3b8i h HIS 195 Cb 0.10 0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 3b8i h HIS 195 CO -0.02 -0.24 0.15 1.25 -0.00 0.00 0.00 177.93 179.07 3b8i h LEU 196 N -0.27 0.25 -0.93 0.26 5.85 -1.06 -2.76 115.31 116.65 3b8i h LEU 196 Ca 0.05 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3b8i h LEU 196 Cb 0.34 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3b8i h LEU 196 CO -0.16 0.18 0.59 -0.33 -0.34 0.00 0.00 178.44 178.38 3b8i h GLU 197 N 0.30 1.05 -0.68 1.25 5.08 -0.41 0.46 114.58 121.62 3b8i h GLU 197 Ca 0.09 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3b8i h GLU 197 Cb -0.02 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 3b8i h GLU 197 CO -0.03 0.69 0.45 0.00 -1.00 0.00 0.00 179.01 179.12 3b8i h ALA 198 N 1.43 1.62 0.15 3.43 0.00 -1.11 -1.98 119.26 122.79 3b8i h ALA 198 Ca 0.40 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.92 3b8i h ALA 198 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3b8i h ALA 198 CO -0.17 0.31 -1.90 0.82 0.00 0.00 0.00 179.25 178.31 3b8i h ILE 199 N 0.82 0.75 0.00 0.00 2.04 -1.16 -3.35 117.51 116.61 3b8i h ILE 199 Ca 0.27 -2.41 -0.01 0.00 1.00 0.00 0.00 64.86 63.71 3b8i h ILE 199 Cb 0.06 2.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3b8i h ILE 199 CO -0.08 0.88 -0.05 0.00 0.00 0.00 0.00 178.15 178.91 3b8i h ALA 200 N 0.10 1.14 -0.58 1.87 0.00 -0.10 -3.34 119.26 118.35 3b8i h ALA 200 Ca -0.39 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.56 3b8i h ALA 200 Cb 2.06 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.78 3b8i h ALA 200 CO 0.12 0.06 0.22 1.49 0.00 0.00 0.00 179.25 181.15 3b8i h GLU 201 N 0.00 0.40 -0.57 0.00 4.81 -1.49 -2.47 114.58 115.26 3b8i h GLU 201 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3b8i h GLU 201 Cb 0.25 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3b8i h GLU 201 CO 0.01 0.26 0.00 0.72 -0.73 0.00 0.00 179.01 179.27 3b8i n HIS 202 N -4.98 1.19 -4.13 0.92 8.25 -1.25 -4.95 115.22 110.26 3b8i n HIS 202 Ca 0.08 -0.61 -0.36 0.00 -0.26 0.00 0.00 57.72 56.57 3b8i n HIS 202 Cb 0.25 -0.18 -0.08 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.69 3.95 0.00 2.41 1.02 -0.93 -4.98 118.68 118.45 3b8i s LEU 203 Ca 0.45 0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.89 3b8i s LEU 203 Cb 0.29 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.56 3b8i s LEU 203 CO 0.23 0.38 0.73 0.00 0.02 0.00 0.00 176.35 177.71 3b8i n HIS 204 N 2.17 0.00 -4.16 0.29 1.44 -1.26 -5.01 115.22 108.70 3b8i n HIS 204 Ca -0.19 -0.27 -0.27 0.00 -2.01 0.00 0.00 57.72 54.98 3b8i n HIS 204 Cb 0.54 -0.03 -0.07 0.00 0.12 0.00 0.00 29.99 30.56 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 -0.53 4.01 0.78 0.61 -4.36 -1.26 -5.10 121.20 115.35 3b8i s ILE 205 Ca 0.00 -1.27 -0.15 0.00 -0.26 0.00 0.00 60.65 58.98 3b8i s ILE 205 Cb 0.00 -3.02 0.04 0.00 1.25 0.00 0.00 42.46 40.73 3b8i s ILE 205 CO 0.00 -0.09 0.96 -0.81 0.24 0.00 0.00 174.94 175.24 3b8i n PRO 206 N -0.14 0.26 -4.74 0.37 -0.04 -1.26 -4.70 135.00 124.76 3b8i n PRO 206 Ca -0.09 0.15 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 3b8i n PRO 206 Cb 0.55 -2.23 -0.13 0.00 -0.04 0.00 0.00 33.50 31.65 3b8i n PRO 206 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3b8i s LEU 207 N -3.62 2.59 -0.06 1.53 1.43 -0.43 -1.47 118.68 118.65 3b8i s LEU 207 Ca 0.71 