#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8i n GLN 2 N 0.00 -0.17 -4.29 0.00 6.02 0.22 -4.04 117.38 115.12 3a8i n GLN 2 Ca 0.00 -0.04 -0.16 0.00 -0.01 0.00 0.00 57.00 56.80 3a8i n GLN 2 Cb 0.00 -1.28 -0.10 0.00 1.02 0.00 0.00 30.24 29.88 3a8i n GLN 2 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3a8i s GLN 3 N -2.54 1.16 0.74 -1.09 -2.07 -1.26 0.03 119.66 114.63 3a8i s GLN 3 Ca 0.45 -1.50 -0.07 0.00 -1.82 0.00 0.00 55.36 52.42 3a8i s GLN 3 Cb -0.16 -0.80 0.10 0.00 -1.09 0.00 0.00 33.01 31.06 3a8i s GLN 3 CO 0.76 0.11 1.05 0.95 -1.32 0.00 0.00 175.29 176.84 3a8i s THR 4 N -3.20 2.22 -1.64 3.63 -4.23 -1.26 -4.97 115.64 106.19 3a8i s THR 4 Ca 0.19 -0.30 0.05 0.00 -1.18 0.00 0.00 61.69 60.45 3a8i s THR 4 Cb 0.01 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 71.05 3a8i s THR 4 CO 0.03 0.00 0.93 -2.65 -0.54 0.00 0.00 174.62 172.38 3a8i n PRO 5 N -3.02 0.11 -0.04 3.99 -0.02 -1.26 -2.55 135.00 132.20 3a8i n PRO 5 Ca 0.10 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 3a8i n PRO 5 Cb 0.60 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.68 3a8i n PRO 5 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3a8i n LEU 6 N -1.18 2.56 -0.36 2.45 4.77 -1.26 -4.62 117.00 119.35 3a8i n LEU 6 Ca 0.03 -1.17 0.03 0.00 -0.03 0.00 0.00 56.01 54.87 3a8i n LEU 6 Cb 0.03 -0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3a8i n LEU 6 CO 0.04 0.49 0.61 0.00 -1.33 0.00 0.00 177.39 177.20 3a8i n TYR 7 N 0.95 0.21 -0.01 -1.77 4.19 -1.06 -0.46 117.16 119.21 3a8i n TYR 7 Ca 0.11 1.19 -0.09 0.00 3.31 0.00 0.00 57.90 62.42 3a8i n TYR 7 Cb 0.43 -0.97 0.06 0.00 0.49 0.00 0.00 39.34 39.35 3a8i n TYR 7 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3a8i h GLU 8 N 0.00 0.59 -0.27 2.98 4.81 -1.88 -0.84 114.58 119.96 3a8i h GLU 8 Ca 0.41 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3a8i h GLU 8 Cb 0.65 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3a8i h GLU 8 CO -0.98 0.96 0.10 1.96 -0.73 0.00 0.00 179.01 180.31 3a8i h GLN 9 N 0.46 0.22 -0.23 1.92 1.08 -1.49 -1.63 115.11 115.44 3a8i h GLN 9 Ca 0.02 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 3a8i h GLN 9 Cb 1.05 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.40 3a8i h GLN 9 CO 0.10 0.14 0.07 0.45 -0.95 0.00 0.00 178.83 178.64 3a8i h HIS 10 N 0.22 0.12 -0.36 2.96 3.86 -0.09 -0.33 115.15 121.53 3a8i h HIS 10 Ca 0.12 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3a8i h HIS 10 Cb 0.08 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 3a8i h HIS 10 CO -0.13 0.05 0.23 1.79 0.86 0.00 0.00 177.93 180.73 3a8i h THR 11 N 0.17 1.07 -0.78 2.45 1.35 -1.09 -0.68 112.91 115.40 3a8i h THR 11 Ca 0.10 -0.16 0.14 0.00 -0.55 0.00 0.00 66.41 65.94 3a8i h THR 11 Cb 0.08 0.57 -0.05 0.00 -1.73 0.00 0.00 68.15 67.01 3a8i h THR 11 CO -0.11 0.08 0.51 -0.07 -0.25 0.00 0.00 175.52 175.69 3a8i h LEU 12 N 0.46 0.48 -0.27 3.87 3.38 -1.01 0.53 115.31 122.75 3a8i h LEU 12 Ca 0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3a8i h LEU 12 Cb -0.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3a8i h LEU 12 CO -0.04 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.74 3a8i n GLY 14 N 0.94 0.78 3.77 0.00 0.00 0.18 -4.89 105.19 105.96 3a8i n GLY 14 Ca 0.17 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 3a8i n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8i s ALA 15 N -2.00 3.30 -0.46 4.61 0.00 -0.33 -4.31 121.76 122.57 3a8i s ALA 15 Ca 0.00 1.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 3a8i s ALA 15 Cb 0.00 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.78 3a8i s ALA 15 CO 0.00 -0.48 0.41 1.03 0.00 0.00 0.00 175.76 176.72 3a8i s ARG 16 N -1.98 3.01 0.14 0.00 3.00 -0.75 -4.79 118.95 117.58 3a8i s ARG 16 Ca 0.52 -1.15 -0.22 0.00 0.00 0.00 0.00 55.73 54.88 3a8i s ARG 16 Cb -0.33 -4.08 -0.08 0.00 0.00 0.00 0.00 34.95 30.47 3a8i s ARG 16 CO 0.43 -0.97 0.69 -1.64 0.00 0.00 0.00 175.30 173.80 3a8i s MET 17 N 1.84 4.38 0.12 3.54 -1.94 -1.26 -1.00 119.30 124.98 3a8i s MET 17 Ca 0.07 0.95 0.05 0.00 -1.71 0.00 0.00 55.69 55.05 3a8i s MET 17 Cb -0.22 -3.19 -0.04 0.00 2.01 0.00 0.00 34.83 33.39 3a8i s MET 17 CO 0.09 0.57 -0.12 0.14 -0.01 0.00 0.00 175.02 175.69 3a8i s VAL 18 N -1.19 1.14 -0.39 -6.03 -7.23 -0.28 -4.87 120.40 101.54 3a8i s VAL 18 Ca 0.34 -1.75 -0.28 0.00 -1.81 0.00 0.00 61.98 58.48 3a8i s VAL 18 Cb -0.21 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 3a8i s VAL 18 CO 0.23 -0.54 1.89 -0.62 -0.31 0.00 0.00 175.10 175.75 3a8i s ASP 19 N -2.59 5.62 -0.37 4.85 -1.08 -1.26 -0.06 116.67 121.78 3a8i s ASP 19 Ca 0.09 1.13 -0.02 0.00 -0.52 0.00 0.00 52.55 53.23 3a8i s ASP 19 Cb -0.03 -2.52 0.09 0.00 -1.46 0.00 0.00 42.92 39.00 3a8i s ASP 19 CO 0.01 -1.95 0.13 0.12 0.52 0.00 0.00 175.17 174.00 3a8i s PHE 20 N 7.85 3.52 -1.48 -5.34 5.36 0.65 -4.69 117.98 123.85 3a8i s PHE 20 Ca 0.80 -2.34 -0.06 0.00 -0.96 0.00 0.00 56.93 54.37 3a8i s PHE 20 Cb -0.21 -2.88 0.05 0.00 -0.34 0.00 0.00 43.02 39.64 3a8i s PHE 20 CO 0.30 -0.92 0.63 0.72 -1.46 0.00 0.00 175.22 174.49 3a8i n HIS 21 N 4.56 -1.81 -0.81 10.12 8.25 -1.26 -0.30 115.22 133.96 3a8i n HIS 21 Ca -0.04 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 3a8i n HIS 21 Cb 0.42 -3.70 0.00 0.00 1.12 0.00 0.00 29.99 27.83 3a8i n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8i n GLY 22 N -1.75 0.79 3.41 -1.41 0.00 -1.26 -4.90 105.19 100.07 3a8i n GLY 22 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3a8i n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a8i s TRP 23 N -3.00 2.70 -0.52 1.61 0.52 0.58 0.69 118.94 121.52 3a8i s TRP 23 Ca 0.00 -0.39 -0.29 0.00 0.02 0.00 0.00 56.10 55.44 3a8i s TRP 23 Cb 0.00 -1.69 0.03 0.00 -1.15 0.00 0.00 33.47 30.66 3a8i s TRP 23 CO 0.00 0.00 1.16 -1.64 0.02 0.00 0.00 176.95 176.49 3a8i s MET 24 N -0.30 3.63 0.14 4.98 -1.94 0.10 0.24 119.30 126.15 3a8i s MET 24 Ca 0.02 0.42 0.07 0.00 -1.71 0.00 0.00 55.69 54.49 3a8i s MET 24 Cb -0.13 -3.96 -0.04 0.00 2.01 0.00 0.00 34.83 32.72 3a8i s MET 24 CO 0.03 -1.51 -0.16 -1.64 -0.01 0.00 0.00 175.02 171.72 3a8i s MET 25 N 4.66 1.15 -0.01 2.03 -1.94 0.91 -4.66 119.30 121.44 3a8i s MET 25 Ca 0.46 -1.32 -0.30 0.00 -1.71 0.00 0.00 55.69 52.82 3a8i s MET 25 Cb -0.07 -1.13 -0.06 0.00 2.01 0.00 0.00 34.83 35.58 3a8i s MET 25 CO 0.29 0.23 1.50 -2.14 -0.01 0.00 0.00 175.02 174.88 3a8i s PRO 26 N -2.70 4.24 0.08 2.03 0.02 -1.26 -1.13 135.00 136.28 3a8i s PRO 26 Ca 0.12 2.07 -0.17 0.00 0.02 0.00 0.00 61.00 63.04 3a8i s PRO 26 Cb -0.05 -3.68 -0.10 0.00 0.02 0.00 0.00 34.50 30.68 3a8i s PRO 26 CO 0.05 -0.67 1.40 1.25 -0.33 0.00 0.00 177.00 178.69 3a8i h LEU 27 N 8.89 0.62 -7.92 -5.54 5.85 -1.40 0.58 115.31 116.39 3a8i h LEU 27 Ca -0.38 -0.47 0.08 0.00 0.84 0.00 0.00 57.88 57.95 3a8i h LEU 27 Cb 1.18 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 3a8i h LEU 27 CO 0.92 0.96 0.33 -1.38 -0.34 0.00 0.00 178.44 178.93 3a8i s HIS 28 N -4.37 -0.08 -0.22 1.25 -3.43 -1.25 -1.04 115.29 106.14 3a8i s HIS 28 Ca -0.13 -0.38 0.12 0.00 -0.80 0.00 0.00 55.06 53.87 3a8i s HIS 28 Cb 0.07 0.72 0.45 0.00 -1.43 0.00 0.00 32.58 32.40 3a8i s HIS 28 CO 0.80 -1.19 1.34 0.66 -2.00 0.00 0.00 174.74 174.35 3a8i n TYR 29 N -0.50 0.60 0.00 0.38 4.02 -1.26 -1.80 117.16 118.59 3a8i n TYR 29 Ca -0.05 -1.36 0.00 0.00 -0.01 0.00 0.00 57.90 56.48 3a8i n TYR 29 Cb 0.60 -0.34 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 3a8i n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a8i n GLY 30 N -1.08 3.48 2.80 2.72 0.00 -1.26 -4.75 105.19 107.09 3a8i n GLY 30 Ca 0.25 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 3a8i n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a8i s SER 31 N 0.00 1.11 0.45 1.61 0.15 -1.26 -5.03 113.70 110.72 3a8i s SER 31 Ca 0.00 -0.08 0.15 0.00 0.70 0.00 0.00 55.95 56.72 3a8i s SER 31 Cb 0.00 0.52 1.02 0.00 -1.71 0.00 0.00 66.02 65.84 3a8i s SER 31 CO 0.00 -0.31 1.99 0.06 1.20 0.00 0.00 173.24 176.18 3a8i h GLN 32 N 8.29 0.00 -0.52 5.44 3.07 -1.97 -1.96 115.11 127.47 3a8i h GLN 32 Ca -0.17 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.46 3a8i h GLN 32 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.69 3a8i h GLN 32 CO 0.27 0.19 -0.10 0.82 0.09 0.00 0.00 178.83 180.09 3a8i h ILE 33 N 0.00 1.27 -0.49 1.86 1.08 -1.97 0.08 117.51 119.33 3a8i h ILE 33 Ca -0.00 -1.24 -0.11 0.00 -0.39 0.00 0.00 64.86 63.12 3a8i h ILE 33 Cb 0.33 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 3a8i h ILE 33 CO 0.02 0.43 -0.14 -0.78 -0.69 0.00 0.00 178.15 177.00 3a8i h ASP 34 N 0.86 0.94 -0.35 1.72 3.58 -1.93 0.28 116.42 121.53 3a8i h ASP 34 Ca 0.14 -0.32 -0.06 0.00 0.42 0.00 0.00 57.03 57.21 3a8i h ASP 34 Cb 0.64 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 3a8i h ASP 34 CO 0.04 1.07 -0.03 -0.33 -2.88 0.00 0.00 179.24 177.12 3a8i h GLU 35 N 0.83 0.63 -0.46 0.28 5.08 -1.01 0.51 114.58 120.44 3a8i h GLU 35 Ca 0.13 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3a8i h GLU 35 Cb 0.68 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3a8i h GLU 35 CO 0.05 0.77 0.25 1.25 -1.00 0.00 0.00 179.01 180.33 3a8i h HIS 36 N 0.43 0.47 -0.93 4.33 2.76 -0.83 -2.64 115.15 118.74 3a8i h HIS 36 Ca 0.09 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3a8i h HIS 36 Cb 0.51 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.28 3a8i h HIS 36 CO 0.04 0.25 0.57 1.25 -1.30 0.00 0.00 177.93 178.75 3a8i h HIS 37 N 0.50 1.22 -0.25 5.26 -0.00 -0.60 -1.31 115.15 119.97 3a8i h HIS 37 Ca 0.19 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.61 3a8i h HIS 37 Cb 0.06 -0.40 -0.04 0.00 -0.00 0.00 0.00 27.41 27.03 3a8i h HIS 37 CO -0.09 0.81 -0.03 0.00 -0.00 0.00 0.00 177.93 178.62 3a8i h ALA 38 N 1.31 0.20 -0.63 5.26 0.00 -0.55 -1.50 119.26 123.35 3a8i h ALA 38 Ca 0.34 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 3a8i h ALA 38 Cb -0.07 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3a8i h ALA 38 CO -0.06 -0.45 0.09 0.28 0.00 0.00 0.00 179.25 179.11 3a8i h VAL 39 N 0.04 1.26 0.00 0.00 2.07 -1.26 0.62 116.25 118.97 3a8i h VAL 39 Ca 0.12 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 3a8i h VAL 39 Cb 0.17 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3a8i h VAL 39 CO -0.23 0.38 -0.12 0.03 0.02 0.00 0.00 177.57 177.65 3a8i h ARG 40 N 0.97 0.00 0.00 1.57 2.47 -0.95 -3.35 114.38 115.09 3a8i h ARG 40 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3a8i h ARG 40 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3a8i h ARG 40 CO 0.01 0.12 -0.22 0.25 0.56 0.00 0.00 179.97 180.69 3a8i n THR 41 N -3.85 0.00 0.00 2.04 -2.24 -0.59 -4.41 114.28 105.23 3a8i n THR 41 Ca -0.02 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3a8i n THR 41 Cb 0.22 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3a8i n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3a8i n ASP 42 N -1.01 0.00 -3.67 3.42 2.03 0.20 -4.75 116.55 112.77 3a8i n ASP 42 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 3a8i n ASP 42 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 3a8i n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3a8i s ALA 43 N -1.17 -1.48 0.26 -1.67 0.00 -0.51 -0.49 121.76 116.71 3a8i s ALA 43 Ca 0.00 1.86 0.04 0.00 0.00 0.00 0.00 51.96 53.86 3a8i s ALA 43 Cb 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 23.12 21.97 3a8i s ALA 43 CO 0.00 -0.31 -0.00 0.20 0.00 0.00 0.00 175.76 175.65 3a8i s GLY 44 N 1.01 1.74 0.04 0.00 0.00 -0.44 -1.45 107.32 108.22 3a8i s GLY 44 Ca -0.06 -1.87 -0.04 0.00 0.00 0.00 0.00 44.72 42.75 3a8i s GLY 44 CO -0.09 -1.74 0.06 -3.16 0.00 0.00 0.00 173.10 168.17 3a8i s MET 45 N -3.84 0.56 0.03 2.90 0.23 0.40 -1.53 119.30 118.06 3a8i s MET 45 Ca 0.31 -0.81 0.02 0.00 -1.03 0.00 0.00 55.69 54.18 3a8i s MET 45 Cb 0.06 0.21 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 3a8i s MET 45 CO 0.11 -0.13 -0.07 -0.06 -2.03 0.00 0.00 175.02 172.84 3a8i s PHE 46 N -2.67 0.60 -0.36 3.16 0.40 0.06 -0.64 117.98 118.51 3a8i s PHE 46 Ca -0.04 -0.44 -0.19 0.00 -0.60 0.00 0.00 56.93 55.66 3a8i s PHE 46 Cb -0.01 -0.36 0.00 0.00 0.51 0.00 0.00 43.02 43.16 3a8i s PHE 46 CO -0.05 -0.08 0.55 0.34 0.70 0.00 0.00 175.22 176.68 3a8i s ASP 47 N -1.35 6.33 -0.25 1.36 -1.08 -1.26 -0.08 116.67 120.34 3a8i s ASP 47 Ca -0.09 -0.06 0.11 0.00 -0.52 0.00 0.00 52.55 51.99 3a8i s ASP 47 Cb -0.09 -2.28 0.48 0.00 -1.46 0.00 0.00 42.92 39.57 3a8i s ASP 47 CO 0.00 -0.54 1.40 1.33 0.52 0.00 0.00 175.17 177.88 3a8i n VAL 48 N 5.51 2.42 0.31 1.11 0.24 -0.03 -4.73 118.33 123.17 3a8i n VAL 48 Ca -0.04 -2.71 0.10 0.00 -2.04 0.00 0.00 64.34 59.66 3a8i n VAL 48 