#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 -0.81 -3.94 0.00 1.13 0.58 -4.69 117.38 109.65 3a8i n GLN 2 Ca 0.00 -1.18 -0.09 0.00 -1.94 0.00 0.00 57.00 53.79 3a8i n GLN 2 Cb 0.00 -0.79 -0.06 0.00 0.11 0.00 0.00 30.24 29.50 3a8i n GLN 2 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 3a8i s GLN 3 N -4.66 1.32 0.36 -1.09 -2.07 -1.26 -0.49 119.66 111.76 3a8i s GLN 3 Ca 0.43 -1.15 0.03 0.00 -1.82 0.00 0.00 55.36 52.85 3a8i s GLN 3 Cb -0.01 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.32 3a8i s GLN 3 CO 0.30 -0.52 0.54 0.95 -1.32 0.00 0.00 175.29 175.25 3a8i s THR 4 N -3.97 4.43 0.54 3.63 -4.23 -1.26 -4.95 115.64 109.83 3a8i s THR 4 Ca 0.18 -0.71 0.11 0.00 -1.18 0.00 0.00 61.69 60.09 3a8i s THR 4 Cb 0.01 -3.59 0.11 0.00 1.34 0.00 0.00 72.50 70.37 3a8i s THR 4 CO 0.02 -0.33 1.30 -0.65 -0.54 0.00 0.00 174.62 174.43 3a8i h PRO 5 N 0.73 0.00 -0.17 3.99 0.11 -1.99 -2.76 132.00 131.90 3a8i h PRO 5 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3a8i h PRO 5 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3a8i h PRO 5 CO 0.57 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.64 3a8i n LEU 6 N -2.47 2.56 -0.28 2.35 4.77 -1.26 -4.54 117.00 118.12 3a8i n LEU 6 Ca -0.01 -0.99 0.07 0.00 -0.03 0.00 0.00 56.01 55.05 3a8i n LEU 6 Cb 0.69 -0.10 0.17 0.00 -2.33 0.00 0.00 43.42 41.85 3a8i n LEU 6 CO 0.05 0.50 0.79 0.22 -1.33 0.00 0.00 177.39 177.61 3a8i h TYR 7 N 3.62 -0.14 0.03 -1.77 3.20 -1.87 0.53 116.97 120.56 3a8i h TYR 7 Ca 0.00 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3a8i h TYR 7 Cb 0.78 0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.25 3a8i h TYR 7 CO 0.10 -0.31 -0.01 1.49 -1.64 0.00 0.00 178.16 177.79 3a8i h GLU 8 N 0.06 -0.04 -0.92 1.82 4.57 -1.87 -2.66 114.58 115.54 3a8i h GLU 8 Ca 0.45 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.79 3a8i h GLU 8 Cb 0.80 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.31 3a8i h GLU 8 CO -0.77 0.20 0.52 1.96 -1.18 0.00 0.00 179.01 179.74 3a8i h GLN 9 N -0.27 0.70 -0.56 1.92 1.08 -1.58 0.38 115.11 116.78 3a8i h GLN 9 Ca -0.00 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3a8i h GLN 9 Cb 0.25 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 3a8i h GLN 9 CO 0.01 0.46 0.36 0.45 -0.95 0.00 0.00 178.83 179.16 3a8i h HIS 10 N 0.72 0.68 -0.03 2.96 3.86 -0.78 -1.49 115.15 121.08 3a8i h HIS 10 Ca 0.51 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.56 3a8i h HIS 10 Cb 0.71 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 3a8i h HIS 10 CO -0.05 0.42 -0.77 1.79 0.86 0.00 0.00 177.93 180.18 3a8i h THR 11 N 0.73 1.45 0.00 2.45 1.35 -0.97 0.04 112.91 117.96 3a8i h THR 11 Ca 0.21 -2.35 -0.01 0.00 -0.55 0.00 0.00 66.41 63.71 3a8i h THR 11 Cb -0.05 2.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3a8i h THR 11 CO -0.06 0.69 -0.06 0.25 -0.25 0.00 0.00 175.52 176.08 3a8i h LEU 12 N 0.14 0.00 -1.49 3.87 5.85 -0.73 -1.28 115.31 121.68 3a8i h LEU 12 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3a8i h LEU 12 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3a8i h LEU 12 CO 0.12 0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.28 3a8i n GLY 14 N 1.26 0.89 3.77 0.00 0.00 -0.48 -4.89 105.19 105.74 3a8i n GLY 14 Ca 0.17 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 2.92 -0.47 4.61 0.00 -0.08 -4.38 121.76 122.35 3a8i s ALA 15 Ca 0.00 1.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 3a8i s ALA 15 Cb 0.00 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.78 3a8i s ALA 15 CO 0.00 -0.84 0.37 1.03 0.00 0.00 0.00 175.76 176.32 3a8i s ARG 16 N -2.79 2.86 0.32 0.00 3.00 -0.12 -4.82 118.95 117.40 3a8i s ARG 16 Ca 0.66 -1.45 -0.25 0.00 0.00 0.00 0.00 55.73 54.69 3a8i s ARG 16 Cb -0.31 -4.06 -0.10 0.00 0.00 0.00 0.00 34.95 30.48 3a8i s ARG 16 CO 0.37 -1.06 0.92 -1.64 0.00 0.00 0.00 175.30 173.90 3a8i s MET 17 N 1.57 4.53 0.15 3.54 -1.94 -1.26 -1.02 119.30 124.86 3a8i s MET 17 Ca 0.04 1.27 0.02 0.00 -1.71 0.00 0.00 55.69 55.30 3a8i s MET 17 Cb -0.25 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 3a8i s MET 17 CO 0.05 0.27 -0.01 0.14 -0.01 0.00 0.00 175.02 175.45 3a8i s VAL 18 N -1.65 0.63 -0.38 -6.03 -7.23 -0.47 -4.86 120.40 100.42 3a8i s VAL 18 Ca 0.50 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 3a8i s VAL 18 Cb -0.18 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.78 3a8i s VAL 18 CO 0.23 -0.58 1.08 -0.62 -0.31 0.00 0.00 175.10 174.90 3a8i s ASP 19 N -3.13 6.81 -0.43 4.85 -1.08 -1.26 -0.98 116.67 121.45 3a8i s ASP 19 Ca 0.21 0.81 0.04 0.00 -0.52 0.00 0.00 52.55 53.09 3a8i s ASP 19 Cb 0.06 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 39.10 3a8i s ASP 19 CO 0.02 -1.00 0.15 0.12 0.52 0.00 0.00 175.17 174.98 3a8i s PHE 20 N 3.89 3.49 -1.17 -5.34 5.36 0.46 -4.75 117.98 119.91 3a8i s PHE 20 Ca 0.45 -3.08 -0.09 0.00 -0.96 0.00 0.00 56.93 53.25 3a8i s PHE 20 Cb -0.11 -2.88 -0.02 0.00 -0.34 0.00 0.00 43.02 39.67 3a8i s PHE 20 CO 0.21 -0.85 0.80 0.72 -1.46 0.00 0.00 175.22 174.64 3a8i n HIS 21 N 3.70 -2.06 -1.12 10.12 8.25 -1.26 -2.21 115.22 130.64 3a8i n HIS 21 Ca 0.04 0.70 -0.04 0.00 -0.26 0.00 0.00 57.72 58.17 3a8i n HIS 21 Cb 0.37 -3.99 -0.02 0.00 1.12 0.00 0.00 29.99 27.48 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 -1.51 0.63 3.04 -1.41 0.00 -1.26 -4.92 105.19 99.76 3a8i n GLY 22 Ca -0.16 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.89 1.21 -0.37 1.61 0.52 -0.94 0.21 118.94 119.30 3a8i s TRP 23 Ca 0.00 -0.34 -0.29 0.00 0.02 0.00 0.00 56.10 55.49 3a8i s TRP 23 Cb 0.00 -0.86 0.01 0.00 -1.15 0.00 0.00 33.47 31.48 3a8i s TRP 23 CO 0.00 -0.14 1.23 -1.64 0.02 0.00 0.00 176.95 176.42 3a8i s MET 24 N 0.22 3.83 0.12 4.98 -1.94 0.35 0.17 119.30 127.04 3a8i s MET 24 Ca -0.05 0.97 0.06 0.00 -1.71 0.00 0.00 55.69 54.96 3a8i s MET 24 Cb -0.10 -3.89 -0.04 0.00 2.01 0.00 0.00 34.83 32.81 3a8i s MET 24 CO 0.01 -1.23 -0.13 -1.64 -0.01 0.00 0.00 175.02 172.02 3a8i s MET 25 N 4.29 1.01 -0.02 2.03 -1.94 -0.15 -4.58 119.30 119.94 3a8i s MET 25 Ca 0.53 -1.25 -0.30 0.00 -1.71 0.00 0.00 55.69 52.96 3a8i s MET 25 Cb -0.13 -0.85 -0.05 0.00 2.01 0.00 0.00 34.83 35.81 3a8i s MET 25 CO 0.26 0.16 1.48 -1.25 -0.01 0.00 0.00 175.02 175.65 3a8i s PRO 26 N -2.77 4.24 0.12 2.03 0.04 -1.26 -1.36 135.00 136.04 3a8i s PRO 26 Ca 0.09 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 3a8i s PRO 26 Cb -0.04 -3.69 -0.10 0.00 0.04 0.00 0.00 34.50 30.70 3a8i s PRO 26 CO 0.03 -0.67 1.35 1.25 0.04 0.00 0.00 177.00 179.00 3a8i h LEU 27 N 8.96 0.89 -7.56 -3.56 5.85 -1.41 -1.21 115.31 117.27 3a8i h LEU 27 Ca -0.38 -0.55 0.28 0.00 0.84 0.00 0.00 57.88 58.07 3a8i h LEU 27 Cb 1.17 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.85 3a8i h LEU 27 CO 0.93 1.34 0.76 -1.38 -0.34 0.00 0.00 178.44 179.75 3a8i s HIS 28 N -3.84 -0.02 -0.25 1.25 -3.43 -1.26 -1.48 115.29 106.25 3a8i s HIS 28 Ca -0.10 -0.16 0.09 0.00 -0.80 0.00 0.00 55.06 54.10 3a8i s HIS 28 Cb 0.09 0.59 0.44 0.00 -1.43 0.00 0.00 32.58 32.27 3a8i s HIS 28 CO 0.89 -0.46 1.24 0.66 -2.00 0.00 0.00 174.74 175.08 3a8i n TYR 29 N -0.61 1.09 0.00 0.38 4.02 -1.26 -0.95 117.16 119.83 3a8i n TYR 29 Ca -0.05 -1.78 0.00 0.00 -0.01 0.00 0.00 57.90 56.06 3a8i n TYR 29 Cb 0.61 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 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 -0.98 3.51 2.84 2.72 0.00 -1.26 -4.80 105.19 107.23 3a8i n GLY 30 Ca 0.30 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 0.86 0.50 1.61 0.15 -1.26 -5.02 113.70 110.53 3a8i s SER 31 Ca 0.00 0.04 0.16 0.00 0.70 0.00 0.00 55.95 56.85 3a8i s SER 31 Cb 0.00 0.68 1.19 0.00 -1.71 0.00 0.00 66.02 66.18 3a8i s SER 31 CO 0.00 -0.31 2.09 0.06 1.20 0.00 0.00 173.24 176.29 3a8i h GLN 32 N 8.27 0.00 -0.15 5.44 3.07 -1.96 -1.72 115.11 128.06 3a8i h GLN 32 Ca -0.17 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.44 3a8i h GLN 32 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 3a8i h GLN 32 CO 0.26 0.07 -0.41 0.82 0.09 0.00 0.00 178.83 179.66 3a8i h ILE 33 N 0.00 1.35 -0.62 1.86 1.08 -1.97 -0.59 117.51 118.62 3a8i h ILE 33 Ca -0.00 -1.69 0.02 0.00 -0.39 0.00 0.00 64.86 62.80 3a8i h ILE 33 Cb 0.13 2.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 3a8i h ILE 33 CO 0.01 0.51 0.41 -0.78 -0.69 0.00 0.00 178.15 177.61 3a8i h ASP 34 N 0.16 0.68 -0.42 1.72 1.82 -1.93 -0.68 116.42 117.78 3a8i h ASP 34 Ca -0.01 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.52 3a8i h ASP 34 Cb 1.03 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.86 3a8i h ASP 34 CO 0.09 0.48 -0.11 -0.33 -1.61 0.00 0.00 179.24 177.76 3a8i h GLU 35 N 0.79 0.81 -0.76 0.28 5.08 -1.00 -1.10 114.58 118.68 3a8i h GLU 35 Ca 0.24 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3a8i h GLU 35 Cb -0.01 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3a8i h GLU 35 CO -0.06 0.93 0.44 1.25 -1.00 0.00 0.00 179.01 180.57 3a8i h HIS 36 N 0.63 1.02 -0.78 4.33 2.76 -0.88 -2.45 115.15 119.78 3a8i h HIS 36 Ca 0.11 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 3a8i h HIS 36 Cb 0.64 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 3a8i h HIS 36 CO 0.05 0.70 0.32 1.25 -1.30 0.00 0.00 177.93 178.96 3a8i h HIS 37 N 1.04 1.16 -0.85 5.26 -0.00 -0.77 -1.92 115.15 119.08 3a8i h HIS 37 Ca 0.27 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.54 3a8i h HIS 37 Cb 0.00 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.02 3a8i h HIS 37 CO -0.00 0.87 0.43 0.00 -0.00 0.00 0.00 177.93 179.23 3a8i h ALA 38 N 1.23 1.16 -0.36 5.26 0.00 -0.76 -0.07 119.26 125.73 3a8i h ALA 38 Ca 0.26 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3a8i h ALA 38 Cb 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3a8i h ALA 38 CO -0.02 0.65 -0.27 0.28 0.00 0.00 0.00 179.25 179.89 3a8i h VAL 39 N 1.20 1.28 0.00 0.00 2.07 -1.10 0.27 116.25 119.97 3a8i h VAL 39 Ca 0.30 -1.43 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 3a8i h VAL 39 Cb 0.08 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3a8i h VAL 39 CO -0.04 0.47 -0.39 0.03 0.02 0.00 0.00 177.57 177.66 3a8i h ARG 40 N 0.62 0.00 -0.00 1.57 2.47 -1.13 -3.33 114.38 114.57 3a8i h ARG 40 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3a8i h ARG 40 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 3a8i h ARG 40 CO 0.07 0.39 -0.19 0.25 0.56 0.00 0.00 179.97 181.05 3a8i n THR 41 N -3.96 0.00 0.00 2.04 -2.24 -0.06 -4.71 114.28 105.36 3a8i n THR 41 Ca -0.02 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3a8i n THR 41 Cb 0.44 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.81 0.00 -3.64 3.42 2.03 0.75 -4.77 116.55 113.53 3a8i n ASP 42 Ca 0.02 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.23 3a8i n ASP 42 Cb 0.09 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.08 -1.77 0.08 -1.67 0.00 -0.07 -0.00 121.76 117.24 3a8i s ALA 43 Ca 0.00 2.24 -0.00 0.00 0.00 0.00 0.00 51.96 54.19 3a8i s ALA 43 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 3a8i s ALA 43 CO 0.00 -0.36 -0.02 0.20 0.00 0.00 0.00 175.76 175.58 3a8i s GLY 44 N 1.29 0.65 0.05 0.00 0.00 -0.25 -1.89 107.32 107.16 3a8i s GLY 44 Ca -0.07 -1.30 -0.09 0.00 0.00 0.00 0.00 44.72 43.26 3a8i s GLY 44 CO -0.14 -1.36 0.18 -3.16 0.00 0.00 0.00 173.10 168.62 3a8i s MET 45 N -3.93 0.69 0.01 2.90 0.23 0.92 -1.13 119.30 118.99 3a8i s MET 45 Ca 0.12 -0.70 0.03 0.00 -1.03 0.00 0.00 55.69 54.11 3a8i s MET 45 Cb 0.07 0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 33.65 3a8i s MET 45 CO -0.06 -0.20 -0.08 -0.06 -2.03 0.00 0.00 175.02 172.58 3a8i s PHE 46 N -2.75 0.74 -0.37 3.16 0.40 0.01 -0.44 117.98 118.74 3a8i s PHE 46 Ca -0.04 -0.23 -0.24 0.00 -0.60 0.00 0.00 56.93 55.82 3a8i s PHE 46 Cb -0.00 -0.46 0.01 0.00 0.51 0.00 0.00 43.02 43.08 3a8i s PHE 46 CO -0.05 -0.02 0.85 0.34 0.70 0.00 0.00 175.22 177.04 3a8i s ASP 47 N -0.59 6.60 -0.28 1.36 -1.08 -1.26 -0.85 116.67 120.57 3a8i s ASP 47 Ca 0.00 0.42 0.09 0.00 -0.52 0.00 0.00 52.55 52.54 3a8i s ASP 47 Cb -0.05 -2.43 0.50 0.00 -1.46 0.00 0.00 42.92 39.48 3a8i s ASP 47 CO 0.00 -0.81 1.43 1.33 0.52 0.00 0.00 175.17 177.65 3a8i n VAL 48 N 5.91 2.51 0.36 1.11 0.24 0.74 -4.73 118.33 124.47 3a8i n VAL 48 Ca 0.05 -2.80 0.14 0.00 -2.04 0.00 0.00 64.34 59.69 3a8i n VAL 48 Cb 0.48 -0.31 0.56 0.00 -1.47 0.00 0.00 33.84 33.11 3a8i n VAL 48 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3a8i h SER 49 N 1.01 0.00 0.37 -1.34 0.02 -1.83 -2.16 113.55 109.61 3a8i h SER 49 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3a8i h SER 49 Cb 1.