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.47 3b8i s LEU 207 Cb -0.31 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 3b8i s LEU 207 CO 0.53 0.27 -0.21 -0.32 0.23 0.00 0.00 176.35 176.86 3b8i s MET 208 N -1.27 2.28 -0.13 1.70 -2.45 0.17 -1.14 119.30 118.45 3b8i s MET 208 Ca 0.14 -0.75 0.03 0.00 -1.25 0.00 0.00 55.69 53.85 3b8i s MET 208 Cb -0.10 -1.89 0.01 0.00 1.25 0.00 0.00 34.83 34.09 3b8i s MET 208 CO 0.04 0.27 -0.22 -0.51 1.05 0.00 0.00 175.02 175.65 3b8i s LEU 209 N 0.06 2.15 -0.48 4.11 1.02 -0.15 -0.24 118.68 125.14 3b8i s LEU 209 Ca -0.07 -0.58 -0.11 0.00 0.02 0.00 0.00 54.13 53.39 3b8i s LEU 209 Cb -0.14 -1.45 0.12 0.00 0.02 0.00 0.00 46.19 44.74 3b8i s LEU 209 CO 0.04 0.10 0.37 -0.69 0.02 0.00 0.00 176.35 176.19 3b8i s VAL 210 N 0.72 4.43 -0.05 -1.59 1.01 -0.31 -0.65 120.40 123.94 3b8i s VAL 210 Ca -0.09 -1.70 0.16 0.00 0.00 0.00 0.00 61.98 60.35 3b8i s VAL 210 Cb -0.16 -3.89 -0.25 0.00 0.00 0.00 0.00 36.38 32.09 3b8i s VAL 210 CO 0.00 -0.78 0.30 0.35 0.00 0.00 0.00 175.10 174.98 3b8i n THR 211 N 4.98 0.23 -3.77 3.92 -2.24 -0.58 -3.95 114.28 112.87 3b8i n THR 211 Ca -0.09 -0.45 -0.23 0.00 -2.27 0.00 0.00 64.05 61.01 3b8i n THR 211 Cb 0.41 -0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 3b8i n THR 211 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3b8i n TYR 212 N -2.19 -1.83 -2.38 4.78 4.01 -1.20 -1.74 117.16 116.60 3b8i n TYR 212 Ca -0.08 0.78 -0.19 0.00 -0.16 0.00 0.00 57.90 58.26 3b8i n TYR 212 Cb 0.56 -4.12 -0.01 0.00 -0.31 0.00 0.00 39.34 35.46 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 -1.71 -0.42 3.49 2.72 0.00 -1.24 -4.93 105.19 103.11 3b8i n GLY 213 Ca -0.29 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.93 2.14 0.16 1.61 2.85 -0.71 -4.85 115.26 114.53 3b8i n ASN 214 Ca -0.22 0.60 0.13 0.00 -0.11 0.00 0.00 54.58 54.98 3b8i n ASN 214 Cb 0.67 -1.21 0.56 0.00 1.24 0.00 0.00 39.78 41.04 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 10.87 0.00 -0.42 1.20 0.13 -1.91 -2.84 132.00 139.04 3b8i h PRO 215 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 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 1.01 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.82 3b8i n GLN 216 N -2.40 1.96 -2.61 0.86 6.02 -1.26 -4.01 117.38 115.94 3b8i n GLN 216 Ca 0.01 -1.49 -0.13 0.00 -0.01 0.00 0.00 57.00 55.37 3b8i n GLN 216 Cb 0.20 -1.32 0.02 0.00 1.02 0.00 0.00 30.24 30.16 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 0.72 2.34 -0.71 1.08 4.77 -1.07 -4.11 117.00 120.02 3b8i n LEU 217 Ca 0.14 -4.08 0.08 0.00 -0.03 0.00 0.00 56.01 52.12 3b8i n LEU 217 Cb 0.35 0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.73 3b8i n LEU 217 CO 0.09 1.72 0.55 0.54 -1.33 0.00 0.00 177.39 178.96 3b8i n ARG 218 N -0.21 1.58 -3.04 3.23 5.12 -1.26 -4.85 116.66 117.24 3b8i n ARG 218 Ca 0.17 -1.64 -0.45 0.00 -1.93 0.00 0.00 57.85 54.00 3b8i n ARG 218 Cb 0.78 -1.33 -0.02 0.00 -1.16 0.00 0.00 32.46 30.73 3b8i n ARG 218 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3b8i s ASP 219 N -1.29 6.79 0.27 0.55 -1.08 -1.26 -4.91 116.67 115.74 3b8i s ASP 219 Ca 0.22 -2.47 -0.03 0.00 -0.52 0.00 0.00 52.55 49.75 3b8i s ASP 219 Cb 0.14 -2.35 0.34 0.00 -1.46 0.00 0.00 42.92 39.60 3b8i s ASP 219 CO 0.21 -0.85 1.86 0.44 0.52 0.00 0.00 175.17 177.35 3b8i h ASP 220 N 8.15 0.94 -0.71 -0.34 5.19 -1.99 0.52 116.42 128.18 3b8i