Cb 0.49 -0.29 0.45 0.00 -1.47 0.00 0.00 33.84 33.02 3a8i n VAL 48 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3a8i n SER 49 N -1.07 0.50 -0.01 -1.34 7.64 -1.11 -1.85 113.62 116.37 3a8i n SER 49 Ca 0.28 0.66 0.14 0.00 1.01 0.00 0.00 58.87 60.96 3a8i n SER 49 Cb 0.93 -0.75 0.60 0.00 -1.01 0.00 0.00 64.21 63.98 3a8i n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a8i n HIS 50 N -2.09 0.00 -2.56 1.43 1.44 -1.26 -4.76 115.22 107.42 3a8i n HIS 50 Ca 0.01 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.36 3a8i n HIS 50 Cb 0.15 -0.40 -0.04 0.00 0.12 0.00 0.00 29.99 29.82 3a8i n HIS 50 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3a8i s MET 51 N -2.87 4.14 -0.13 -1.40 -1.94 -0.77 -4.34 119.30 111.99 3a8i s MET 51 Ca 0.18 1.48 -0.17 0.00 -1.71 0.00 0.00 55.69 55.46 3a8i s MET 51 Cb 0.19 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.50 3a8i s MET 51 CO 0.53 -0.15 0.44 0.99 -0.01 0.00 0.00 175.02 176.82 3a8i s THR 52 N -1.71 5.21 -0.23 2.05 2.01 -1.09 -4.95 115.64 116.93 3a8i s THR 52 Ca 0.59 0.87 -0.08 0.00 0.31 0.00 0.00 61.69 63.37 3a8i s THR 52 Cb -0.21 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3a8i s THR 52 CO 0.26 0.34 0.09 -0.63 -0.69 0.00 0.00 174.62 173.99 3a8i s ILE 53 N 0.61 4.68 -0.20 1.82 1.01 -1.26 -1.68 121.20 126.18 3a8i s ILE 53 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3a8i s ILE 53 Cb -0.15 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.18 3a8i s ILE 53 CO 0.09 0.36 -0.16 -0.69 0.00 0.00 0.00 174.94 174.54 3a8i s VAL 54 N 1.21 2.28 -0.13 2.92 1.01 -0.23 0.00 120.40 127.46 3a8i s VAL 54 Ca 0.05 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 3a8i s VAL 54 Cb -0.14 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3a8i s VAL 54 CO 0.04 0.44 0.38 -1.81 0.00 0.00 0.00 175.10 174.16 3a8i s ASP 55 N 1.29 6.58 -0.15 3.32 1.01 0.61 -0.06 116.67 129.27 3a8i s ASP 55 Ca 0.03 0.68 0.01 0.00 0.71 0.00 0.00 52.55 53.99 3a8i s ASP 55 Cb -0.14 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.56 3a8i s ASP 55 CO -0.10 0.08 -0.18 -0.76 0.21 0.00 0.00 175.17 174.41 3a8i s LEU 56 N 0.40 2.34 0.02 1.23 1.43 -0.02 0.25 118.68 124.33 3a8i s LEU 56 Ca 0.21 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3a8i s LEU 56 Cb -0.14 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3a8i s LEU 56 CO 0.08 0.08 -0.11 -0.13 0.23 0.00 0.00 176.35 176.49 3a8i s ARG 57 N 0.86 0.77 0.00 1.70 0.52 -0.62 -1.43 118.95 120.76 3a8i s ARG 57 Ca -0.05 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 3a8i s ARG 57 Cb -0.15 -0.73 0.00 0.00 0.52 0.00 0.00 34.95 34.59 3a8i s ARG 57 CO -0.02 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.90 3a8i n GLY 58 N 2.20 4.42 0.29 -3.53 0.00 -0.66 -0.24 105.19 107.67 3a8i n GLY 58 Ca -0.17 -1.44 0.19 0.00 0.00 0.00 0.00 46.02 44.60 3a8i n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a8i h SER 59 N 0.00 0.00 -0.56 1.61 4.64 -1.89 -2.14 113.55 115.22 3a8i h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a8i h SER 59 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a8i h SER 59 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3a8i n ARG 60 N -3.07 3.57 -0.17 4.77 1.74 -1.26 -4.56 116.66 117.68 3a8i n ARG 60 Ca -0.00 -2.54 -0.09 0.00 -0.77 0.00 0.00 57.85 54.45 3a8i n ARG 60 Cb 0.25 -1.88 0.01 0.00 -1.02 0.00 0.00 32.46 29.82 3a8i n ARG 60 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3a8i h THR 61 N 3.57 1.22 -0.51 0.55 2.02 -1.64 -0.24 112.91 117.89 3a8i h THR 61 Ca 0.00 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.40 3a8i h THR 61 Cb 1.39 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 3a8i h THR 61 CO 0.25 0.27 0.09 -0.09 0.37 0.00 0.00 175.52 176.40 3a8i h ARG 62 N 0.65 0.84 -0.67 6.66 2.43 -1.80 -1.06 114.38 121.42 3a8i h ARG 62 Ca 0.16 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3a8i h ARG 62 Cb 0.24 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 3a8i h ARG 62 CO -0.01 0.82 0.43 1.49 -1.51 0.00 0.00 179.97 181.20 3a8i h GLU 63 N 0.72 0.84 -0.40 0.20 4.81 -1.83 -1.03 114.58 117.90 3a8i h GLU 63 Ca 0.16 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3a8i h GLU 63 Cb 0.38 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3a8i h GLU 63 CO 0.01 0.56 0.25 0.35 -0.73 0.00 0.00 179.01 179.44 3a8i h PHE 64 N 0.87 0.46 -0.18 0.92 3.57 -0.69 -2.80 116.94 119.10 3a8i h PHE 64 Ca 0.26 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.61 3a8i h PHE 64 Cb -0.05 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3a8i h PHE 64 CO -0.04 0.28 -0.54 -0.07 -2.23 0.00 0.00 178.31 175.72 3a8i h LEU 65 N 0.50 0.59 -2.12 0.59 3.38 -0.82 0.27 115.31 117.70 3a8i h LEU 65 Ca 0.15 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3a8i h LEU 65 Cb -0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3a8i h LEU 65 CO -0.05 1.01 0.20 0.03 0.09 0.00 0.00 178.44 179.72 3a8i h ARG 66 N 0.41 0.00 0.16 1.13 3.08 -1.15 -0.45 114.38 117.56 3a8i h ARG 66 Ca 0.01 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.71 3a8i h ARG 66 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 3a8i h ARG 66 CO 0.10 0.00 -1.84 -0.92 -1.07 0.00 0.00 179.97 176.24 3a8i h TYR 67 N 0.00 0.62 -0.39 3.04 3.20 -1.11 -3.41 116.97 118.92 3a8i h TYR 67 Ca 0.11 -0.45 -0.15 0.00 3.14 0.00 0.00 58.73 61.38 3a8i h TYR 67 Cb 0.52 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3a8i h TYR 67 CO 0.00 1.72 -0.35 1.25 -1.64 0.00 0.00 178.16 179.14 3a8i h LEU 68 N 0.07 0.96 -9.62 2.82 5.85 -0.11 -2.09 115.31 113.20 3a8i h LEU 68 Ca -0.38 -0.42 -0.58 0.00 0.84 0.00 0.00 57.88 57.34 3a8i h LEU 68 Cb 2.06 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 42.73 3a8i h LEU 68 CO 0.14 1.21 -0.62 -0.76 -0.34 0.00 0.00 178.44 178.07 3a8i s LEU 69 N -8.89 3.49 0.04 2.25 1.43 -0.21 -4.36 118.68 112.42 3a8i s LEU 69 Ca -0.11 -0.33 0.13 0.00 -1.03 0.00 0.00 54.13 52.79 3a8i s LEU 69 Cb 0.12 -2.11 -0.18 0.00 0.03 0.00 0.00 46.19 44.05 3a8i s LEU 69 CO 0.87 0.06 0.87 0.00 0.23 0.00 0.00 176.35 178.39 3a8i h ALA 70 N 2.43 0.66 -2.01 4.21 0.00 -1.81 -3.44 119.26 119.31 3a8i h ALA 70 Ca -0.47 -1.14 -0.43 0.00 0.00 0.00 0.00 54.91 52.87 3a8i h ALA 70 Cb 1.21 0.28 0.18 0.00 0.00 0.00 0.00 17.79 19.46 3a8i h ALA 70 CO 0.60 1.29 0.28 1.21 0.00 0.00 0.00 179.25 182.63 3a8i s ASN 71 N -6.15 2.02 -0.20 0.00 3.84 -1.05 -1.23 114.94 112.17 3a8i s ASN 71 Ca -0.03 0.43 -0.00 0.00 0.21 0.00 0.00 52.86 53.47 3a8i s ASN 71 Cb 0.08 -0.56 0.05 0.00 -0.55 0.00 0.00 41.25 40.28 3a8i s ASN 71 CO 0.81 -3.43 -0.05 -0.62 -2.79 0.00 0.00 177.10 171.03 3a8i s ASP 72 N -4.42 3.26 0.00 -4.21 2.15 -1.26 -4.73 116.67 107.46 3a8i s ASP 72 Ca 0.73 -0.89 0.17 0.00 0.43 0.00 0.00 52.55 52.99 3a8i s ASP 72 Cb -0.06 -1.00 0.74 0.00 -0.30 0.00 0.00 42.92 42.30 3a8i s ASP 72 CO 0.54 -0.21 1.52 1.33 -0.17 0.00 0.00 175.17 178.18 3a8i n VAL 73 N 4.81 0.78 0.29 1.11 0.24 -1.26 -0.88 118.33 123.41 3a8i n VAL 73 Ca -0.12 0.20 0.17 0.00 -2.04 0.00 0.00 64.34 62.55 3a8i n VAL 73 Cb 0.46 -0.91 0.84 0.00 -1.47 0.00 0.00 33.84 32.76 3a8i n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a8i h ALA 74 N 2.62 1.07 0.00 2.33 0.00 -1.93 0.18 119.26 123.53 3a8i h ALA 74 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a8i h ALA 74 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3a8i h ALA 74 CO 0.00 0.05 0.05 0.87 0.00 0.00 0.00 179.25 180.22 3a8i h LYS 75 N 0.00 0.00 -4.82 0.00 1.57 -1.45 -3.39 116.57 108.49 3a8i h LYS 75 Ca -0.00 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.06 3a8i h LYS 75 Cb 0.34 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.46 3a8i h LYS 75 CO 0.01 0.00 0.94 -0.51 -0.57 0.00 0.00 179.45 179.32 3a8i s LEU 76 N -5.58 5.20 -0.02 2.94 1.43 0.05 -4.81 118.68 117.89 3a8i s LEU 76 Ca -0.04 -2.44 0.21 0.00 -1.03 0.00 0.00 54.13 50.83 3a8i s LEU 76 Cb 0.10 -2.38 -0.29 0.00 0.03 0.00 0.00 46.19 43.65 3a8i s LEU 76 CO 0.33 -0.91 0.57 0.35 0.23 0.00 0.00 176.35 176.92 3a8i n THR 77 N 5.03 0.00 -4.17 5.49 -2.24 -1.26 -4.91 114.28 112.22 3a8i n THR 77 Ca 0.27 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.35 3a8i n THR 77 Cb 0.47 0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 68.91 3a8i n THR 77 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a8i s LYS 78 N -3.29 3.42 -0.13 -0.78 3.01 -1.26 -5.06 119.74 115.66 3a8i s LYS 78 Ca -0.03 -0.34 -0.40 0.00 -1.01 0.00 0.00 55.97 54.18 3a8i s LYS 78 Cb 0.14 -3.00 -0.18 0.00 -1.01 0.00 0.00 37.83 33.78 3a8i s LYS 78 CO 0.85 0.56 1.44 0.43 0.51 0.00 0.00 175.35 179.14 3a8i n SER 79 N 2.62 1.45 0.00 2.83 7.64 -1.26 -0.86 113.62 126.04 3a8i n SER 79 Ca -0.18 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.82 3a8i n SER 79 Cb 0.53 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3a8i n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a8i n GLY 80 N 3.03 1.05 3.77 0.23 0.00 0.75 -4.90 105.19 109.12 3a8i n GLY 80 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 3a8i n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a8i s LYS 81 N -0.52 4.29 0.14 1.61 2.47 -0.04 -0.90 119.74 126.80 3a8i s LYS 81 Ca 0.00 1.70 0.07 0.00 -1.56 0.00 0.00 55.97 56.18 3a8i s LYS 81 Cb 0.00 -2.79 -0.04 0.00 -1.46 0.00 0.00 37.83 33.54 3a8i s LYS 81 CO 0.00 -0.07 -0.17 0.00 0.16 0.00 0.00 175.35 175.27 3a8i s ALA 82 N -1.43 1.80 0.11 3.13 0.00 0.56 -1.51 121.76 124.42 3a8i s ALA 82 Ca 0.53 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3a8i s ALA 82 Cb -0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3a8i s ALA 82 CO 0.35 0.19 -0.02 -0.48 0.00 0.00 0.00 175.76 175.80 3a8i s LEU 83 N -2.53 2.29 -0.05 0.00 0.05 -0.86 -4.81 118.68 112.77 3a8i s LEU 83 Ca 0.12 -1.08 -0.13 0.00 0.05 0.00 0.00 54.13 53.10 3a8i s LEU 83 Cb -0.06 0.04 -0.05 0.00 -2.05 0.00 0.00 46.19 44.08 3a8i s LEU 83 CO 0.05 -0.56 0.33 -0.47 -0.55 0.00 0.00 176.35 175.15 3a8i s TYR 84 N -3.76 3.66 0.06 3.48 5.04 -1.26 -1.92 117.35 122.65 3a8i s TYR 84 Ca 0.16 0.83 -0.07 0.00 -2.44 0.00 0.00 57.07 55.55 3a8i s TYR 84 Cb 0.06 -2.22 -0.01 0.00 0.35 0.00 0.00 41.96 40.15 3a8i s TYR 84 CO -0.03 0.60 0.14 0.45 -1.34 0.00 0.00 175.55 175.38 3a8i s SER 85 N -0.82 0.16 0.36 4.32 0.15 -0.19 -4.83 113.70 112.86 3a8i s SER 85 Ca 0.21 -0.60 -0.05 0.00 0.70 0.00 0.00 55.95 56.21 3a8i s SER 85 Cb -0.15 0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 3a8i s SER 85 CO 0.10 -0.62 0.63 -0.83 1.20 0.00 0.00 173.24 173.72 3a8i s GLY 86 N -2.51 1.70 -0.17 9.45 0.00 -1.26 -1.17 107.32 113.36 3a8i s GLY 86 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3a8i s GLY 86 CO -0.08 -0.43 -0.08 -0.29 0.00 0.00 0.00 173.10 172.22 3a8i s MET 87 N -3.98 1.73 0.19 2.90 0.00 -0.10 -2.49 119.30 117.56 3a8i s MET 87 Ca 0.45 -0.62 0.07 0.00 0.00 0.00 0.00 55.69 55.59 3a8i s MET 87 Cb -0.10 -2.13 -0.04 0.00 0.00 0.00 0.00 34.83 32.55 3a8i s MET 87 CO 0.34 -0.40 0.06 -0.51 0.00 0.00 0.00 175.02 174.51 3a8i s LEU 88 N 1.54 3.51 0.95 4.11 1.43 -1.26 0.35 118.68 129.31 3a8i s LEU 88 Ca 0.01 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 3a8i s LEU 88 Cb -0.15 -2.12 0.20 0.00 0.03 0.00 0.00 46.19 44.15 3a8i s LEU 88 CO -0.08 0.06 1.31 0.54 0.23 0.00 0.00 176.35 178.41 3a8i s ASN 89 N -3.15 3.13 0.56 2.29 2.20 0.31 -4.64 114.94 115.65 3a8i s ASN 89 Ca 0.29 0.18 0.32 0.00 -0.94 0.00 0.00 52.86 52.72 3a8i s ASN 89 Cb -0.09 -0.22 1.66 0.00 -2.00 0.00 0.00 41.25 40.60 3a8i s ASN 89 CO 0.21 -2.71 2.13 0.00 -2.94 0.00 0.00 177.10 173.78 3a8i h ALA 90 N -1.59 1.18 -0.03 3.54 0.00 -1.89 -1.22 119.26 119.24 3a8i h ALA 90 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3a8i h ALA 90 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3a8i h ALA 90 CO 0.36 0.08 0.00 0.43 0.00 0.00 0.00 179.25 180.13 3a8i n SER 91 N -3.42 1.57 0.00 0.00 7.64 -1.26 -4.47 113.62 113.67 3a8i n SER 91 Ca -0.02 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.33 3a8i n SER 91 Cb 0.21 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3a8i n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a8i n GLY 92 N 1.18 0.79 3.85 0.23 0.00 -0.46 -4.70 105.19 106.08 3a8i n GLY 92 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3a8i n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a8i s GLY 93 N -1.70 1.67 -0.30 -0.02 0.00 -1.26 -4.07 107.32 101.65 3a8i s GLY 93 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 44.72 44.44 3a8i s GLY 93 CO 0.00 0.25 0.85 0.14 0.00 0.00 0.00 173.10 174.34 3a8i s VAL 94 N -3.13 4.74 -0.05 1.40 1.01 -1.09 -0.53 120.40 122.76 3a8i s VAL 94 Ca 0.56 1.36 -0.24 0.00 0.00 0.00 0.00 61.98 63.66 3a8i