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.12 3a8i h SER 49 CO 0.34 0.00 -0.06 0.00 -1.14 0.00 0.00 176.83 175.97 3a8i n HIS 50 N -2.57 0.00 -2.35 3.45 1.44 -1.26 -4.76 115.22 109.17 3a8i n HIS 50 Ca 0.02 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.37 3a8i n HIS 50 Cb 0.26 -0.19 -0.01 0.00 0.12 0.00 0.00 29.99 30.17 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 -2.43 3.70 -0.08 -1.40 -1.94 -0.81 -4.18 119.30 112.15 3a8i s MET 51 Ca 0.31 1.62 -0.14 0.00 -1.71 0.00 0.00 55.69 55.77 3a8i s MET 51 Cb 0.20 -2.25 -0.05 0.00 2.01 0.00 0.00 34.83 34.75 3a8i s MET 51 CO 0.45 -0.56 0.34 0.99 -0.01 0.00 0.00 175.02 176.23 3a8i s THR 52 N -1.70 5.20 -0.12 2.05 2.01 -1.04 -4.95 115.64 117.09 3a8i s THR 52 Ca 0.66 0.67 0.01 0.00 0.31 0.00 0.00 61.69 63.34 3a8i s THR 52 Cb -0.24 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 3a8i s THR 52 CO 0.29 0.49 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.93 3a8i s ILE 53 N -0.36 2.86 -0.20 1.82 1.01 -1.26 -1.19 121.20 123.88 3a8i s ILE 53 Ca 0.20 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3a8i s ILE 53 Cb -0.15 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.18 3a8i s ILE 53 CO 0.09 0.53 -0.14 -0.69 0.00 0.00 0.00 174.94 174.73 3a8i s VAL 54 N 0.32 1.86 -0.02 2.92 1.01 -0.37 -0.84 120.40 125.28 3a8i s VAL 54 Ca -0.12 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 3a8i s VAL 54 Cb -0.16 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 3a8i s VAL 54 CO 0.06 0.30 0.43 -1.81 0.00 0.00 0.00 175.10 174.08 3a8i s ASP 55 N 1.32 6.79 -0.10 3.32 1.01 -0.09 -0.59 116.67 128.33 3a8i s ASP 55 Ca 0.00 0.94 0.02 0.00 0.71 0.00 0.00 52.55 54.22 3a8i s ASP 55 Cb -0.15 -2.26 0.02 0.00 1.01 0.00 0.00 42.92 41.53 3a8i s ASP 55 CO -0.10 0.25 -0.13 -0.76 0.21 0.00 0.00 175.17 174.64 3a8i s LEU 56 N -0.70 1.63 0.04 1.23 1.43 0.02 -0.81 118.68 121.52 3a8i s LEU 56 Ca 0.24 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 3a8i s LEU 56 Cb -0.16 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 3a8i s LEU 56 CO 0.13 0.00 -0.10 -0.13 0.23 0.00 0.00 176.35 176.48 3a8i s ARG 57 N 1.01 0.65 0.00 1.70 0.52 -0.29 -1.79 118.95 120.75 3a8i s ARG 57 Ca -0.07 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 3a8i s ARG 57 Cb -0.15 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.77 3a8i s ARG 57 CO -0.01 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.85 3a8i n GLY 58 N 1.86 4.06 0.12 -3.53 0.00 -0.70 0.05 105.19 107.05 3a8i n GLY 58 Ca -0.19 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.30 3a8i n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a8i n SER 59 N 0.00 0.59 -1.30 1.61 3.41 -1.26 -1.61 113.62 115.06 3a8i n SER 59 Ca 0.00 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 3a8i n SER 59 Cb 0.00 -0.78 0.31 0.00 -0.26 0.00 0.00 64.21 63.47 3a8i n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3a8i n ARG 60 N -2.17 2.77 -0.03 4.33 1.74 -1.26 -4.59 116.66 117.44 3a8i n ARG 60 Ca 0.02 -2.48 -0.11 0.00 -0.77 0.00 0.00 57.85 54.51 3a8i n ARG 60 Cb 0.20 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.99 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 3.92 1.14 -0.24 0.55 2.02 -1.57 0.29 112.91 119.02 3a8i h THR 61 Ca 0.00 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3a8i h THR 61 Cb 1.00 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3a8i h THR 61 CO 0.05 0.13 0.11 -0.09 0.37 0.00 0.00 175.52 176.09 3a8i h ARG 62 N 0.10 0.35 -0.50 6.66 2.43 -1.81 -0.65 114.38 120.96 3a8i h ARG 62 Ca 0.05 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3a8i h ARG 62 Cb 0.14 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 3a8i h ARG 62 CO -0.01 0.36 0.16 1.49 -1.51 0.00 0.00 179.97 180.47 3a8i h GLU 63 N 0.26 0.31 -0.36 0.20 4.81 -1.85 -0.63 114.58 117.33 3a8i h GLU 63 Ca 0.08 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3a8i h GLU 63 Cb 0.13 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3a8i h GLU 63 CO -0.01 0.21 0.23 0.35 -0.73 0.00 0.00 179.01 179.06 3a8i h PHE 64 N 0.32 0.44 -0.08 0.92 3.57 -0.12 -2.75 116.94 119.24 3a8i h PHE 64 Ca 0.24 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.63 3a8i h PHE 64 Cb 0.27 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3a8i h PHE 64 CO -0.18 0.27 -0.52 -0.07 -2.23 0.00 0.00 178.31 175.59 3a8i h LEU 65 N 0.48 0.23 -2.26 0.59 3.38 -0.61 0.30 115.31 117.41 3a8i h LEU 65 Ca 0.13 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a8i h LEU 65 Cb -0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3a8i h LEU 65 CO -0.04 0.71 -0.01 0.03 0.09 0.00 0.00 178.44 179.22 3a8i h ARG 66 N 0.16 0.00 0.13 1.13 3.08 -1.00 -1.21 114.38 116.68 3a8i h ARG 66 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 3a8i h ARG 66 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 3a8i h ARG 66 CO 0.08 0.01 -1.71 -0.92 -1.07 0.00 0.00 179.97 176.36 3a8i h TYR 67 N 0.00 0.51 -0.26 3.04 3.20 -0.92 -3.41 116.97 119.12 3a8i h TYR 67 Ca -0.00 -0.37 -0.17 0.00 3.14 0.00 0.00 58.73 61.32 3a8i h TYR 67 Cb 0.02 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3a8i h TYR 67 CO 0.00 1.52 -0.52 1.25 -1.64 0.00 0.00 178.16 178.78 3a8i h LEU 68 N 0.08 0.91 -9.60 2.82 5.85 -0.02 -2.70 115.31 112.64 3a8i h LEU 68 Ca -0.31 -0.54 -0.62 0.00 0.84 0.00 0.00 57.88 57.25 3a8i h LEU 68 Cb 2.05 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 42.72 3a8i h LEU 68 CO 0.15 1.28 -0.62 -0.76 -0.34 0.00 0.00 178.44 178.15 3a8i s LEU 69 N -8.72 3.62 0.12 2.25 1.43 -0.49 -4.39 118.68 112.49 3a8i s LEU 69 Ca -0.11 -0.16 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 3a8i s LEU 69 Cb 0.09 -2.29 -0.16 0.00 0.03 0.00 0.00 46.19 43.86 3a8i s LEU 69 CO 0.88 0.13 1.17 0.00 0.23 0.00 0.00 176.35 178.76 3a8i h ALA 70 N 2.98 0.50 -1.89 4.21 0.00 -1.78 -3.44 119.26 119.85 3a8i h ALA 70 Ca -0.47 -0.92 -0.44 0.00 0.00 0.00 0.00 54.91 53.07 3a8i h ALA 70 Cb 1.18 -0.01 0.18 0.00 0.00 0.00 0.00 17.79 19.15 3a8i h ALA 70 CO 0.62 1.18 0.42 1.21 0.00 0.00 0.00 179.25 182.68 3a8i s ASN 71 N -6.50 2.72 -0.25 0.00 3.84 -1.18 -1.48 114.94 112.09 3a8i s ASN 71 Ca 0.00 0.15 -0.01 0.00 0.21 0.00 0.00 52.86 53.22 3a8i s ASN 71 Cb 0.09 -0.09 0.07 0.00 -0.55 0.00 0.00 41.25 40.77 3a8i s ASN 71 CO 0.81 -2.97 0.02 -0.62 -2.79 0.00 0.00 177.10 171.54 3a8i s ASP 72 N -4.94 3.66 0.00 -4.21 2.15 -1.26 -4.76 116.67 107.31 3a8i s ASP 72 Ca 0.77 -1.25 0.03 0.00 0.43 0.00 0.00 52.55 52.53 3a8i s ASP 72 Cb -0.02 -0.94 0.16 0.00 -0.30 0.00 0.00 42.92 41.82 3a8i s ASP 72 CO 0.54 -0.31 1.03 1.33 -0.17 0.00 0.00 175.17 177.58 3a8i n VAL 73 N 4.81 1.41 0.28 1.11 0.24 -1.26 -0.82 118.33 124.10 3a8i n VAL 73 Ca -0.07 0.35 0.15 0.00 -2.04 0.00 0.00 64.34 62.73 3a8i n VAL 73 Cb 0.44 -1.29 0.77 0.00 -1.47 0.00 0.00 33.84 32.29 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 2.14 1.12 -0.00 2.33 0.00 -1.92 0.02 119.26 122.95 3a8i h ALA 74 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3a8i h ALA 74 Cb 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3a8i h ALA 74 CO 0.00 0.10 0.01 0.87 0.00 0.00 0.00 179.25 180.23 3a8i h LYS 75 N 0.00 0.00 -5.69 0.00 1.57 -1.41 -3.40 116.57 107.64 3a8i h LYS 75 Ca -0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3a8i h LYS 75 Cb 0.37 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.56 3a8i h LYS 75 CO 0.01 0.00 0.64 -0.51 -0.57 0.00 0.00 179.45 179.02 3a8i s LEU 76 N -6.25 4.11 0.00 2.94 1.43 -0.01 -4.81 118.68 116.10 3a8i s LEU 76 Ca -0.05 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 3a8i s LEU 76 Cb 0.13 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3a8i s LEU 76 CO 0.42 -1.46 0.21 0.35 0.23 0.00 0.00 176.35 176.10 3a8i n THR 77 N 6.06 0.00 -4.75 5.49 -2.24 -1.26 -4.96 114.28 112.62 3a8i n THR 77 Ca -0.01 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 61.02 3a8i n THR 77 Cb 0.46 1.08 -0.13 0.00 -2.10 0.00 0.00 70.33 69.65 3a8i n THR 77 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3a8i s LYS 78 N -0.41 2.97 -0.31 -0.78 2.20 -1.26 -5.07 119.74 117.07 3a8i s LYS 78 Ca 0.00 -0.65 -0.43 0.00 -0.36 0.00 0.00 55.97 54.54 3a8i s LYS 78 Cb 0.00 -2.56 -0.18 0.00 -1.51 0.00 0.00 37.83 33.58 3a8i s LYS 78 CO 0.00 0.45 1.59 0.45 -0.36 0.00 0.00 175.35 177.49 3a8i n SER 79 N 2.83 1.64 0.00 1.43 2.88 -1.26 -1.10 113.62 120.04 3a8i n SER 79 Ca -0.18 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 3a8i n SER 79 Cb 0.53 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 3a8i n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a8i n GLY 80 N 3.73 1.12 3.76 0.46 0.00 0.13 -4.90 105.19 109.49 3a8i n GLY 80 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.50 4.23 0.14 1.61 2.47 -0.26 -0.24 119.74 127.20 3a8i s LYS 81 Ca 0.00 2.39 0.11 0.00 -1.56 0.00 0.00 55.97 56.91 3a8i s LYS 81 Cb 0.00 -3.05 -0.04 0.00 -1.46 0.00 0.00 37.83 33.28 3a8i s LYS 81 CO 0.00 -0.42 -0.23 0.00 0.16 0.00 0.00 175.35 174.86 3a8i s ALA 82 N -0.59 2.52 0.13 3.13 0.00 -0.36 -0.88 121.76 125.71 3a8i s ALA 82 Ca 0.55 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3a8i s ALA 82 Cb -0.43 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 3a8i s ALA 82 CO 0.52 0.52 -0.00 -0.48 0.00 0.00 0.00 175.76 176.32 3a8i s LEU 83 N -2.26 2.16 0.10 0.00 0.05 -0.58 -4.83 118.68 113.31 3a8i s LEU 83 Ca 0.17 -1.12 -0.09 0.00 0.05 0.00 0.00 54.13 53.13 3a8i s LEU 83 Cb -0.10 0.07 -0.06 0.00 -2.05 0.00 0.00 46.19 44.05 3a8i s LEU 83 CO 0.08 -0.59 0.42 -0.47 -0.55 0.00 0.00 176.35 175.24 3a8i s TYR 84 N -3.79 3.56 0.00 3.48 5.04 -1.26 -1.83 117.35 122.55 3a8i s TYR 84 Ca 0.19 0.78 -0.20 0.00 -2.44 0.00 0.00 57.07 55.40 3a8i s TYR 84 Cb 0.07 -2.16 0.04 0.00 0.35 0.00 0.00 41.96 40.26 3a8i s TYR 84 CO -0.00 0.48 0.44 0.45 -1.34 0.00 0.00 175.55 175.58 3a8i s SER 85 N -1.90 -0.34 0.41 4.32 0.15 -0.24 -4.83 113.70 111.27 3a8i s SER 85 Ca 0.36 0.20 -0.02 0.00 0.70 0.00 0.00 55.95 57.19 3a8i s SER 85 Cb -0.13 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 3a8i s SER 85 CO 0.19 -0.57 0.66 -0.83 1.20 0.00 0.00 173.24 173.89 3a8i s GLY 86 N -1.56 1.42 -0.20 9.45 0.00 -1.26 -1.59 107.32 113.58 3a8i s GLY 86 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3a8i s GLY 86 CO 0.03 -0.61 -0.07 -0.29 0.00 0.00 0.00 173.10 172.15 3a8i s MET 87 N -4.52 1.73 0.14 2.90 0.00 -0.15 -2.34 119.30 117.05 3a8i s MET 87 Ca 0.44 -0.76 0.03 0.00 0.00 0.00 0.00 55.69 55.39 3a8i s MET 87 Cb -0.10 -2.31 -0.04 0.00 0.00 0.00 0.00 34.83 32.38 3a8i s MET 87 CO 0.40 -0.47 0.25 -0.51 0.00 0.00 0.00 175.02 174.70 3a8i s LEU 88 N 1.48 4.25 0.90 4.11 1.43 -1.26 -0.61 118.68 128.97 3a8i s LEU 88 Ca -0.02 0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.08 3a8i s LEU 88 Cb -0.16 -2.83 0.17 0.00 0.03 0.00 0.00 46.19 43.40 3a8i s LEU 88 CO -0.08 0.07 1.24 0.54 0.23 0.00 0.00 176.35 178.35 3a8i s ASN 89 N -3.14 3.54 0.58 2.29 2.20 -0.31 -4.66 114.94 115.44 3a8i s ASN 89 Ca 0.34 0.25 0.31 0.00 -0.94 0.00 0.00 52.86 52.82 3a8i s ASN 89 Cb -0.11 -0.42 1.80 0.00 -2.00 0.00 0.00 41.25 40.52 3a8i s ASN 89 CO 0.28 -2.45 2.22 0.00 -2.94 0.00 0.00 177.10 174.20 3a8i h ALA 90 N -1.36 1.39 -0.27 3.54 0.00 -1.89 -0.59 119.26 120.07 3a8i h ALA 90 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3a8i h ALA 90 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3a8i h ALA 90 CO 0.43 0.04 0.00 0.43 0.00 0.00 0.00 179.25 180.15 3a8i n SER 91 N -3.69 1.87 0.00 0.00 7.64 -1.26 -4.40 113.62 113.78 3a8i n SER 91 Ca -0.03 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.00 3a8i n SER 91 Cb 0.12 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.12 0.74 3.82 0.23 0.00 -0.23 -4.74 105.19 106.13 3a8i n GLY 92 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.97 