#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dex s THR 5 N 0.00 0.29 -0.30 2.61 2.01 0.08 -4.99 115.64 115.35 2dex s THR 5 Ca 0.00 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.82 2dex s THR 5 Cb 0.00 -0.26 0.07 0.00 0.01 0.00 0.00 72.50 72.32 2dex s THR 5 CO 0.00 0.06 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.75 2dex s LEU 6 N -0.14 3.99 -0.11 4.42 2.96 -1.26 0.12 118.68 128.66 2dex s LEU 6 Ca 0.01 -1.56 -0.19 0.00 -0.22 0.00 0.00 54.13 52.16 2dex s LEU 6 Cb -0.02 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2dex s LEU 6 CO -0.00 -0.28 0.53 -0.63 -1.32 0.00 0.00 176.35 174.65 2dex s ILE 7 N 1.11 5.15 -0.35 6.68 1.01 0.41 -4.86 121.20 130.36 2dex s ILE 7 Ca -0.03 1.08 -0.16 0.00 0.00 0.00 0.00 60.65 61.54 2dex s ILE 7 Cb -0.20 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 2dex s ILE 7 CO -0.04 0.31 0.42 -0.60 0.00 0.00 0.00 174.94 175.03 2dex s ARG 8 N 0.68 3.54 0.07 2.79 6.06 -1.26 -0.38 118.95 130.44 2dex s ARG 8 Ca 0.29 -0.36 -0.04 0.00 -2.50 0.00 0.00 55.73 53.12 2dex s ARG 8 Cb -0.16 -3.82 -0.05 0.00 0.06 0.00 0.00 34.95 30.98 2dex s ARG 8 CO 0.12 -0.60 0.29 0.14 -2.50 0.00 0.00 175.30 172.76 2dex s VAL 9 N 2.16 5.27 -0.02 7.11 -7.23 -1.08 -4.92 120.40 121.70 2dex s VAL 9 Ca 0.14 -0.02 -0.01 0.00 -1.81 0.00 0.00 61.98 60.29 2dex s VAL 9 Cb -0.16 -3.60 0.02 0.00 0.56 0.00 0.00 36.38 33.20 2dex s VAL 9 CO 0.12 0.19 0.05 -0.89 -0.31 0.00 0.00 175.10 174.26 2dex s THR 10 N -1.48 -0.04 0.21 5.32 2.01 -1.26 -4.49 115.64 115.91 2dex s THR 10 Ca 0.34 0.15 0.26 0.00 0.31 0.00 0.00 61.69 62.75 2dex s THR 10 Cb -0.13 -0.09 0.27 0.00 0.01 0.00 0.00 72.50 72.56 2dex s THR 10 CO 0.22 0.06 1.91 1.55 -0.69 0.00 0.00 174.62 177.67 2dex h PRO 11 N 6.92 0.00 0.21 4.92 0.13 -1.80 -3.29 132.00 139.09 2dex h PRO 11 Ca -0.39 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2dex h PRO 11 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2dex h PRO 11 CO 0.48 0.17 -0.10 0.93 -0.23 0.00 0.00 178.00 179.25 2dex h GLU 12 N 0.00 -0.27 -6.59 0.86 4.39 -1.90 -3.45 114.58 107.61 2dex h GLU 12 Ca -0.00 0.02 -0.69 0.00 0.34 0.00 0.00 59.36 59.03 2dex h GLU 12 Cb 0.61 0.06 -0.29 0.00 -0.10 0.00 0.00 28.75 29.03 2dex h GLU 12 CO 0.02 0.03 -0.89 -0.65 -1.16 0.00 0.00 179.01 176.37 2dex s GLN 13 N -4.87 2.01 0.29 2.33 -1.52 -1.24 -5.12 119.66 111.55 2dex s GLN 13 Ca -0.15 -0.95 -0.29 0.00 -1.95 0.00 0.00 55.36 52.02 2dex s GLN 13 Cb 0.03 -1.99 -0.10 0.00 -0.22 0.00 0.00 33.01 30.73 2dex s GLN 13 CO 0.59 0.54 1.13 -1.25 -0.25 0.00 0.00 175.29 176.05 2dex s PRO 14 N -0.74 4.57 0.04 2.91 0.04 -1.26 -4.18 135.00 136.39 2dex s PRO 14 Ca 0.10 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.00 2dex s PRO 14 Cb -0.10 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 2dex s PRO 14 CO -0.00 0.13 0.11 0.95 0.04 0.00 0.00 177.00 178.23 2dex s THR 15 N -1.19 4.83 -0.06 1.26 -4.23 -0.43 -5.00 115.64 110.81 2dex s THR 15 Ca 0.46 -0.53 0.04 0.00 -1.18 0.00 0.00 61.69 60.47 2dex s THR 15 Cb -0.33 -3.29 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 2dex s THR 15 CO 0.42 0.22 -0.16 -1.00 -0.54 0.00 0.00 174.62 173.55 2dex s HIS 16 N -1.34 2.66 -0.02 3.99 3.76 -1.26 -0.91 115.29 122.16 2dex s HIS 16 Ca 0.28 -0.30 -0.21 0.00 -0.15 0.00 0.00 55.06 54.67 2dex s HIS 16 Cb -0.12 -1.65 0.04 0.00 1.11 0.00 0.00 32.58 31.96 2dex s HIS 16 CO 0.20 0.07 0.46 0.00 -0.85 0.00 0.00 174.74 174.62 2dex s ALA 17 N -0.51 -1.18 -0.04 -1.40 0.00 -0.76 -4.98 121.76 112.91 2dex s ALA 17 Ca 0.07 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.68 2dex s ALA 17 Cb -0.12 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2dex s ALA 17 CO 0.01 -0.31 0.20 0.08 0.00 0.00 0.00 175.76 175.74 2dex s VAL 18 N -1.34 5.41 -0.14 0.00 1.01 -1.26 -1.80 120.40 122.29 2dex s VAL 18 Ca -0.12 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 2dex s VAL 18 Cb -0.03 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.87 2dex s VAL 18 CO 0.06 0.43 -0.09 0.00 0.00 0.00 0.00 175.10 175.50 2dex s VAL 20 N 1.61 4.98 0.28 0.00 1.01 -1.26 -0.90 120.40 126.11 2dex s VAL 20 Ca 0.04 1.56 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 2dex s VAL 20 Cb -0.13 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.03 2dex s VAL 20 CO -0.09 0.17 1.55 0.18 0.00 0.00 0.00 175.10 176.92 2dex n LEU 21 N 4.25 4.01 0.00 3.92 4.77 0.01 -2.22 117.00 131.75 2dex n LEU 21 Ca 0.01 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 2dex n LEU 21 Cb 0.51 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2dex n LEU 21 CO 0.48 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2dex n GLY 22 N 2.23 0.52 3.89 -0.72 0.00 -1.26 -4.80 105.19 105.05 2dex n GLY 22 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2dex n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dex s THR 23 N -2.18 4.83 -0.24 2.61 2.01 -0.94 -5.09 115.64 116.64 2dex s THR 23 Ca 0.00 -1.20 -0.12 0.00 0.31 0.00 0.00 61.69 60.68 2dex s THR 23 Cb 0.00 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 2dex s THR 23 CO 0.00 -0.34 0.22 -0.22 -0.69 0.00 0.00 174.62 173.59 2dex s LEU 24 N -3.89 4.11 -0.14 4.42 1.98 -1.26 -4.98 118.68 118.92 2dex s LEU 24 Ca 0.33 0.18 0.02 0.00 -2.89 0.00 0.00 54.13 51.77 2dex s LEU 24 Cb -0.08 -2.20 0.01 0.00 0.66 0.00 0.00 46.19 44.58 2dex s LEU 24 CO 0.27 0.01 -0.20 -0.89 -1.89 0.00 0.00 176.35 173.65 2dex s THR 25 N 1.26 1.91 0.22 3.68 2.01 -1.26 -0.74 115.64 122.72 2dex s THR 25 Ca 0.10 -0.88 0.10 0.00 0.31 0.00 0.00 61.69 61.32 2dex s THR 25 Cb -0.14 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2dex s THR 25 CO 0.06 0.52 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.30 2dex s GLN 26 N 0.95 1.97 -0.06 4.92 -1.52 0.12 -0.52 119.66 125.52 2dex s GLN 26 Ca -0.05 -1.44 0.00 0.00 -1.95 0.00 0.00 55.36 51.93 2dex s GLN 26 Cb -0.15 -2.04 -0.03 0.00 -0.22 0.00 0.00 33.01 30.57 2dex s GLN 26 CO -0.04 0.39 -0.04 -0.51 -0.25 0.00 0.00 175.29 174.85 2dex s LEU 27 N -3.15 3.36 -0.45 2.90 1.02 0.29 -0.44 118.68 122.22 2dex s LEU 27 Ca 0.27 0.03 -0.17 0.00 0.02 0.00 0.00 54.13 54.28 2dex s LEU 27 Cb -0.07 -1.78 0.04 0.00 0.02 0.00 0.00 46.19 44.40 2dex s LEU 27 CO 0.16 0.35 0.42 -0.62 0.02 0.00 0.00 176.35 176.68 2dex s ASP 28 N -0.97 6.17 -0.09 2.29 -1.08 0.49 -4.45 116.67 119.02 2dex s ASP 28 Ca 0.14 -0.95 0.09 0.00 -0.52 0.00 0.00 52.55 51.31 2dex s ASP 28 Cb -0.11 -2.21 -0.24 0.00 -1.46 0.00 0.00 42.92 38.90 2dex s ASP 28 CO 0.03 -0.62 0.47 -0.38 0.52 0.00 0.00 175.17 175.19 2dex n ILE 29 N 5.34 1.60 -0.07 4.11 -0.00 -1.26 -2.62 119.36 126.46 2dex n ILE 29 Ca -0.09 -0.77 -0.14 0.00 -0.00 0.00 0.00 62.75 61.74 2dex n ILE 29 Cb 0.46 -1.10 -0.13 0.00 -0.00 0.00 0.00 39.64 38.87 2dex n ILE 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2dex h SER 31 N -1.00 0.40 -0.03 0.00 0.02 -1.92 0.43 113.55 111.46 2dex h SER 31 Ca -0.03 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2dex h SER 31 Cb 1.01 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2dex h SER 31 CO -0.02 -0.15 -0.36 -1.20 -1.14 0.00 0.00 176.83 173.96 2dex n SER 32 N -4.89 1.93 -4.82 3.07 7.64 -1.26 -5.06 113.62 110.22 2dex n SER 32 Ca 0.33 -3.73 -0.33 0.00 1.01 0.00 0.00 58.87 56.15 2dex n SER 32 Cb 1.14 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 63.80 2dex n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dex s ALA 33 N -3.17 2.90 -0.10 -0.43 0.00 0.14 -4.32 121.76 116.79 2dex s ALA 33 Ca 0.38 0.32 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 2dex s ALA 33 Cb 0.36 -3.18 -0.28 0.00 0.00 0.00 0.00 23.12 20.01 2dex s ALA 33 CO -0.04 -0.49 0.84 -1.00 0.00 0.00 0.00 175.76 175.06 2dex h PRO 34 N 0.78 0.13 0.00 0.00 0.14 -1.93 -3.51 132.00 127.62 2dex h PRO 34 Ca -0.47 -0.22 -0.34 0.00 0.14 0.00 0.00 66.00 65.11 2dex h PRO 34 Cb 1.20 0.08 -0.06 0.00 0.14 0.00 0.00 31.00 32.36 2dex h PRO 34 CO 0.59 1.09 -2.27 2.41 0.14 0.00 0.00 178.00 179.97 2dex n THR 38 N -4.41 1.27 -4.30 1.56 -1.04 -1.07 -5.15 114.28 101.15 2dex n THR 38 Ca -0.12 -0.63 -0.16 0.00 -2.04 0.00 0.00 64.05 61.10 2dex n THR 38 Cb 0.62 -0.91 -0.10 0.00 -1.82 0.00 0.00 70.33 68.12 2dex n THR 38 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2dex s SER 39 N -5.71 1.08 0.11 8.00 0.01 -0.19 -0.67 113.70 116.32 2dex s SER 39 Ca -0.20 -1.37 -0.11 0.00 1.31 0.00 0.00 55.95 55.58 2dex s SER 39 Cb 0.07 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.49 2dex s SER 39 CO 0.63 -0.73 0.27 0.72 0.41 0.00 0.00 173.24 174.54 2dex s PHE 40 N -3.79 0.05 0.10 2.43 -0.12 -0.60 -0.18 117.98 115.86 2dex s PHE 40 Ca 0.37 -0.44 0.03 0.00 -0.05 0.00 0.00 56.93 56.83 2dex s PHE 40 Cb 0.08 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 2dex s PHE 40 CO 0.13 -0.61 -0.08 -1.12 -0.05 0.00 0.00 175.22 173.49 2dex s SER 41 N -2.85 1.26 -0.04 1.98 0.01 0.41 -2.51 113.70 111.96 2dex s SER 41 Ca 0.05 -0.93 0.04 0.00 1.31 0.00 0.00 55.95 56.43 2dex s SER 41 Cb 0.04 0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.32 2dex s SER 41 CO -0.10 -0.38 -0.18 -0.63 0.41 0.00 0.00 173.24 172.35 2dex s ILE 42 N -3.14 1.49 -0.03 1.44 1.01 -1.26 -1.14 121.20 119.56 2dex s ILE 42 Ca 0.09 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.00 2dex s ILE 42 Cb 0.02 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.22 2dex s ILE 42 CO -0.03 0.43 -0.05 0.21 0.00 0.00 0.00 