s VAL 94 Cb -0.12 -4.20 -0.25 0.00 0.00 0.00 0.00 36.38 31.82 3a8i s VAL 94 CO 0.54 -0.27 1.00 0.40 0.00 0.00 0.00 175.10 176.77 3a8i h ILE 95 N 5.60 1.54 -3.31 2.22 2.04 -0.40 -2.70 117.51 122.50 3a8i h ILE 95 Ca -0.23 -2.09 -0.01 0.00 1.00 0.00 0.00 64.86 63.53 3a8i h ILE 95 Cb 1.09 2.85 -0.09 0.00 -0.74 0.00 0.00 36.82 39.93 3a8i h ILE 95 CO 0.91 0.58 0.04 -0.62 0.00 0.00 0.00 178.15 179.07 3a8i s ASP 96 N -6.48 -0.22 0.32 1.72 -1.08 -1.05 -4.88 116.67 104.99 3a8i s ASP 96 Ca -0.15 -0.61 0.08 0.00 -0.52 0.00 0.00 52.55 51.35 3a8i s ASP 96 Cb 0.01 0.62 -0.04 0.00 -1.46 0.00 0.00 42.92 42.05 3a8i s ASP 96 CO 0.76 -1.14 0.16 1.51 0.52 0.00 0.00 175.17 176.98 3a8i s ASP 97 N -2.92 4.85 0.22 -0.34 -4.77 -1.26 -0.92 116.67 111.54 3a8i s ASP 97 Ca 0.13 -0.66 -0.22 0.00 -3.30 0.00 0.00 52.55 48.49 3a8i s ASP 97 Cb -0.02 -0.85 0.05 0.00 -1.09 0.00 0.00 42.92 41.01 3a8i s ASP 97 CO 0.02 -0.25 0.86 -1.48 0.70 0.00 0.00 175.17 175.02 3a8i s LEU 98 N -3.85 -0.18 0.10 2.11 0.05 -0.31 -4.33 118.68 112.27 3a8i s LEU 98 Ca 0.37 -0.57 0.09 0.00 0.05 0.00 0.00 54.13 54.07 3a8i s LEU 98 Cb -0.04 2.43 -0.04 0.00 -2.05 0.00 0.00 46.19 46.49 3a8i s LEU 98 CO 0.23 -1.15 -0.19 -0.63 -0.55 0.00 0.00 176.35 174.07 3a8i s ILE 99 N -3.35 2.79 0.04 1.48 1.01 -1.00 -1.02 121.20 121.15 3a8i s ILE 99 Ca 0.13 -1.45 0.05 0.00 0.00 0.00 0.00 60.65 59.38 3a8i s ILE 99 Cb -0.04 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3a8i s ILE 99 CO 0.05 0.15 -0.15 0.54 0.00 0.00 0.00 174.94 175.54 3a8i s VAL 100 N -1.09 1.15 -0.03 2.92 0.11 -0.81 -1.14 120.40 121.52 3a8i s VAL 100 Ca 0.17 -1.02 0.05 0.00 -2.93 0.00 0.00 61.98 58.24 3a8i s VAL 100 Cb -0.11 -1.04 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 3a8i s VAL 100 CO 0.09 0.01 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.39 3a8i s TYR 101 N -0.86 1.66 -0.22 1.54 1.51 0.22 -2.02 117.35 119.18 3a8i s TYR 101 Ca 0.02 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.58 3a8i s TYR 101 Cb -0.08 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 3a8i s TYR 101 CO 0.01 -0.10 0.11 -0.47 -1.11 0.00 0.00 175.55 173.99 3a8i s TYR 102 N -0.17 3.29 -0.10 2.71 5.04 -0.57 -0.65 117.35 126.90 3a8i s TYR 102 Ca 0.01 0.13 -0.11 0.00 -2.44 0.00 0.00 57.07 54.66 3a8i s TYR 102 Cb -0.09 -2.19 -0.05 0.00 0.35 0.00 0.00 41.96 39.98 3a8i s TYR 102 CO 0.01 0.09 -0.22 1.19 -1.34 0.00 0.00 175.55 175.27 3a8i n PHE 103 N 3.98 0.00 -4.22 4.97 3.72 0.41 -0.18 117.46 126.15 3a8i n PHE 103 Ca -0.16 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.09 3a8i n PHE 103 Cb 0.52 -0.40 -0.09 0.00 -0.94 0.00 0.00 39.48 38.58 3a8i n PHE 103 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3a8i s THR 104 N -2.51 0.00 0.42 4.37 -4.23 -0.76 -4.36 115.64 108.57 3a8i s THR 104 Ca -0.20 -1.95 0.23 0.00 -1.18 0.00 0.00 61.69 58.60 3a8i s THR 104 Cb 0.04 -2.50 0.43 0.00 1.34 0.00 0.00 72.50 71.82 3a8i s THR 104 CO 0.28 0.00 1.72 -0.33 -0.54 0.00 0.00 174.62 175.75 3a8i h GLU 105 N 2.36 0.26 -0.55 3.99 4.39 -1.98 -1.64 114.58 121.42 3a8i h GLU 105 Ca -0.30 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3a8i h GLU 105 Cb 1.24 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3a8i h GLU 105 CO 0.44 0.17 0.00 -0.25 -1.16 0.00 0.00 179.01 178.21 3a8i n ASP 106 N -4.63 4.01 -3.29 1.42 8.00 -1.26 -4.24 116.55 116.55 3a8i n ASP 106 Ca 0.29 -2.29 -0.00 0.00 0.71 0.00 0.00 54.79 53.50 3a8i n ASP 106 Cb 1.08 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 3a8i n ASP 106 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3a8i s PHE 107 N -1.54 -1.37 0.17 1.24 5.36 -0.62 -1.66 117.98 119.57 3a8i s PHE 107 Ca 0.42 1.62 0.05 0.00 -0.96 0.00 0.00 56.93 58.07 3a8i s PHE 107 Cb 0.26 0.48 -0.05 0.00 -0.34 0.00 0.00 43.02 43.37 3a8i s PHE 107 CO 0.23 -0.79 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.03 3a8i s PHE 108 N 2.79 1.43 0.01 10.12 0.40 -0.51 -0.45 117.98 131.77 3a8i s PHE 108 Ca 0.14 -0.72 0.04 0.00 -0.60 0.00 0.00 56.93 55.80 3a8i s PHE 108 Cb -0.14 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.66 3a8i s PHE 108 CO -0.19 0.16 -0.13 0.50 0.70 0.00 0.00 175.22 176.26 3a8i s ARG 109 N -3.73 0.96 0.00 0.44 3.52 0.18 -0.84 118.95 119.49 3a8i s ARG 109 Ca 0.19 -0.55 0.06 0.00 -0.13 0.00 0.00 55.73 55.31 3a8i s ARG 109 Cb 0.02 -0.93 -0.03 0.00 -1.56 0.00 0.00 34.95 32.45 3a8i s ARG 109 CO 0.03 0.25 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.10 3a8i s LEU 110 N -0.59 2.67 -0.14 -0.88 1.43 0.91 -0.61 118.68 121.47 3a8i s LEU 110 Ca 0.03 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3a8i s LEU 110 Cb -0.06 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.63 3a8i s LEU 110 CO 0.00 0.29 -0.13 -0.69 0.23 0.00 0.00 176.35 176.05 3a8i s VAL 111 N -0.85 1.46 0.40 -1.59 1.01 -0.29 -1.07 120.40 119.46 3a8i s VAL 111 Ca 0.14 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.62 3a8i s VAL 111 Cb -0.11 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 3a8i s VAL 111 CO 0.04 0.44 0.08 0.68 0.00 0.00 0.00 175.10 176.34 3a8i s VAL 112 N 1.44 2.26 1.07 2.92 -7.23 -0.68 -2.39 120.40 117.80 3a8i s VAL 112 Ca 0.03 -1.87 -0.13 0.00 -1.81 0.00 0.00 61.98 58.20 3a8i s VAL 112 Cb -0.13 -2.95 0.20 0.00 0.56 0.00 0.00 36.38 34.06 3a8i s VAL 112 CO -0.09 -0.05 0.85 0.59 -0.31 0.00 0.00 175.10 176.10 3a8i n ASN 113 N -1.08 -1.27 -0.01 4.85 3.02 -1.26 -2.69 115.26 116.83 3a8i n ASN 113 Ca -0.03 0.06 -0.18 0.00 -0.03 0.00 0.00 54.58 54.39 3a8i n ASN 113 Cb 0.65 -1.28 -0.14 0.00 -0.61 0.00 0.00 39.78 38.41 3a8i n ASN 113 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3a8i h SER 114 N -2.28 0.25 0.03 6.41 4.64 -1.94 -3.32 113.55 117.34 3a8i h SER 114 Ca -0.53 -0.91 -0.01 0.00 -0.47 0.00 0.00 61.79 59.86 3a8i h SER 114 Cb 1.31 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3a8i h SER 114 CO 0.44 1.31 -0.04 0.00 -0.87 0.00 0.00 176.83 177.67 3a8i h ALA 115 N -0.02 1.89 -0.64 5.18 0.00 -1.90 -2.99 119.26 120.77 3a8i h ALA 115 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3a8i h ALA 115 Cb 1.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3a8i h ALA 115 CO 0.05 0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.63 3a8i n THR 116 N -4.47 1.63 0.03 0.00 -2.24 -1.25 -4.67 114.28 103.30 3a8i n THR 116 Ca -0.02 -1.10 -0.11 0.00 -2.27 0.00 0.00 64.05 60.55 3a8i n THR 116 Cb 0.14 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 3a8i n THR 116 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3a8i h ARG 117 N 4.00 -0.36 -0.25 -0.78 2.43 -1.62 0.13 114.38 117.93 3a8i h ARG 117 Ca 0.00 0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.01 3a8i h ARG 117 Cb 1.34 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 3a8i h ARG 117 CO 0.19 -0.24 -0.59 0.93 -1.51 0.00 0.00 179.97 178.74 3a8i h GLU 118 N -0.38 0.81 -0.04 0.20 4.39 -1.87 0.11 114.58 117.81 3a8i h GLU 118 Ca 0.08 -0.54 0.02 0.00 0.34 0.00 0.00 59.36 59.25 3a8i h GLU 118 Cb 0.49 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 3a8i h GLU 118 CO -0.28 1.17 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.46 3a8i h LYS 119 N 0.61 -0.09 -0.24 2.33 3.64 -1.84 -1.63 116.57 119.36 3a8i h LYS 119 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3a8i h LYS 119 Cb 1.20 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3a8i h LYS 119 CO 0.13 -0.06 0.08 -0.44 -2.27 0.00 0.00 179.45 176.89 3a8i h ASP 120 N -0.09 0.34 -0.79 4.20 5.19 -0.54 -1.54 116.42 123.20 3a8i h ASP 120 Ca 0.04 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 3a8i h ASP 120 Cb 0.14 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.52 3a8i h ASP 120 CO -0.09 0.45 0.46 -0.07 -3.12 0.00 0.00 179.24 176.87 3a8i h LEU 121 N 0.22 0.96 -0.42 1.55 3.38 -0.60 -0.41 115.31 119.98 3a8i h LEU 121 Ca 0.08 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3a8i h LEU 121 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3a8i h LEU 121 CO -0.00 0.76 -0.10 0.28 0.09 0.00 0.00 178.44 179.46 3a8i h SER 122 N 1.08 0.82 -0.25 -0.43 0.02 -1.19 -1.55 113.55 112.06 3a8i h SER 122 Ca 0.28 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.90 3a8i h SER 122 Cb -0.01 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3a8i h SER 122 CO -0.05 1.00 0.05 -0.25 -1.14 0.00 0.00 176.83 176.44 3a8i h TRP 123 N 0.64 0.09 -0.43 3.45 2.91 -0.88 -0.99 115.95 120.75 3a8i h TRP 123 Ca 0.11 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 3a8i h TRP 123 Cb 0.64 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.27 3a8i h TRP 123 CO 0.05 0.03 0.06 0.82 -1.03 0.00 0.00 178.44 178.37 3a8i h ILE 124 N 0.15 1.25 -0.01 2.65 2.04 -0.98 -2.30 117.51 120.32 3a8i h ILE 124 Ca 0.11 -0.91 -0.23 0.00 1.00 0.00 0.00 64.86 64.83 3a8i h ILE 124 Cb 0.11 1.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3a8i h ILE 124 CO -0.14 0.31 -0.95 0.71 0.00 0.00 0.00 178.15 178.08 3a8i h THR 125 N 0.57 1.37 -0.38 -0.27 1.35 -1.24 -0.94 112.91 113.37 3a8i h THR 125 Ca 0.13 -2.38 0.08 0.00 -0.55 0.00 0.00 66.41 63.69 3a8i h THR 125 Cb 0.40 2.39 -0.09 0.00 -1.73 0.00 0.00 68.15 69.11 3a8i h THR 125 CO 0.01 0.72 -0.25 -0.61 -0.25 0.00 0.00 175.52 175.14 3a8i h GLN 126 N 0.28 -0.18 0.00 4.72 4.15 -1.14 -3.05 115.11 119.89 3a8i h GLN 126 Ca -0.09 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 3a8i h GLN 126 Cb 1.59 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 29.32 3a8i h GLN 126 CO 0.17 -0.12 -0.82 0.45 -1.93 0.00 0.00 178.83 176.58 3a8i h HIS 127 N -0.19 0.00 0.03 3.99 3.86 -1.26 -3.29 115.15 118.29 3a8i h HIS 127 Ca 0.18 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.18 3a8i h HIS 127 Cb 0.48 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 3a8i h HIS 127 CO -0.47 0.07 -1.00 0.00 0.86 0.00 0.00 177.93 177.39 3a8i h ALA 128 N 1.93 0.37 -0.80 2.45 0.00 -1.22 -3.39 119.26 118.60 3a8i h ALA 128 Ca -0.02 -0.84 0.16 0.00 0.00 0.00 0.00 54.91 54.21 3a8i h ALA 128 Cb 1.07 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 3a8i h ALA 128 CO 0.01 1.09 -0.22 1.49 0.00 0.00 0.00 179.25 181.62 3a8i h GLU 129 N 0.04 -0.01 0.00 0.00 4.81 -1.61 0.13 114.58 117.94 3a8i h GLU 129 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3a8i h GLU 129 Cb 1.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.10 3a8i h GLU 129 CO 0.14 -0.01 0.00 -0.35 -0.73 0.00 0.00 179.01 178.07 3a8i n PRO 130 N -5.52 0.09 0.00 0.92 -0.04 -1.26 -1.23 135.00 127.96 3a8i n PRO 130 Ca 0.11 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 3a8i n PRO 130 Cb 0.41 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.48 3a8i n PRO 130 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3a8i n PHE 131 N -1.40 0.00 -2.42 0.54 3.72 0.43 -4.97 117.46 113.36 3a8i n PHE 131 Ca 0.05 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.33 3a8i n PHE 131 Cb 0.14 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.66 3a8i n PHE 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a8i n GLY 132 N 1.39 -0.04 3.72 1.37 0.00 -0.36 -4.62 105.19 106.65 3a8i n GLY 132 Ca 0.11 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 3a8i n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a8i s ILE 133 N -2.70 4.43 -0.34 -0.61 -1.09 -1.24 -4.86 121.20 114.78 3a8i s ILE 133 Ca 0.07 1.94 -0.29 0.00 -2.23 0.00 0.00 60.65 60.15 3a8i s ILE 133 Cb -0.03 -4.24 0.01 0.00 -1.58 0.00 0.00 42.46 36.62 3a8i s ILE 133 CO 0.09 0.26 1.24 -0.70 -1.23 0.00 0.00 174.94 174.61 3a8i s GLU 134 N 0.23 3.88 -0.23 2.79 2.12 0.67 -4.90 118.70 123.27 3a8i s GLU 134 Ca 0.49 1.08 -0.07 0.00 0.36 0.00 0.00 54.97 56.84 3a8i s GLU 134 Cb -0.24 -3.87 -0.03 0.00 0.26 0.00 0.00 34.13 30.25 3a8i s GLU 134 CO 0.30 -1.16 0.06 0.42 -0.54 0.00 0.00 175.26 174.35 3a8i s ILE 135 N 4.35 4.37 -0.23 -3.70 1.01 -1.26 -1.59 121.20 124.16 3a8i s ILE 135 Ca 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.02 3a8i s ILE 135 Cb -0.14 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.33 3a8i s ILE 135 CO 0.24 0.36 -0.10 -0.89 0.00 0.00 0.00 174.94 174.55 3a8i s THR 136 N 1.37 2.63 -0.27 2.92 2.01 0.14 -4.98 115.64 119.46 3a8i s THR 136 Ca 0.05 -1.00 -0.27 0.00 0.31 0.00 0.00 61.69 60.78 3a8i s THR 136 Cb -0.15 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.09 3a8i s THR 136 CO 0.03 0.30 0.98 -0.69 -0.69 0.00 0.00 174.62 174.55 3a8i s VAL 137 N 1.31 4.68 -1.01 3.82 1.01 -1.26 -0.28 120.40 128.67 3a8i s VAL 137 Ca 0.01 1.76 -0.03 0.00 0.00 0.00 0.00 61.98 63.72 3a8i s VAL 137 Cb -0.16 -4.28 0.19 0.00 0.00 0.00 0.00 36.38 32.13 3a8i s VAL 137 CO -0.07 -0.25 2.27 0.54 0.00 0.00 0.00 175.10 177.60 3a8i n ARG 138 