h ASP 220 Ca 0.18 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3b8i h ASP 220 Cb 0.99 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.22 3b8i h ASP 220 CO 1.05 0.81 0.39 0.00 -3.12 0.00 0.00 179.24 178.37 3b8i h ALA 221 N 1.34 0.90 -0.36 3.45 0.00 -1.98 0.36 119.26 122.97 3b8i h ALA 221 Ca 0.25 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3b8i h ALA 221 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3b8i h ALA 221 CO -0.03 0.41 -0.20 -0.09 0.00 0.00 0.00 179.25 179.35 3b8i h ARG 222 N 0.97 0.77 0.10 0.00 2.43 -1.80 -2.15 114.38 114.70 3b8i h ARG 222 Ca 0.25 -0.35 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3b8i h ARG 222 Cb 0.03 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3b8i h ARG 222 CO -0.04 0.97 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.98 3b8i h LEU 223 N 0.56 -0.98 -1.03 3.80 3.38 -0.52 -2.51 115.31 118.01 3b8i h LEU 223 Ca 0.08 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3b8i h LEU 223 Cb 0.75 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 3b8i h LEU 223 CO 0.06 -0.42 0.65 0.00 0.09 0.00 0.00 178.44 178.82 3b8i h ALA 224 N 0.09 1.35 0.00 1.53 0.00 -0.85 -0.61 119.26 120.77 3b8i h ALA 224 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3b8i h ALA 224 Cb 0.59 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3b8i h ALA 224 CO -0.21 0.55 0.00 0.07 0.00 0.00 0.00 179.25 179.66 3b8i h ARG 225 N 1.26 0.00 -0.20 0.00 0.11 -1.21 -1.17 114.38 113.16 3b8i h ARG 225 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 3b8i h ARG 225 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 3b8i h ARG 225 CO -0.12 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.23 3b8i n LEU 226 N -2.31 1.36 0.00 0.08 4.77 -0.28 -4.93 117.00 115.69 3b8i n LEU 226 Ca 0.04 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 3b8i n LEU 226 Cb 0.38 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3b8i n LEU 226 CO 0.28 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3b8i n GLY 227 N 0.98 0.64 3.71 -0.72 0.00 -0.44 -4.86 105.19 104.50 3b8i n GLY 227 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3b8i n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8i s VAL 228 N -2.46 3.78 -0.01 1.61 1.01 -0.95 -1.32 120.40 122.07 3b8i s VAL 228 Ca 0.00 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.25 3b8i s VAL 228 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3b8i s VAL 228 CO 0.00 0.07 0.05 0.54 0.00 0.00 0.00 175.10 175.76 3b8i n ARG 229 N 4.36 0.97 -4.34 2.72 5.12 -0.29 -3.92 116.66 121.27 3b8i n ARG 229 Ca 0.11 -0.02 -0.21 0.00 -1.93 0.00 0.00 57.85 55.80 3b8i n ARG 229 Cb 0.45 -1.07 -0.16 0.00 -1.16 0.00 0.00 32.46 30.51 3b8i n ARG 229 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3b8i s VAL 230 N -2.17 0.75 -0.10 1.55 1.01 -1.12 -1.26 120.40 119.05 3b8i s VAL 230 Ca -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3b8i s VAL 230 Cb 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.70 3b8i s VAL 230 CO 0.12 0.26 -0.21 -0.69 0.00 0.00 0.00 175.10 174.58 3b8i s VAL 231 N 0.57 1.83 -0.28 2.92 1.01 0.10 -0.98 120.40 125.57 3b8i s VAL 231 Ca -0.09 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 3b8i s VAL 231 Cb -0.12 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.68 3b8i s VAL 231 CO 0.01 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 