1.63 -0.25 -0.02 0.00 -1.26 -4.04 107.32 101.41 3a8i s GLY 93 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 44.72 44.37 3a8i s GLY 93 CO 0.00 0.21 0.47 0.14 0.00 0.00 0.00 173.10 173.93 3a8i s VAL 94 N -3.17 5.11 -0.08 1.40 1.01 -0.96 -1.17 120.40 122.54 3a8i s VAL 94 Ca 0.60 0.81 -0.25 0.00 0.00 0.00 0.00 61.98 63.14 3a8i s VAL 94 Cb -0.14 -3.79 -0.27 0.00 0.00 0.00 0.00 36.38 32.18 3a8i s VAL 94 CO 0.54 0.13 0.90 0.40 0.00 0.00 0.00 175.10 177.06 3a8i h ILE 95 N 5.33 1.61 -2.88 2.22 2.04 -1.15 -2.05 117.51 122.63 3a8i h ILE 95 Ca -0.31 -2.31 0.04 0.00 1.00 0.00 0.00 64.86 63.28 3a8i h ILE 95 Cb 1.15 3.13 -0.10 0.00 -0.74 0.00 0.00 36.82 40.26 3a8i h ILE 95 CO 0.70 0.63 0.26 -0.62 0.00 0.00 0.00 178.15 179.13 3a8i s ASP 96 N -6.55 -0.41 0.25 1.72 -1.08 -1.00 -4.89 116.67 104.70 3a8i s ASP 96 Ca -0.16 -0.24 0.08 0.00 -0.52 0.00 0.00 52.55 51.71 3a8i s ASP 96 Cb -0.00 0.62 -0.04 0.00 -1.46 0.00 0.00 42.92 42.04 3a8i s ASP 96 CO 0.76 -1.06 0.14 1.51 0.52 0.00 0.00 175.17 177.04 3a8i s ASP 97 N -2.80 5.28 0.13 -0.34 -4.77 -1.26 -0.98 116.67 111.93 3a8i s ASP 97 Ca 0.06 -0.34 -0.25 0.00 -3.30 0.00 0.00 52.55 48.71 3a8i s ASP 97 Cb -0.03 -1.27 0.08 0.00 -1.09 0.00 0.00 42.92 40.61 3a8i s ASP 97 CO -0.05 -0.02 1.04 -1.48 0.70 0.00 0.00 175.17 175.36 3a8i s LEU 98 N -3.75 -0.12 -0.02 2.11 0.05 -0.62 -4.38 118.68 111.95 3a8i s LEU 98 Ca 0.32 -0.41 0.08 0.00 0.05 0.00 0.00 54.13 54.17 3a8i s LEU 98 Cb -0.08 2.00 -0.02 0.00 -2.05 0.00 0.00 46.19 46.04 3a8i s LEU 98 CO 0.24 -0.81 -0.26 -0.63 -0.55 0.00 0.00 176.35 174.34 3a8i s ILE 99 N -2.91 2.03 -0.02 1.48 1.01 -1.04 -1.08 121.20 120.67 3a8i s ILE 99 Ca 0.15 -1.09 0.06 0.00 0.00 0.00 0.00 60.65 59.76 3a8i s ILE 99 Cb -0.00 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 3a8i s ILE 99 CO 0.02 0.57 -0.20 0.54 0.00 0.00 0.00 174.94 175.87 3a8i s VAL 100 N -0.55 1.55 -0.02 2.92 0.11 -0.76 -0.98 120.40 122.66 3a8i s VAL 100 Ca 0.08 -0.83 0.08 0.00 -2.93 0.00 0.00 61.98 58.37 3a8i s VAL 100 Cb -0.10 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 3a8i s VAL 100 CO -0.00 0.44 -0.26 -0.31 -3.33 0.00 0.00 175.10 171.64 3a8i s TYR 101 N -0.43 2.32 -0.18 1.54 1.51 0.58 -1.53 117.35 121.15 3a8i s TYR 101 Ca 0.07 -0.47 -0.07 0.00 -1.01 0.00 0.00 57.07 55.58 3a8i s TYR 101 Cb -0.08 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 3a8i s TYR 101 CO -0.01 -0.06 0.06 -0.47 -1.11 0.00 0.00 175.55 173.96 3a8i s TYR 102 N -0.54 3.26 -0.02 2.71 5.04 -0.06 -0.96 117.35 126.78 3a8i s TYR 102 Ca 0.08 0.09 -0.05 0.00 -2.44 0.00 0.00 57.07 54.74 3a8i s TYR 102 Cb -0.10 -2.07 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 3a8i s TYR 102 CO -0.00 0.17 -0.11 1.19 -1.34 0.00 0.00 175.55 175.46 3a8i n PHE 103 N 3.48 0.00 -3.95 4.97 3.72 0.06 0.19 117.46 125.93 3a8i n PHE 103 Ca -0.17 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.15 3a8i n PHE 103 Cb 0.52 -0.20 -0.08 0.00 -0.94 0.00 0.00 39.48 38.78 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 -2.23 0.15 0.56 4.37 -4.23 -0.89 -4.41 115.64 108.96 3a8i s THR 104 Ca -0.10 -1.42 0.42 0.00 -1.18 0.00 0.00 61.69 59.42 3a8i s THR 104 Cb 0.02 -1.49 0.62 0.00 1.34 0.00 0.00 72.50 72.99 3a8i s THR 104 CO 0.14 -0.69 1.63 -0.08 -0.54 0.00 0.00 174.62 175.08 3a8i h GLU 105 N 2.84 0.00 -0.16 3.99 4.57 -1.98 -0.69 114.58 123.15 3a8i h GLU 105 Ca -0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 3a8i h GLU 105 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3a8i h GLU 105 CO 0.58 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 178.16 3a8i n ASP 106 N -3.92 3.12 -3.38 1.04 8.00 -1.26 -4.29 116.55 115.86 3a8i n ASP 106 Ca 0.34 -2.86 -0.11 0.00 0.71 0.00 0.00 54.79 52.87 3a8i n ASP 106 Cb 1.65 -0.43 -0.09 0.00 -0.02 0.00 0.00 41.12 42.23 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 -2.51 -0.71 0.20 1.24 5.36 -0.27 -1.72 117.98 119.57 3a8i s PHE 107 Ca 0.33 0.68 0.07 0.00 -0.96 0.00 0.00 56.93 57.05 3a8i s PHE 107 Cb 0.27 -0.07 -0.05 0.00 -0.34 0.00 0.00 43.02 42.83 3a8i s PHE 107 CO 0.07 -0.71 -0.12 -0.06 -1.46 0.00 0.00 175.22 172.94 3a8i s PHE 108 N 2.50 1.63 -0.01 10.12 0.40 -0.74 -0.76 117.98 131.12 3a8i s PHE 108 Ca 0.11 -0.64 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 3a8i s PHE 108 Cb -0.15 -0.80 -0.01 0.00 0.51 0.00 0.00 43.02 42.57 3a8i s PHE 108 CO -0.16 0.28 -0.10 0.50 0.70 0.00 0.00 175.22 176.44 3a8i s ARG 109 N -3.68 0.83 0.09 0.44 3.52 -0.13 -0.80 118.95 119.22 3a8i s ARG 109 Ca 0.22 -0.35 0.06 0.00 -0.13 0.00 0.00 55.73 55.53 3a8i s ARG 109 Cb 0.01 -0.80 -0.04 0.00 -1.56 0.00 0.00 34.95 32.56 3a8i s ARG 109 CO 0.06 0.21 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.17 3a8i s LEU 110 N -0.19 3.14 -0.11 -0.88 1.43 0.24 -0.31 118.68 122.00 3a8i s LEU 110 Ca 0.03 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3a8i s LEU 110 Cb -0.04 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3a8i s LEU 110 CO -0.00 0.19 -0.12 -0.69 0.23 0.00 0.00 176.35 175.96 3a8i s VAL 111 N -1.20 1.27 0.39 -1.59 1.01 -0.16 -1.24 120.40 118.89 3a8i s VAL 111 Ca 0.22 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.80 3a8i s VAL 111 Cb -0.11 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 3a8i s VAL 111 CO 0.14 0.40 0.00 0.68 0.00 0.00 0.00 175.10 176.32 3a8i s VAL 112 N 1.31 2.11 0.95 2.92 -7.23 -0.33 -2.48 120.40 117.65 3a8i s VAL 112 Ca -0.01 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 3a8i s VAL 112 Cb -0.14 -2.91 0.16 0.00 0.56 0.00 0.00 36.38 34.06 3a8i s VAL 112 CO -0.05 -0.06 1.09 0.20 -0.31 0.00 0.00 175.10 175.97 3a8i s ASN 113 N -3.70 2.85 -0.02 4.85 0.01 -1.26 -2.49 114.94 115.17 3a8i s ASN 113 Ca 0.35 1.64 -0.16 0.00 -0.71 0.00 0.00 52.86 53.98 3a8i s ASN 113 Cb 0.07 -2.29 -0.33 0.00 0.41 0.00 0.00 41.25 39.12 3a8i s ASN 113 CO 0.18 -3.06 0.85 0.77 -1.51 0.00 0.00 177.10 174.33 3a8i h SER 114 N -1.84 0.68 0.34 -1.22 4.64 -1.94 -3.26 113.55 110.96 3a8i h SER 114 Ca -0.51 -0.92 -0.02 0.00 -0.47 0.00 0.00 61.79 59.87 3a8i h SER 114 Cb 1.29 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3a8i h SER 114 CO 0.51 1.67 -0.08 0.00 -0.87 0.00 0.00 176.83 178.06 3a8i h ALA 115 N 0.11 1.24 -0.50 5.18 0.00 -1.91 -2.81 119.26 120.56 3a8i h ALA 115 Ca -0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3a8i h ALA 115 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3a8i h ALA 115 CO 0.21 0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.80 3a8i n THR 116 N -3.53 1.33 -0.13 0.00 -2.24 -1.24 -4.68 114.28 103.80 3a8i n THR 116 Ca -0.02 -1.14 -0.04 0.00 -2.27 0.00 0.00 64.05 60.58 3a8i n THR 116 Cb 0.20 0.33 0.04 0.00 -2.10 0.00 0.00 70.33 68.81 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 3.04 0.24 0.02 -0.78 2.43 -1.54 -1.33 114.38 116.46 3a8i h ARG 117 Ca 0.00 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 3a8i h ARG 117 Cb 1.04 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3a8i h ARG 117 CO 0.08 0.16 -0.33 0.93 -1.51 0.00 0.00 179.97 179.29 3a8i h GLU 118 N 0.24 0.19 -0.87 0.20 4.39 -1.86 -1.49 114.58 115.38 3a8i h GLU 118 Ca 0.21 -0.23 0.09 0.00 0.34 0.00 0.00 59.36 59.76 3a8i h GLU 118 Cb 0.24 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 3a8i h GLU 118 CO -0.25 1.00 0.52 -0.22 -1.16 0.00 0.00 179.01 178.90 3a8i h LYS 119 N -0.51 0.87 -0.18 2.33 3.64 -1.89 -0.55 116.57 120.26 3a8i h LYS 119 Ca -0.05 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.13 3a8i h LYS 119 Cb 1.13 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3a8i h LYS 119 CO 0.06 0.57 -0.48 -0.44 -2.27 0.00 0.00 179.45 176.90 3a8i h ASP 120 N 0.89 0.74 -0.57 4.20 5.19 -1.11 -1.03 116.42 124.73 3a8i h ASP 120 Ca 0.41 -0.58 -0.02 0.00 -0.62 0.00 0.00 57.03 56.22 3a8i h ASP 120 Cb 0.32 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 3a8i h ASP 120 CO -0.23 1.18 0.27 -0.07 -3.12 0.00 0.00 179.24 177.28 3a8i h LEU 121 N 0.33 0.78 -0.10 1.55 3.38 -0.97 0.20 115.31 120.48 3a8i h LEU 121 Ca -0.01 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.63 3a8i h LEU 121 Cb 1.10 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.66 3a8i h LEU 121 CO 0.10 0.67 -0.96 0.28 0.09 0.00 0.00 178.44 178.63 3a8i h SER 122 N 0.85 0.79 -0.62 -0.43 0.02 -0.92 0.66 113.55 113.89 3a8i h SER 122 Ca 0.21 -0.61 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 3a8i h SER 122 Cb 0.11 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3a8i h SER 122 CO -0.03 1.41 0.28 -0.25 -1.14 0.00 0.00 176.83 177.10 3a8i h TRP 123 N 0.37 0.92 -0.11 3.45 2.91 -0.78 -0.26 115.95 122.44 3a8i h TRP 123 Ca -0.10 -0.06 -0.04 0.00 1.13 0.00 0.00 58.89 59.83 3a8i h TRP 123 Cb 1.60 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 29.97 3a8i h TRP 123 CO 0.09 0.71 -0.08 0.82 -1.03 0.00 0.00 178.44 178.95 3a8i h ILE 124 N 0.86 1.34 -0.19 2.65 2.04 -0.47 -2.41 117.51 121.33 3a8i h ILE 124 Ca 0.21 -1.16 -0.11 0.00 1.00 0.00 0.00 64.86 64.80 3a8i h ILE 124 Cb 0.16 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3a8i h ILE 124 CO -0.02 0.33 -0.37 0.71 0.00 0.00 0.00 178.15 178.80 3a8i h THR 125 N -0.12 1.30 0.07 -0.27 1.35 -0.86 -1.60 112.91 112.78 3a8i h THR 125 Ca 0.02 -1.49 0.01 0.00 -0.55 0.00 0.00 66.41 64.41 3a8i h THR 125 Cb 0.56 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.53 3a8i h THR 125 CO 0.02 0.46 -0.13 -0.61 -0.25 0.00 0.00 175.52 175.01 3a8i h GLN 126 N 0.35 -0.25 0.00 4.72 4.15 -1.04 -3.23 115.11 119.82 3a8i h GLN 126 Ca 0.04 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3a8i h GLN 126 Cb 0.82 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.56 3a8i h GLN 126 CO 0.07 -0.17 -0.46 0.45 -1.93 0.00 0.00 178.83 176.79 3a8i h HIS 127 N -0.26 0.00 0.00 3.99 3.86 -1.28 -3.31 115.15 118.15 3a8i h HIS 127 Ca 0.02 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.05 3a8i h HIS 127 Cb 0.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 3a8i h HIS 127 CO -0.16 0.00 -0.84 0.00 0.86 0.00 0.00 177.93 177.80 3a8i h ALA 128 N 2.23 0.60 -0.54 2.45 0.00 -1.39 -3.39 119.26 119.23 3a8i h ALA 128 Ca 0.00 -0.72 0.11 0.00 0.00 0.00 0.00 54.91 54.29 3a8i h ALA 128 Cb 0.88 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 3a8i h ALA 128 CO 0.00 0.96 -0.16 1.49 0.00 0.00 0.00 179.25 181.54 3a8i h GLU 129 N 0.05 -0.03 0.00 0.00 4.81 -1.64 0.25 114.58 118.03 3a8i h GLU 129 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3a8i h GLU 129 Cb 1.46 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.84 3a8i h GLU 129 CO 0.12 -0.02 0.00 -0.35 -0.73 0.00 0.00 179.01 178.03 3a8i n PRO 130 N -5.40 0.18 0.00 0.92 -0.04 -1.26 -1.30 135.00 128.11 3a8i n PRO 130 Ca 0.05 0.45 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 3a8i n PRO 130 Cb 0.30 -1.87 0.62 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.22 0.00 -3.61 0.54 3.72 0.87 -4.98 117.46 111.78 3a8i n PHE 131 Ca 0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.18 3a8i n PHE 131 Cb 0.20 -0.18 0.08 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.27 -0.54 3.76 1.37 0.00 -0.42 -4.64 105.19 106.01 3a8i n GLY 132 Ca 0.15 0.25 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.32 4.70 -0.41 -0.61 -1.09 -1.24 -4.87 121.20 114.35 3a8i s ILE 133 Ca 0.56 1.51 -0.29 0.00 -2.23 0.00 0.00 60.65 60.21 3a8i s ILE 133 Cb -0.25 -4.05 0.02 0.00 -1.58 0.00 0.00 42.46 36.60 3a8i s ILE 133 CO 0.74 0.43 1.10 -0.70 -1.23 0.00 0.00 174.94 175.27 3a8i s GLU 134 N -0.42 3.85 -0.27 2.79 2.12 0.11 -4.90 118.70 121.97 3a8i s GLU 134 Ca 0.35 0.74 -0.08 0.00 0.36 0.00 0.00 54.97 56.34 3a8i s GLU 134 Cb -0.20 -3.84 -0.03 0.00 0.26 0.00 0.00 34.13 30.32 3a8i s GLU 134 CO 0.22 -1.18 0.11 0.42 -0.54 0.00 0.00 175.26 174.29 3a8i s ILE 135 N 4.09 4.53 -0.16 -3.70 1.01 -1.26 -1.14 121.20 124.58 3a8i s ILE 135 Ca 0.46 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3a8i s ILE 135 Cb -0.09 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.19 3a8i s ILE 135 CO 0.25 0.25 -0.16 -0.89 0.00 0.00 0.00 174.94 174.39 3a8i s THR 136 N 1.63 2.60 -0.41 2.92 2.01 0.01 -4.99 115.64 119.42 3a8i s THR 136 Ca 0.06 -0.79 -0.22 