N 6.40 4.15 0.00 2.72 5.12 0.10 -4.67 116.66 130.48 3a8i n ARG 138 Ca 0.10 -3.56 0.03 0.00 -1.93 0.00 0.00 57.85 52.49 3a8i n ARG 138 Cb 0.47 -2.44 0.15 0.00 -1.16 0.00 0.00 32.46 29.47 3a8i n ARG 138 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3a8i n ASP 139 N 0.79 0.00 0.00 0.55 8.00 -1.26 -2.18 116.55 122.45 3a8i n ASP 139 Ca 0.55 0.43 0.13 0.00 0.71 0.00 0.00 54.79 56.60 3a8i n ASP 139 Cb 0.31 -0.45 0.64 0.00 -0.02 0.00 0.00 41.12 41.60 3a8i n ASP 139 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3a8i n ASP 140 N -1.45 0.00 -4.58 -2.24 5.75 -1.26 -4.80 116.55 107.98 3a8i n ASP 140 Ca 0.02 0.06 -0.32 0.00 -0.01 0.00 0.00 54.79 54.54 3a8i n ASP 140 Cb 0.07 -0.34 -0.11 0.00 -1.03 0.00 0.00 41.12 39.71 3a8i n ASP 140 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3a8i s LEU 141 N -2.68 3.10 0.47 -2.12 1.43 -0.93 -1.14 118.68 116.81 3a8i s LEU 141 Ca 0.22 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 3a8i s LEU 141 Cb 0.18 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.65 3a8i s LEU 141 CO 0.42 0.30 0.52 -0.44 0.23 0.00 0.00 176.35 177.38 3a8i s SER 142 N -1.30 5.15 -0.17 2.29 0.01 -0.24 -4.80 113.70 114.64 3a8i s SER 142 Ca 0.16 -0.76 -0.15 0.00 1.31 0.00 0.00 55.95 56.51 3a8i s SER 142 Cb -0.11 -0.26 0.05 0.00 0.21 0.00 0.00 66.02 65.90 3a8i s SER 142 CO 0.06 -0.89 0.45 -0.32 0.41 0.00 0.00 173.24 172.95 3a8i s MET 143 N -4.32 0.51 -0.10 12.44 1.75 -1.26 -1.82 119.30 126.50 3a8i s MET 143 Ca 0.51 0.68 0.03 0.00 -1.25 0.00 0.00 55.69 55.65 3a8i s MET 143 Cb -0.05 0.20 0.01 0.00 2.84 0.00 0.00 34.83 37.83 3a8i s MET 143 CO 0.30 -0.08 -0.20 0.42 -0.65 0.00 0.00 175.02 174.81 3a8i s ILE 144 N 0.49 1.81 -0.20 10.11 1.01 0.34 -0.85 121.20 133.91 3a8i s ILE 144 Ca -0.02 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 3a8i s ILE 144 Cb -0.04 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3a8i s ILE 144 CO -0.02 0.50 0.32 0.00 0.00 0.00 0.00 174.94 175.74 3a8i s ALA 145 N 0.57 3.58 -0.23 9.38 0.00 0.89 -1.53 121.76 134.42 3a8i s ALA 145 Ca -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3a8i s ALA 145 Cb -0.17 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.47 3a8i s ALA 145 CO 0.05 -0.19 -0.11 0.08 0.00 0.00 0.00 175.76 175.59 3a8i s VAL 146 N 1.06 2.50 0.00 0.00 1.01 0.12 -0.76 120.40 124.32 3a8i s VAL 146 Ca 0.16 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3a8i s VAL 146 Cb -0.14 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3a8i s VAL 146 CO 0.06 0.27 -0.06 -1.10 0.00 0.00 0.00 175.10 174.27 3a8i s GLN 147 N 1.28 0.47 0.00 2.72 -1.52 -0.58 -0.55 119.66 121.48 3a8i s GLN 147 Ca 0.00 -0.27 0.00 0.00 -1.95 0.00 0.00 55.36 53.14 3a8i s GLN 147 Cb -0.16 -0.44 0.00 0.00 -0.22 0.00 0.00 33.01 32.19 3a8i s GLN 147 CO -0.07 0.12 0.00 0.41 -0.25 0.00 0.00 175.29 175.49 3a8i n GLY 148 N 2.77 1.80 0.16 3.09 0.00 -0.41 -1.33 105.19 111.27 3a8i n GLY 148 Ca -0.14 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.08 3a8i n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a8i h PRO 149 N 0.00 0.00 -0.29 1.61 0.13 -1.54 -1.49 132.00 130.41 3a8i h PRO 149 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3a8i h PRO 149 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3a8i h PRO 149 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 3a8i n ASN 150 N -2.45 2.77 -0.01 1.44 3.02 0.35 -4.69 115.26 115.70 3a8i n ASN 150 Ca 0.02 -1.89 -0.12 0.00 -0.03 0.00 0.00 54.58 52.56 3a8i n ASN 150 Cb 0.26 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 3a8i n ASN 150 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a8i h ALA 151 N 2.20 0.11 -0.23 5.41 0.00 -1.30 -1.60 119.26 123.84 3a8i h ALA 151 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3a8i h ALA 151 Cb 0.69 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3a8i h ALA 151 CO 0.00 -0.29 0.12 1.96 0.00 0.00 0.00 179.25 181.04 3a8i h GLN 152 N -0.04 0.24 -0.74 0.00 4.20 -1.84 -0.03 115.11 116.91 3a8i h GLN 152 Ca 0.03 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.74 3a8i h GLN 152 Cb 0.19 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3a8i h GLN 152 CO -0.00 0.16 0.48 0.00 -0.67 0.00 0.00 178.83 178.80 3a8i h ALA 153 N 1.12 0.95 -0.15 3.87 0.00 -1.86 -1.16 119.26 122.03 3a8i h ALA 153 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3a8i h ALA 153 Cb 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3a8i h ALA 153 CO -0.06 0.31 -0.16 0.87 0.00 0.00 0.00 179.25 180.20 3a8i h LYS 154 N 0.96 0.38 -0.78 0.00 1.57 -1.09 -2.93 116.57 114.68 3a8i h LYS 154 Ca 0.28 -0.20 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 3a8i h LYS 154 Cb -0.05 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.20 3a8i h LYS 154 CO -0.09 0.76 0.41 0.00 -0.57 0.00 0.00 179.45 179.97 3a8i h ALA 155 N 0.61 1.10 0.00 3.86 0.00 -0.98 -2.31 119.26 121.54 3a8i h ALA 155 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a8i h ALA 155 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3a8i h ALA 155 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3a8i h ALA 156 N 1.46 1.00 0.00 0.00 0.00 -1.03 -0.36 119.26 120.33 3a8i h ALA 156 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3a8i h ALA 156 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3a8i h ALA 156 CO -0.27 0.00 0.00 1.79 0.00 0.00 0.00 179.25 180.77 3a8i h THR 157 N 0.00 0.00 0.00 0.00 1.35 -1.27 -1.07 112.91 111.92 3a8i h THR 157 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3a8i h THR 157 Cb 0.28 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3a8i h THR 157 CO 0.00 0.00 -0.85 0.18 -0.25 0.00 0.00 175.52 174.60 3a8i n LEU 158 N -3.06 0.63 -4.76 3.87 4.77 -0.14 -4.92 117.00 113.38 3a8i n LEU 158 Ca -0.03 0.02 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 3a8i n LEU 158 Cb 0.08 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 3a8i n LEU 158 CO 0.20 0.04 0.75 -0.36 -1.33 0.00 0.00 177.39 176.69 3a8i s PHE 159 N -3.15 3.59 0.78 -1.77 0.08 -0.41 -5.06 117.98 112.04 3a8i s PHE 159 Ca 0.06 1.73 -0.13 0.00 0.12 0.00 0.00 56.93 58.70 3a8i s PHE 159 Cb 0.15 -3.19 0.18 0.00 -0.57 0.00 0.00 43.02 39.59 3a8i s PHE 159 CO 0.77 -0.36 0.98 0.27 -0.10 0.00 0.00 175.22 176.78 3a8i n ASN 160 N 0.95 -0.26 -0.09 1.36 0.23 -1.26 -4.74 115.26 111.46 3a8i n ASN 160 Ca 0.00 -1.30 -0.12 0.00 -0.53 0.00 0.00 54.58 52.63 3a8i n ASN 160 Cb 0.46 -0.77 -0.05 0.00 -2.08 0.00 0.00 39.78 37.35 3a8i n ASN 160 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3a8i h ASP 161 N -1.50 0.58 -0.67 0.53 3.32 -1.98 0.90 116.42 117.59 3a8i h ASP 161 Ca -0.32 -0.42 0.07 0.00 0.02 0.00 0.00 57.03 56.38 3a8i h ASP 161 Cb 0.91 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.24 3a8i h ASP 161 CO 0.23 0.88 0.36 0.00 -1.72 0.00 0.00 179.24 178.98 3a8i h ALA 162 N 0.73 0.91 -0.15 3.45 0.00 -2.00 -1.15 119.26 121.04 3a8i h ALA 162 Ca 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3a8i h ALA 162 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3a8i h ALA 162 CO 0.04 0.01 0.06 1.96 0.00 0.00 0.00 179.25 181.32 3a8i h GLN 163 N 0.64 0.23 -0.64 0.00 4.20 -1.79 -1.51 115.11 116.25 3a8i h GLN 163 Ca 0.31 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.09 3a8i h GLN 163 Cb 0.25 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.91 3a8i h GLN 163 CO -0.21 0.33 0.22 0.00 -0.67 0.00 0.00 178.83 178.49 3a8i h ARG 164 N 0.09 0.37 -0.53 1.46 3.08 -0.39 -2.49 114.38 115.97 3a8i h ARG 164 Ca 0.05 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3a8i h ARG 164 Cb 0.19 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3a8i h ARG 164 CO -0.00 0.24 -0.04 0.37 -1.07 0.00 0.00 179.97 179.46 3a8i h GLN 165 N 0.38 0.93 -0.68 0.04 4.15 -1.03 -2.54 115.11 116.35 3a8i h GLN 165 Ca 0.33 -0.29 0.06 0.00 0.77 0.00 0.00 58.65 59.51 3a8i h GLN 165 Cb 0.45 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 3a8i h GLN 165 CO -0.35 0.95 0.45 0.00 -1.93 0.00 0.00 178.83 177.95 3a8i h ALA 166 N 1.10 1.71 -0.64 3.38 0.00 -0.89 -1.79 119.26 122.13 3a8i h ALA 166 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3a8i h ALA 166 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3a8i h ALA 166 CO 0.03 0.18 0.00 1.33 0.00 0.00 0.00 179.25 180.80 3a8i n VAL 167 N -4.47 0.84 -1.95 0.00 0.24 -0.97 -4.92 118.33 107.10 3a8i n VAL 167 Ca 0.10 -0.88 -0.42 0.00 -2.04 0.00 0.00 64.34 61.10 3a8i n VAL 167 Cb 0.21 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.08 3a8i n VAL 167 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3a8i s GLU 168 N -1.16 4.20 -1.00 7.34 2.02 -0.68 -2.39 118.70 127.03 3a8i s GLU 168 Ca 0.45 2.30 0.00 0.00 0.02 0.00 0.00 54.97 57.74 3a8i s GLU 168 Cb 0.24 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.82 3a8i s GLU 168 CO 0.31 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.26 3a8i n GLY 169 N 4.00 0.45 3.67 -1.39 0.00 -1.26 -4.95 105.19 105.71 3a8i n GLY 169 Ca 0.16 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3a8i n GLY 169 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3a8i s MET 170 N -3.86 4.31 0.69 1.61 0.00 -1.01 -5.00 119.30 116.05 3a8i s MET 170 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 55.69 57.03 3a8i s MET 170 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 34.83 31.21 3a8i s MET 170 CO 0.00 -0.53 1.09 0.15 0.00 0.00 0.00 175.02 175.73 3a8i s LYS 171 N 2.79 2.96 0.57 4.11 1.02 -1.26 -5.02 119.74 124.91 3a8i s LYS 171 Ca 0.48 0.52 -0.19 0.00 0.02 0.00 0.00 55.97 56.81 3a8i s LYS 171 Cb -0.18 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 35.04 3a8i s LYS 171 CO 0.13 -0.98 0.94 -2.30 -0.92 0.00 0.00 175.35 172.22 3a8i n PRO 172 N -2.98 0.96 -3.55 -1.68 -0.02 -1.26 -3.71 135.00 122.76 3a8i n PRO 172 Ca 0.07 0.37 -0.26 0.00 -2.02 0.00 0.00 63.50 61.65 3a8i n PRO 172 Cb 0.57 -2.12 0.05 0.00 -0.02 0.00 0.00 33.50 31.98 3a8i n PRO 172 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3a8i n PHE 173 N -1.51 -2.07 -4.17 6.00 3.01 -0.02 -4.91 117.46 113.79 3a8i n PHE 173 Ca 0.13 0.59 -0.11 0.00 1.01 0.00 0.00 57.45 59.07 3a8i n PHE 173 Cb 0.46 -3.68 -0.10 0.00 -0.01 0.00 0.00 39.48 36.14 3a8i n PHE 173 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3a8i s PHE 174 N -3.45 0.91 -0.01 1.38 0.40 -1.24 -0.32 117.98 115.64 3a8i s PHE 174 Ca 0.45 -0.89 -0.05 0.00 -0.60 0.00 0.00 56.93 55.84 3a8i s PHE 174 Cb -0.13 -0.52 0.00 0.00 0.51 0.00 0.00 43.02 42.88 3a8i s PHE 174 CO 0.82 -0.13 0.10 0.20 0.70 0.00 0.00 175.22 176.91 3a8i s GLY 175 N -3.01 0.04 -0.17 4.36 0.00 -0.08 -1.09 107.32 107.38 3a8i s GLY 175 Ca 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 3a8i s GLY 175 CO -0.04 -0.17 0.43 0.54 0.00 0.00 0.00 173.10 173.86 3a8i s VAL 176 N -0.92 -0.01 -0.18 1.40 0.11 -0.30 -4.28 120.40 116.22 3a8i s VAL 176 Ca -0.10 0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.74 3a8i s VAL 176 Cb -0.06 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 3a8i s VAL 176 CO 0.01 0.01 0.80 -1.58 -3.33 0.00 0.00 175.10 171.01 3a8i s GLN 177 N 0.67 4.27 -0.32 1.54 2.00 -1.26 -0.68 119.66 125.87 3a8i s GLN 177 Ca -0.04 0.95 -0.01 0.00 -2.00 0.00 0.00 55.36 54.27 3a8i s GLN 177 Cb -0.05 -3.59 0.10 0.00 0.80 0.00 0.00 33.01 30.28 3a8i s GLN 177 CO -0.04 -0.34 0.12 0.00 -0.50 0.00 0.00 175.29 174.52 3a8i s ALA 178 N 2.22 1.45 0.00 1.58 0.00 0.13 -5.00 121.76 122.13 3a8i s ALA 178 Ca 0.36 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3a8i s ALA 178 Cb -0.16 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.34 3a8i s ALA 178 CO 0.11 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.57 3a8i n GLY 179 N 4.75 3.36 0.16 0.00 0.00 -1.26 -2.17 105.19 110.04 3a8i n GLY 179 Ca -0.01 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.93 3a8i n GLY 179 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a8i n ASP 180 N 3.59 0.47 -4.39 1.61 8.00 -1.26 -4.78 116.55 119.80 3a8i n ASP 180 Ca 0.00 -1.58 -0.35 0.00 0.71 0.00 0.00 54.79 53.57 3a8i n ASP 180 Cb 0.00 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 40.93 3a8i n ASP 180 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a8i s LEU 181 N -1.49 3.09 -0.34 0.64 1.43 -0.92 -4.27 118.68 116.82 3a8i s LEU 181 Ca 0.26 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 3a8i s LEU 181 Cb 0.12 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 3a8i s LEU 181 CO 0.20 0.03 0.51 0.12 0.23 0.00 0.00 176.35 177.44 3a8i s PHE 182 N 1.17 3.19 -0.14 0.29 5.36 0.03 0.19 117.98 128.06 3a8i s PHE 182 Ca 0.03 0.21 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 3a8i s PHE 182 Cb -0.15 -2.90 -0.00 0.00 -0.34 0.00 0.00 43.02 39.64 3a8i s PHE 182 CO 0.00 -0.51 -0.18 0.42 -1.46 0.00 0.00 175.22 173.50 3a8i s ILE 183 N 2.37 2.50 -0.00 3.12 1.01 0.14 -1.23 121.20 129.10 3a8i s ILE 183 Ca 0.19 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.02 3a8i s ILE 183 Cb -0.15 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.28 3a8i s ILE 183 CO 0.13 0.53 -0.06 0.00 0.00 0.00 0.00 174.94 175.54 3a8i s ALA 184 N 0.66 0.49 -1.27 9.38 0.00 0.50 -1.15 121.76 130.36 3a8i s ALA 184 Ca -0.09 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 3a8i s ALA 184 Cb -0.16 -0.12 0.16 0.00 0.00 0.00 0.00 23.12 23.00 3a8i s ALA 184 CO 0.02 0.12 2.13 0.25 0.00 0.00 0.00 175.76 178.28 3a8i n THR 185 N 2.92 5.04 -4.40 0.00 -2.24 -0.25 -0.14 114.28 115.22 3a8i n THR 185 Ca -0.13 -4.56 -0.20 0.00 -2.27 0.00 0.00 64.05 56.89 3a8i n THR 185 Cb 0.58 -2.13 -0.10 0.00 -2.10 0.00 0.00 70.33 66.58 3a8i n THR 185 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a8i s THR 186 N -1.00 0.88 0.00 4.28 -4.23 -1.26 -0.84 115.64 113.46 3a8i s THR 186 Ca 0.47 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3a8i s THR 186 Cb 0.15 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.29 3a8i s THR 186 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3a8i n GLY 187 N -0.61 -0.96 1.53 3.99 0.00 -1.26 -3.64 105.19 104.25 3a8i n GLY 187 Ca -0.01 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 44.89 3a8i n GLY 187 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3a8i n TYR 188 N -0.42 0.06 0.00 1.61 9.36 -1.26 -4.85 117.16 121.65 3a8i n TYR 188 Ca 0.00 -0.60 0.00 0.00 3.32 0.00 0.00 57.90 60.62 3a8i n TYR 188 Cb 0.00 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.63 3a8i n TYR 188 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3a8i n THR 189 N 0.38 0.00 -0.79 2.97 -2.24 -1.26 -3.56 114.28 109.78 3a8i n THR 189 Ca 0.03 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3a8i n THR 189 Cb 1.09 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 3a8i n THR 189 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a8i n GLY 190 N 1.21 0.62 3.70 3.38 0.00 -1.26 -4.57 105.19 108.28 3a8i n GLY 190 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3a8i n GLY 190 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a8i s GLU 191 N -0.21 2.14 1.01 1.61 0.41 -1.26 0.21 118.70 122.61 3a8i s GLU 191 Ca 0.00 -1.94 -0.12 0.00 -0.41 0.00 0.00 54.97 52.50 3a8i s GLU 191 Cb 0.00 -1.87 0.20 0.00 -1.78 0.00 0.00 34.13 30.68 3a8i s GLU 191 CO 0.00 -0.11 1.08 0.00 -0.49 0.00 0.00 175.26 175.74 3a8i s ALA 192 N -2.64 0.74 0.00 5.21 0.00 -1.26 -4.78 121.76 119.03 3a8i s ALA 192 Ca 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3a8i s ALA 192 Cb 0.06 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3a8i s ALA 192 CO 0.21 -2.99 0.00 0.41 0.00 0.00 0.00 175.76 173.39 3a8i n GLY 193 N -0.50 0.32 3.00 0.00 0.00 -1.26 -1.29 105.19 105.46 3a8i n GLY 193 Ca 0.05 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 3a8i n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a8i s TYR 194 N -3.06 0.36 -0.15 1.61 2.02 0.28 -4.37 117.35 114.04 3a8i s TYR 194 Ca 0.00 -0.51 -0.05 0.00 -0.37 0.00 0.00 57.07 56.13 3a8i s TYR 194 Cb 0.00 -0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 3a8i s TYR 194 CO 0.00 -0.16 0.02 -1.21 -1.57 0.00 0.00 175.55 172.63 3a8i s GLU 195 N -1.47 3.69 -0.18 -0.62 2.02 0.81 0.10 118.70 123.04 3a8i s GLU 195 Ca -0.14 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.46 3a8i s GLU 195 Cb -0.10 -3.04 0.04 0.00 0.10 0.00 0.00 34.13 31.12 3a8i s GLU 195 CO -0.01 0.36 -0.12 0.42 0.02 0.00 0.00 175.26 175.94 3a8i s ILE 196 N 0.08 1.67 -0.04 -1.63 1.01 -0.58 -0.37 121.20 121.33 3a8i s ILE 196 Ca 0.03 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3a8i s ILE 196 Cb -0.13 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 3a8i s ILE 196 CO 0.01 0.27 -0.08 0.00 0.00 0.00 0.00 174.94 175.15 3a8i s ALA 197 N 1.41 2.95 0.09 9.38 0.00 -0.37 -0.50 121.76 134.71 3a8i s ALA 197 Ca 0.01 -0.95 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 3a8i s ALA 197 Cb -0.15 -1.16 0.05 0.00 0.00 0.00 0.00 23.12 21.86 3a8i s ALA 197 CO -0.09 0.58 0.48 -0.48 0.00 0.00 0.00 175.76 176.25 3a8i s LEU 198 N -0.99 0.06 0.63 0.00 2.34 -0.76 -0.79 118.68 119.17 3a8i s LEU 198 Ca 0.14 -0.03 -0.18 0.00 0.06 0.00 0.00 54.13 54.12 3a8i s LEU 198 Cb -0.11 2.06 -0.04 0.00 -0.56 0.00 0.00 46.19 47.54 3a8i s LEU 198 CO 0.03 -0.79 0.95 -2.65 -1.06 0.00 0.00 176.35 172.83 3a8i n PRO 199 N 0.11 0.79 -0.32 1.48 -0.02 -1.26 -1.08 135.00 134.70 3a8i n PRO 199 Ca -0.17 0.32 0.06 0.00 -2.02 0.00 0.00 63.50 61.69 3a8i n PRO 199 Cb 0.62 -2.16 0.26 0.00 -0.02 0.00 0.00 33.50 32.20 3a8i n PRO 199 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3a8i h ASN 200 N 0.30 0.87 0.51 2.55 2.35 -1.44 0.02 115.58 120.74 3a8i h ASN 200 Ca -0.48 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3a8i h ASN 200 Cb 1.36 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3a8i h ASN 200 CO 0.50 0.51 0.00 -1.84 -1.65 0.00 0.00 177.43 174.95 3a8i n GLU 201 N -4.54 0.09 0.00 0.81 0.00 -1.26 -1.84 120.64 113.90 3a8i n GLU 201 Ca 0.16 0.17 0.07 0.00 0.00 0.00 0.00 57.16 57.56 3a8i n GLU 201 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.24 3a8i n GLU 201 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3a8i n LYS 202 N -1.42 1.71 -0.04 3.44 5.02 -0.02 -4.71 118.16 122.14 3a8i n LYS 202 Ca 0.06 -0.82 -0.15 0.00 -2.02 0.00 0.00 58.31 55.37 3a8i n LYS 202 Cb 0.19 -1.24 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 3a8i n LYS 202 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a8i h ALA 203 N 2.60 0.20 -0.48 7.82 0.00 -1.23 -2.74 119.26 125.42 3a8i h ALA 203 Ca 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 54.91 54.54 3a8i h ALA 203 Cb 0.51 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 3a8i h ALA 203 CO 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 179.25 179.52 3a8i h ALA 204 N 0.49 0.42 -0.70 0.00 0.00 -1.82 -0.92 119.26 116.73 3a8i h ALA 204 Ca -0.02 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3a8i h ALA 204 Cb 1.03 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3a8i h ALA 204 CO 0.08 -0.41 0.46 -0.44 0.00 0.00 0.00 179.25 178.95 3a8i h ASP 205 N 0.08 0.81 0.20 0.00 5.19 -1.87 -1.79 116.42 119.04 3a8i h ASP 205 Ca 0.24 -0.02 -0.24 0.00 -0.62 0.00 0.00 57.03 56.38 3a8i h ASP 205 Cb 0.37 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.68 3a8i h ASP 205 CO -0.43 0.59 -0.98 0.15 -3.12 0.00 0.00 179.24 175.44 3a8i h PHE 206 N 0.95 0.80 -0.36 4.55 3.57 -1.14 -1.74 116.94 123.57 3a8i h PHE 206 Ca 0.26 -0.43 0.02 0.00 3.53 0.00 0.00 57.97 61.34 3a8i h PHE 206 Cb -0.10 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3a8i h PHE 206 CO 0.00 1.26 0.20 2.35 -2.23 0.00 0.00 178.31 179.89 3a8i h TRP 207 N 0.30 0.37 -0.12 0.41 2.91 -0.87 0.35 115.95 119.30 3a8i h TRP 207 Ca -0.10 0.01 0.01 0.00 1.13 0.00 0.00 58.89 59.94 3a8i h TRP 207 Cb 1.63 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 30.15 3a8i h TRP 207 CO 0.08 0.21 0.04 -0.09 -1.03 0.00 0.00 178.44 177.65 3a8i h ARG 208 N 0.41 0.10 -1.00 2.65 2.43 -1.29 -0.78 114.38 116.90 3a8i h ARG 208 Ca 0.15 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 3a8i h ARG 208 Cb 0.03 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 3a8i h ARG 208 CO -0.08 0.07 0.65 0.00 -1.51 0.00 0.00 179.97 179.09 3a8i h ALA 209 N 1.07 1.41 -0.56 2.80 0.00 -0.97 -0.89 119.26 122.12 3a8i h ALA 209 Ca 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3a8i h ALA 209 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3a8i h ALA 209 CO -0.05 0.45 0.14 -0.07 0.00 0.00 0.00 179.25 179.72 3a8i h LEU 210 N 1.18 0.84 -0.78 0.00 3.38 -0.39 -1.07 115.31 118.46 3a8i h LEU 210 Ca 0.43 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3a8i h LEU 210 Cb 0.16 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3a8i h LEU 210 CO -0.17 0.85 0.48 0.58 0.09 0.00 0.00 178.44 180.27 3a8i h VAL 211 N 0.79 1.06 0.00 1.22 2.07 -0.64 -1.22 116.25 119.53 3a8i h VAL 211 Ca 0.18 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3a8i h VAL 211 Cb 0.34 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3a8i h VAL 211 CO 0.00 0.17 0.00 -0.33 0.02 0.00 0.00 177.57 177.43 3a8i h GLU 212 N 0.91 0.00 -0.10 1.57 5.08 -0.78 -1.07 114.58 120.20 3a8i h GLU 212 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3a8i h GLU 212 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3a8i h GLU 212 CO -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.86 3a8i n ALA 213 N -1.95 2.56 -0.91 3.43 0.00 -0.44 -4.89 120.51 118.30 3a8i n ALA 213 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3a8i n ALA 213 Cb 0.33 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3a8i n ALA 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8i n GLY 214 N 1.08 0.90 3.69 0.00 0.00 -0.41 -4.90 105.19 105.55 3a8i n GLY 214 Ca 0.17 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 3a8i n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a8i s VAL 215 N -2.00 5.15 -0.05 1.61 1.01 -0.53 -4.71 120.40 120.88 3a8i s VAL 215 Ca 0.00 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 3a8i s VAL 215 Cb 0.00 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3a8i s VAL 215 CO 0.00 0.24 0.99 -0.75 0.00 0.00 0.00 175.10 175.58 3a8i s LYS 216 N 1.22 4.49 0.03 2.72 2.20 -0.53 -4.18 119.74 125.69 3a8i s LYS 216 Ca 0.24 1.39 -0.34 0.00 -0.36 0.00 0.00 55.97 56.90 3a8i s LYS 216 Cb -0.15 -3.50 -0.13 0.00 -1.51 0.00 0.00 37.83 32.54 3a8i s LYS 216 CO 0.09 -0.17 1.73 -2.30 -0.36 0.00 0.00 175.35 174.35 3a8i n PRO 217 N 4.42 2.15 -4.58 4.03 -0.02 -1.26 -0.45 135.00 139.28 3a8i n PRO 217 Ca 0.07 0.78 -0.23 0.00 -2.02 0.00 0.00 63.50 62.11 3a8i n PRO 217 Cb 0.50 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 3a8i n PRO 217 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a8i n GLY 219 N 2.23 2.45 0.34 0.00 0.00 -1.26 -4.31 105.19 104.65 3a8i n GLY 219 Ca -0.16 -2.16 0.10 0.00 0.00 0.00 0.00 46.02 43.80 3a8i n GLY 219 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a8i h LEU 220 N 0.00 0.40 0.32 0.99 3.38 -0.67 -1.42 115.31 118.31 3a8i h LEU 220 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3a8i h LEU 220 Cb 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3a8i h LEU 220 CO 0.03 0.25 -0.15 1.23 0.09 0.00 0.00 178.44 179.89 3a8i h GLY 221 N 0.45 -0.45 0.62 0.83 0.00 -1.33 -2.03 103.07 101.16 3a8i h GLY 221 Ca 0.25 0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.83 3a8i h GLY 221 CO -0.07 -0.16 0.53 0.00 0.00 0.00 0.00 176.54 176.84 3a8i h ALA 222 N 0.12 1.23 -0.92 3.60 0.00 -1.74 -2.56 119.26 119.00 3a8i h ALA 222 Ca -0.04 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3a8i h ALA 222 Cb 0.39 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3a8i h ALA 222 CO 0.07 0.22 0.58 -0.09 0.00 0.00 0.00 179.25 180.03 3a8i h ARG 223 N 0.92 1.03 -0.02 0.00 2.43 -0.97 -0.20 114.38 117.58 3a8i h ARG 223 Ca 0.40 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3a8i h ARG 223 Cb 0.28 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3a8i h ARG 223 CO -0.21 0.68 -0.00 0.22 -1.51 0.00 0.00 179.97 179.15 3a8i h ASP 224 N 1.06 0.04 -0.73 -3.80 3.58 -1.05 -2.35 116.42 113.18 3a8i h ASP 224 Ca 0.40 -0.34 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 3a8i h ASP 224 Cb 0.16 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 3a8i h ASP 224 CO -0.17 0.37 0.23 0.71 -2.88 0.00 0.00 179.24 177.50 3a8i h THR 225 N -0.29 1.26 0.12 2.25 1.35 -1.05 -2.42 112.91 114.12 3a8i h THR 225 Ca 0.01 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.96 3a8i h THR 225 Cb 0.35 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 3a8i h THR 225 CO 0.00 0.35 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.50 3a8i h LEU 226 N 1.09 -0.13 -0.87 3.87 3.38 -1.12 -1.94 115.31 119.59 3a8i h LEU 226 Ca 0.24 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3a8i h LEU 226 Cb 0.30 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3a8i h LEU 226 CO -0.01 -0.01 -0.31 0.08 0.09 0.00 0.00 178.44 178.28 3a8i h ARG 227 N -0.25 0.46 -0.05 1.13 -0.00 -1.41 -1.35 114.38 112.91 3a8i h ARG 227 Ca -0.02 -0.20 -0.14 0.00 -0.00 0.00 0.00 59.98 59.63 3a8i h ARG 227 Cb 0.20 -0.02 0.01 0.00 -0.00 0.00 0.00 29.97 30.16 3a8i h ARG 227 CO 0.03 0.73 -0.51 1.25 -0.00 0.00 0.00 179.97 181.46 3a8i h LEU 228 N 0.40 0.53 -0.84 0.08 5.85 -1.44 0.18 115.31 120.06 3a8i h LEU 228 Ca 0.05 -0.70 0.17 0.00 0.84 0.00 0.00 57.88 58.24 3a8i h LEU 228 Cb 0.75 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.52 3a8i h LEU 228 CO 0.06 1.15 0.39 -0.33 -0.34 0.00 0.00 178.44 179.37 3a8i h GLU 229 N -0.05 0.50 0.00 1.25 5.08 -1.29 -1.06 114.58 119.01 3a8i h GLU 229 Ca -0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3a8i h GLU 229 Cb 1.