174.94 3b8i s VAL 232 N 0.52 3.33 -0.90 2.92 1.01 0.17 -1.24 120.40 126.21 3b8i s VAL 232 Ca -0.15 -1.02 0.24 0.00 0.00 0.00 0.00 61.98 61.04 3b8i s VAL 232 Cb -0.17 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.36 3b8i s VAL 232 CO 0.06 0.05 1.20 0.59 0.00 0.00 0.00 175.10 176.99 3b8i n ASN 233 N 4.73 0.65 0.00 3.32 3.02 -1.26 -1.52 115.26 124.20 3b8i n ASN 233 Ca -0.15 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 3b8i n ASN 233 Cb 0.46 0.55 0.00 0.00 -0.61 0.00 0.00 39.78 40.18 3b8i n ASN 233 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b8i n GLY 234 N 1.46 0.37 1.69 7.41 0.00 -1.26 -3.61 105.19 111.25 3b8i n GLY 234 Ca 0.04 -2.27 -0.14 0.00 0.00 0.00 0.00 46.02 43.65 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 0.72 1.90 -0.38 1.61 8.25 -1.26 -4.61 115.22 121.45 3b8i n HIS 235 Ca 0.00 -1.99 0.30 0.00 -0.26 0.00 0.00 57.72 55.77 3b8i n HIS 235 Cb 0.00 -0.31 0.59 0.00 1.12 0.00 0.00 29.99 31.40 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 1.87 2.55 0.00 -1.41 0.00 -2.00 0.21 119.26 120.48 3b8i h ALA 236 Ca 0.23 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3b8i h ALA 236 Cb 1.39 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 3b8i h ALA 236 CO 0.52 -1.04 -0.16 0.00 0.00 0.00 0.00 179.25 178.57 3b8i h ALA 237 N 1.58 1.53 0.15 0.00 0.00 -1.95 -1.04 119.26 119.53 3b8i h ALA 237 Ca 0.69 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 55.22 3b8i h ALA 237 Cb 2.04 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.83 3b8i h ALA 237 CO -0.31 0.20 -0.97 -0.92 0.00 0.00 0.00 179.25 177.25 3b8i h TYR 238 N 0.00 0.70 -0.47 0.00 3.20 -0.96 -2.99 116.97 116.44 3b8i h TYR 238 Ca -0.00 -0.48 0.02 0.00 3.14 0.00 0.00 58.73 61.40 3b8i h TYR 238 Cb 0.33 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3b8i h TYR 238 CO 0.00 1.36 0.31 0.74 -1.64 0.00 0.00 178.16 178.94 3b8i h PHE 239 N -0.16 0.55 -0.72 -3.82 0.04 -1.24 -2.15 116.94 109.44 3b8i h PHE 239 Ca -0.16 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.56 3b8i h PHE 239 Cb 1.74 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 39.67 3b8i h PHE 239 CO 0.17 0.33 0.22 0.00 -0.60 0.00 0.00 178.31 178.43 3b8i h ALA 240 N 1.72 0.95 -0.67 2.45 0.00 -1.27 -0.86 119.26 121.58 3b8i h ALA 240 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3b8i h ALA 240 Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3b8i h ALA 240 CO -0.04 0.63 0.32 0.00 0.00 0.00 0.00 179.25 180.16 3b8i h ALA 241 N 1.11 0.86 -0.20 0.00 0.00 -1.30 -1.60 119.26 118.13 3b8i h ALA 241 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3b8i h ALA 241 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3b8i h ALA 241 CO -0.01 0.43 0.09 0.82 0.00 0.00 0.00 179.25 180.58 3b8i h ILE 242 N 0.93 1.15 -0.46 0.00 1.08 -1.07 -1.70 117.51 117.45 3b8i h ILE 242 Ca 0.23 -0.46 0.05 0.00 -0.39 0.00 0.00 64.86 64.29 3b8i h ILE 242 Cb 0.12 1.08 -0.05 0.00 -3.07 0.00 0.00 36.82 34.91 3b8i h ILE 242 CO -0.03 0.15 0.20 0.50 -0.69 0.00 0.00 178.15 178.28 3b8i h LYS 243 N 0.19 0.39 -0.85 2.37 3.64 -1.14 -1.31 116.57 119.85 3b8i h LYS 243 Ca 0.07 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3b8i h LYS 243 Cb 0.16 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 3b8i h LYS 243 CO -0.01 0.26 0.56 0.00 -2.27 0.00 0.00 179.45 177.99 3b8i h ALA 244 N 1.27 