174.94 175.51 2dex s ASN 43 N 0.02 0.81 0.15 3.58 2.47 -0.35 -5.01 114.94 116.60 2dex s ASN 43 Ca -0.04 -0.11 -0.00 0.00 0.42 0.00 0.00 52.86 53.13 2dex s ASN 43 Cb -0.12 -0.31 -0.04 0.00 -1.45 0.00 0.00 41.25 39.33 2dex s ASN 43 CO 0.02 -0.01 0.04 0.00 -3.72 0.00 0.00 177.10 173.43 2dex s ALA 44 N 0.57 1.04 0.64 1.71 0.00 -1.26 0.02 121.76 124.48 2dex s ALA 44 Ca -0.07 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.22 2dex s ALA 44 Cb -0.11 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 2dex s ALA 44 CO -0.00 -0.44 1.06 -1.54 0.00 0.00 0.00 175.76 174.84 2dex s SER 45 N -3.10 5.56 0.56 0.00 1.04 -0.48 -4.92 113.70 112.36 2dex s SER 45 Ca 0.25 1.74 0.28 0.00 0.48 0.00 0.00 55.95 58.71 2dex s SER 45 Cb 0.07 -2.52 1.47 0.00 0.10 0.00 0.00 66.02 65.14 2dex s SER 45 CO 0.03 -1.32 1.94 -0.65 0.98 0.00 0.00 173.24 174.22 2dex h PRO 46 N -0.09 0.00 0.00 4.02 0.11 -1.98 0.12 132.00 134.18 2dex h PRO 46 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2dex h PRO 46 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2dex h PRO 46 CO 0.57 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.14 2dex h GLY 47 N 0.00 0.00 -7.06 -0.55 0.00 -1.96 -3.42 103.07 90.09 2dex h GLY 47 Ca 0.27 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.98 2dex h GLY 47 CO -0.00 0.00 -0.54 0.14 0.00 0.00 0.00 176.54 176.14 2dex s VAL 48 N -3.36 5.04 -0.30 4.60 1.01 0.03 -2.39 120.40 125.04 2dex s VAL 48 Ca 0.05 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 2dex s VAL 48 Cb 0.09 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2dex s VAL 48 CO 0.47 0.35 0.24 -0.69 0.00 0.00 0.00 175.10 175.48 2dex s VAL 49 N 1.13 5.27 -0.34 2.92 1.01 0.26 -4.71 120.40 125.94 2dex s VAL 49 Ca 0.06 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 2dex s VAL 49 Cb -0.14 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.66 2dex s VAL 49 CO 0.05 0.16 0.12 -0.69 0.00 0.00 0.00 175.10 174.73 2dex s VAL 50 N 1.82 3.93 -0.06 2.92 1.01 -1.26 0.24 120.40 129.00 2dex s VAL 50 Ca 0.08 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 2dex s VAL 50 Cb -0.16 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2dex s VAL 50 CO 0.11 -0.17 0.02 -0.62 0.00 0.00 0.00 175.10 174.43 2dex s ASP 51 N 1.43 5.31 0.00 3.32 2.15 -0.73 -4.99 116.67 123.16 2dex s ASP 51 Ca -0.01 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.10 2dex s ASP 51 Cb -0.19 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.94 2dex s ASP 51 CO 0.03 0.35 0.00 0.00 -0.17 0.00 0.00 175.17 175.38 2dex n ILE 52 N 1.87 0.00 0.00 4.11 3.06 -1.26 -1.77 119.36 125.37 2dex n ILE 52 Ca -0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 2dex n ILE 52 Cb 0.53 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.71 2dex n ILE 52 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2dex n THR 67 N 0.00 0.00 -4.34 9.51 -1.04 -1.20 -4.85 114.28 112.35 2dex n THR 67 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 2dex n THR 67 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 2dex n THR 67 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2dex s TRP 68 N -0.11 1.99 0.45 -1.42 0.52 -1.04 -5.04 118.94 114.30 2dex s TRP 68 Ca 0.00 -0.41 -0.20 0.00 0.02 0.00 0.00 56.10 55.51 2dex s TRP 68 Cb 0.00 -1.05 -0.10 0.00 -1.15 0.00 0.00 33.47 31.17 2dex s TRP 68 CO 0.00 0.31 0.96 -1.25 0.02 0.00 0.00 176.95 176.99 2dex s PRO 69 N -2.25 4.15 -1.47 4.98 0.05 -1.26 -1.56 135.00 137.63 2dex s PRO 69 Ca 0.12 1.09 -0.11 0.00 0.05 0.00 0.00 61.00 62.16 2dex s PRO 69 Cb -0.09 -2.17 0.03 0.00 0.05 0.00 0.00 34.50 32.32 2dex s PRO 69 CO 0.06 -0.10 2.44 -0.11 0.05 0.00 0.00 177.00 179.34 2dex n LEU 70 N -0.87 7.64 -4.37 -3.56 0.00 0.15 -4.72 117.00 111.28 2dex n LEU 70 Ca 0.07 -4.40 -0.32 0.00 0.00 0.00 0.00 56.01 51.36 2dex n LEU 70 Cb 0.54 -1.56 -0.15 0.00 0.00 0.00 0.00 43.42 42.26 2dex n LEU 70 CO 0.39 1.61 -0.50 -0.62 0.00 0.00 0.00 177.39 178.27 2dex s ASP 71 N 2.10 3.63 0.54 1.96 2.15 -1.26 -4.95 116.67 120.84 2dex s ASP 71 Ca 0.54 -0.35 0.21 0.00 0.43 0.00 0.00 52.55 53.39 2dex s ASP 71 Cb 0.15 -0.97 1.42 0.00 -0.30 0.00 0.00 42.92 43.22 2dex s ASP 71 CO -0.07 0.27 2.13 -0.65 -0.17 0.00 0.00 175.17 176.68 2dex h PRO 72 N 5.88 0.00 -0.82 4.34 0.11 -2.00 -2.02 132.00 137.49 2dex h PRO 72 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2dex h PRO 72 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2dex h PRO 72 CO 0.50 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 2dex n GLY 73 N -1.51 1.80 3.47 -0.55 0.00 -1.26 -4.77 105.19 102.36 2dex n GLY 73 Ca 0.00 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2dex n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dex