0.00 0.31 0.00 0.00 61.69 61.05 3a8i s THR 136 Cb -0.16 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.27 3a8i s THR 136 CO 0.05 0.51 0.73 -0.69 -0.69 0.00 0.00 174.62 174.54 3a8i s VAL 137 N 0.90 4.75 -1.39 3.82 1.01 -1.26 -0.92 120.40 127.31 3a8i s VAL 137 Ca -0.04 0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 3a8i s VAL 137 Cb -0.15 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.09 3a8i s VAL 137 CO -0.02 -0.54 2.36 0.54 0.00 0.00 0.00 175.10 177.45 3a8i n ARG 138 N 6.42 3.96 0.00 2.72 5.12 -0.02 -4.66 116.66 130.20 3a8i n ARG 138 Ca 0.01 -3.11 0.09 0.00 -1.93 0.00 0.00 57.85 52.92 3a8i n ARG 138 Cb 0.48 -2.82 0.41 0.00 -1.16 0.00 0.00 32.46 29.37 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 3.17 0.00 0.02 0.55 8.00 -1.26 -2.23 116.55 124.80 3a8i n ASP 139 Ca 0.59 0.49 0.10 0.00 0.71 0.00 0.00 54.79 56.68 3a8i n ASP 139 Cb 0.29 -0.50 0.43 0.00 -0.02 0.00 0.00 41.12 41.32 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 -1.50 0.11 -4.68 -2.24 5.75 -1.26 -4.78 116.55 107.94 3a8i n ASP 140 Ca 0.05 0.52 -0.34 0.00 -0.01 0.00 0.00 54.79 55.01 3a8i n ASP 140 Cb 0.22 -0.54 -0.09 0.00 -1.03 0.00 0.00 41.12 39.68 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 -3.22 3.56 0.45 -2.12 1.43 -0.95 -1.65 118.68 116.17 3a8i s LEU 141 Ca 0.09 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 3a8i s LEU 141 Cb 0.13 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3a8i s LEU 141 CO 0.37 0.34 0.57 -0.44 0.23 0.00 0.00 176.35 177.42 3a8i s SER 142 N -1.15 5.45 -0.19 2.29 0.01 -0.03 -4.81 113.70 115.27 3a8i s SER 142 Ca 0.16 -0.56 -0.14 0.00 1.31 0.00 0.00 55.95 56.71 3a8i s SER 142 Cb -0.11 -0.47 0.05 0.00 0.21 0.00 0.00 66.02 65.70 3a8i s SER 142 CO 0.06 -0.84 0.49 -0.32 0.41 0.00 0.00 173.24 173.04 3a8i s MET 143 N -4.36 0.53 -0.09 12.44 1.75 -1.26 -1.48 119.30 126.83 3a8i s MET 143 Ca 0.54 0.78 0.03 0.00 -1.25 0.00 0.00 55.69 55.79 3a8i s MET 143 Cb -0.08 0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.76 3a8i s MET 143 CO 0.33 -0.11 -0.19 0.42 -0.65 0.00 0.00 175.02 174.82 3a8i s ILE 144 N 0.78 1.66 -0.24 10.11 1.01 -0.46 -0.19 121.20 133.87 3a8i s ILE 144 Ca -0.04 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 3a8i s ILE 144 Cb -0.05 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 3a8i s ILE 144 CO -0.06 0.47 0.26 0.00 0.00 0.00 0.00 174.94 175.61 3a8i s ALA 145 N 0.53 3.58 -0.20 9.38 0.00 -0.03 -0.32 121.76 134.70 3a8i s ALA 145 Ca -0.16 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 3a8i s ALA 145 Cb -0.17 -2.49 -0.00 0.00 0.00 0.00 0.00 23.12 20.46 3a8i s ALA 145 CO 0.06 -0.35 -0.10 0.08 0.00 0.00 0.00 175.76 175.46 3a8i s VAL 146 N 1.38 2.98 -0.00 0.00 1.01 0.16 -0.81 120.40 125.12 3a8i s VAL 146 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3a8i s VAL 146 Cb -0.15 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3a8i s VAL 146 CO 0.07 0.47 -0.00 -1.10 0.00 0.00 0.00 175.10 174.53 3a8i s GLN 147 N 1.28 0.07 0.00 2.72 -1.52 -0.29 -0.65 119.66 121.27 3a8i s GLN 147 Ca 0.03 -0.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.44 3a8i s GLN 147 Cb -0.14 -0.10 0.00 0.00 -0.22 0.00 0.00 33.01 32.55 3a8i s GLN 147 CO -0.05 -0.00 0.00 0.41 -0.25 0.00 0.00 175.29 175.40 3a8i n GLY 148 N 3.20 3.75 0.28 3.09 0.00 -0.48 -1.09 105.19 113.95 3a8i n GLY 148 Ca -0.14 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.47 1.61 0.13 -1.58 -1.93 132.00 129.76 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 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 177.91 3a8i n ASN 150 N -3.71 4.26 -0.05 1.44 3.02 0.99 -4.70 115.26 116.52 3a8i n ASN 150 Ca -0.02 -2.57 -0.13 0.00 -0.03 0.00 0.00 54.58 51.82 3a8i n ASN 150 Cb 0.15 -0.51 -0.08 0.00 -0.61 0.00 0.00 39.78 38.73 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 3.03 0.17 -0.55 5.41 0.00 -1.33 -1.17 119.26 124.81 3a8i h ALA 151 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3a8i h ALA 151 Cb 1.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3a8i h ALA 151 CO 0.21 0.02 0.34 1.96 0.00 0.00 0.00 179.25 181.78 3a8i h GLN 152 N -0.11 0.75 -0.15 0.00 4.20 -1.84 0.18 115.11 118.13 3a8i h GLN 152 Ca 0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3a8i h GLN 152 Cb 0.62 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3a8i h GLN 152 CO 0.03 0.53 0.09 0.00 -0.67 0.00 0.00 178.83 178.81 3a8i h ALA 153 N 1.17 0.20 -0.09 3.87 0.00 -1.87 -1.48 119.26 121.07 3a8i h ALA 153 Ca 0.20 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3a8i h ALA 153 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a8i h ALA 153 CO -0.04 -0.28 0.04 0.87 0.00 0.00 0.00 179.25 179.84 3a8i h LYS 154 N 0.16 0.09 -0.69 0.00 1.57 -1.03 -2.91 116.57 113.75 3a8i h LYS 154 Ca 0.05 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 3a8i h LYS 154 Cb 0.05 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 3a8i h LYS 154 CO -0.01 0.06 0.34 0.00 -0.57 0.00 0.00 179.45 179.27 3a8i h ALA 155 N 1.04 0.95 0.00 3.86 0.00 -0.61 -2.24 119.26 122.26 3a8i h ALA 155 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a8i h ALA 155 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a8i h ALA 155 CO -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3a8i h ALA 156 N 1.41 1.00 0.00 0.00 0.00 -1.10 0.46 119.26 121.03 3a8i h ALA 156 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3a8i h ALA 156 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3a8i h ALA 156 CO -0.26 0.00 -0.06 1.79 0.00 0.00 0.00 179.25 180.72 3a8i h THR 157 N 0.00 0.21 0.00 0.00 1.35 -1.22 -2.01 112.91 111.24 3a8i h THR 157 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3a8i h THR 157 Cb 0.21 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3a8i h THR 157 CO 0.00 0.06 -0.40 0.18 -0.25 0.00 0.00 175.52 175.11 3a8i n LEU 158 N -3.26 0.44 -4.75 3.87 4.77 0.15 -4.94 117.00 113.29 3a8i n LEU 158 Ca -0.01 0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.74 3a8i n LEU 158 Cb 0.26 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 3a8i n LEU 158 CO 0.27 0.05 0.65 -0.36 -1.33 0.00 0.00 177.39 176.67 3a8i s PHE 159 N -3.03 3.98 1.05 -1.77 0.08 -0.76 -5.07 117.98 112.46 3a8i s PHE 159 Ca 0.11 1.91 -0.18 0.00 0.12 0.00 0.00 56.93 58.89 3a8i s PHE 159 Cb 0.17 -2.98 0.25 0.00 -0.57 0.00 0.00 43.02 39.89 3a8i s PHE 159 CO 0.66 0.45 1.08 0.27 -0.10 0.00 0.00 175.22 177.58 3a8i n ASN 160 N 1.56 -1.26 -0.19 1.36 0.23 -1.26 -4.73 115.26 110.97 3a8i n ASN 160 Ca -0.02 -1.23 -0.07 0.00 -0.53 0.00 0.00 54.58 52.73 3a8i n ASN 160 Cb 0.47 -0.93 0.02 0.00 -2.08 0.00 0.00 39.78 37.27 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 -2.24 0.65 -0.25 0.53 5.19 -1.99 -1.41 116.42 116.91 3a8i h ASP 161 Ca -0.38 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3a8i h ASP 161 Cb 1.13 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 3a8i h ASP 161 CO 0.26 0.52 0.15 0.00 -3.12 0.00 0.00 179.24 177.05 3a8i h ALA 162 N 1.16 0.32 -0.68 3.45 0.00 -1.99 0.20 119.26 121.72 3a8i h ALA 162 Ca 0.20 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3a8i h ALA 162 Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3a8i h ALA 162 CO -0.04 -0.18 0.44 1.96 0.00 0.00 0.00 179.25 181.43 3a8i h GLN 163 N 0.31 0.85 -0.64 0.00 4.20 -1.86 -0.24 115.11 117.74 3a8i h GLN 163 Ca 0.09 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3a8i h GLN 163 Cb 0.01 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 3a8i h GLN 163 CO -0.02 0.56 0.24 0.00 -0.67 0.00 0.00 178.83 178.95 3a8i h ARG 164 N 0.88 0.96 -0.26 1.46 3.08 -0.97 -2.57 114.38 116.96 3a8i h ARG 164 Ca 0.26 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 60.18 3a8i h ARG 164 Cb -0.04 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 3a8i h ARG 164 CO -0.08 0.82 -0.02 1.96 -1.07 0.00 0.00 179.97 181.57 3a8i h GLN 165 N 0.90 0.05 -0.96 0.04 1.08 -0.40 -2.30 115.11 113.52 3a8i h GLN 165 Ca 0.21 -0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.56 3a8i h GLN 165 Cb 0.23 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.56 3a8i h GLN 165 CO -0.01 0.03 0.61 0.00 -0.95 0.00 0.00 178.83 178.50 3a8i h ALA 166 N 1.24 1.72 -0.17 3.87 0.00 -0.78 -2.98 119.26 122.17 3a8i h ALA 166 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3a8i h ALA 166 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3a8i h ALA 166 CO -0.23 -0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.34 3a8i n VAL 167 N -4.62 0.22 -2.38 0.00 0.24 -0.99 -4.93 118.33 105.88 3a8i n VAL 167 Ca 0.19 -0.61 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 3a8i n VAL 167 Cb 0.47 1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 34.04 3a8i n VAL 167 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3a8i s GLU 168 N -1.57 4.35 0.00 7.34 2.56 -0.88 -1.23 118.70 129.26 3a8i s GLU 168 Ca 0.29 1.79 0.00 0.00 0.00 0.00 0.00 54.97 57.05 3a8i s GLU 168 Cb 0.19 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.82 3a8i s GLU 168 CO 0.27 -0.44 0.00 0.41 -0.56 0.00 0.00 175.26 174.94 3a8i n GLY 169 N 3.41 0.78 3.67 -1.50 0.00 -1.26 -4.98 105.19 105.32 3a8i n GLY 169 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.20 4.19 0.86 1.61 1.75 -0.37 -4.97 119.30 122.17 3a8i s MET 170 Ca 0.00 2.26 -0.12 0.00 -1.25 0.00 0.00 55.69 56.59 3a8i s MET 170 Cb 0.00 -3.84 0.11 0.00 2.84 0.00 0.00 34.83 33.94 3a8i s MET 170 CO 0.00 -0.80 1.10 0.15 -0.65 0.00 0.00 175.02 174.82 3a8i s LYS 171 N 3.47 1.59 0.58 4.11 -0.14 -1.26 -5.02 119.74 123.07 3a8i s LYS 171 Ca 0.74 0.64 -0.19 0.00 -1.36 0.00 0.00 55.97 55.79 3a8i s LYS 171 Cb -0.36 -1.86 -0.05 0.00 -1.68 0.00 0.00 37.83 33.87 3a8i s LYS 171 CO 0.31 -1.96 1.05 -2.30 -0.76 0.00 0.00 175.35 171.69 3a8i n PRO 172 N -3.67 1.08 -3.42 -1.68 -0.02 -1.26 -3.84 135.00 122.20 3a8i n PRO 172 Ca 0.07 0.41 -0.18 0.00 -2.02 0.00 0.00 63.50 61.78 3a8i n PRO 172 Cb 0.56 -2.25 0.07 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.52 -2.24 -4.12 6.00 3.01 0.10 -4.94 117.46 113.75 3a8i n PHE 173 Ca 0.13 0.84 -0.13 0.00 1.01 0.00 0.00 57.45 59.30 3a8i n PHE 173 Cb 0.46 -4.41 -0.11 0.00 -0.01 0.00 0.00 39.48 35.41 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 -3.43 0.84 0.02 1.38 0.08 -1.25 -1.22 117.98 114.40 3a8i s PHE 174 Ca 0.25 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.69 3a8i s PHE 174 Cb -0.04 -0.48 -0.02 0.00 -0.57 0.00 0.00 43.02 41.91 3a8i s PHE 174 CO 0.76 -0.07 -0.07 0.20 -0.10 0.00 0.00 175.22 175.94 3a8i s GLY 175 N -2.10 0.41 -0.07 4.36 0.00 0.67 -0.06 107.32 110.53 3a8i s GLY 175 Ca -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 44.72 44.11 3a8i s GLY 175 CO -0.01 -0.57 0.17 0.54 0.00 0.00 0.00 173.10 173.23 3a8i s VAL 176 N -0.88 -0.03 -0.20 1.40 0.11 0.31 -4.35 120.40 116.76 3a8i s VAL 176 Ca -0.05 0.11 -0.25 0.00 -2.93 0.00 0.00 61.98 58.85 3a8i s VAL 176 Cb -0.07 -0.26 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 3a8i s VAL 176 CO 0.00 0.04 0.85 -1.58 -3.33 0.00 0.00 175.10 171.09 3a8i s GLN 177 N 0.78 4.26 -0.34 1.54 2.00 -1.26 -0.95 119.66 125.68 3a8i s GLN 177 Ca -0.06 1.03 -0.00 0.00 -2.00 0.00 0.00 55.36 54.33 3a8i s GLN 177 Cb -0.07 -3.60 0.11 0.00 0.80 0.00 0.00 33.01 30.25 3a8i s GLN 177 CO -0.04 -0.42 0.14 0.00 -0.50 0.00 0.00 175.29 174.47 3a8i s ALA 178 N 2.47 1.53 0.00 1.58 0.00 0.88 -5.01 121.76 123.22 3a8i s ALA 178 Ca 0.38 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3a8i s ALA 178 Cb -0.16 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3a8i s ALA 178 CO 0.10 -1.80 0.00 0.41 0.00 0.00 0.00 175.76 174.48 3a8i n GLY 179 N 4.52 2.61 1.06 0.00 0.00 -1.26 -2.23 105.19 109.89 3a8i n GLY 179 Ca 0.01 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.71 3a8i n GLY 179 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a8i n ASP 180 N 3.11 3.08 -4.66 1.61 5.68 -1.26 -4.77 116.55 119.33 3a8i n ASP 180 Ca 0.00 -2.23 -0.35 0.00 -0.50 0.00 0.00 54.79 51.72 3a8i n ASP 180 Cb 0.00 -0.43 -0.09 0.00 -1.14 0.00 0.00 41.12 39.45 3a8i n ASP 180 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3a8i s LEU 181 N -1.29 3.78 -0.25 -2.12 1.43 -0.95 -4.29 118.68 115.00 3a8i s LEU 181 Ca 0.33 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 3a8i s LEU 181 Cb 0.20 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 3a8i s LEU 181 CO 0.17 0.24 0.09 0.12 0.23 0.00 0.00 176.35 177.20 3a8i s PHE 182 N -0.03 3.12 -0.13 0.29 5.36 0.28 -0.08 117.98 126.80 3a8i s PHE 182 Ca 0.06 -0.27 0.02 0.00 -0.96 0.00 0.00 56.93 55.77 3a8i s PHE 182 Cb -0.12 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.30 3a8i s PHE 182 CO 0.01 -0.28 -0.20 0.42 -1.46 0.00 0.00 175.22 173.71 3a8i s ILE 183 N 1.56 2.36 0.02 3.12 1.01 -0.13 -1.06 121.20 128.08 3a8i s ILE 183 Ca 0.06 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3a8i s ILE 183 Cb -0.15 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 3a8i s ILE 183 CO 0.05 0.54 -0.06 0.00 0.00 0.00 0.00 174.94 175.47 3a8i s ALA 184 N 0.60 0.44 -1.11 9.38 0.00 -0.52 -0.53 121.76 130.01 3a8i s ALA 184 Ca -0.11 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 3a8i s ALA 184 Cb -0.16 -0.01 0.27 0.00 0.00 0.00 0.00 23.12 23.22 3a8i s ALA 184 CO 0.03 0.02 1.80 0.25 0.00 0.00 0.00 175.76 177.87 3a8i n THR 185 N 2.20 5.58 -4.35 0.00 -2.24 0.91 -1.09 114.28 115.29 3a8i n THR 185 Ca -0.18 -5.59 -0.18 0.00 -2.27 0.00 0.00 64.05 55.83 3a8i n THR 185 Cb 0.56 -1.87 -0.10 0.00 -2.10 0.00 0.00 70.33 66.82 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 -2.95 1.25 0.00 4.28 -4.23 -1.26 -0.72 115.64 112.01 3a8i s THR 186 Ca 0.39 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 3a8i s THR 186 Cb 0.13 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.69 3a8i s THR 186 CO -0.03 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 3a8i n GLY 187 N -0.43 -0.59 1.70 3.99 0.00 -1.26 -3.54 105.19 105.06 3a8i n GLY 187 Ca -0.06 -1.02 0.03 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.20 0.19 0.00 1.61 9.36 -1.26 -4.82 117.16 122.04 3a8i n TYR 188 Ca 0.00 -0.76 0.00 0.00 3.32 0.00 0.00 57.90 60.46 3a8i n TYR 188 Cb 0.00 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 38.56 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 0.32 0.00 -0.31 2.97 -2.24 -1.26 -3.52 114.28 110.23 3a8i n THR 189 Ca 0.06 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3a8i n THR 189 Cb 1.09 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 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 1.49 0.68 3.78 3.38 0.00 -1.26 -4.63 105.19 108.63 3a8i n GLY 190 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.69 2.37 0.88 1.61 0.41 -1.26 -4.48 118.70 117.54 3a8i s GLU 191 Ca 0.00 -1.66 -0.12 0.00 -0.41 0.00 0.00 54.97 52.78 3a8i s GLU 191 Cb 0.00 -2.17 0.12 0.00 -1.78 0.00 0.00 34.13 30.30 3a8i s GLU 191 CO 0.00 -0.08 1.10 0.00 -0.49 0.00 0.00 175.26 175.79 3a8i s ALA 192 N -2.51 1.72 0.00 5.21 0.00 -1.26 -4.76 121.76 120.16 3a8i s ALA 192 Ca 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3a8i s ALA 192 Cb -0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3a8i s ALA 192 CO 0.24 -2.21 0.00 0.41 0.00 0.00 0.00 175.76 174.21 3a8i n GLY 193 N -1.59 -0.58 3.18 0.00 0.00 -1.26 -1.38 105.19 103.56 3a8i n GLY 193 Ca 0.07 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.99 1.07 -0.16 1.61 2.02 0.17 -4.36 117.35 114.71 3a8i s TYR 194 Ca 0.00 -0.64 -0.06 0.00 -0.37 0.00 0.00 57.07 56.00 3a8i s TYR 194 Cb 0.00 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 3a8i s TYR 194 CO 0.00 0.00 0.03 -1.21 -1.57 0.00 0.00 175.55 172.80 3a8i s GLU 195 N -2.73 3.80 -0.19 -0.62 2.02 -0.25 0.36 118.70 121.08 3a8i s GLU 195 Ca 0.05 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.65 3a8i s GLU 195 Cb -0.03 -3.08 0.02 0.00 0.10 0.00 0.00 34.13 31.14 3a8i s GLU 195 CO 0.00 0.31 -0.18 0.42 0.02 0.00 0.00 175.26 175.83 3a8i s ILE 196 N 0.24 2.15 -0.05 -1.63 1.01 0.57 -1.44 121.20 122.06 3a8i s ILE 196 Ca 0.01 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 3a8i s ILE 196 Cb -0.13 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 3a8i s ILE 196 CO 0.01 0.46 -0.01 0.00 0.00 0.00 0.00 174.94 175.40 3a8i s ALA 197 N 1.28 3.25 0.22 9.38 0.00 -0.22 -1.35 121.76 134.31 3a8i s ALA 197 Ca 0.03 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 3a8i s ALA 197 Cb -0.14 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.64 3a8i s ALA 197 CO -0.11 0.61 0.66 -0.48 0.00 0.00 0.00 175.76 176.44 3a8i s LEU 198 N -1.17 -0.41 0.54 0.00 2.34 -0.55 -0.55 118.68 118.88 3a8i s LEU 198 Ca 0.16 -0.31 -0.22 0.00 0.06 0.00 0.00 54.13 53.82 3a8i s LEU 198 Cb -0.11 2.66 -0.05 0.00 -0.56 0.00 0.00 46.19 48.13 3a8i s LEU 198 CO 0.06 -1.16 1.37 -2.65 -1.06 0.00 0.00 176.35 172.90 3a8i n PRO 199 N -0.42 1.75 -0.35 1.48 -0.02 -1.26 -0.85 135.00 135.33 3a8i n PRO 199 Ca -0.10 0.64 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 3a8i n PRO 199 Cb 0.62 -2.58 0.31 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.51 0.76 0.36 2.55 2.35 -1.63 0.18 115.58 121.66 3a8i h ASN 200 Ca -0.51 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 3a8i h ASN 200 Cb 1.30 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3a8i h ASN 200 CO 0.57 0.27 0.00 -1.84 -1.65 0.00 0.00 177.43 174.79 3a8i n GLU 201 N -4.78 0.21 0.00 0.81 0.00 -1.26 -1.90 120.64 113.72 3a8i n GLU 201 Ca 0.23 0.14 0.04 0.00 0.00 0.00 0.00 57.16 57.57 3a8i n GLU 201 Cb 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.49 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 -1.32 2.05 -0.03 3.44 5.02 0.59 -4.77 118.16 123.16 3a8i n LYS 202 Ca 0.08 -0.59 -0.16 0.00 -2.02 0.00 0.00 58.31 55.61 3a8i n LYS 202 Cb 0.15 -1.06 -0.09 0.00 -0.02 0.00 0.00 35.03 34.01 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 1.57 0.17 -0.64 7.82 0.00 -1.09 -2.44 119.26 124.67 3a8i h ALA 203 Ca 0.00 -0.50 0.13 0.00 0.00 0.00 0.00 54.91 54.54 3a8i h ALA 203 Cb 0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.97 3a8i h ALA 203 CO 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 179.25 179.43 3a8i h ALA 204 N 0.45 0.42 -0.39 0.00 0.00 -1.84 0.11 119.26 118.01 3a8i h ALA 204 Ca -0.03 0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3a8i h ALA 204 Cb 1.13 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3a8i h ALA 204 CO 0.10 -0.42 -0.21 -0.44 0.00 0.00 0.00 179.25 178.27 3a8i h ASP 205 N 0.00 0.79 -0.47 0.00 5.19 -1.88 -1.60 116.42 118.45 3a8i h ASP 205 Ca 0.31 -0.28 -0.10 0.00 -0.62 0.00 0.00 57.03 56.34 3a8i h ASP 205 Cb 0.46 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 3a8i h ASP 205 CO -0.65 0.98 -0.08 0.15 -3.12 0.00 0.00 179.24 176.51 3a8i h PHE 206 N 0.68 0.99 0.02 4.55 3.57 -0.88 -1.36 116.94 124.51 3a8i h PHE 206 Ca 0.10 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3a8i h PHE 206 Cb 0.72 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 3a8i h PHE 206 CO 0.04 0.96 -0.03 2.35 -2.23 0.00 0.00 178.31 179.40 3a8i h TRP 207 N 0.73 -0.07 -0.17 0.41 2.91 -0.65 0.87 115.95 119.99 3a8i h TRP 207 Ca 0.12 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.20 3a8i h TRP 207 Cb 0.62 0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.24 3a8i h TRP 207 CO 0.05 -0.05 -0.28 -0.09 -1.03 0.00 0.00 178.44 177.04 3a8i h ARG 208 N -0.06 -0.32 -0.74 2.65 2.43 -1.20 -0.68 114.38 116.45 3a8i h ARG 208 Ca 0.01 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3a8i h ARG 208 Cb 0.07 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3a8i h ARG 208 CO -0.02 -0.22 0.49 0.00 -1.51 0.00 0.00 179.97 178.71 3a8i h ALA 209 N 0.57 1.73 -0.47 2.80 0.00 -0.92 -1.95 119.26 121.02 3a8i h ALA 209 Ca 0.11 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3a8i h ALA 209 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3a8i h ALA 209 CO -0.36 0.14 0.03 -0.07 0.00 0.00 0.00 179.25 178.99 3a8i h LEU 210 N 0.73 0.79 -0.11 0.00 3.38 0.56 -0.57 115.31 120.09 3a8i h LEU 210 Ca 0.33 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3a8i h LEU 210 Cb 0.32 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3a8i h LEU 210 CO -0.11 0.88 -0.25 0.58 0.09 0.00 0.00 178.44 179.64 3a8i h VAL 211 N 0.67 0.41 0.00 1.22 2.07 -0.81 -1.65 116.25 118.16 3a8i h VAL 211 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3a8i h VAL 211 Cb 0.46 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3a8i h VAL 211 CO 0.02 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.24 3a8i h GLU 212 N -0.32 0.00 -0.04 1.57 5.08 -1.23 0.12 114.58 119.77 3a8i h GLU 212 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3a8i h GLU 212 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3a8i h GLU 212 CO -0.30 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 177.75 3a8i n ALA 213 N -2.22 2.61 -0.37 3.43 0.00 -0.23 -4.91 120.51 118.82 3a8i n ALA 213 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3a8i n ALA 213 Cb 0.15 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.00 0.79 3.65 0.00 0.00 0.43 -4.90 105.19 106.17 3a8i n GLY 214 Ca 0.18 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 4.99 0.01 1.61 1.01 -0.86 -4.74 120.40 120.42 3a8i s VAL 215 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 3a8i s VAL 215 Cb 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3a8i s VAL 215 CO 0.00 0.07 1.28 -0.75 0.00 0.00 0.00 175.10 175.70 3a8i s LYS 216 N 2.14 4.35 0.15 2.72 2.20 -0.79 -4.23 119.74 126.28 3a8i s LYS 216 Ca 0.29 1.83 -0.31 0.00 -0.36 0.00 0.00 55.97 57.41 3a8i s LYS 216 Cb -0.16 -3.48 -0.10 0.00 -1.51 0.00 0.00 37.83 32.58 3a8i s LYS 216 CO 0.10 -0.43 1.71 -2.14 -0.36 0.00 0.00 175.35 174.22 3a8i s PRO 217 N 1.85 4.16 -0.00 4.03 0.02 -1.26 -0.06 135.00 143.74 3a8i s PRO 217 Ca 0.60 2.51 0.05 0.00 0.02 0.00 0.00 61.00 64.18 3a8i s PRO 217 Cb -0.29 -3.32 -0.01 0.00 0.02 0.00 0.00 34.50 30.90 3a8i s PRO 217 CO 0.26 -0.74 -0.17 0.00 -0.33 0.00 0.00 177.00 176.02 3a8i n GLY 219 N 2.53 2.57 0.22 0.00 0.00 -1.26 -4.37 105.19 104.87 3a8i n GLY 219 Ca -0.15 -2.10 0.04 0.00 0.00 0.00 0.00 46.02 43.81 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 0.05 0.21 0.99 3.38 -0.88 -1.32 115.31 117.74 3a8i h LEU 220 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a8i h LEU 220 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3a8i h LEU 220 CO 0.00 0.26 -0.17 1.23 0.09 0.00 0.00 178.44 179.85 3a8i h GLY 221 N 0.70 -0.39 1.65 0.83 0.00 -1.53 -1.12 103.07 103.21 3a8i h GLY 221 Ca 0.01 0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.37 3a8i h GLY 221 CO 0.03 -0.17 -0.63 0.00 0.00 0.00 0.00 176.54 175.77 3a8i h ALA 222 N 0.36 0.74 -0.41 3.60 0.00 -1.70 -2.69 119.26 119.17 3a8i h ALA 222 Ca -0.01 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.41 3a8i h ALA 222 Cb 0.35 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3a8i h ALA 222 CO -0.02 0.73 0.07 -0.09 0.00 0.00 0.00 179.25 179.94 3a8i h ARG 223 N 0.26 0.19 -0.25 0.00 2.43 -0.81 -0.91 114.38 115.29 3a8i h ARG 223 Ca -0.01 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3a8i h ARG 223 Cb 1.17 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3a8i h ARG 223 CO 0.11 0.12 0.09 0.22 -1.51 0.00 0.00 179.97 179.00 3a8i h ASP 224 N 0.19 0.12 0.10 -3.80 3.58 -1.04 -1.48 116.42 114.09 3a8i h ASP 224 Ca 0.20 0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.52 3a8i h ASP 224 Cb 0.