1.10 -0.34 5.00 0.00 -1.10 0.85 119.26 126.03 3b8i h ALA 244 Ca 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3b8i h ALA 244 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3b8i h ALA 244 CO -0.18 0.45 0.10 1.15 0.00 0.00 0.00 179.25 180.76 3b8i h THR 245 N 1.12 1.22 0.18 0.00 2.02 -0.99 -2.10 112.91 114.35 3b8i h THR 245 Ca 0.32 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3b8i h THR 245 Cb -0.08 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3b8i h THR 245 CO -0.09 0.24 -0.08 0.22 0.37 0.00 0.00 175.52 176.18 3b8i h TYR 246 N 0.40 -0.22 -0.95 3.16 3.20 -0.76 -2.26 116.97 119.54 3b8i h TYR 246 Ca 0.11 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.09 3b8i h TYR 246 Cb 0.28 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.54 3b8i h TYR 246 CO 0.01 -0.12 0.58 -0.44 -1.64 0.00 0.00 178.16 176.55 3b8i h ASP 247 N -0.25 0.85 -0.25 -2.11 3.32 -0.81 0.32 116.42 117.49 3b8i h ASP 247 Ca -0.02 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3b8i h ASP 247 Cb 0.20 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3b8i h ASP 247 CO 0.04 0.46 -0.09 0.00 -1.72 0.00 0.00 179.24 177.93 3b8i h LEU 249 N 0.23 0.67 -1.18 0.00 3.38 -0.87 -1.70 115.31 115.84 3b8i h LEU 249 Ca 0.06 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3b8i h LEU 249 Cb 0.57 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3b8i h LEU 249 CO 0.03 1.12 0.13 -0.09 0.09 0.00 0.00 178.44 179.72 3b8i h ARG 250 N 0.44 0.70 -0.10 1.13 2.43 -0.34 -1.63 114.38 117.02 3b8i h ARG 250 Ca -0.00 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 3b8i h ARG 250 Cb 1.17 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3b8i h ARG 250 CO 0.12 0.63 -0.29 1.49 -1.51 0.00 0.00 179.97 180.40 3b8i h GLU 251 N 0.69 0.38 -0.11 0.20 4.57 -1.21 -0.79 114.58 118.30 3b8i h GLU 251 Ca 0.16 -0.27 0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3b8i h GLU 251 Cb 0.24 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3b8i h GLU 251 CO -0.01 0.89 0.15 0.93 -1.18 0.00 0.00 179.01 179.79 3b8i h GLU 252 N -0.07 0.00 0.02 1.92 5.08 -0.91 -2.76 114.58 117.87 3b8i h GLU 252 Ca -0.01 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 3b8i h GLU 252 Cb 0.91 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 3b8i h GLU 252 CO 0.06 0.00 -2.27 -2.13 -1.00 0.00 0.00 179.01 173.67 3b8i n ARG 253 N -3.67 0.68 -2.00 2.33 3.00 -0.65 -5.00 116.66 111.34 3b8i n ARG 253 Ca -0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 3b8i n ARG 253 Cb 0.25 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 31.12 3b8i n ARG 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3b8i n GLY 254 N 1.94 0.40 0.00 5.14 0.00 -0.33 -5.10 105.19 107.24 3b8i n GLY 254 Ca -0.35 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3b8i n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8i n ALA 255 N -1.05 0.00 -0.13 4.61 0.00 -1.02 -5.06 120.51 117.87 3b8i n ALA 255 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3b8i n ALA 255 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3b8i n ALA 255 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3b8i n LEU 260 N 0.00 -0.85 -4.56 0.00 4.32 -1.26 -4.89 117.00 109.76 3b8i n LEU 260 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 3b8i n LEU 260 Cb 0.00 -0.08 0.23 0.00 -1.62 0.00 0.00 43.42 41.95 3b8i n LEU 260 CO 0.00 