s VAL 74 N -1.55 4.79 -0.34 1.61 0.11 -0.76 -5.03 120.40 119.24 2dex s VAL 74 Ca 0.16 -0.27 -0.28 0.00 -2.93 0.00 0.00 61.98 58.66 2dex s VAL 74 Cb 0.12 -4.32 0.02 0.00 -1.53 0.00 0.00 36.38 30.67 2dex s VAL 74 CO 0.05 -0.81 1.03 -1.61 -3.33 0.00 0.00 175.10 170.42 2dex s GLU 75 N 2.86 3.99 -0.28 1.54 0.41 -1.26 -4.94 118.70 121.02 2dex s GLU 75 Ca 0.19 0.90 -0.01 0.00 -0.41 0.00 0.00 54.97 55.63 2dex s GLU 75 Cb -0.17 -3.76 0.04 0.00 -1.78 0.00 0.00 34.13 28.46 2dex s GLU 75 CO 0.14 -0.92 -0.03 0.08 -0.49 0.00 0.00 175.26 174.04 2dex s VAL 76 N 3.61 2.90 -0.10 2.63 1.01 -1.26 -4.35 120.40 124.84 2dex s VAL 76 Ca 0.43 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2dex s VAL 76 Cb -0.12 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 2dex s VAL 76 CO 0.17 0.01 -0.16 0.28 0.00 0.00 0.00 175.10 175.39 2dex s THR 77 N 1.27 2.80 -0.12 3.92 -1.32 -0.73 -0.54 115.64 120.92 2dex s THR 77 Ca -0.04 -0.77 -0.05 0.00 -1.21 0.00 0.00 61.69 59.63 2dex s THR 77 Cb -0.19 -2.13 -0.04 0.00 -1.51 0.00 0.00 72.50 68.64 2dex s THR 77 CO -0.02 0.55 0.05 -0.76 -2.21 0.00 0.00 174.62 172.22 2dex s LEU 78 N 0.06 3.83 -0.03 9.08 1.43 0.33 -1.78 118.68 131.59 2dex s LEU 78 Ca -0.06 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 2dex s LEU 78 Cb -0.15 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 2dex s LEU 78 CO 0.05 0.33 -0.15 -0.89 0.23 0.00 0.00 176.35 175.92 2dex s THR 79 N -0.56 1.23 -0.06 5.49 2.01 0.14 -4.02 115.64 119.85 2dex s THR 79 Ca 0.10 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.52 2dex s THR 79 Cb -0.12 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 2dex s THR 79 CO 0.02 0.36 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.07 2dex s MET 80 N -0.07 2.62 -0.12 4.92 -1.94 -1.26 0.92 119.30 124.37 2dex s MET 80 Ca -0.00 -0.80 -0.26 0.00 -1.71 0.00 0.00 55.69 52.91 2dex s MET 80 Cb -0.09 -2.29 -0.27 0.00 2.01 0.00 0.00 34.83 34.18 2dex s MET 80 CO 0.01 0.46 0.76 0.87 -0.01 0.00 0.00 175.02 177.11 2dex h LYS 81 N 5.86 0.10 -4.90 2.03 1.57 -1.85 -3.47 116.57 115.91 2dex h LYS 81 Ca -0.37 -0.17 -0.33 0.00 -1.87 0.00 0.00 60.65 57.91 2dex h LYS 81 Cb 1.17 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 2dex h LYS 81 CO 0.49 1.08 -0.65 0.00 -0.57 0.00 0.00 179.45 179.81 2dex s ALA 82 N -2.30 1.57 0.53 3.86 0.00 -1.26 -5.10 121.76 119.06 2dex s ALA 82 Ca -0.18 -1.71 -0.22 0.00 0.00 0.00 0.00 51.96 49.85 2dex s ALA 82 Cb -0.01 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 2dex s ALA 82 CO 0.73 -0.33 1.33 0.00 0.00 0.00 0.00 175.76 177.49 2dex s ALA 83 N -3.61 2.85 0.36 0.00 0.00 -1.26 -4.72 121.76 115.38 2dex s ALA 83 Ca 0.28 1.29 -0.26 0.00 0.00 0.00 0.00 51.96 53.27 2dex s ALA 83 Cb 0.06 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 2dex s ALA 83 CO 0.08 -1.28 1.12 -1.12 0.00 0.00 0.00 175.76 174.56 2dex s SER 84 N -1.00 6.82 0.03 0.00 0.01 0.11 -4.91 113.70 114.77 2dex s SER 84 Ca 0.70 2.25 0.10 0.00 1.31 0.00 0.00 55.95 60.32 2dex s SER 84 Cb -0.39 -2.61 -0.21 0.00 0.21 0.00 0.00 66.02 63.02 2dex s SER 84 CO 0.46 -0.46 0.94 1.23 0.41 0.00 0.00 173.24 175.83 2dex h GLY 85 N 2.98 0.00 -3.45 3.44 0.00 -1.90 -3.04 103.07 101.11 2dex h GLY 85 Ca -0.48 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.60 2dex h GLY 85 CO 0.64 0.00 -0.71 -0.56 0.00 0.00 0.00 176.54 175.91 2dex s SER 86 N -6.35 1.13 0.22 0.19 0.01 -1.26 -4.31 113.70 103.33 2dex s SER 86 Ca -0.02 -0.89 -0.30 0.00 1.31 0.00 0.00 55.95 56.05 2dex s SER 86 Cb 0.09 0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.30 2dex s SER 86 CO 0.82 -0.39 1.32 0.42 0.41 0.00 0.00 173.24 175.83 2dex s THR 87 N -3.03 3.09 -1.07 1.44 -4.23 -1.26 -2.39 115.64 108.18 2dex s THR 87 Ca 0.07 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 2dex s THR 87 Cb 0.01 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.27 2dex s THR 87 CO -0.03 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2dex n GLY 88 N 2.15 0.96 0.00 3.99 0.00 -1.16 -4.90 105.19 106.22 2dex n GLY 88 Ca 0.05 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.69 2dex n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dex n ASP 89 N 0.25 0.00 -4.40 1.61 3.85 -1.00 -4.51 116.55 112.34 2dex n ASP 89 Ca -0.11 -0.61 -0.30 0.00 -0.71 0.00 0.00 54.79 53.06 2dex n ASP 89 Cb 0.39 -0.12 -0.14 0.00 -1.35 0.00 0.00 41.12 39.91 2dex n ASP 89 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 2dex s GLN 90 N -2.24 1.88 0.07 0.11 -1.52 -1.03 -5.02 119.66 111.91 2dex s GLN 90 Ca 0.38 -1.08 0.04 0.00 -1.95 0.00 0.00 55.36 52.75 2dex s GLN 90 Cb 0.20 -2.06 -0.03 0.00 -0.22 0.00 0.00 33.01 30.90 2dex s GLN 