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3a8i h GLU 229 CO 0.10 0.33 0.00 0.00 -1.00 0.00 0.00 179.01 178.44 3a8i n ALA 230 N -2.47 1.99 -1.98 3.43 0.00 -0.52 -0.41 120.51 120.54 3a8i n ALA 230 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.47 3a8i n ALA 230 Cb 0.50 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 3a8i n ALA 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8i n GLY 231 N 0.51 0.22 3.85 0.00 0.00 -0.40 -4.77 105.19 104.59 3a8i n GLY 231 Ca 0.07 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 3a8i n GLY 231 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a8i s MET 232 N -4.06 3.84 0.45 1.61 -1.94 0.55 -4.89 119.30 114.86 3a8i s MET 232 Ca 0.00 0.31 -0.21 0.00 -1.71 0.00 0.00 55.69 54.08 3a8i s MET 232 Cb 0.00 -3.16 -0.09 0.00 2.01 0.00 0.00 34.83 33.59 3a8i s MET 232 CO 0.00 0.66 1.01 -0.80 -0.01 0.00 0.00 175.02 175.88 3a8i s ASN 233 N -1.26 6.61 -0.24 3.03 0.01 -1.26 -4.39 114.94 117.44 3a8i s ASN 233 Ca 0.26 1.87 -0.04 0.00 -0.71 0.00 0.00 52.86 54.24 3a8i s ASN 233 Cb -0.16 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 38.95 3a8i s ASN 233 CO 0.14 -0.59 -0.03 -0.22 -1.51 0.00 0.00 177.10 174.89 3a8i s LEU 234 N -3.23 3.15 0.24 0.60 2.96 -1.26 -5.01 118.68 116.13 3a8i s LEU 234 Ca 0.64 -0.62 -0.31 0.00 -0.22 0.00 0.00 54.13 53.62 3a8i s LEU 234 Cb -0.15 -1.73 -0.13 0.00 0.50 0.00 0.00 46.19 44.68 3a8i s LEU 234 CO 0.19 -0.09 1.53 0.00 -1.32 0.00 0.00 176.35 176.66 3a8i n TYR 235 N 4.76 2.46 0.00 5.38 9.36 -1.26 -0.72 117.16 137.14 3a8i n TYR 235 Ca -0.17 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.36 3a8i n TYR 235 Cb 0.49 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 3a8i n TYR 235 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3a8i n GLY 236 N 2.56 2.38 0.67 2.98 0.00 0.17 -4.89 105.19 109.06 3a8i n GLY 236 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 3a8i n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3a8i n GLN 237 N -2.00 0.07 0.20 1.61 6.02 0.10 -4.72 117.38 118.65 3a8i n GLN 237 Ca 0.00 0.03 0.04 0.00 -0.01 0.00 0.00 57.00 57.05 3a8i n GLN 237 Cb 0.00 -0.41 0.42 0.00 1.02 0.00 0.00 30.24 31.27 3a8i n GLN 237 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3a8i h GLU 238 N -0.13 0.01 -3.53 -1.09 3.07 -1.75 -3.45 114.58 107.71 3a8i h GLU 238 Ca 0.00 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3a8i h GLU 238 Cb 0.13 -0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.92 3a8i h GLU 238 CO 0.00 0.29 -0.12 0.00 -1.40 0.00 0.00 179.01 177.79 3a8i s MET 239 N -4.41 1.25 0.00 2.33 0.23 -1.26 -4.71 119.30 112.74 3a8i s MET 239 Ca -0.03 -0.96 0.00 0.00 -1.03 0.00 0.00 55.69 53.67 3a8i s MET 239 Cb 0.15 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.91 3a8i s MET 239 CO 0.71 -0.50 0.00 -0.40 -2.03 0.00 0.00 175.02 172.80 3a8i n ASP 240 N -0.27 0.00 0.15 -1.18 5.68 -1.26 0.44 116.55 120.10 3a8i n ASP 240 Ca -0.10 -0.87 0.10 0.00 -0.50 0.00 0.00 54.79 53.42 3a8i n ASP 240 Cb 0.63 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.15 3a8i n ASP 240 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3a8i n GLU 241 N 0.00 0.13 0.00 0.11 1.02 -1.02 -1.52 120.64 119.36 3a8i n GLU 241 Ca 0.00 0.61 0.11 0.00 -0.02 0.00 0.00 57.16 57.86 3a8i n GLU 241 Cb 0.00 -1.92 0.03 0.00 -0.02 0.00 0.00 31.44 29.53 3a8i n GLU 241 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3a8i n THR 242 N -2.20 0.00 -4.55 2.62 -2.24 -1.26 -4.01 114.28 102.64 3a8i n THR 242 Ca -0.01 -0.22 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 3a8i n THR 242 Cb 0.05 1.13 -0.13 0.00 -2.10 0.00 0.00 70.33 69.28 3a8i n THR 242 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3a8i s ILE 243 N -2.53 3.61 0.36 2.28 -1.09 -0.58 -4.93 121.20 118.32 3a8i s ILE 243 Ca 0.18 -0.47 -0.26 0.00 -2.23 0.00 0.00 60.65 57.87 3a8i s ILE 243 Cb 0.18 -2.55 -0.09 0.00 -1.58 0.00 0.00 42.46 38.42 3a8i s ILE 243 CO 0.60 0.52 1.11 -0.55 -1.23 0.00 0.00 174.94 175.39 3a8i s SER 244 N 0.16 6.86 0.44 3.58 0.15 -1.26 -2.65 113.70 120.97 3a8i s SER 244 Ca -0.03 2.24 0.22 0.00 0.70 0.00 0.00 55.95 59.08 3a8i s SER 244 Cb -0.14 -2.61 1.20 0.00 -1.71 0.00 0.00 66.02 62.76 3a8i s SER 244 CO 0.03 -0.43 1.80 1.55 1.20 0.00 0.00 173.24 177.39 3a8i h PRO 245 N 3.03 0.29 -0.14 5.44 0.13 -1.93 -1.98 132.00 136.83 3a8i h PRO 245 Ca -0.48 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 3a8i h PRO 245 Cb 1.22 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3a8i h PRO 245 CO 0.64 0.19 -0.30 -0.07 -0.23 0.00 0.00 178.00 178.23 3a8i h LEU 246 N 0.30 0.27 -0.49 1.56 3.38 -1.91 -0.11 115.31 118.32 3a8i h LEU 246 Ca 0.56 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3a8i h LEU 246 Cb 1.59 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3a8i h LEU 246 CO -0.21 0.57 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3a8i n ALA 247 N -2.48 2.40 -1.91 1.53 0.00 -0.75 -4.03 120.51 115.27 3a8i n ALA 247 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.46 3a8i n ALA 247 Cb 0.40 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.89 3a8i n ALA 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a8i n ALA 248 N -0.24 2.21 -2.72 0.00 0.00 -0.12 -3.86 120.51 115.79 3a8i n ALA 248 Ca 0.00 -1.68 -0.20 0.00 0.00 0.00 0.00 53.44 51.56 3a8i n ALA 248 Cb 0.11 -0.52 0.02 0.00 0.00 0.00 0.00 19.45 19.06 3a8i n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a8i n ASN 249 N -0.22 -5.69 -0.12 0.00 5.15 -1.21 -4.87 115.26 108.29 3a8i n ASN 249 Ca 0.05 -0.16 0.01 0.00 -0.60 0.00 0.00 54.58 53.88 3a8i n ASN 249 Cb 0.78 -4.61 0.03 0.00 -0.53 0.00 0.00 39.78 35.45 3a8i n ASN 249 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3a8i n MET 250 N -3.40 2.32 -0.34 1.20 2.81 -0.81 -4.69 117.12 114.22 3a8i n MET 250 Ca -0.16 -1.44 0.15 0.00 -1.81 0.00 0.00 57.70 54.45 3a8i n MET 250 Cb 0.64 -1.05 0.37 0.00 -0.71 0.00 0.00 33.22 32.46 3a8i n MET 250 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3a8i h GLY 251 N 0.42 1.63 2.00 3.03 0.00 -1.83 -0.86 103.07 107.46 3a8i h GLY 251 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3a8i h GLY 251 CO 0.00 -0.08 0.00 0.11 0.00 0.00 0.00 176.54 176.57 3a8i h TRP 252 N 0.67 0.00 -0.00 5.60 5.08 -1.94 -1.81 115.95 123.54 3a8i h TRP 252 Ca 0.57 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.54 3a8i h TRP 252 Cb 1.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.18 3a8i h TRP 252 CO -0.00 0.00 -0.57 0.25 -1.28 0.00 0.00 178.44 176.84 3a8i n THR 253 N -2.43 0.00 -2.80 0.12 -2.24 -0.33 -4.82 114.28 101.79 3a8i n THR 253 Ca -0.00 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 3a8i n THR 253 Cb 0.14 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 3a8i n THR 253 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3a8i s ILE 254 N -2.86 4.56 -0.89 2.28 -1.09 -0.68 -2.54 121.20 119.98 3a8i s ILE 254 Ca 0.14 1.16 -0.16 0.00 -2.23 0.00 0.00 60.65 59.55 3a8i s ILE 254 Cb 0.18 -4.36 0.18 0.00 -1.58 0.00 0.00 42.46 36.87 3a8i s ILE 254 CO 0.69 -0.59 0.96 0.00 -1.23 0.00 0.00 174.94 174.78 3a8i s ALA 255 N 3.55 3.73 0.27 9.38 0.00 -0.37 -4.84 121.76 133.48 3a8i s ALA 255 Ca 0.39 -3.05 -0.00 0.00 0.00 0.00 0.00 51.96 49.29 3a8i s ALA 255 Cb -0.12 -3.80 0.39 0.00 0.00 0.00 0.00 23.12 19.60 3a8i s ALA 255 CO 0.20 -2.64 1.77 -1.49 0.00 0.00 0.00 175.76 173.60 3a8i h TRP 256 N 8.29 0.74 -3.11 0.00 4.06 -1.93 -3.42 115.95 120.57 3a8i h TRP 256 Ca 0.14 -0.11 -0.62 0.00 2.06 0.00 0.00 58.89 60.36 3a8i h TRP 256 Cb 1.03 -0.20 -0.10 0.00 -1.00 0.00 0.00 29.16 28.88 3a8i h TRP 256 CO 1.10 0.73 -0.47 -1.21 -3.56 0.00 0.00 178.44 175.03 3a8i s GLU 257 N -4.87 4.00 0.31 0.49 0.41 -1.26 -3.28 118.70 114.50 3a8i s GLU 257 Ca -0.09 -0.16 -0.28 0.00 -0.41 0.00 0.00 54.97 54.04 3a8i s GLU 257 Cb 0.15 -3.36 -0.09 0.00 -1.78 0.00 0.00 34.13 29.04 3a8i s GLU 257 CO 0.80 0.42 1.07 -1.25 -0.49 0.00 0.00 175.26 175.81 3a8i s PRO 258 N -0.00 4.53 0.61 0.39 0.04 -1.26 -5.04 135.00 134.27 3a8i s PRO 258 Ca 0.11 1.69 0.39 0.00 0.04 0.00 0.00 61.00 63.22 3a8i s PRO 258 Cb -0.12 -3.02 1.86 0.00 0.04 0.00 0.00 34.50 33.27 3a8i s PRO 258 CO 0.00 0.15 2.17 0.00 0.04 0.00 0.00 177.00 179.36 3a8i h ALA 259 N 3.48 1.00 -0.12 8.56 0.00 -1.92 -2.44 119.26 127.82 3a8i h ALA 259 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3a8i h ALA 259 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3a8i h ALA 259 CO 0.66 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 3a8i n ASP 260 N -3.09 0.93 -4.49 0.00 5.68 -1.26 -4.62 116.55 109.70 3a8i n ASP 260 Ca -0.01 -1.73 -0.43 0.00 -0.50 0.00 0.00 54.79 52.12 3a8i n ASP 260 Cb 0.20 -0.08 -0.06 0.00 -1.14 0.00 0.00 41.12 40.04 3a8i n ASP 260 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3a8i s ARG 261 N -1.84 3.23 0.24 0.11 3.52 -0.92 -5.05 118.95 118.24 3a8i s ARG 261 Ca 0.24 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.99 3a8i s ARG 261 Cb 0.12 -4.03 -0.09 0.00 -1.56 0.00 0.00 34.95 29.39 3a8i s ARG 261 CO 0.18 -1.20 0.93 0.34 -0.81 0.00 0.00 175.30 174.75 3a8i s ASP 262 N 2.46 7.62 0.05 -2.12 2.15 -1.26 -5.01 116.67 120.56 3a8i s ASP 262 Ca 0.21 1.93 -0.03 0.00 0.43 0.00 0.00 52.55 55.09 3a8i s ASP 262 Cb -0.16 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.83 3a8i s ASP 262 CO 0.16 0.15 0.04 0.72 -0.17 0.00 0.00 175.17 176.07 3a8i s PHE 263 N -1.21 0.36 0.20 -5.34 -0.12 -1.26 -4.24 117.98 106.38 3a8i s PHE 263 Ca 0.41 -0.82 -0.31 0.00 -0.05 0.00 0.00 56.93 56.16 3a8i s PHE 263 Cb -0.25 -0.26 -0.10 0.00 -0.63 0.00 0.00 43.02 41.78 3a8i s PHE 263 CO 0.31 -0.40 1.54 0.42 -0.05 0.00 0.00 175.22 177.04 3a8i s ILE 264 N -3.49 2.55 0.00 -4.49 1.01 -0.78 -0.82 121.20 115.18 3a8i s ILE 264 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3a8i s ILE 264 Cb 0.04 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3a8i s ILE 264 CO -0.09 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.51 3a8i n GLY 265 N 3.16 1.65 0.13 6.18 0.00 -1.22 -4.53 105.19 110.56 3a8i n GLY 265 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3a8i n GLY 265 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3a8i h ARG 266 N 2.92 -0.06 -0.67 1.61 2.43 -1.31 0.01 114.38 119.32 3a8i h ARG 266 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3a8i h ARG 266 Cb 0.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3a8i h ARG 266 CO 0.00 -0.04 0.43 1.49 -1.51 0.00 0.00 179.97 180.34 3a8i h GLU 267 N -0.06 0.88 -0.57 0.20 4.81 -1.92 0.35 114.58 118.26 3a8i h GLU 267 Ca 0.09 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3a8i h GLU 267 Cb 0.20 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3a8i h GLU 267 CO -0.20 0.60 0.11 0.00 -0.73 0.00 0.00 179.01 178.78 3a8i h ALA 268 N 1.23 1.11 -0.30 2.92 0.00 -1.76 -1.57 119.26 120.90 3a8i h ALA 268 Ca 0.24 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3a8i h ALA 268 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3a8i h ALA 268 CO -0.05 0.59 -0.46 1.25 0.00 0.00 0.00 179.25 180.58 3a8i h LEU 269 N 0.86 0.86 -0.23 0.00 5.85 -0.33 0.66 115.31 122.97 3a8i h LEU 269 Ca 0.18 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3a8i h LEU 269 Cb 0.36 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3a8i h LEU 269 CO 0.01 1.18 0.12 -0.08 -0.34 0.00 0.00 178.44 179.33 3a8i h GLU 270 N 0.63 0.33 -0.35 1.25 4.57 -0.08 0.17 114.58 121.10 3a8i h GLU 270 Ca 0.04 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3a8i h GLU 270 Cb 1.03 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.50 3a8i h GLU 270 CO 0.10 0.32 -0.05 0.28 -1.18 0.00 0.00 179.01 178.48 3a8i h VAL 271 N 0.26 0.69 -0.47 0.32 2.07 -1.10 -2.60 116.25 115.41 3a8i h VAL 271 Ca 0.08 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3a8i h VAL 271 Cb 0.09 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3a8i h VAL 271 CO -0.01 0.01 0.20 1.56 0.02 0.00 0.00 177.57 179.35 3a8i h GLN 272 N 0.04 0.67 -0.09 1.57 4.20 -0.21 -2.16 115.11 119.13 3a8i h GLN 272 Ca 0.17 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 3a8i h GLN 272 Cb 0.25 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3a8i h GLN 272 CO -0.33 0.54 -0.35 -0.09 -0.67 0.00 0.00 178.83 177.93 3a8i h ARG 273 N 0.67 0.18 0.07 