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 3a8i h ASP 224 CO -0.27 0.10 -0.52 0.71 -2.88 0.00 0.00 179.24 176.38 3a8i h THR 225 N 0.21 1.33 0.23 2.25 1.35 -1.15 -1.81 112.91 115.33 3a8i h THR 225 Ca 0.11 -1.77 -0.01 0.00 -0.55 0.00 0.00 66.41 64.18 3a8i h THR 225 Cb 0.06 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3a8i h THR 225 CO -0.10 0.54 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.54 3a8i h LEU 226 N 0.36 -0.26 -0.94 3.87 3.38 -1.21 -2.35 115.31 118.17 3a8i h LEU 226 Ca 0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3a8i h LEU 226 Cb 1.04 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3a8i h LEU 226 CO 0.09 -0.07 0.23 0.08 0.09 0.00 0.00 178.44 178.86 3a8i h ARG 227 N -0.43 1.00 -0.31 1.13 -0.00 -1.25 -2.04 114.38 112.48 3a8i h ARG 227 Ca -0.03 -0.19 -0.06 0.00 -0.00 0.00 0.00 59.98 59.70 3a8i h ARG 227 Cb 0.33 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.97 30.13 3a8i h ARG 227 CO 0.05 0.84 -0.03 1.25 -0.00 0.00 0.00 179.97 182.08 3a8i h LEU 228 N 0.97 0.56 -0.85 0.08 5.85 -1.33 -1.20 115.31 119.39 3a8i h LEU 228 Ca 0.22 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.69 3a8i h LEU 228 Cb 0.24 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 3a8i h LEU 228 CO -0.01 0.76 0.51 -0.33 -0.34 0.00 0.00 178.44 179.03 3a8i h GLU 229 N 0.35 0.85 0.00 1.25 5.08 -1.32 0.05 114.58 120.83 3a8i h GLU 229 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3a8i h GLU 229 Cb 0.49 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3a8i h GLU 229 CO 0.02 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 3a8i n ALA 230 N -2.37 1.90 -0.97 3.43 0.00 -0.77 -0.52 120.51 121.21 3a8i n ALA 230 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3a8i n ALA 230 Cb 0.24 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.63 3.83 0.00 0.00 0.00 -4.74 105.19 105.43 3a8i n GLY 231 Ca 0.05 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.03 3.63 0.58 1.61 -1.94 -0.53 -4.89 119.30 115.73 3a8i s MET 232 Ca 0.00 -0.16 -0.16 0.00 -1.71 0.00 0.00 55.69 53.66 3a8i s MET 232 Cb 0.00 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.55 3a8i s MET 232 CO 0.00 0.65 1.05 -0.80 -0.01 0.00 0.00 175.02 175.90 3a8i s ASN 233 N -0.65 5.93 -0.20 3.03 0.01 -1.26 -4.49 114.94 117.31 3a8i s ASN 233 Ca 0.13 1.78 0.02 0.00 -0.71 0.00 0.00 52.86 54.08 3a8i s ASN 233 Cb -0.12 -2.53 0.03 0.00 0.41 0.00 0.00 41.25 39.04 3a8i s ASN 233 CO 0.02 -1.07 -0.17 -0.22 -1.51 0.00 0.00 177.10 174.16 3a8i s LEU 234 N -4.40 2.50 0.33 0.60 2.96 -1.26 -5.02 118.68 114.39 3a8i s LEU 234 Ca 0.63 -0.87 -0.29 0.00 -0.22 0.00 0.00 54.13 53.38 3a8i s LEU 234 Cb -0.15 -1.48 -0.12 0.00 0.50 0.00 0.00 46.19 44.94 3a8i s LEU 234 CO 0.36 -0.06 1.48 0.00 -1.32 0.00 0.00 176.35 176.80 3a8i n TYR 235 N 4.57 2.72 0.00 5.38 9.36 -1.26 -1.24 117.16 136.69 3a8i n TYR 235 Ca -0.19 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.44 3a8i n TYR 235 Cb 0.48 -2.52 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 1.26 2.47 1.07 2.98 0.00 -0.07 -4.87 105.19 108.03 3a8i n GLY 236 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.19 1.61 6.02 -0.37 -4.77 117.38 118.06 3a8i n GLN 237 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 3a8i n GLN 237 Cb 0.00 -0.40 0.38 0.00 1.02 0.00 0.00 30.24 31.23 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 0.00 0.00 -3.14 -1.09 3.07 -1.71 -3.45 114.58 108.27 3a8i h GLU 238 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3a8i h GLU 238 Cb 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.81 3a8i h GLU 238 CO 0.00 0.37 0.13 0.00 -1.40 0.00 0.00 179.01 178.11 3a8i s MET 239 N -3.86 1.39 0.00 2.33 0.23 -1.26 -4.64 119.30 113.48 3a8i s MET 239 Ca -0.01 -0.71 0.00 0.00 -1.03 0.00 0.00 55.69 53.93 3a8i s MET 239 Cb 0.12 0.56 0.00 0.00 -1.53 0.00 0.00 34.83 33.98 3a8i s MET 239 CO 0.69 -0.60 0.00 -0.40 -2.03 0.00 0.00 175.02 172.68 3a8i n ASP 240 N -0.37 0.00 0.06 -1.18 5.68 -1.26 -0.89 116.55 118.59 3a8i n ASP 240 Ca -0.12 -0.76 0.06 0.00 -0.50 0.00 0.00 54.79 53.47 3a8i n ASP 240 Cb 0.63 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.91 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 0.06 0.00 0.11 1.02 -0.77 -1.23 120.64 119.83 3a8i n GLU 241 Ca 0.00 0.45 0.11 0.00 -0.02 0.00 0.00 57.16 57.71 3a8i n GLU 241 Cb 0.00 -1.67 0.03 0.00 -0.02 0.00 0.00 31.44 29.78 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 -1.80 0.00 -4.88 2.62 -2.24 -1.26 -4.19 114.28 102.53 3a8i n THR 242 Ca 0.01 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 3a8i n THR 242 Cb 0.09 1.26 -0.15 0.00 -2.10 0.00 0.00 70.33 69.44 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 -2.41 2.88 0.43 2.28 -1.09 -0.36 -4.94 121.20 117.99 3a8i s ILE 243 Ca 0.20 -0.74 -0.22 0.00 -2.23 0.00 0.00 60.65 57.66 3a8i s ILE 243 Cb 0.18 -2.18 -0.09 0.00 -1.58 0.00 0.00 42.46 38.80 3a8i s ILE 243 CO 0.53 0.54 1.01 -0.55 -1.23 0.00 0.00 174.94 175.25 3a8i s SER 244 N 0.15 6.68 0.59 3.58 0.15 -1.26 -2.27 113.70 121.31 3a8i s SER 244 Ca -0.08 1.90 0.29 0.00 0.70 0.00 0.00 55.95 58.75 3a8i s SER 244 Cb -0.15 -2.56 1.74 0.00 -1.71 0.00 0.00 66.02 63.34 3a8i s SER 244 CO 0.05 -0.54 2.20 1.55 1.20 0.00 0.00 173.24 177.70 3a8i h PRO 245 N 2.04 0.00 0.00 5.44 0.13 -1.92 -1.60 132.00 136.08 3a8i h PRO 245 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3a8i h PRO 245 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3a8i h PRO 245 CO 0.61 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.31 3a8i h LEU 246 N 0.00 0.00 -0.77 1.56 3.38 -1.91 -0.54 115.31 117.03 3a8i h LEU 246 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3a8i h LEU 246 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3a8i h LEU 246 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3a8i n ALA 247 N -2.04 2.53 -1.84 1.53 0.00 -0.61 -4.28 120.51 115.80 3a8i n ALA 247 Ca 0.04 -0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.13 3a8i n ALA 247 Cb 0.48 -1.11 0.09 0.00 0.00 0.00 0.00 19.45 18.91 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 0.01 2.62 -3.97 0.00 0.00 -0.30 -3.48 120.51 115.39 3a8i n ALA 248 Ca 0.13 -2.37 -0.31 0.00 0.00 0.00 0.00 53.44 50.90 3a8i n ALA 248 Cb 0.23 -0.50 0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.46 -4.02 -0.15 0.00 5.15 -1.20 -4.86 115.26 109.72 3a8i n ASN 249 Ca 0.10 -0.84 0.01 0.00 -0.60 0.00 0.00 54.58 53.25 3a8i n ASN 249 Cb 0.82 -3.61 0.03 0.00 -0.53 0.00 0.00 39.78 36.48 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 -4.58 1.28 -0.33 1.20 2.81 -0.66 -4.65 117.12 112.19 3a8i n MET 250 Ca 0.01 -1.19 0.26 0.00 -1.81 0.00 0.00 57.70 54.97 3a8i n MET 250 Cb 0.54 -1.06 0.50 0.00 -0.71 0.00 0.00 33.22 32.48 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 0.56 2.09 2.00 3.03 0.00 -1.84 0.18 103.07 109.09 3a8i h GLY 251 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3a8i h GLY 251 CO 0.00 -0.59 0.00 0.11 0.00 0.00 0.00 176.54 176.06 3a8i h TRP 252 N 0.21 0.00 -0.01 5.60 5.08 -1.93 -2.19 115.95 122.71 3a8i h TRP 252 Ca 0.76 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.73 3a8i h TRP 252 Cb 1.83 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.99 3a8i h TRP 252 CO -0.03 0.00 -0.23 0.25 -1.28 0.00 0.00 178.44 177.15 3a8i n THR 253 N -3.02 0.00 -2.79 0.12 -2.24 0.63 -4.81 114.28 102.17 3a8i n THR 253 Ca 0.00 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 3a8i n THR 253 Cb 0.26 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.53 4.54 -0.91 2.28 -1.09 -0.82 -3.08 121.20 119.58 3a8i s ILE 254 Ca 0.24 1.14 -0.20 0.00 -2.23 0.00 0.00 60.65 59.60 3a8i s ILE 254 Cb 0.19 -4.37 0.10 0.00 -1.58 0.00 0.00 42.46 36.80 3a8i s ILE 254 CO 0.52 -0.61 1.19 0.00 -1.23 0.00 0.00 174.94 174.81 3a8i s ALA 255 N 3.59 3.16 0.24 9.38 0.00 -0.55 -4.83 121.76 132.74 3a8i s ALA 255 Ca 0.39 -2.49 0.01 0.00 0.00 0.00 0.00 51.96 49.87 3a8i s ALA 255 Cb -0.11 -4.15 0.27 0.00 0.00 0.00 0.00 23.12 19.13 3a8i s ALA 255 CO 0.21 -3.12 1.61 -1.49 0.00 0.00 0.00 175.76 172.96 3a8i h TRP 256 N 9.19 0.52 -2.86 0.00 4.06 -1.93 -3.43 115.95 121.51 3a8i h TRP 256 Ca 0.10 -0.16 -0.64 0.00 2.06 0.00 0.00 58.89 60.26 3a8i h TRP 256 Cb 1.03 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 29.01 3a8i h TRP 256 CO 1.17 0.81 -0.35 -1.21 -3.56 0.00 0.00 178.44 175.29 3a8i s GLU 257 N -4.12 3.72 0.36 0.49 0.41 -1.26 -3.18 118.70 115.12 3a8i s GLU 257 Ca -0.06 0.11 -0.27 0.00 -0.41 0.00 0.00 54.97 54.34 3a8i s GLU 257 Cb 0.12 -3.23 -0.09 0.00 -1.78 0.00 0.00 34.13 29.15 3a8i s GLU 257 CO 0.81 0.69 1.26 -1.25 -0.49 0.00 0.00 175.26 176.28 3a8i s PRO 258 N -0.91 4.22 0.55 0.39 0.04 -1.26 -5.02 135.00 133.01 3a8i s PRO 258 Ca 0.19 2.08 0.35 0.00 0.04 0.00 0.00 61.00 63.66 3a8i s PRO 258 Cb -0.14 -2.92 1.55 0.00 0.04 0.00 0.00 34.50 33.03 3a8i s PRO 258 CO 0.08 -0.25 2.04 0.00 0.04 0.00 0.00 177.00 178.90 3a8i h ALA 259 N 3.09 1.00 -0.14 8.56 0.00 -1.92 -2.43 119.26 127.42 3a8i h ALA 259 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3a8i h ALA 259 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3a8i h ALA 259 CO 0.64 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 3a8i n ASP 260 N -3.01 0.79 -4.47 0.00 5.68 -1.26 -4.67 116.55 109.60 3a8i n ASP 260 Ca -0.00 -1.94 -0.43 0.00 -0.50 0.00 0.00 54.79 51.91 3a8i n ASP 260 Cb 0.25 -0.09 -0.05 0.00 -1.14 0.00 0.00 41.12 40.09 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 -1.81 3.20 0.31 0.11 3.52 -0.92 -5.05 118.95 118.31 3a8i s ARG 261 Ca 0.12 -0.64 -0.27 0.00 -0.13 0.00 0.00 55.73 54.81 3a8i s ARG 261 Cb 0.06 -4.10 -0.10 0.00 -1.56 0.00 0.00 34.95 29.26 3a8i s ARG 261 CO 0.09 -1.40 0.95 0.34 -0.81 0.00 0.00 175.30 174.47 3a8i s ASP 262 N 2.89 7.35 0.06 -2.12 2.15 -1.26 -5.03 116.67 120.70 3a8i s ASP 262 Ca 0.22 1.88 -0.04 0.00 0.43 0.00 0.00 52.55 55.03 3a8i s ASP 262 Cb -0.16 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 39.85 3a8i s ASP 262 CO 0.14 -0.06 0.06 0.72 -0.17 0.00 0.00 175.17 175.87 3a8i s PHE 263 N -1.54 0.34 0.02 -5.34 -0.12 -1.26 -4.37 117.98 105.70 3a8i s PHE 263 Ca 0.49 -0.81 -0.32 0.00 -0.05 0.00 0.00 56.93 56.24 3a8i s PHE 263 Cb -0.20 -0.24 -0.11 0.00 -0.63 0.00 0.00 43.02 41.84 3a8i s PHE 263 CO 0.26 -0.42 1.86 -0.89 -0.05 0.00 0.00 175.22 175.98 3a8i n ILE 264 N 0.20 0.52 0.00 -4.49 5.41 -1.02 -1.31 119.36 118.68 3a8i n ILE 264 Ca -0.15 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.50 3a8i n ILE 264 Cb 0.61 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 3a8i n ILE 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3a8i n GLY 265 N 4.30 1.48 0.28 7.39 0.00 -1.21 -4.44 105.19 112.99 3a8i n GLY 265 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 3.34 0.92 -0.07 1.61 2.43 -1.53 0.16 114.38 121.24 3a8i h ARG 266 Ca 0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3a8i h ARG 266 Cb 0.00 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3a8i h ARG 266 CO 0.00 0.61 0.03 1.49 -1.51 0.00 0.00 179.97 180.60 3a8i h GLU 267 N 0.95 0.10 -0.58 0.20 4.81 -1.91 0.80 114.58 118.95 3a8i h GLU 267 Ca 0.26 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3a8i h GLU 267 Cb -0.10 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3a8i h GLU 267 CO -0.05 0.20 0.34 0.00 -0.73 0.00 0.00 179.01 178.76 3a8i h ALA 268 N 0.90 1.50 -0.44 2.92 0.00 -1.74 -2.06 119.26 120.34 3a8i h ALA 268 Ca 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3a8i h ALA 268 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3a8i h ALA 268 CO -0.00 0.43 0.15 1.25 0.00 0.00 0.00 179.25 181.08 3a8i h LEU 269 N 0.80 0.63 -0.92 0.00 5.85 -0.58 -0.41 115.31 120.68 3a8i h LEU 269 Ca 0.21 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3a8i h LEU 269 Cb -0.01 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3a8i h LEU 269 CO -0.04 0.65 0.59 -0.08 -0.34 0.00 0.00 178.44 179.22 3a8i h GLU 270 N 0.57 1.22 -0.56 1.25 4.57 -0.27 0.53 114.58 121.89 3a8i h GLU 270 Ca 0.14 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.13 3a8i h GLU 270 Cb 0.23 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3a8i h GLU 270 CO -0.01 0.83 -0.09 0.28 -1.18 0.00 0.00 179.01 178.84 3a8i h VAL 271 N 1.25 1.27 -0.49 0.32 2.07 -1.17 -2.44 116.25 117.06 3a8i h VAL 271 Ca 0.33 -1.25 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 3a8i h VAL 271 Cb -0.11 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3a8i h VAL 271 CO -0.07 0.44 -0.11 1.56 0.02 0.00 0.00 177.57 179.42 3a8i h GLN 272 N 0.93 0.93 -0.93 1.57 4.20 -0.03 0.47 115.11 122.26 3a8i h GLN 272 Ca 0.15 -0.35 0.10 0.00 0.06 0.00 0.00 58.65 58.60 3a8i h GLN 272 Cb 0.66 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.31 3a8i h GLN 272 CO 0.05 1.01 0.60 -0.09 -0.67 0.00 0.00 178.83 179.72 3a8i h ARG 273 N 0.79 0.92 0.02 1.46 2.43 0.15 0.12 114.38 120.27 3a8i h ARG 273 Ca 0.12 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 59.02 3a8i h ARG 273 Cb 0.66 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3a8i