90 CO 0.39 0.52 -0.11 0.15 -0.25 0.00 0.00 175.29 175.99 2dex s LYS 91 N -1.43 0.71 -0.06 2.91 1.02 -1.26 -0.50 119.74 121.13 2dex s LYS 91 Ca 0.13 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 55.21 2dex s LYS 91 Cb -0.10 -0.54 0.02 0.00 -0.52 0.00 0.00 37.83 36.69 2dex s LYS 91 CO 0.04 0.10 -0.08 0.08 -0.92 0.00 0.00 175.35 174.57 2dex s VAL 92 N -1.62 0.87 -0.19 3.17 1.01 -0.09 -1.38 120.40 122.17 2dex s VAL 92 Ca -0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2dex s VAL 92 Cb -0.08 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.47 2dex s VAL 92 CO 0.01 0.30 -0.16 -1.58 0.00 0.00 0.00 175.10 173.68 2dex s GLN 93 N 0.89 3.09 -0.33 2.72 0.74 0.10 -0.75 119.66 126.12 2dex s GLN 93 Ca -0.11 -0.78 -0.09 0.00 0.05 0.00 0.00 55.36 54.43 2dex s GLN 93 Cb -0.15 -2.69 0.02 0.00 1.10 0.00 0.00 33.01 31.28 2dex s GLN 93 CO 0.01 -0.21 0.15 0.42 -0.55 0.00 0.00 175.29 175.11 2dex s ILE 94 N 1.34 4.34 -0.31 -2.34 1.09 -0.24 -1.22 121.20 123.86 2dex s ILE 94 Ca 0.05 -0.74 -0.12 0.00 -1.10 0.00 0.00 60.65 58.74 2dex s ILE 94 Cb -0.13 -3.33 -0.03 0.00 -1.06 0.00 0.00 42.46 37.90 2dex s ILE 94 CO -0.10 -0.07 0.23 -0.94 -0.10 0.00 0.00 174.94 173.95 2dex s SER 95 N 1.54 6.05 0.28 3.58 1.04 -0.30 0.16 113.70 126.06 2dex s SER 95 Ca 0.02 -0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.09 2dex s SER 95 Cb -0.18 -2.13 -0.08 0.00 0.10 0.00 0.00 66.02 63.72 2dex s SER 95 CO 0.05 -0.16 0.69 -0.31 0.98 0.00 0.00 173.24 174.49 2dex s TYR 96 N 1.76 3.43 0.24 5.02 2.02 0.16 -0.44 117.35 129.54 2dex s TYR 96 Ca 0.07 1.17 -0.19 0.00 -0.37 0.00 0.00 57.07 57.75 2dex s TYR 96 Cb -0.17 -2.48 0.02 0.00 -0.40 0.00 0.00 41.96 38.93 2dex s TYR 96 CO 0.11 0.18 0.62 1.52 -1.57 0.00 0.00 175.55 176.40 2dex s TYR 97 N -1.86 -0.10 0.32 2.71 1.13 0.75 -1.18 117.35 119.11 2dex s TYR 97 Ca 0.50 -0.29 -0.06 0.00 -1.41 0.00 0.00 57.07 55.81 2dex s TYR 97 Cb -0.12 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.27 2dex s TYR 97 CO 0.19 -1.08 0.49 0.20 -2.51 0.00 0.00 175.55 172.83 2dex s GLY 98 N -2.91 1.14 0.21 5.49 0.00 -1.21 -1.02 107.32 109.02 2dex s GLY 98 Ca 0.12 -1.29 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 2dex s GLY 98 CO 0.03 -0.86 1.64 -0.56 0.00 0.00 0.00 173.10 173.35 2dex h PRO 99 N 2.16 0.03 -0.33 2.90 0.13 -2.01 -2.88 132.00 132.00 2dex h PRO 99 Ca -0.28 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2dex h PRO 99 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2dex h PRO 99 CO 0.39 0.02 0.00 1.63 -0.23 0.00 0.00 178.00 179.81 2dex n LYS 100 N -5.39 2.89 -3.93 0.86 5.02 -1.26 -4.96 118.16 111.40 2dex n LYS 100 Ca 0.08 -2.17 -0.35 0.00 -2.02 0.00 0.00 58.31 53.85 2dex n LYS 100 Cb 0.34 -1.36 -0.14 0.00 -0.02 0.00 0.00 35.03 33.86 2dex n LYS 100 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2dex s THR 101 N -1.28 2.94 0.50 -0.18 2.01 -1.09 -5.10 115.64 113.44 2dex s THR 101 Ca 0.26 -1.29 -0.23 0.00 0.31 0.00 0.00 61.69 60.75 2dex s THR 101 Cb 0.15 -2.64 -0.07 0.00 0.01 0.00 0.00 72.50 69.95 2dex s THR 101 CO 0.15 -0.02 1.16 -2.65 -0.69 0.00 0.00 174.62 172.57 2dex n PRO 102 N 4.63 1.49 -1.69 4.92 -0.02 -1.26 -3.35 135.00 139.72 2dex n PRO 102 Ca -0.14 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 2dex n PRO 102 Cb 0.44 -2.31 0.02 0.00 -0.02 0.00 0.00 33.50 31.63 2dex n PRO 102 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2dex n PRO 103 N -0.46 1.79 -4.52 0.52 -0.02 -1.26 -4.87 135.00 126.17 2dex n PRO 103 Ca 0.10 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 2dex n PRO 103 Cb 0.43 -2.34 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 2dex n PRO 103 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dex s VAL 104 N -1.23 2.18 0.12 -1.45 1.01 -0.33 -4.94 120.40 115.77 2dex s VAL 104 Ca 0.63 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2dex s VAL 104 Cb -0.50 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 2dex s VAL 104 CO 0.57 0.54 0.42 -0.54 0.00 0.00 0.00 175.10 176.09 2dex s LYS 105 N 0.92 3.73 -0.02 2.72 1.02 -1.26 0.39 119.74 127.25 2dex s LYS 105 Ca -0.04 0.13 0.07 0.00 0.02 0.00 0.00 55.97 56.15 2dex s LYS 105 Cb -0.15 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2dex s LYS 105 CO -0.04 0.50 -0.24 0.00 -0.92 0.00 0.00 175.35 174.65 2dex s ALA 106 N -1.53 1.98 -0.11 5.17 0.00 0.12 -4.55 121.76 122.83 2dex s ALA 106 Ca 0.37 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 2dex s ALA 106 Cb -0.13 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2dex s ALA 106 CO 0.20 0.48 -0.06 -0.51 0.00 0.00 0.00 175.76 175.88 2dex s LEU 107 N -0.57 3.15 -0.13 0.00 1.02 -1.26 -1.08 118.68 119.81 2dex s LEU 107 Ca 