1.46 2.43 -0.50 -1.96 114.38 116.72 3a8i h ARG 273 Ca 0.16 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3a8i h ARG 273 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3a8i h ARG 273 CO -0.02 0.52 -0.03 0.93 -1.51 0.00 0.00 179.97 179.86 3a8i h GLU 274 N 0.16 -0.09 0.00 0.20 5.08 -1.02 -3.22 114.58 115.69 3a8i h GLU 274 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3a8i h GLU 274 Cb 0.71 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3a8i h GLU 274 CO 0.05 0.15 0.00 0.72 -1.00 0.00 0.00 179.01 178.93 3a8i n HIS 275 N -5.02 0.00 -1.24 4.33 8.25 -1.01 -5.03 115.22 115.49 3a8i n HIS 275 Ca -0.08 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.52 3a8i n HIS 275 Cb 0.16 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3a8i n HIS 275 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8i n GLY 276 N 0.61 -2.30 3.09 -1.41 0.00 -0.75 -5.03 105.19 99.39 3a8i n GLY 276 Ca 0.08 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 3a8i n GLY 276 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a8i s THR 277 N -3.89 0.22 1.00 2.61 -4.23 -1.26 -4.85 115.64 105.23 3a8i s THR 277 Ca 0.00 -1.81 -0.23 0.00 -1.18 0.00 0.00 61.69 58.47 3a8i s THR 277 Cb 0.00 -1.53 -0.16 0.00 1.34 0.00 0.00 72.50 72.15 3a8i s THR 277 CO 0.00 -0.99 -1.18 -0.62 -0.54 0.00 0.00 174.62 171.29 3a8i n GLU 278 N 0.11 -0.09 -4.07 3.99 1.02 -1.26 -4.51 120.64 115.83 3a8i n GLU 278 Ca -0.14 -0.02 -0.07 0.00 -0.02 0.00 0.00 57.16 56.90 3a8i n GLU 278 Cb 0.61 -1.06 -0.10 0.00 -0.02 0.00 0.00 31.44 30.87 3a8i n GLU 278 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3a8i s LYS 279 N -2.12 0.56 -0.21 3.49 -2.85 -0.10 -4.09 119.74 114.42 3a8i s LYS 279 Ca 0.39 -1.11 -0.13 0.00 -1.00 0.00 0.00 55.97 54.12 3a8i s LYS 279 Cb -0.01 0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 3a8i s LYS 279 CO 0.72 -0.10 0.26 -1.17 0.10 0.00 0.00 175.35 175.16 3a8i s LEU 280 N -2.66 4.16 0.31 2.77 2.96 -1.25 -0.80 118.68 124.17 3a8i s LEU 280 Ca 0.03 0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 3a8i s LEU 280 Cb 0.05 -2.29 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 3a8i s LEU 280 CO -0.08 0.03 -0.07 0.68 -1.32 0.00 0.00 176.35 175.59 3a8i s VAL 281 N 0.98 1.86 0.25 1.68 -7.23 0.13 -4.67 120.40 113.41 3a8i s VAL 281 Ca 0.13 -2.15 -0.13 0.00 -1.81 0.00 0.00 61.98 58.02 3a8i s VAL 281 Cb -0.14 -2.56 -0.08 0.00 0.56 0.00 0.00 36.38 34.17 3a8i s VAL 281 CO 0.05 -0.24 0.64 -0.83 -0.31 0.00 0.00 175.10 174.41 3a8i s GLY 282 N -3.52 2.36 0.01 2.32 0.00 0.52 -1.34 107.32 107.68 3a8i s GLY 282 Ca 0.31 -0.08 0.07 0.00 0.00 0.00 0.00 44.72 45.02 3a8i s GLY 282 CO 0.14 0.12 -0.21 1.08 0.00 0.00 0.00 173.10 174.24 3a8i s LEU 283 N -2.66 2.10 -0.06 0.66 1.43 -0.42 0.15 118.68 119.87 3a8i s LEU 283 Ca 0.48 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 3a8i s LEU 283 Cb -0.12 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.09 3a8i s LEU 283 CO 0.19 0.21 -0.14 -0.69 0.23 0.00 0.00 176.35 176.16 3a8i s VAL 284 N -0.63 1.23 -0.41 -1.59 1.01 -0.43 -0.95 120.40 118.62 3a8i s VAL 284 Ca 0.08 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3a8i s VAL 284 Cb -0.08 -1.10 0.12 0.00 0.00 0.00 0.00 36.38 35.32 3a8i s VAL 284 CO 0.00 0.37 0.18 -0.32 0.00 0.00 0.00 175.10 175.34 3a8i s MET 285 N 0.50 1.35 0.25 2.72 1.75 -0.28 -1.26 119.30 124.33 3a8i s MET 285 Ca -0.12 -1.93 -0.05 0.00 -1.25 0.00 0.00 55.69 52.34 3a8i s MET 285 Cb -0.15 -2.62 0.28 0.00 2.84 0.00 0.00 34.83 35.18 3a8i s MET 285 CO 0.04 -1.08 1.84 1.79 -0.65 0.00 0.00 175.02 176.96 3a8i h THR 286 N 5.78 1.24 -4.03 10.11 1.35 -1.87 -3.02 112.91 122.47 3a8i h THR 286 Ca -0.06 -0.71 -0.56 0.00 -0.55 0.00 0.00 66.41 64.54 3a8i h THR 286 Cb 0.95 0.29 0.16 0.00 -1.73 0.00 0.00 68.15 67.82 3a8i h THR 286 CO 0.53 0.30 0.48 -0.62 -0.25 0.00 0.00 175.52 175.96 3a8i n GLU 287 N -4.31 1.18 -1.71 4.72 4.71 -1.26 -4.85 120.64 119.13 3a8i n GLU 287 Ca 0.07 0.46 -0.41 0.00 -0.01 0.00 0.00 57.16 57.27 3a8i n GLU 287 Cb 0.15 -2.50 0.01 0.00 -1.01 0.00 0.00 31.44 28.09 3a8i n GLU 287 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3a8i n LYS 288 N -1.66 2.00 0.00 3.49 4.01 -1.26 -4.76 118.16 119.98 3a8i n LYS 288 Ca 0.15 0.71 0.00 0.00 -0.51 0.00 0.00 58.31 58.66 3a8i n LYS 288 Cb 0.47 -2.40 0.00 0.00 -0.51 0.00 0.00 35.03 32.59 3a8i n LYS 288 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3a8i n GLY 289 N 0.78 1.24 2.67 0.72 0.00 -1.26 -5.10 105.19 104.24 3a8i n GLY 289 Ca 0.06 -2.03 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 3a8i n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a8i s VAL 290 N -1.12 -0.12 0.27 1.61 1.01 -1.26 -4.31 120.40 116.48 3a8i s VAL 290 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 3a8i s VAL 290 Cb 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 36.38 36.06 3a8i s VAL 290 CO 0.00 0.11 1.44 -0.76 0.00 0.00 0.00 175.10 175.89 3a8i s LEU 291 N 2.17 4.38 0.27 3.92 1.43 -1.26 -4.99 118.68 124.61 3a8i s LEU 291 Ca 0.04 2.72 0.11 0.00 -1.03 0.00 0.00 54.13 55.98 3a8i s LEU 291 Cb -0.13 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 3a8i s LEU 291 CO -0.04 -0.71 -0.15 -0.13 0.23 0.00 0.00 176.35 175.54 3a8i s ARG 292 N -0.64 1.83 0.45 1.70 1.81 -1.26 -2.67 118.95 120.16 3a8i s ARG 292 Ca 0.58 -1.68 -0.25 0.00 -1.72 0.00 0.00 55.73 52.67 3a8i s ARG 292 Cb -0.42 -1.87 -0.09 0.00 -0.45 0.00 0.00 34.95 32.12 3a8i s ARG 292 CO 0.46 0.34 1.30 0.09 -0.68 0.00 0.00 175.30 176.81 3a8i n ASN 293 N -0.66 2.64 0.00 0.23 3.02 -1.26 -3.31 115.26 115.92 3a8i n ASN 293 Ca -0.06 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 3a8i n ASN 293 Cb 0.60 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 3a8i n ASN 293 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a8i n GLU 294 N -0.20 0.00 -2.20 3.52 1.02 -0.33 -4.98 120.64 117.46 3a8i n GLU 294 Ca 0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 3a8i n GLU 294 Cb 0.41 -2.05 -0.03 0.00 -0.02 0.00 0.00 31.44 29.76 3a8i n GLU 294 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a8i s LEU 295 N 0.00 4.44 0.42 -4.62 1.02 -1.21 -4.59 118.68 114.15 3a8i s LEU 295 Ca 0.00 2.54 -0.26 0.00 0.02 0.00 0.00 54.13 56.43 3a8i s LEU 295 Cb 0.00 -3.63 -0.09 0.00 0.02 0.00 0.00 46.19 42.49 3a8i s LEU 295 CO 0.00 -0.47 1.43 -2.84 0.02 0.00 0.00 176.35 174.49 3a8i s PRO 296 N -1.20 3.86 -0.28 1.29 0.02 -1.26 -0.92 135.00 136.50 3a8i s PRO 296 Ca 0.51 2.43 -0.03 0.00 0.02 0.00 0.00 61.00 63.93 3a8i s PRO 296 Cb -0.38 -2.77 0.03 0.00 0.02 0.00 0.00 34.50 31.40 3a8i s PRO 296 CO 0.46 -0.69 0.00 0.08 -0.33 0.00 0.00 177.00 176.53 3a8i s VAL 297 N -1.18 3.23 0.08 3.83 1.01 0.49 -4.32 120.40 123.54 3a8i s VAL 297 Ca 0.58 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3a8i s VAL 297 Cb -0.44 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3a8i s VAL 297 CO 0.57 0.06 -0.04 -0.13 0.00 0.00 0.00 175.10 175.56 3a8i s ARG 298 N 1.35 2.42 0.28 2.72 0.52 0.05 0.21 118.95 126.50 3a8i s ARG 298 Ca -0.01 -0.88 -0.19 0.00 -0.52 0.00 0.00 55.73 54.14 3a8i s ARG 298 Cb -0.18 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 32.84 3a8i s ARG 298 CO -0.01 0.54 0.66 -0.59 0.02 0.00 0.00 175.30 175.92 3a8i s PHE 299 N -1.24 -0.03 -0.08 -0.53 -0.71 -1.02 -0.48 117.98 113.88 3a8i s PHE 299 Ca 0.23 -0.41 0.00 0.00 -1.04 0.00 0.00 56.93 55.71 3a8i s PHE 299 Cb -0.11 0.58 0.02 0.00 -1.21 0.00 0.00 43.02 42.30 3a8i s PHE 299 CO 0.15 -1.19 -0.06 0.99 -1.34 0.00 0.00 175.22 173.77 3a8i s THR 300 N -3.88 0.81 0.79 -4.49 2.01 -1.26 -1.76 115.64 107.86 3a8i s THR 300 Ca 0.14 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 61.83 3a8i s THR 300 Cb -0.05 -0.84 0.06 0.00 0.01 0.00 0.00 72.50 71.69 3a8i s THR 300 CO 0.08 0.31 1.09 1.51 -0.69 0.00 0.00 174.62 176.92 3a8i s ASP 301 N 1.43 4.54 0.24 3.53 1.47 0.19 -4.90 116.67 123.17 3a8i s ASP 301 Ca -0.02 1.39 -0.12 0.00 1.18 0.00 0.00 52.55 54.98 3a8i s ASP 301 Cb -0.13 -2.14 0.31 0.00 -0.34 0.00 0.00 42.92 40.62 3a8i s ASP 301 CO -0.04 -1.95 1.59 0.00 0.68 0.00 0.00 175.17 175.45 3a8i h ALA 302 N -1.07 0.45 0.00 2.11 0.00 -1.95 0.40 119.26 119.19 3a8i h ALA 302 Ca -0.47 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3a8i h ALA 302 Cb 1.26 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3a8i h ALA 302 CO 0.58 -0.45 0.00 1.04 0.00 0.00 0.00 179.25 180.42 3a8i n GLN 303 N -5.52 0.41 -0.21 0.00 3.00 -1.26 -4.80 117.38 109.00 3a8i n GLN 303 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3a8i n GLN 303 Cb 0.41 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 29.24 3a8i n GLN 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3a8i n GLY 304 N -0.16 0.84 3.77 1.08 0.00 0.14 -5.07 105.19 105.79 3a8i n GLY 304 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3a8i n GLY 304 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a8i s ASN 305 N -2.88 6.19 -0.12 1.61 0.01 -1.25 -4.77 114.94 113.72 3a8i s ASN 305 Ca 0.00 2.57 -0.09 0.00 -0.71 0.00 0.00 52.86 54.63 3a8i s ASN 305 Cb 0.00 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 3a8i s ASN 305 CO 0.00 -0.93 0.18 -1.10 -1.51 0.00 0.00 177.10 173.74 3a8i s GLN 306 N -2.41 3.68 0.16 -0.60 1.11 -1.26 -0.64 119.66 119.70 3a8i s GLN 306 Ca 0.60 -0.06 0.03 0.00 0.01 0.00 0.00 55.36 55.93 3a8i s GLN 306 Cb -0.36 -3.25 -0.05 0.00 -1.01 0.00 0.00 33.01 28.35 3a8i s GLN 306 CO 0.45 0.65 -0.03 -1.01 0.01 0.00 0.00 175.29 175.36 3a8i s HIS 307 N -0.70 1.22 0.01 0.91 3.76 -0.72 -4.99 115.29 114.78 3a8i s HIS 307 Ca 0.15 -0.94 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 3a8i s HIS 307 Cb -0.12 -0.69 -0.01 0.00 1.11 0.00 0.00 32.58 32.87 3a8i s HIS 307 CO 0.04 -0.12 -0.02 -2.00 -0.85 0.00 0.00 174.74 171.79 3a8i s GLU 308 N -3.86 0.15 0.00 1.40 2.12 -1.26 -2.44 118.70 114.81 3a8i s GLU 308 Ca 0.21 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.34 3a8i s GLU 308 Cb 0.05 -0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.40 3a8i s GLU 308 CO 0.03 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 3a8i n GLY 309 N 2.65 7.17 3.16 -1.50 0.00 0.13 -4.53 105.19 112.26 3a8i n GLY 309 Ca -0.15 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 3a8i n GLY 309 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a8i s ILE 310 N 0.51 0.07 -0.00 -0.61 2.07 -0.33 -0.38 121.20 122.53 3a8i s ILE 310 Ca 0.00 -0.55 -0.30 0.00 -1.41 0.00 0.00 60.65 58.38 3a8i s ILE 310 Cb 0.00 -0.50 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 3a8i s ILE 310 CO 0.00 -0.30 1.06 -0.63 -1.91 0.00 0.00 174.94 173.15 3a8i s ILE 311 N -1.25 4.59 -0.12 2.00 1.01 -0.10 -0.87 121.20 126.46 3a8i s ILE 311 Ca -0.13 1.86 -0.04 0.00 0.00 0.00 0.00 60.65 62.34 3a8i s ILE 311 Cb -0.06 -4.19 -0.25 0.00 0.01 0.00 0.00 42.46 37.96 3a8i s ILE 311 CO 0.03 0.12 0.38 0.35 0.00 0.00 0.00 174.94 175.81 3a8i n THR 312 N 4.05 1.75 -3.70 2.92 -2.24 0.40 -1.19 114.28 116.26 3a8i n THR 312 Ca 0.08 -0.67 -0.11 0.00 -2.27 0.00 0.00 64.05 61.07 3a8i n THR 312 Cb 0.49 -1.62 -0.12 0.00 -2.10 0.00 0.00 70.33 66.98 3a8i n THR 312 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3a8i s SER 313 N -6.88 -0.39 0.06 3.42 0.01 -0.86 -4.61 113.70 104.45 3a8i s SER 313 Ca -0.20 0.76 0.08 0.00 1.31 0.00 0.00 55.95 57.89 3a8i s SER 313 Cb 0.07 0.66 -0.03 0.00 0.21 0.00 0.00 66.02 66.93 3a8i s SER 313 CO 0.77 -0.19 -0.21 -0.83 0.41 0.00 0.00 173.24 173.19 3a8i s GLY 314 N 1.44 1.18 0.24 3.44 0.00 -1.26 -0.09 107.32 112.27 3a8i s GLY 314 Ca -0.09 -1.13 -0.09 0.00 0.00 0.00 0.00 44.72 43.41 3a8i s GLY 314 CO -0.11 -1.07 0.49 -0.37 0.00 0.00 0.00 173.10 172.04 3a8i n THR 315 N 1.64 0.00 -3.81 0.90 5.66 0.32 -4.58 114.28 114.42 3a8i n THR 315 Ca -0.18 -0.60 -0.36 0.00 -3.05 0.00 0.00 64.05 59.86 3a8i n THR 315 Cb 0.53 0.60 -0.11 0.00 -1.55 0.00 0.00 70.33 69.81 3a8i n THR 315 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3a8i s PHE 316 N -4.78 3.20 -0.44 1.09 5.36 -1.26 -1.28 117.98 119.88 3a8i s PHE 316 Ca 0.10 -0.06 -0.26 0.00 -0.96 0.00 0.00 56.93 55.75 3a8i s PHE 316 Cb -0.03 -2.21 0.02 0.00 -0.34 0.00 0.00 43.02 40.46 3a8i s PHE 316 CO 0.07 -0.08 0.94 0.45 -1.46 0.00 0.00 175.22 175.14 3a8i s SER 317 N 1.12 6.56 0.49 6.13 0.15 -0.39 -4.90 113.70 122.86 3a8i s SER 317 Ca 0.05 0.27 0.22 0.00 0.70 0.00 0.00 55.95 57.20 3a8i s SER 317 Cb -0.14 -2.46 1.27 0.00 -1.71 0.00 0.00 66.02 62.98 3a8i s SER 317 CO 0.04 -1.01 2.04 -0.65 1.20 0.00 0.00 173.24 174.86 3a8i h PRO 318 N 8.92 0.00 0.17 5.44 0.11 -1.93 1.53 132.00 146.24 3a8i h PRO 318 Ca -0.24 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.57 3a8i h PRO 318 Cb 1.08 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.21 3a8i h PRO 318 CO 1.02 0.15 -1.32 1.15 -0.21 0.00 0.00 178.00 178.79 3a8i h THR 319 N 0.00 1.33 0.06 -1.15 2.02 -1.95 -3.33 112.91 109.89 3a8i h THR 319 Ca -0.00 -2.66 -0.30 0.00 0.77 0.00 0.00 66.41 64.22 3a8i h THR 319 Cb 0.34 2.86 -0.03 0.00 -1.74 0.00 0.00 68.15 69.58 3a8i h THR 319 CO 0.02 0.80 -1.61 -0.07 0.37 0.00 0.00 175.52 175.02 3a8i h LEU 320 N 0.19 0.20 0.00 2.58 3.38 -1.94 -3.48 115.31 116.24 3a8i h LEU 320 Ca -0.20 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3a8i h LEU 320 Cb 2.