h ARG 273 CO 0.05 0.61 -0.97 0.93 -1.51 0.00 0.00 179.97 179.08 3a8i h GLU 274 N 0.95 0.30 0.00 0.20 5.08 -0.91 -3.17 114.58 117.02 3a8i h GLU 274 Ca 0.43 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3a8i h GLU 274 Cb 0.39 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3a8i h GLU 274 CO -0.19 1.06 -0.21 0.72 -1.00 0.00 0.00 179.01 179.39 3a8i n HIS 275 N -3.67 0.32 0.00 4.33 8.25 0.10 -5.06 115.22 119.50 3a8i n HIS 275 Ca -0.06 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3a8i n HIS 275 Cb 0.86 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 1.43 -2.15 3.17 -1.41 0.00 0.41 -5.06 105.19 101.57 3a8i n GLY 276 Ca 0.06 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.05 0.14 1.09 2.61 -4.23 -1.26 -4.84 115.64 106.11 3a8i s THR 277 Ca 0.00 -1.68 -0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3a8i s THR 277 Cb 0.00 -1.72 0.18 0.00 1.34 0.00 0.00 72.50 72.30 3a8i s THR 277 CO 0.00 -0.65 0.29 -0.62 -0.54 0.00 0.00 174.62 173.10 3a8i n GLU 278 N -0.04 -2.40 -3.83 3.99 1.02 -1.26 -4.51 120.64 113.61 3a8i n GLU 278 Ca -0.10 -0.70 -0.10 0.00 -0.02 0.00 0.00 57.16 56.24 3a8i n GLU 278 Cb 0.62 -1.58 -0.07 0.00 -0.02 0.00 0.00 31.44 30.39 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 -3.64 0.80 -0.21 3.49 -2.85 -0.21 -4.18 119.74 112.94 3a8i s LYS 279 Ca 0.45 -0.77 -0.16 0.00 -1.00 0.00 0.00 55.97 54.49 3a8i s LYS 279 Cb -0.08 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 3a8i s LYS 279 CO 0.45 -0.25 0.39 -1.17 0.10 0.00 0.00 175.35 174.87 3a8i s LEU 280 N -2.48 4.14 0.31 2.77 2.96 -1.23 -1.22 118.68 123.94 3a8i s LEU 280 Ca 0.00 0.49 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 3a8i s LEU 280 Cb 0.02 -2.50 -0.06 0.00 0.50 0.00 0.00 46.19 44.15 3a8i s LEU 280 CO -0.08 -0.08 -0.05 0.68 -1.32 0.00 0.00 176.35 175.50 3a8i s VAL 281 N 1.37 1.79 0.08 1.68 -7.23 0.78 -4.55 120.40 114.33 3a8i s VAL 281 Ca 0.18 -2.13 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 3a8i s VAL 281 Cb -0.15 -2.57 -0.06 0.00 0.56 0.00 0.00 36.38 34.16 3a8i s VAL 281 CO 0.08 -0.22 0.45 -0.83 -0.31 0.00 0.00 175.10 174.27 3a8i s GLY 282 N -3.51 2.42 -0.05 2.32 0.00 -0.25 -0.55 107.32 107.71 3a8i s GLY 282 Ca 0.31 -0.25 0.06 0.00 0.00 0.00 0.00 44.72 44.84 3a8i s GLY 282 CO 0.14 0.02 -0.24 1.08 0.00 0.00 0.00 173.10 174.10 3a8i s LEU 283 N -1.70 2.13 -0.10 0.66 1.43 0.27 0.11 118.68 121.48 3a8i s LEU 283 Ca 0.32 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3a8i s LEU 283 Cb -0.15 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.70 3a8i s LEU 283 CO 0.17 0.27 -0.14 -0.69 0.23 0.00 0.00 176.35 176.20 3a8i s VAL 284 N -0.34 1.37 -0.43 -1.59 1.01 0.41 -1.15 120.40 119.67 3a8i s VAL 284 Ca 0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3a8i s VAL 284 Cb -0.12 -1.27 0.11 0.00 0.00 0.00 0.00 36.38 35.11 3a8i s VAL 284 CO 0.02 0.42 0.22 -0.32 0.00 0.00 0.00 175.10 175.44 3a8i s MET 285 N 1.05 2.03 0.38 2.72 1.75 -0.31 -0.05 119.30 126.87 3a8i s MET 285 Ca -0.06 -1.90 0.21 0.00 -1.25 0.00 0.00 55.69 52.69 3a8i s MET 285 Cb -0.15 -3.58 0.45 0.00 2.84 0.00 0.00 34.83 34.39 3a8i s MET 285 CO -0.02 -1.08 1.62 1.79 -0.65 0.00 0.00 175.02 176.69 3a8i h THR 286 N 6.26 0.52 -4.34 10.11 1.35 -1.85 -3.21 112.91 121.76 3a8i h THR 286 Ca -0.12 -1.51 -0.51 0.00 -0.55 0.00 0.00 66.41 63.73 3a8i h THR 286 Cb 1.04 2.08 0.09 0.00 -1.73 0.00 0.00 68.15 69.63 3a8i h THR 286 CO 0.69 0.27 0.37 -1.83 -0.25 0.00 0.00 175.52 174.77 3a8i s GLU 287 N -3.26 2.87 0.29 4.72 1.03 -1.26 -4.95 118.70 118.13 3a8i s GLU 287 Ca 0.04 0.85 -0.30 0.00 0.03 0.00 0.00 54.97 55.58 3a8i s GLU 287 Cb 0.08 -1.99 -0.12 0.00 -0.80 0.00 0.00 34.13 31.30 3a8i s GLU 287 CO 0.68 -1.12 1.54 1.17 -1.33 0.00 0.00 175.26 176.20 3a8i n LYS 288 N -3.13 2.53 0.00 -4.83 4.81 -1.26 -4.82 118.16 111.45 3a8i n LYS 288 Ca 0.07 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 3a8i n LYS 288 Cb 0.54 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.95 3a8i n LYS 288 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a8i n GLY 289 N 2.02 1.00 2.91 3.14 0.00 -1.26 -5.10 105.19 107.91 3a8i n GLY 289 Ca 0.09 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.00 -0.07 0.35 1.61 1.01 -1.26 -4.39 120.40 116.65 3a8i s VAL 290 Ca 0.00 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 3a8i s VAL 290 Cb 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 36.05 3a8i s VAL 290 CO 0.00 0.08 1.06 -0.76 0.00 0.00 0.00 175.10 175.48 3a8i s LEU 291 N 1.27 4.31 0.16 3.92 1.43 -1.26 -5.01 118.68 123.50 3a8i s LEU 291 Ca -0.08 2.12 0.07 0.00 -1.03 0.00 0.00 54.13 55.21 3a8i s LEU 291 Cb -0.12 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 3a8i s LEU 291 CO -0.06 -0.34 -0.16 -0.13 0.23 0.00 0.00 176.35 175.89 3a8i s ARG 292 N -2.07 1.19 0.29 1.70 1.81 -1.26 -3.17 118.95 117.44 3a8i s ARG 292 Ca 0.52 -1.38 -0.28 0.00 -1.72 0.00 0.00 55.73 52.87 3a8i s ARG 292 Cb -0.26 -1.12 -0.14 0.00 -0.45 0.00 0.00 34.95 32.98 3a8i s ARG 292 CO 0.33 0.21 1.03 0.09 -0.68 0.00 0.00 175.30 176.28 3a8i n ASN 293 N 0.24 1.39 -0.10 0.23 3.02 -1.26 -3.44 115.26 115.34 3a8i n ASN 293 Ca -0.13 1.18 -0.01 0.00 -0.03 0.00 0.00 54.58 55.59 3a8i n ASN 293 Cb 0.58 -1.30 -0.01 0.00 -0.61 0.00 0.00 39.78 38.44 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 0.72 -0.48 -2.60 3.52 1.02 0.03 -4.96 120.64 117.90 3a8i n GLU 294 Ca 0.09 0.27 -0.38 0.00 -0.02 0.00 0.00 57.16 57.12 3a8i n GLU 294 Cb 0.32 -3.74 -0.05 0.00 -0.02 0.00 0.00 31.44 27.95 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 -0.30 4.31 0.37 -4.62 1.02 -1.22 -4.71 118.68 113.53 3a8i s LEU 295 Ca 0.00 2.04 -0.26 0.00 0.02 0.00 0.00 54.13 55.93 3a8i s LEU 295 Cb 0.00 -3.98 -0.09 0.00 0.02 0.00 0.00 46.19 42.14 3a8i s LEU 295 CO 0.00 -0.27 1.17 -2.16 0.02 0.00 0.00 176.35 175.10 3a8i s PRO 296 N -2.08 4.20 -0.17 1.29 0.04 -1.26 -0.65 135.00 136.37 3a8i s PRO 296 Ca 0.52 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.43 3a8i s PRO 296 Cb -0.24 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.52 3a8i s PRO 296 CO 0.30 -0.20 -0.20 0.08 0.04 0.00 0.00 177.00 177.02 3a8i s VAL 297 N -1.35 2.10 0.03 -0.36 1.01 0.06 -3.34 120.40 118.55 3a8i s VAL 297 Ca 0.54 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3a8i s VAL 297 Cb -0.31 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3a8i s VAL 297 CO 0.40 0.54 -0.25 -0.13 0.00 0.00 0.00 175.10 175.66 3a8i s ARG 298 N 1.21 1.91 0.09 2.72 0.52 0.81 0.30 118.95 126.50 3a8i s ARG 298 Ca 0.03 -1.05 -0.12 0.00 -0.52 0.00 0.00 55.73 54.06 3a8i s ARG 298 Cb -0.13 -2.03 0.01 0.00 0.52 0.00 0.00 34.95 33.32 3a8i s ARG 298 CO -0.11 0.53 0.28 -0.59 0.02 0.00 0.00 175.30 175.43 3a8i s PHE 299 N -0.80 -0.01 -0.19 -0.53 -0.71 -0.67 -0.11 117.98 114.96 3a8i s PHE 299 Ca 0.12 -0.31 0.01 0.00 -1.04 0.00 0.00 56.93 55.71 3a8i s PHE 299 Cb -0.10 0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.80 3a8i s PHE 299 CO 0.02 -0.58 -0.19 0.99 -1.34 0.00 0.00 175.22 174.13 3a8i s THR 300 N -3.51 2.04 1.15 -4.49 2.01 -1.26 -0.80 115.64 110.78 3a8i s THR 300 Ca 0.02 -0.99 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 3a8i s THR 300 Cb 0.03 -1.88 0.26 0.00 0.01 0.00 0.00 72.50 70.92 3a8i s THR 300 CO -0.09 0.47 1.11 1.51 -0.69 0.00 0.00 174.62 176.93 3a8i s ASP 301 N 1.28 1.33 0.51 3.53 1.47 -0.64 -4.81 116.67 119.34 3a8i s ASP 301 Ca 0.04 0.74 0.30 0.00 1.18 0.00 0.00 52.55 54.81 3a8i s ASP 301 Cb -0.14 -1.08 1.42 0.00 -0.34 0.00 0.00 42.92 42.79 3a8i s ASP 301 CO -0.12 -3.88 1.86 0.00 0.68 0.00 0.00 175.17 173.71 3a8i h ALA 302 N -2.42 2.77 -0.00 2.11 0.00 -1.95 -1.64 119.26 118.13 3a8i h ALA 302 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3a8i h ALA 302 Cb 1.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3a8i h ALA 302 CO 0.40 -1.06 -0.15 1.04 0.00 0.00 0.00 179.25 179.47 3a8i n GLN 303 N -4.31 0.27 -0.13 0.00 3.00 -1.26 -4.88 117.38 110.07 3a8i n GLN 303 Ca 0.20 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3a8i n GLN 303 Cb 0.97 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.71 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 1.41 0.85 3.68 1.08 0.00 -0.62 -5.07 105.19 106.53 3a8i n GLY 304 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.22 6.60 0.25 1.61 0.01 -1.26 -4.86 114.94 115.07 3a8i s ASN 305 Ca 0.00 0.72 -0.25 0.00 -0.71 0.00 0.00 52.86 52.62 3a8i s ASN 305 Cb 0.00 -2.29 -0.09 0.00 0.41 0.00 0.00 41.25 39.28 3a8i s ASN 305 CO 0.00 -0.11 0.84 -1.58 -1.51 0.00 0.00 177.10 174.74 3a8i s GLN 306 N 1.24 4.53 0.09 -0.60 0.74 -1.26 -1.63 119.66 122.78 3a8i s GLN 306 Ca 0.25 1.18 0.04 0.00 0.05 0.00 0.00 55.36 56.88 3a8i s GLN 306 Cb -0.15 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 30.93 3a8i s GLN 306 CO 0.10 0.41 -0.11 -1.01 -0.55 0.00 0.00 175.29 174.14 3a8i s HIS 307 N -1.42 1.08 -0.03 1.67 3.76 0.01 -4.99 115.29 115.37 3a8i s HIS 307 Ca 0.43 -0.62 -0.00 0.00 -0.15 0.00 0.00 55.06 54.72 3a8i s HIS 307 Cb -0.20 -0.59 0.03 0.00 1.11 0.00 0.00 32.58 32.93 3a8i s HIS 307 CO 0.25 0.01 0.02 -2.00 -0.85 0.00 0.00 174.74 172.17 3a8i s GLU 308 N -2.62 0.16 0.00 1.40 2.12 -1.26 -1.67 118.70 116.83 3a8i s GLU 308 Ca 0.04 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.55 3a8i s GLU 308 Cb -0.04 -0.48 0.00 0.00 0.26 0.00 0.00 34.13 33.87 3a8i s GLU 308 CO 0.00 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 3a8i n GLY 309 N 4.52 4.00 3.00 -1.50 0.00 0.15 -4.58 105.19 110.78 3a8i n GLY 309 Ca -0.20 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 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 0.53 0.38 0.06 -0.61 2.07 -0.32 -0.76 121.20 122.55 3a8i s ILE 310 Ca 0.00 -0.72 -0.31 0.00 -1.41 0.00 0.00 60.65 58.22 3a8i s ILE 310 Cb 0.00 -0.42 -0.06 0.00 0.13 0.00 0.00 42.46 42.11 3a8i s ILE 310 CO 0.00 -0.23 1.23 -0.63 -1.91 0.00 0.00 174.94 173.39 3a8i s ILE 311 N -0.92 3.94 -0.11 2.00 1.01 0.18 -0.71 121.20 126.59 3a8i s ILE 311 Ca -0.07 1.39 0.02 0.00 0.00 0.00 0.00 60.65 61.99 3a8i s ILE 311 Cb -0.07 -3.89 -0.24 0.00 0.01 0.00 0.00 42.46 38.27 3a8i s ILE 311 CO -0.00 0.10 0.41 0.35 0.00 0.00 0.00 174.94 175.80 3a8i n THR 312 N 3.97 1.68 -3.73 2.92 -2.24 0.85 -0.78 114.28 116.95 3a8i n THR 312 Ca 0.09 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 61.03 3a8i n THR 312 Cb 0.46 -1.39 -0.13 0.00 -2.10 0.00 0.00 70.33 67.16 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 -6.58 -0.19 0.07 3.42 0.01 -1.01 -4.65 113.70 104.77 3a8i s SER 313 Ca -0.16 0.46 0.06 0.00 1.31 0.00 0.00 55.95 57.62 3a8i s SER 313 Cb 0.07 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 3a8i s SER 313 CO 0.78 -0.16 -0.16 -0.83 0.41 0.00 0.00 173.24 173.27 3a8i s GLY 314 N 1.28 0.96 0.38 3.44 0.00 -1.26 -0.67 107.32 111.45 3a8i s GLY 314 Ca -0.09 -1.01 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 3a8i s GLY 314 CO -0.08 -1.01 0.73 -1.08 0.00 0.00 0.00 173.10 171.66 3a8i s THR 315 N -1.07 0.00 -0.15 0.90 -1.32 0.03 -4.60 115.64 109.44 3a8i s THR 315 Ca 0.02 -1.12 -0.12 0.00 -1.21 0.00 0.00 61.69 59.26 3a8i s THR 315 Cb -0.09 -2.83 -0.05 0.00 -1.51 0.00 0.00 72.50 68.02 3a8i s THR 315 CO 0.02 0.00 0.24 0.12 -2.21 0.00 0.00 174.62 172.80 3a8i s PHE 316 N -2.46 3.50 -0.40 9.09 5.36 -1.26 -0.97 117.98 130.83 3a8i s PHE 316 Ca 0.18 0.57 -0.17 0.00 -0.96 0.00 0.00 56.93 56.55 3a8i s PHE 316 Cb -0.04 -2.23 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 3a8i s PHE 316 CO 0.13 0.37 0.43 0.45 -1.46 0.00 0.00 175.22 175.15 3a8i s SER 317 N 0.04 6.20 0.45 6.13 0.15 0.37 -4.88 113.70 122.15 3a8i s SER 317 Ca 0.15 -0.56 0.22 0.00 0.70 0.00 0.00 55.95 56.46 3a8i s SER 317 Cb -0.13 -2.22 1.08 0.00 -1.71 0.00 0.00 66.02 63.04 3a8i s SER 317 CO 0.04 -0.54 1.92 -0.65 1.20 0.00 0.00 173.24 175.21 3a8i h PRO 318 N 8.67 0.00 0.02 5.44 0.11 -1.93 0.55 132.00 144.87 3a8i h PRO 318 Ca -0.27 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.60 3a8i h PRO 318 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3a8i h PRO 318 CO 0.78 0.23 -1.00 1.15 -0.21 0.00 0.00 178.00 178.95 3a8i h THR 319 N 0.00 1.40 0.02 -1.15 