0.09 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.14 2dex s LEU 107 Cb -0.09 -1.72 0.02 0.00 0.02 0.00 0.00 46.19 44.42 2dex s LEU 107 CO -0.01 0.26 -0.12 -0.22 0.02 0.00 0.00 176.35 176.28 2dex s LEU 108 N -0.19 1.49 -0.27 1.79 2.96 0.07 -1.32 118.68 123.21 2dex s LEU 108 Ca 0.03 -0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.43 2dex s LEU 108 Cb -0.13 -1.04 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 2dex s LEU 108 CO 0.03 -0.07 0.15 -0.31 -1.32 0.00 0.00 176.35 174.82 2dex s TYR 109 N 1.53 3.19 0.01 5.38 1.51 -0.08 -0.91 117.35 127.97 2dex s TYR 109 Ca 0.04 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.10 2dex s TYR 109 Cb -0.13 -2.33 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 2dex s TYR 109 CO -0.09 -0.20 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.59 2dex s LEU 110 N 1.66 3.23 -0.16 -1.29 1.02 0.34 -1.82 118.68 121.65 2dex s LEU 110 Ca 0.07 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.09 2dex s LEU 110 Cb -0.16 -1.86 0.03 0.00 0.02 0.00 0.00 46.19 44.23 2dex s LEU 110 CO 0.08 0.28 -0.12 -0.89 0.02 0.00 0.00 176.35 175.72 2dex s THR 111 N -1.03 1.53 0.00 5.49 2.01 -0.75 -2.46 115.64 120.44 2dex s THR 111 Ca 0.18 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 2dex s THR 111 Cb -0.11 -1.52 -0.06 0.00 0.01 0.00 0.00 72.50 70.82 2dex s THR 111 CO 0.08 0.33 0.45 0.00 -0.69 0.00 0.00 174.62 174.80 2dex s ALA 112 N 1.48 3.65 0.07 7.40 0.00 -1.26 -0.86 121.76 132.25 2dex s ALA 112 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2dex s ALA 112 Cb -0.14 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2dex s ALA 112 CO -0.10 0.41 -0.06 0.14 0.00 0.00 0.00 175.76 176.15 2dex s VAL 113 N -0.88 0.54 -0.26 0.00 -7.23 -0.08 0.07 120.40 112.56 2dex s VAL 113 Ca 0.25 -1.70 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 2dex s VAL 113 Cb -0.17 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 2dex s VAL 113 CO 0.14 -0.79 0.12 -0.70 -0.31 0.00 0.00 175.10 173.56 2dex s GLU 114 N -3.30 3.80 -0.41 4.82 2.12 -0.40 -0.81 118.70 124.53 2dex s GLU 114 Ca 0.05 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.00 2dex s GLU 114 Cb 0.02 -3.46 0.13 0.00 0.26 0.00 0.00 34.13 31.08 2dex s GLU 114 CO -0.05 -0.15 0.22 0.42 -0.54 0.00 0.00 175.26 175.16 2dex s ILE 115 N 1.59 1.10 -0.28 -3.70 -1.09 -1.26 -1.67 121.20 115.90 2dex s ILE 115 Ca 0.06 -2.26 -0.06 0.00 -2.23 0.00 0.00 60.65 56.17 2dex s ILE 115 Cb -0.15 -1.78 0.01 0.00 -1.58 0.00 0.00 42.46 38.95 2dex s ILE 115 CO 0.06 -0.89 0.05 -0.44 -1.23 0.00 0.00 174.94 172.49 2dex s SER 116 N 0.64 4.92 -0.32 3.58 0.01 0.39 -4.98 113.70 117.93 2dex s SER 116 Ca 0.17 -0.65 -0.18 0.00 1.31 0.00 0.00 55.95 56.60 2dex s SER 116 Cb -0.23 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 2dex s SER 116 CO -0.02 -0.15 0.52 -0.22 0.41 0.00 0.00 173.24 173.78 2dex s LEU 117 N 1.48 4.24 -0.00 2.44 0.20 -1.26 -0.59 118.68 125.19 2dex s LEU 117 Ca 0.03 0.16 0.08 0.00 0.69 0.00 0.00 54.13 55.09 2dex s LEU 117 Cb -0.17 -2.62 -0.02 0.00 -0.43 0.00 0.00 46.19 42.95 2dex s LEU 117 CO 0.01 -0.43 -0.26 0.00 -0.29 0.00 0.00 176.35 175.39 2dex s ALA 119 N -0.65 0.84 -1.36 0.00 0.00 -1.26 -0.36 121.76 118.96 2dex s ALA 119 Ca 0.10 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 2dex s ALA 119 Cb -0.10 1.26 0.07 0.00 0.00 0.00 0.00 23.12 24.36 2dex s ALA 119 CO -0.00 -0.72 1.95 -3.47 0.00 0.00 0.00 175.76 173.52 2dex n ASP 120 N -0.83 4.49 0.14 0.00 4.64 -1.26 -4.73 116.55 119.00 2dex n ASP 120 Ca 0.02 -2.91 0.12 0.00 -1.38 0.00 0.00 54.79 50.64 2dex n ASP 120 Cb 0.63 -1.67 0.26 0.00 -1.04 0.00 0.00 41.12 39.30 2dex n ASP 120 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 2dex h ILE 121 N 4.61 0.00 -0.01 5.18 3.07 -1.84 -2.91 117.51 125.61 2dex h ILE 121 Ca 0.49 -0.71 0.00 0.00 1.55 0.00 0.00 64.86 66.19 2dex h ILE 121 Cb 0.74 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 2dex h ILE 121 CO 1.65 0.00 -0.34 0.35 -1.05 0.00 0.00 178.15 178.76 2dex n THR 122 N -2.57 0.00 -3.15 0.16 -2.24 -1.26 -1.18 114.28 104.04 2dex n THR 122 Ca 0.04 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 2dex n THR 122 Cb 0.48 0.46 0.05 0.00 -2.10 0.00 0.00 70.33 69.22 2dex n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dex n ARG 123 N -0.77 -4.85 0.00 -0.78 1.74 -1.10 -4.94 116.66 105.97 2dex n ARG 123 Ca 0.11 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 2dex n ARG 123 Cb 0.36 -4.59 0.00 0.00 -1.02 0.00 0.00 32.46 27.21 2dex n ARG 123 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2dex n THR 124 N -3.95 0.00 0.00 0.55 -1.04 -1.26 -4.79 114.28 103.79 2dex n THR 124 