0.00 0.58 0.42 -1.22 0.00 0.00 177.39 177.17 3b8i s THR 261 N -0.17 1.73 0.18 -5.08 -4.23 -1.26 -4.77 115.64 102.04 3b8i s THR 261 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 3b8i s THR 261 Cb 0.00 -2.37 0.10 0.00 1.34 0.00 0.00 72.50 71.57 3b8i s THR 261 CO 0.00 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.83 3b8i h ALA 262 N -2.51 0.85 -0.08 3.99 0.00 -1.99 -0.37 119.26 119.15 3b8i h ALA 262 Ca -0.51 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.07 3b8i h ALA 262 Cb 1.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3b8i h ALA 262 CO 0.43 0.46 -0.67 0.66 0.00 0.00 0.00 179.25 180.13 3b8i h SER 263 N 0.92 0.40 -0.65 0.00 4.64 -1.94 -1.43 113.55 115.50 3b8i h SER 263 Ca 0.22 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 61.22 3b8i h SER 263 Cb 0.20 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 3b8i h SER 263 CO -0.02 0.95 0.13 -0.33 -0.87 0.00 0.00 176.83 176.69 3b8i h GLU 264 N 0.24 1.07 -0.13 4.77 5.08 -1.90 -0.79 114.58 122.92 3b8i h GLU 264 Ca -0.02 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3b8i h GLU 264 Cb 1.22 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3b8i h GLU 264 CO 0.11 0.97 0.01 1.25 -1.00 0.00 0.00 179.01 180.35 3b8i h LEU 265 N 1.01 0.22 -0.45 1.33 5.85 -0.82 -0.40 115.31 122.04 3b8i h LEU 265 Ca 0.21 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3b8i h LEU 265 Cb 0.40 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3b8i h LEU 265 CO 0.01 0.45 0.24 0.28 -0.34 0.00 0.00 178.44 179.08 3b8i h SER 266 N -0.02 0.37 -0.54 1.25 0.02 -1.24 -2.48 113.55 110.90 3b8i h SER 266 Ca 0.04 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3b8i h SER 266 Cb 0.33 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 3b8i h SER 266 CO 0.00 0.26 0.24 0.50 -1.14 0.00 0.00 176.83 176.70 3b8i h LYS 267 N 0.48 0.45 -0.95 3.45 3.64 -1.00 -2.70 116.57 119.94 3b8i h LYS 267 Ca 0.19 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 3b8i h LYS 267 Cb 0.07 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 3b8i h LYS 267 CO -0.12 0.30 0.61 -0.22 -2.27 0.00 0.00 179.45 177.74 3b8i h LYS 268 N 0.46 0.91 -0.04 1.90 3.64 -0.60 -2.15 116.57 120.69 3b8i h LYS 268 Ca 0.25 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3b8i h LYS 268 Cb 0.23 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3b8i h LYS 268 CO -0.21 0.60 0.00 0.66 -2.27 0.00 0.00 179.45 178.23 3b8i n TYR 269 N -4.57 0.06 1.26 1.91 4.01 -1.02 -2.65 117.16 116.16 3b8i n TYR 269 Ca 0.17 -0.03 0.13 0.00 -0.16 0.00 0.00 57.90 58.01 3b8i n TYR 269 Cb 0.34 0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.70 3b8i n TYR 269 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3b8i n THR 270 N -0.50 0.00 -3.75 -0.72 -2.24 -0.81 -4.79 114.28 101.48 3b8i n THR 270 Ca 0.11 -0.23 -0.28 0.00 -2.27 0.00 0.00 64.05 61.38 3b8i n THR 270 Cb 0.10 0.70 0.03 0.00 -2.10 0.00 0.00 70.33 69.06 3b8i n THR 270 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3b8i n PHE 271 N -0.04 -1.84 -0.08 4.78 0.99 -1.09 -4.40 117.46 115.79 3b8i n PHE 271 Ca 0.14 0.58 0.07 0.00 -0.00 0.00 0.00 57.45 58.24 3b8i n PHE 271 Cb 0.40 -3.65 0.42 0.00 -1.00 0.00 0.00 39.48 35.65 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 -1.87 0.56 -0.44 -1.08 0.13 -1.80 -1.65 132.00 125.86 3b8i h PRO 272 Ca -0.65 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.33 3b8i h PRO 272 Cb 1.36 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3b8i h PRO 272 CO 0.53 0.37 -0.19 0.93 -0.23 0.00 0.00 178.00 179.42 3b8i h GLU 273 N 0.58 0.86 -0.11 0.86 5.08 -1.94 0.08 114.58 119.99 3b8i h GLU 273 Ca 0.23 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3b8i h GLU 273 Cb 0.