2.02 -1.94 -3.33 112.91 109.93 3a8i h THR 319 Ca -0.00 -2.52 -0.26 0.00 0.77 0.00 0.00 66.41 64.39 3a8i h THR 319 Cb 0.56 2.50 -0.04 0.00 -1.74 0.00 0.00 68.15 69.43 3a8i h THR 319 CO 0.03 0.75 -1.42 -0.07 0.37 0.00 0.00 175.52 175.18 3a8i h LEU 320 N 0.22 0.05 0.00 2.58 4.07 -1.91 -3.47 115.31 116.85 3a8i h LEU 320 Ca -0.09 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3a8i h LEU 320 Cb 1.65 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.37 3a8i h LEU 320 CO 0.17 1.07 0.00 0.61 -1.08 0.00 0.00 178.44 179.21 3a8i n GLY 321 N 1.50 0.47 3.24 0.83 0.00 0.19 -5.04 105.19 106.39 3a8i n GLY 321 Ca -0.11 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 3a8i n GLY 321 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a8i s TYR 322 N -2.00 -0.03 0.19 1.61 2.02 -1.14 -4.98 117.35 113.03 3a8i s TYR 322 Ca 0.00 -0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.20 3a8i s TYR 322 Cb 0.00 0.06 -0.08 0.00 -0.40 0.00 0.00 41.96 41.54 3a8i s TYR 322 CO 0.00 -0.53 1.02 0.45 -1.57 0.00 0.00 175.55 174.93 3a8i s SER 323 N -2.34 7.43 0.24 2.29 0.15 -1.21 -0.48 113.70 119.77 3a8i s SER 323 Ca -0.02 2.01 0.08 0.00 0.70 0.00 0.00 55.95 58.71 3a8i s SER 323 Cb 0.01 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 3a8i s SER 323 CO -0.06 -0.07 -0.11 0.27 1.20 0.00 0.00 173.24 174.47 3a8i s ILE 324 N -0.58 1.74 -0.05 6.45 -4.36 -0.14 -1.16 121.20 123.09 3a8i s ILE 324 Ca 0.46 -2.19 -0.22 0.00 -0.26 0.00 0.00 60.65 58.44 3a8i s ILE 324 Cb -0.27 -2.23 0.05 0.00 1.25 0.00 0.00 42.46 41.26 3a8i s ILE 324 CO 0.34 -0.46 0.49 0.00 0.24 0.00 0.00 174.94 175.54 3a8i s ALA 325 N -2.96 -1.25 0.00 2.27 0.00 -0.30 -0.79 121.76 118.73 3a8i s ALA 325 Ca 0.26 0.88 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 3a8i s ALA 325 Cb 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 3a8i s ALA 325 CO 0.09 -0.30 0.39 -0.51 0.00 0.00 0.00 175.76 175.43 3a8i s LEU 326 N -1.05 4.45 -0.04 0.00 1.43 0.16 0.97 118.68 124.60 3a8i s LEU 326 Ca -0.11 0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 53.82 3a8i s LEU 326 Cb -0.03 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.60 3a8i s LEU 326 CO 0.06 0.31 0.19 0.00 0.23 0.00 0.00 176.35 177.14 3a8i s ALA 327 N -1.12 -0.47 -0.27 4.21 0.00 0.29 -0.10 121.76 124.29 3a8i s ALA 327 Ca 0.24 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.38 3a8i s ALA 327 Cb -0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3a8i s ALA 327 CO 0.13 -0.15 0.26 0.50 0.00 0.00 0.00 175.76 176.50 3a8i s ARG 328 N -0.57 3.98 0.03 0.00 3.52 0.12 -0.15 118.95 125.89 3a8i s ARG 328 Ca -0.07 -0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.38 3a8i s ARG 328 Cb -0.04 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.68 3a8i s ARG 328 CO 0.01 -0.20 -0.06 0.14 -0.81 0.00 0.00 175.30 174.37 3a8i s VAL 329 N 1.84 0.41 0.72 7.11 -7.23 -0.36 -1.17 120.40 121.72 3a8i s VAL 329 Ca 0.10 -1.00 -0.16 0.00 -1.81 0.00 0.00 61.98 59.11 3a8i s VAL 329 Cb -0.16 -0.50 0.03 0.00 0.56 0.00 0.00 36.38 36.31 3a8i s VAL 329 CO 0.10 -0.40 1.16 -2.65 -0.31 0.00 0.00 175.10 173.00 3a8i n PRO 330 N 1.55 0.62 -1.72 4.82 -0.02 -1.26 -1.04 135.00 137.93 3a8i n PRO 330 Ca -0.23 0.27 -0.38 0.00 -2.02 0.00 0.00 63.50 61.14 3a8i n PRO 330 Cb 0.55 -2.40 0.05 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.34 1.49 -0.20 -0.52 -0.58 -1.26 -3.49 120.64 113.74 3a8i n GLU 331 Ca 0.14 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 3a8i n GLU 331 Cb 0.49 -2.51 0.00 0.00 -0.57 0.00 0.00 31.44 28.85 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 0.86 0.70 3.70 0.62 0.00 -1.26 -5.04 105.19 104.76 3a8i n GLY 332 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3a8i n GLY 332 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3a8i n ILE 333 N -2.06 3.20 -0.55 -0.61 3.06 -1.23 -4.97 119.36 116.19 3a8i n ILE 333 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 3a8i n ILE 333 Cb 0.00 -1.52 0.00 0.00 0.54 0.00 0.00 39.64 38.66 3a8i n ILE 333 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3a8i n GLY 334 N 0.88 1.66 0.16 4.50 0.00 -1.26 -5.02 105.19 106.12 3a8i n GLY 334 Ca 0.09 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.48 3a8i n GLY 334 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a8i h GLU 335 N 0.00 0.00 -4.47 1.61 5.08 -1.96 -3.44 114.58 111.41 3a8i h GLU 335 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3a8i h GLU 335 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 3a8i h GLU 335 CO 0.00 0.00 -0.66 0.95 -1.00 0.00 0.00 179.01 178.30 3a8i s THR 336 N -3.16 0.28 0.35 1.13 -4.23 -1.26 -0.64 115.64 108.11 3a8i s THR 336 Ca 0.09 -1.90 -0.10 0.00 -1.18 0.00 0.00 61.69 58.60 3a8i s THR 336 Cb 0.09 -1.91 0.04 0.00 1.34 0.00 0.00 72.50 72.06 3a8i s THR 336 CO 0.63 -0.62 0.63 0.00 -0.54 0.00 0.00 174.62 174.72 3a8i n ALA 337 N -0.07 -1.19 -2.93 3.99 0.00 -0.83 -4.85 120.51 114.63 3a8i n ALA 337 Ca -0.08 -1.27 -0.23 0.00 0.00 0.00 0.00 53.44 51.87 3a8i n ALA 337 Cb 0.63 1.01 -0.16 0.00 0.00 0.00 0.00 19.45 20.93 3a8i n ALA 337 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3a8i s ILE 338 N -2.38 1.06 -0.09 0.00 -1.09 0.85 -1.34 121.20 118.21 3a8i s ILE 338 Ca 0.18 -0.52 0.05 0.00 -2.23 0.00 0.00 60.65 58.13 3a8i s ILE 338 Cb -0.03 -0.92 -0.00 0.00 -1.58 0.00 0.00 42.46 39.92 3a8i s ILE 338 CO 0.14 0.32 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.23 3a8i s VAL 339 N 0.08 2.05 -0.45 2.92 1.01 -0.20 -0.14 120.40 125.67 3a8i s VAL 339 Ca -0.02 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 3a8i s VAL 339 Cb -0.09 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.54 3a8i s VAL 339 CO 0.01 0.56 1.40 -1.58 0.00 0.00 0.00 175.10 175.49 3a8i s GLN 340 N 0.21 3.52 -0.11 2.72 0.74 -1.21 -0.83 119.66 124.69 3a8i s GLN 340 Ca -0.15 0.81 0.01 0.00 0.05 0.00 0.00 55.36 56.09 3a8i s GLN 340 Cb -0.17 -4.04 -0.01 0.00 1.10 0.00 0.00 33.01 29.89 3a8i s GLN 340 CO 0.07 -1.65 -0.16 0.42 -0.55 0.00 0.00 175.29 173.43 3a8i s ILE 341 N 5.55 2.82 0.00 -2.34 1.01 -0.42 -4.69 121.20 123.12 3a8i s ILE 341 Ca 0.59 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3a8i s ILE 341 Cb -0.13 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3a8i s ILE 341 CO 0.31 0.54 0.00 0.54 0.00 0.00 0.00 174.94 176.33 3a8i n ARG 342 N 3.39 0.00 -2.70 2.79 5.12 -1.26 -0.37 116.66 123.62 3a8i n ARG 342 Ca -0.18 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.70 3a8i n ARG 342 Cb 0.53 0.00 0.10 0.00 -1.16 0.00 0.00 32.46 31.93 3a8i n ARG 342 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3a8i n ASN 343 N 3.96 -0.80 -3.92 0.55 3.02 -1.26 -5.11 115.26 111.70 3a8i n ASN 343 Ca 0.00 -2.31 -0.10 0.00 -0.03 0.00 0.00 54.58 52.13 3a8i n ASN 343 Cb 0.00 0.47 -0.11 0.00 -0.61 0.00 0.00 39.78 39.53 3a8i n ASN 343 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a8i s ARG 344 N -0.83 0.31 -0.47 3.52 1.70 0.50 -5.14 118.95 118.55 3a8i s ARG 344 Ca 0.18 -0.40 -0.16 0.00 -0.47 0.00 0.00 55.73 54.87 3a8i s ARG 344 Cb 0.42 0.12 0.06 0.00 -0.57 0.00 0.00 34.95 34.98 3a8i s ARG 344 CO -0.09 -0.06 0.44 -1.21 -1.08 0.00 0.00 175.30 173.30 3a8i s GLU 345 N -1.12 3.02 -0.23 3.89 0.41 -1.26 -1.30 118.70 122.11 3a8i s GLU 345 Ca -0.12 -1.14 -0.17 0.00 -0.41 0.00 0.00 54.97 53.12 3a8i s GLU 345 Cb -0.07 -4.09 -0.03 0.00 -1.78 0.00 0.00 34.13 28.16 3a8i s GLU 345 CO 0.00 -1.02 0.48 -1.64 -0.49 0.00 0.00 175.26 172.59 3a8i s MET 346 N 1.92 4.12 0.41 1.61 -1.94 -0.01 -4.87 119.30 120.54 3a8i s MET 346 Ca 0.07 0.30 -0.27 0.00 -1.71 0.00 0.00 55.69 54.09 3a8i s MET 346 Cb -0.22 -3.61 -0.09 0.00 2.01 0.00 0.00 34.83 32.92 3a8i s MET 346 CO 0.09 -0.23 1.42 -1.25 -0.01 0.00 0.00 175.02 175.04 3a8i s PRO 347 N 1.91 3.94 0.09 2.03 0.04 -1.26 -1.03 135.00 140.72 3a8i s PRO 347 Ca 0.21 2.42 0.03 0.00 0.04 0.00 0.00 61.00 63.70 3a8i s PRO 347 Cb -0.15 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 3a8i s PRO 347 CO 0.09 -0.61 -0.09 0.14 0.04 0.00 0.00 177.00 176.56 3a8i s VAL 348 N -1.18 0.88 0.07 -0.36 -7.23 -0.45 -4.73 120.40 107.41 3a8i s VAL 348 Ca 0.56 -1.66 -0.18 0.00 -1.81 0.00 0.00 61.98 58.90 3a8i s VAL 348 Cb -0.44 -1.37 -0.07 0.00 0.56 0.00 0.00 36.38 35.07 3a8i s VAL 348 CO 0.57 -0.60 0.55 -0.54 -0.31 0.00 0.00 175.10 174.77 3a8i s LYS 349 N -2.89 4.14 -0.18 4.82 1.02 0.92 -1.96 119.74 125.61 3a8i s LYS 349 Ca 0.06 0.67 -0.08 0.00 0.02 0.00 0.00 55.97 56.63 3a8i s LYS 349 Cb -0.02 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 3a8i s LYS 349 CO -0.01 0.63 0.11 0.08 -0.92 0.00 0.00 175.35 175.23 3a8i s VAL 350 N -1.15 5.19 0.27 3.17 1.01 0.19 -0.45 120.40 128.64 3a8i s VAL 350 Ca 0.29 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.41 3a8i s VAL 350 Cb -0.19 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3a8i s VAL 350 CO 0.18 0.48 0.19 0.42 0.00 0.00 0.00 175.10 176.37 3a8i s THR 351 N 0.12 0.10 0.82 3.92 -4.23 0.12 -4.79 115.64 111.69 3a8i s THR 351 Ca 0.08 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.45 3a8i s THR 351 Cb -0.12 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.25 3a8i s THR 351 CO -0.00 0.00 0.79 0.29 -0.54 0.00 0.00 174.62 175.15 3a8i n LYS 352 N -0.48 0.10 -1.19 3.99 5.02 -1.26 -1.09 118.16 123.25 3a8i n LYS 352 Ca 0.04 0.09 -0.28 0.00 -2.02 0.00 0.00 58.31 56.14 3a8i n LYS 352 Cb 0.64 -2.10 -0.09 0.00 -0.02 0.00 0.00 35.03 33.47 3a8i n LYS 352 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3a8i n PRO 353 N -2.07 3.02 -3.63 1.97 -0.04 -1.26 -3.47 135.00 129.51 3a8i n PRO 353 Ca 0.11 -1.73 -0.11 0.00 -0.04 0.00 0.00 63.50 61.73 3a8i n PRO 353 Cb 0.51 -2.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.43 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 1.63 0.00 0.00 0.52 0.11 -1.26 -4.36 120.40 117.04 3a8i s VAL 354 Ca 0.69 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 3a8i s VAL 354 Cb 0.24 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 3a8i s VAL 354 CO -0.04 0.00 0.00 0.49 -3.33 0.00 0.00 175.10 172.22 3a8i n PHE 355 N 2.27 0.00 -3.88 1.54 3.01 0.33 -4.87 117.46 115.85 3a8i n PHE 355 Ca -0.13 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.16 3a8i n PHE 355 Cb 0.56 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.86 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 -1.86 0.14 -0.00 -4.37 1.01 -0.59 -0.74 120.40 113.98 3a8i s VAL 356 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3a8i s VAL 356 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 3a8i s VAL 356 CO 0.00 0.15 -0.02 -0.13 0.00 0.00 0.00 175.10 175.10 3a8i s ARG 357 N 1.15 0.15 -1.40 2.72 0.52 -0.31 -4.35 118.95 117.43 3a8i s ARG 357 Ca -0.08 -0.06 -0.18 0.00 -0.52 0.00 0.00 55.73 54.89 3a8i s ARG 357 Cb -0.13 -0.16 0.18 0.00 0.52 0.00 0.00 34.95 35.36 3a8i s ARG 357 CO -0.02 0.03 0.45 0.09 0.02 0.00 0.00 175.30 175.87 3a8i n ASN 358 N 3.08 -1.48 0.00 0.23 5.03 -1.26 -1.90 115.26 118.96 3a8i n ASN 358 Ca -0.13 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.45 3a8i n ASN 358 Cb 0.59 -1.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.04 3a8i n ASN 358 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a8i n GLY 359 N -0.91 0.90 3.37 7.41 0.00 -1.26 -5.07 105.19 109.63 3a8i n GLY 359 Ca 0.09 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.39 0.07 1.61 3.01 -0.80 -5.09 119.74 119.93 3a8i s LYS 360 Ca 0.00 -1.63 -0.36 0.00 -1.01 0.00 0.00 55.97 52.96 3a8i s LYS 360 Cb 0.00 -1.19 -0.16 0.00 -1.01 0.00 0.00 37.83 35.47 3a8i s LYS 360 CO 0.00 0.18 1.43 0.00 0.51 0.00 0.00 175.35 177.47 3a8i n ALA 361 N -0.43 -0.42 -3.25 5.17 0.00 -1.26 -1.16 120.51 119.16 3a8i n ALA 361 Ca -0.07 0.49 -0.46 0.00 0.00 0.00 0.00 53.44 53.39 3a8i n ALA 361 Cb 0.61 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 3a8i n ALA 361 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a8i s VAL 362 N 0.90 5.50 -2.03 0.00 -7.23 0.08 -4.82 120.40 112.80 3a8i s VAL 362 Ca 0.85 -2.47 0.32 0.00 -1.81 0.00 0.00 61.98 58.87 3a8i s VAL 362 Cb -0.90 -4.56 0.89 0.00 0.56 0.00 0.00 36.38 32.36 3a8i s VAL 362 CO 0.47 -1.16 2.20 0.00 -0.31 0.00 0.00 175.10 176.30