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2dex n THR 124 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 2dex n THR 124 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dex n GLY 125 N 0.00 1.47 3.55 3.41 0.00 -1.26 -5.02 105.19 107.33 2dex n GLY 125 Ca 0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 2dex n GLY 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dex n LYS 126 N 0.50 0.54 -0.22 1.61 4.76 -1.26 -4.55 118.16 119.55 2dex n LYS 126 Ca 0.00 -0.61 -0.04 0.00 -2.87 0.00 0.00 58.31 54.79 2dex n LYS 126 Cb 0.00 -3.26 0.00 0.00 -1.84 0.00 0.00 35.03 29.94 2dex n LYS 126 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dex n GLN 136 N 8.39 0.00 -1.28 1.97 10.64 -1.26 -4.31 117.38 131.54 2dex n GLN 136 Ca 0.49 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 55.36 2dex n GLN 136 Cb 0.40 -0.25 0.05 0.00 -0.86 0.00 0.00 30.24 29.58 2dex n GLN 136 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2dex n ARG 137 N 0.56 2.41 -4.39 2.61 1.74 -1.26 -4.89 116.66 113.44 2dex n ARG 137 Ca -0.00 -2.74 -0.19 0.00 -0.77 0.00 0.00 57.85 54.15 2dex n ARG 137 Cb 0.08 -2.08 -0.15 0.00 -1.02 0.00 0.00 32.46 29.30 2dex n ARG 137 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dex s THR 138 N -3.92 0.75 -0.37 0.55 2.01 -1.26 -4.83 115.64 108.56 2dex s THR 138 Ca 0.53 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.93 2dex s THR 138 Cb 0.41 -0.63 0.01 0.00 0.01 0.00 0.00 72.50 72.30 2dex s THR 138 CO -0.07 0.22 0.67 0.86 -0.69 0.00 0.00 174.62 175.61 2dex s TRP 139 N -0.16 3.12 -0.05 4.92 -0.00 -1.26 -4.52 118.94 120.99 2dex s TRP 139 Ca 0.03 0.32 0.04 0.00 -0.00 0.00 0.00 56.10 56.49 2dex s TRP 139 Cb -0.04 -3.25 -0.02 0.00 -0.00 0.00 0.00 33.47 30.15 2dex s TRP 139 CO -0.00 -0.70 -0.17 0.95 -0.00 0.00 0.00 176.95 177.03 2dex s THR 140 N 2.83 2.82 0.60 5.86 -4.23 0.49 -4.98 115.64 119.03 2dex s THR 140 Ca 0.26 -0.81 -0.15 0.00 -1.18 0.00 0.00 61.69 59.81 2dex s THR 140 Cb -0.14 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 2dex s THR 140 CO 0.16 0.58 1.05 0.26 -0.54 0.00 0.00 174.62 176.13 2dex s TRP 141 N -0.59 3.09 0.00 3.99 0.52 -1.26 -2.50 118.94 122.19 2dex s TRP 141 Ca 0.08 1.49 0.00 0.00 0.02 0.00 0.00 56.10 57.69 2dex s TRP 141 Cb -0.11 -2.95 0.00 0.00 -1.15 0.00 0.00 33.47 29.26 2dex s TRP 141 CO 0.01 -1.02 0.00 0.41 0.02 0.00 0.00 176.95 176.37 2dex n GLY 142 N -1.26 1.48 0.25 0.98 0.00 0.71 -4.22 105.19 103.13 2dex n GLY 142 Ca 0.08 -1.99 0.09 0.00 0.00 0.00 0.00 46.02 44.20 2dex n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dex h PRO 143 N 0.00 0.00 -0.57 1.61 0.11 -1.83 0.10 132.00 131.42 2dex h PRO 143 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2dex h PRO 143 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2dex h PRO 143 CO 0.00 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 177.91 2dex n GLY 145 N 1.35 0.14 3.34 0.00 0.00 0.36 -5.08 105.19 105.30 2dex n GLY 145 Ca 0.19 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 2dex n GLY 145 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dex s GLN 146 N -3.47 0.86 0.00 1.61 0.74 -1.04 -4.91 119.66 113.45 2dex s GLN 146 Ca 0.23 -0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.50 2dex s GLN 146 Cb -0.01 0.39 0.00 0.00 1.10 0.00 0.00 33.01 34.49 2dex s GLN 146 CO 0.15 -0.27 0.00 0.41 -0.55 0.00 0.00 175.29 175.03 2dex n GLY 147 N 0.89 4.18 3.84 2.59 0.00 -0.32 -0.38 105.19 115.99 2dex n GLY 147 Ca -0.20 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 2dex n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dex s ALA 148 N -0.12 2.90 -0.02 4.61 0.00 -1.21 -4.70 121.76 123.22 2dex s ALA 148 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.11 2dex s ALA 148 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2dex s ALA 148 CO 0.00 -0.74 -0.04 0.42 0.00 0.00 0.00 175.76 175.39 2dex s ILE 149 N -2.85 3.85 -0.06 0.00 1.09 -1.26 -1.00 121.20 120.96 2dex s ILE 149 Ca 0.59 -0.63 0.04 0.00 -1.10 0.00 0.00 60.65 59.54 2dex s ILE 149 Cb -0.13 -2.66 0.00 0.00 -1.06 0.00 0.00 42.46 38.61 2dex s ILE 149 CO 0.45 0.45 -0.17 -0.22 -0.10 0.00 0.00 174.94 175.34 2dex s LEU 150 N -1.30 1.86 0.02 2.97 0.20 -0.08 -4.82 118.68 117.54 2dex s LEU 150 Ca 0.17 -0.39 -0.13 0.00 0.69 0.00 0.00 54.13 54.47 2dex s LEU 150 Cb -0.11 -1.03 -0.06 0.00 -0.43 0.00 0.00 46.19 44.56 2dex s LEU 150 CO 0.07 0.12 0.40 -0.76 -0.29 0.00 0.00 176.35 175.88 2dex s LEU 151 N 0.32 4.43 -0.05 -0.68 1.43 -1.26 -0.69 118.68 122.19 2dex s LEU 151 Ca -0.11 0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 53.59 2dex s LEU 151 Cb -0.15 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 2dex s LEU 