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3b8i h GLU 273 CO -0.06 0.98 0.07 1.49 -1.00 0.00 0.00 179.01 180.48 3b8i h GLU 274 N 0.76 0.15 -0.53 2.33 4.81 -1.68 0.50 114.58 120.92 3b8i h GLU 274 Ca 0.11 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3b8i h GLU 274 Cb 0.72 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3b8i h GLU 274 CO 0.06 0.15 0.04 1.88 -0.73 0.00 0.00 179.01 180.40 3b8i h TYR 275 N 0.12 0.93 -0.47 0.92 0.05 -1.39 -1.62 116.97 115.50 3b8i h TYR 275 Ca 0.04 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.65 3b8i h TYR 275 Cb 0.03 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 3b8i h TYR 275 CO -0.06 0.83 0.11 0.37 -1.05 0.00 0.00 178.16 178.36 3b8i h GLN 276 N 0.82 0.76 -0.87 4.88 4.15 -0.93 -1.60 115.11 122.32 3b8i h GLN 276 Ca 0.16 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 3b8i h GLN 276 Cb 0.44 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 3b8i h GLN 276 CO 0.02 0.75 0.50 0.00 -1.93 0.00 0.00 178.83 178.16 3b8i h ALA 277 N 0.98 1.11 0.10 3.38 0.00 -0.60 -2.21 119.26 122.03 3b8i h ALA 277 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3b8i h ALA 277 Cb 0.33 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3b8i h ALA 277 CO 0.00 0.60 -0.05 -1.49 0.00 0.00 0.00 179.25 178.31 3b8i h TRP 278 N 1.21 -0.13 -0.76 0.00 6.55 -1.17 -0.14 115.95 121.51 3b8i h TRP 278 Ca 0.31 -0.00 0.12 0.00 0.95 0.00 0.00 58.89 60.26 3b8i h TRP 278 Cb -0.01 0.04 -0.08 0.00 -0.86 0.00 0.00 29.16 28.25 3b8i h TRP 278 CO 0.00 -0.03 0.37 0.00 -1.05 0.00 0.00 178.44 177.73 3b8i h ALA 279 N 0.70 1.08 -0.20 1.49 0.00 -1.23 0.24 119.26 121.33 3b8i h ALA 279 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3b8i h ALA 279 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3b8i h ALA 279 CO 0.02 -0.09 0.12 -0.09 0.00 0.00 0.00 179.25 179.21 3b8i h ARG 280 N 0.58 0.28 0.02 0.00 2.43 -1.30 -1.21 114.38 115.18 3b8i h ARG 280 Ca 0.39 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.31 3b8i h ARG 280 Cb 0.49 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3b8i h ARG 280 CO -0.32 0.25 -0.97 0.22 -1.51 0.00 0.00 179.97 177.64 3b8i h ASP 281 N 0.23 0.41 0.00 -3.80 1.82 -0.35 -3.31 116.42 111.42 3b8i h ASP 281 Ca 0.07 -0.35 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 3b8i h ASP 281 Cb 0.04 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 39.93 3b8i h ASP 281 CO -0.01 1.17 -1.06 -1.22 -1.61 0.00 0.00 179.24 176.50 3b8i n TYR 282 N -3.67 0.00 -0.75 0.28 4.01 0.78 -4.75 117.16 113.07 3b8i n TYR 282 Ca -0.06 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.73 3b8i n TYR 282 Cb 0.86 -0.12 0.07 0.00 -0.31 0.00 0.00 39.34 39.83 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 -1.59 1.72 0.00 -0.72 2.81 -0.47 -5.04 117.12 113.83 3b8i n MET 283 Ca -0.01 -1.89 0.00 0.00 -1.81 0.00 0.00 57.70 53.99 3b8i n MET 283 Cb 0.17 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 3b8i n MET 283 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87