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.69 3a8i h LEU 320 CO 0.24 1.29 0.00 0.61 0.09 0.00 0.00 178.44 180.67 3a8i n GLY 321 N 1.64 0.86 3.83 0.83 0.00 0.52 -5.05 105.19 107.81 3a8i n GLY 321 Ca -0.17 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 3a8i n GLY 321 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a8i s TYR 322 N -2.00 -0.07 0.32 1.61 -0.85 -1.16 -4.97 117.35 110.24 3a8i s TYR 322 Ca 0.00 -0.43 -0.23 0.00 -0.52 0.00 0.00 57.07 55.89 3a8i s TYR 322 Cb 0.00 0.69 -0.10 0.00 0.38 0.00 0.00 41.96 42.93 3a8i s TYR 322 CO 0.00 -1.29 0.90 0.45 -1.52 0.00 0.00 175.55 174.08 3a8i s SER 323 N -2.96 7.19 0.13 -0.18 0.15 -1.14 -1.26 113.70 115.63 3a8i s SER 323 Ca 0.13 1.71 0.02 0.00 0.70 0.00 0.00 55.95 58.51 3a8i s SER 323 Cb -0.05 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 3a8i s SER 323 CO 0.08 -0.11 -0.04 0.27 1.20 0.00 0.00 173.24 174.64 3a8i s ILE 324 N -1.72 0.74 0.15 6.45 -4.36 -0.40 -1.13 121.20 120.93 3a8i s ILE 324 Ca 0.51 -1.97 -0.14 0.00 -0.26 0.00 0.00 60.65 58.80 3a8i s ILE 324 Cb -0.16 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.70 3a8i s ILE 324 CO 0.21 -0.71 0.38 0.00 0.24 0.00 0.00 174.94 175.06 3a8i s ALA 325 N -3.61 -0.63 -0.09 2.27 0.00 -0.13 -0.52 121.76 119.06 3a8i s ALA 325 Ca 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 3a8i s ALA 325 Cb 0.05 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 3a8i s ALA 325 CO -0.01 -0.67 0.02 -0.51 0.00 0.00 0.00 175.76 174.59 3a8i s LEU 326 N -2.87 3.71 -0.08 0.00 1.43 0.87 -1.31 118.68 120.44 3a8i s LEU 326 Ca 0.08 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.32 3a8i s LEU 326 Cb 0.02 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.41 3a8i s LEU 326 CO -0.07 0.38 0.19 0.00 0.23 0.00 0.00 176.35 177.09 3a8i s ALA 327 N -0.91 -0.45 -0.27 4.21 0.00 -0.45 -0.45 121.76 123.44 3a8i s ALA 327 Ca 0.14 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 3a8i s ALA 327 Cb -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3a8i s ALA 327 CO 0.03 -0.13 0.37 0.50 0.00 0.00 0.00 175.76 176.53 3a8i s ARG 328 N 0.62 4.01 0.06 0.00 3.52 -0.05 0.21 118.95 127.33 3a8i s ARG 328 Ca -0.04 0.04 -0.00 0.00 -0.13 0.00 0.00 55.73 55.59 3a8i s ARG 328 Cb -0.06 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 3a8i s ARG 328 CO -0.03 -0.28 -0.04 0.14 -0.81 0.00 0.00 175.30 174.28 3a8i s VAL 329 N 2.07 0.36 0.34 7.11 -7.23 0.02 -1.19 120.40 121.88 3a8i s VAL 329 Ca 0.15 -1.84 -0.27 0.00 -1.81 0.00 0.00 61.98 58.20 3a8i s VAL 329 Cb -0.16 -1.56 -0.12 0.00 0.56 0.00 0.00 36.38 35.10 3a8i s VAL 329 CO 0.10 -0.96 1.22 -2.65 -0.31 0.00 0.00 175.10 172.50 3a8i n PRO 330 N 0.07 1.91 -1.59 4.82 -0.02 -1.26 -0.92 135.00 138.01 3a8i n PRO 330 Ca -0.13 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 3a8i n PRO 330 Cb 0.61 -2.22 0.01 0.00 -0.02 0.00 0.00 33.50 31.87 3a8i n PRO 330 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3a8i n GLU 331 N 0.51 1.24 0.00 -0.52 -0.58 -1.26 -2.80 120.64 117.23 3a8i n GLU 331 Ca 0.06 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 3a8i n GLU 331 Cb 0.36 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 3a8i n GLU 331 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a8i n GLY 332 N 1.27 1.74 3.76 0.62 0.00 -1.26 -5.06 105.19 106.25 3a8i n GLY 332 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3a8i n GLY 332 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a8i s ILE 333 N -2.29 2.40 0.00 -0.61 2.07 -1.12 -4.96 121.20 116.69 3a8i s ILE 333 Ca 0.00 0.30 0.00 0.00 -1.41 0.00 0.00 60.65 59.54 3a8i s ILE 333 Cb 0.00 -3.15 0.00 0.00 0.13 0.00 0.00 42.46 39.44 3a8i s ILE 333 CO 0.00 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 3a8i n GLY 334 N 0.64 2.62 0.03 1.50 0.00 -1.26 -5.03 105.19 103.69 3a8i n GLY 334 Ca 0.10 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.44 3a8i n GLY 334 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a8i n GLU 335 N 0.00 0.09 -3.91 1.61 1.02 -1.26 -4.71 120.64 113.48 3a8i n GLU 335 Ca 0.00 0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 3a8i n GLU 335 Cb 0.00 -1.58 -0.08 0.00 -0.02 0.00 0.00 31.44 29.76 3a8i n GLU 335 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3a8i s THR 336 N -3.04 0.14 0.36 2.62 -4.23 -1.26 -1.43 115.64 108.79 3a8i s THR 336 Ca 0.11 -1.30 -0.14 0.00 -1.18 0.00 0.00 61.69 59.19 3a8i s THR 336 Cb 0.17 -1.45 0.04 0.00 1.34 0.00 0.00 72.50 72.59 3a8i s THR 336 CO 0.62 -0.64 0.70 0.00 -0.54 0.00 0.00 174.62 174.76 3a8i s ALA 337 N -3.89 -0.47 0.01 3.99 0.00 -0.30 -4.81 121.76 116.30 3a8i s ALA 337 Ca 0.07 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.23 3a8i s ALA 337 Cb 0.05 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 3a8i s ALA 337 CO -0.09 -0.95 -0.16 0.96 0.00 0.00 0.00 175.76 175.52 3a8i s ILE 338 N -2.75 1.27 -0.15 0.00 -4.36 0.37 -0.45 121.20 115.13 3a8i s ILE 338 Ca 0.18 -0.84 0.01 0.00 -0.26 0.00 0.00 60.65 59.75 3a8i s ILE 338 Cb -0.04 -1.09 0.02 0.00 1.25 0.00 0.00 42.46 42.60 3a8i s ILE 338 CO 0.13 0.24 -0.18 -0.69 0.24 0.00 0.00 174.94 174.67 3a8i s VAL 339 N -0.56 1.85 -0.27 8.37 1.01 0.06 -0.77 120.40 130.09 3a8i s VAL 339 Ca 0.05 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 3a8i s VAL 339 Cb -0.07 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.64 3a8i s VAL 339 CO 0.00 0.51 1.20 -1.58 0.00 0.00 0.00 175.10 175.22 3a8i s GLN 340 N 1.20 4.07 -0.26 2.72 0.74 -1.26 -1.01 119.66 125.86 3a8i s GLN 340 Ca 0.01 1.29 0.02 0.00 0.05 0.00 0.00 55.36 56.73 3a8i s GLN 340 Cb -0.14 -3.79 0.06 0.00 1.10 0.00 0.00 33.01 30.25 3a8i s GLN 340 CO -0.08 -0.91 -0.08 0.42 -0.55 0.00 0.00 175.29 174.08 3a8i s ILE 341 N 3.84 1.96 -1.50 -2.34 1.01 -0.51 -4.75 121.20 118.92 3a8i s ILE 341 Ca 0.51 -1.54 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 3a8i s ILE 341 Cb -0.16 -2.14 0.06 0.00 0.01 0.00 0.00 42.46 40.23 3a8i s ILE 341 CO 0.17 -0.09 0.73 0.54 0.00 0.00 0.00 174.94 176.29 3a8i n ARG 342 N 4.50 -4.25 0.00 2.79 1.74 -1.26 -2.36 116.66 117.83 3a8i n ARG 342 Ca -0.12 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 3a8i n ARG 342 Cb 0.43 -5.07 0.00 0.00 -1.02 0.00 0.00 32.46 26.79 3a8i n ARG 342 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a8i n ASN 343 N -2.88 0.00 -4.67 0.55 3.02 -1.26 -4.99 115.26 105.02 3a8i n ASN 343 Ca -0.11 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 53.98 3a8i n ASN 343 Cb 0.59 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.72 3a8i n ASN 343 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3a8i n ARG 344 N 0.00 2.23 -2.75 3.52 1.74 -0.99 -4.90 116.66 115.51 3a8i n ARG 344 Ca 0.00 0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 3a8i n ARG 344 Cb 0.00 -2.60 -0.03 0.00 -1.02 0.00 0.00 32.46 28.81 3a8i n ARG 344 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3a8i s GLU 345 N 1.50 3.48 -0.09 5.56 0.41 -1.26 -1.42 118.70 126.88 3a8i s GLU 345 Ca 0.81 -1.24 -0.24 0.00 -0.41 0.00 0.00 54.97 53.89 3a8i s GLU 345 Cb -0.66 -4.90 -0.03 0.00 -1.78 0.00 0.00 34.13 26.76 3a8i s GLU 345 CO 0.40 -1.97 0.73 -1.64 -0.49 0.00 0.00 175.26 172.28 3a8i s MET 346 N 4.02 4.40 0.33 1.61 -1.94 -0.18 -4.87 119.30 122.67 3a8i s MET 346 Ca 0.36 0.91 -0.26 0.00 -1.71 0.00 0.00 55.69 54.99 3a8i s MET 346 Cb -0.05 -3.48 -0.10 0.00 2.01 0.00 0.00 34.83 33.21 3a8i s MET 346 CO -0.04 -0.03 0.96 -1.25 -0.01 0.00 0.00 175.02 174.65 3a8i s PRO 347 N 1.12 4.53 0.06 2.03 0.04 -1.26 -0.76 135.00 140.76 3a8i s PRO 347 Ca 0.38 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.82 3a8i s PRO 347 Cb -0.18 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 3a8i s PRO 347 CO 0.17 0.22 -0.12 0.14 0.04 0.00 0.00 177.00 177.46 3a8i s VAL 348 N -1.61 0.87 0.03 -0.36 -7.23 0.40 -4.78 120.40 107.73 3a8i s VAL 348 Ca 0.51 -1.20 -0.22 0.00 -1.81 0.00 0.00 61.98 59.27 3a8i s VAL 348 Cb -0.19 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.81 3a8i s VAL 348 CO 0.25 -0.28 0.64 -0.75 -0.31 0.00 0.00 175.10 174.64 3a8i s LYS 349 N -1.65 4.35 -0.16 4.82 2.20 -0.39 -1.15 119.74 127.76 3a8i s LYS 349 Ca -0.05 0.83 -0.21 0.00 -0.36 0.00 0.00 55.97 56.18 3a8i s LYS 349 Cb -0.10 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3a8i s LYS 349 CO 0.01 0.40 0.63 0.08 -0.36 0.00 0.00 175.35 176.11 3a8i s VAL 350 N -0.36 5.05 0.37 4.02 1.01 -0.51 -1.31 120.40 128.66 3a8i s VAL 350 Ca 0.33 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.56 3a8i s VAL 350 Cb -0.19 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3a8i s VAL 350 CO 0.19 0.17 0.15 0.42 0.00 0.00 0.00 175.10 176.03 3a8i s THR 351 N 1.52 0.49 0.67 3.92 -4.23 0.39 -4.80 115.64 113.60 3a8i s THR 351 Ca 0.30 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.64 3a8i s THR 351 Cb -0.16 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3a8i s THR 351 CO 0.12 0.00 1.27 -1.59 -0.54 0.00 0.00 174.62 173.88 3a8i s LYS 352 N -3.72 2.42 -0.85 3.99 0.00 -1.26 -0.35 119.74 119.97 3a8i s LYS 352 Ca 0.30 1.98 -0.07 0.00 0.00 0.00 0.00 55.97 58.17 3a8i s LYS 352 Cb 0.03 -1.84 -0.15 0.00 0.00 0.00 0.00 37.83 35.88 3a8i s LYS 352 CO 0.17 -1.68 2.99 -0.35 0.00 0.00 0.00 175.35 176.48 3a8i n PRO 353 N -2.14 2.68 -3.56 1.78 -0.04 -1.26 -3.54 135.00 128.92 3a8i n PRO 353 Ca 0.15 -1.55 -0.17 0.00 -0.04 0.00 0.00 63.50 61.89 3a8i n PRO 353 Cb 0.49 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 3a8i n PRO 353 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3a8i s VAL 354 N 1.94 0.01 0.04 0.52 0.11 -1.26 -4.40 120.40 117.36 3a8i s VAL 354 Ca 0.62 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 3a8i s VAL 354 Cb 0.21 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 3a8i s VAL 354 CO -0.03 -0.04 0.00 0.49 -3.33 0.00 0.00 175.10 172.19 3a8i n PHE 355 N 1.01 -0.22 -4.06 1.54 3.01 0.20 -4.88 117.46 114.06 3a8i n PHE 355 Ca -0.19 0.04 -0.16 0.00 1.01 0.00 0.00 57.45 58.15 3a8i n PHE 355 Cb 0.57 0.16 -0.15 0.00 -0.01 0.00 0.00 39.48 40.05 3a8i n PHE 355 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3a8i s VAL 356 N -2.00 0.30 -0.03 -4.37 1.01 0.45 -0.49 120.40 115.26 3a8i s VAL 356 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 3a8i s VAL 356 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.10 3a8i s VAL 356 CO 0.00 0.11 0.12 -0.13 0.00 0.00 0.00 175.10 175.19 3a8i s ARG 357 N 0.19 0.22 -1.45 2.72 1.81 -0.74 -3.42 118.95 118.28 3a8i s ARG 357 Ca -0.02 0.01 -0.13 0.00 -1.72 0.00 0.00 55.73 53.87 3a8i s ARG 357 Cb -0.05 0.10 0.10 0.00 -0.45 0.00 0.00 34.95 34.65 3a8i s ARG 357 CO -0.00 -0.04 0.65 0.09 -0.68 0.00 0.00 175.30 175.32 3a8i n ASN 358 N 2.63 -3.70 0.00 0.23 3.02 0.13 -1.76 115.26 115.81 3a8i n ASN 358 Ca -0.15 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 3a8i n ASN 358 Cb 0.58 -3.03 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 3a8i n ASN 358 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a8i n GLY 359 N -1.30 2.66 3.16 7.41 0.00 -1.26 -5.03 105.19 110.83 3a8i n GLY 359 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3a8i n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a8i s LYS 360 N -1.00 1.10 0.30 1.61 1.02 -0.72 -5.03 119.74 117.02 3a8i s LYS 360 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 54.97 3a8i s LYS 360 Cb 0.00 -1.11 -0.12 0.00 -0.52 0.00 0.00 37.83 36.08 3a8i s LYS 360 CO 0.00 0.29 1.57 0.00 -0.92 0.00 0.00 175.35 176.29 3a8i n ALA 361 N 2.15 2.45 -2.67 5.17 0.00 -1.26 -1.80 120.51 124.55 3a8i n ALA 361 Ca -0.17 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 3a8i n ALA 361 Cb 0.54 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 3a8i n ALA 361 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3a8i s VAL 362 N -0.14 4.21 -2.00 0.00 1.01 0.35 -4.90 120.40 118.93 3a8i s VAL 362 Ca 0.63 -1.27 0.09 0.00 0.00 0.00 0.00 61.98 61.42 3a8i s VAL 362 Cb -0.50 -5.01 0.25 0.00 0.00 0.00 0.00 36.38 31.11 3a8i s VAL 362 CO 0.50 -1.84 0.97 0.00 0.00 0.00 0.00 175.10 174.73