151 CO 0.04 0.28 1.44 -0.69 0.23 0.00 0.00 176.35 177.66 2dex s VAL 152 N -1.17 3.79 -1.39 -1.59 1.01 -1.26 -1.70 120.40 118.09 2dex s VAL 152 Ca 0.26 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.21 2dex s VAL 152 Cb -0.16 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.62 2dex s VAL 152 CO 0.14 -0.05 2.14 -3.20 0.00 0.00 0.00 175.10 174.14 2dex n ASN 153 N 6.08 4.97 -0.94 3.32 5.15 -0.44 -4.65 115.26 128.75 2dex n ASN 153 Ca 0.14 -2.96 0.08 0.00 -0.60 0.00 0.00 54.58 51.25 2dex n ASN 153 Cb 0.44 -1.56 0.23 0.00 -0.53 0.00 0.00 39.78 38.36 2dex n ASN 153 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dex n ASP 155 N 0.80 0.00 -3.44 0.00 5.75 -1.26 -0.34 116.55 118.06 2dex n ASP 155 Ca 0.17 -0.87 -0.28 0.00 -0.01 0.00 0.00 54.79 53.80 2dex n ASP 155 Cb 0.56 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.53 2dex n ASP 155 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2dex s ARG 156 N -1.85 0.61 0.36 0.11 3.52 -0.67 -1.36 118.95 119.67 2dex s ARG 156 Ca 0.00 -1.45 0.19 0.00 -0.13 0.00 0.00 55.73 54.34 2dex s ARG 156 Cb 0.00 -1.30 0.53 0.00 -1.56 0.00 0.00 34.95 32.62 2dex s ARG 156 CO 0.00 -1.24 1.65 -0.44 -0.81 0.00 0.00 175.30 174.46 2dex h ASP 157 N 6.76 0.00 -2.15 -2.12 3.32 -1.92 -1.07 116.42 119.24 2dex h ASP 157 Ca 0.10 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.55 2dex h ASP 157 Cb 0.96 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.56 2dex h ASP 157 CO 0.28 0.36 0.85 -3.20 -1.72 0.00 0.00 179.24 175.81 2dex n ASN 158 N -3.36 3.06 -0.00 6.45 4.05 -1.26 -4.86 115.26 119.35 2dex n ASN 158 Ca 0.01 1.06 -0.00 0.00 0.45 0.00 0.00 54.58 56.10 2dex n ASN 158 Cb 0.57 -1.39 -0.00 0.00 1.23 0.00 0.00 39.78 40.19 2dex n ASN 158 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2dex h LEU 159 N 6.66 -0.00 -3.86 1.20 3.38 -1.96 -3.20 115.31 117.53 2dex h LEU 159 Ca -0.46 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.95 2dex h LEU 159 Cb 1.27 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.60 2dex h LEU 159 CO 0.90 -0.00 -0.68 -0.62 0.09 0.00 0.00 178.44 178.13 2dex n GLU 160 N -2.58 3.53 -3.61 1.13 1.02 -1.26 -5.05 120.64 113.82 2dex n GLU 160 Ca -0.00 -4.14 -0.22 0.00 -0.02 0.00 0.00 57.16 52.78 2dex n GLU 160 Cb 0.00 -2.28 -0.02 0.00 -0.02 0.00 0.00 31.44 29.12 2dex n GLU 160 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dex s SER 161 N -3.45 4.95 -0.09 1.62 0.15 -1.21 -5.07 113.70 110.60 2dex s SER 161 Ca 0.52 -0.86 0.04 0.00 0.70 0.00 0.00 55.95 56.34 2dex s SER 161 Cb 0.42 -0.32 -0.08 0.00 -1.71 0.00 0.00 66.02 64.32 2dex s SER 161 CO 0.01 -0.78 -0.04 -1.54 1.20 0.00 0.00 173.24 172.09 2dex n SER 162 N -1.62 3.12 -4.78 5.45 3.41 -1.26 -5.04 113.62 112.89 2dex n SER 162 Ca 0.03 -0.03 -0.34 0.00 -0.26 0.00 0.00 58.87 58.28 2dex n SER 162 Cb 0.62 0.24 0.01 0.00 -0.26 0.00 0.00 64.21 64.82 2dex n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dex s ALA 163 N -2.20 2.68 0.56 7.33 0.00 -1.26 -5.03 121.76 123.84 2dex s ALA 163 Ca -0.09 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.25 2dex s ALA 163 Cb 0.03 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2dex s ALA 163 CO 0.28 -0.84 1.33 -1.64 0.00 0.00 0.00 175.76 174.89 2dex s MET 164 N -3.72 3.05 0.38 0.00 1.00 -1.26 -4.74 119.30 114.00 2dex s MET 164 Ca 0.68 2.17 0.07 0.00 0.00 0.00 0.00 55.69 58.60 2dex s MET 164 Cb -0.19 -2.17 0.80 0.00 0.00 0.00 0.00 34.83 33.26 2dex s MET 164 CO 0.33 -1.24 1.99 -0.44 0.00 0.00 0.00 175.02 175.65 2dex h ASP 165 N 1.29 0.59 0.27 3.03 3.32 -1.32 -2.51 116.42 121.07 2dex h ASP 165 Ca -0.51 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2dex h ASP 165 Cb 1.30 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2dex h ASP 165 CO 0.56 0.39 0.00 0.00 -1.72 0.00 0.00 179.24 178.47 2dex h GLU 167 N 0.00 0.00 0.00 0.00 5.08 -1.76 -3.46 114.58 114.45 2dex h GLU 167 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 2dex h GLU 167 Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 2dex h GLU 167 CO 0.00 0.43 -0.11 -0.40 -1.00 0.00 0.00 179.01 177.93 2dex n ASP 168 N -3.76 2.05 -2.49 1.42 5.68 -1.25 -5.05 116.55 113.15 2dex n ASP 168 Ca -0.01 -2.44 -0.30 0.00 -0.50 0.00 0.00 54.79 51.54 2dex n ASP 168 Cb 0.50 -0.27 0.02 0.00 -1.14 0.00 0.00 41.12 40.22 2dex n ASP 168 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2dex n ASP 169 N -2.25 5.49 -3.96 -1.12 5.68 -1.26 -4.99 116.55 114.13 2dex n ASP 169 Ca 0.10 -3.75 -0.10 0.00 -0.50 0.00 0.00 54.79 50.54 2dex n ASP 169 Cb 0.53 -0.60 -0.11 0.00 -1.14 0.00 0.00 41.12 39.80 2dex n ASP 169 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2dex s GLU 170 N -3.68 0.27 -0.39 0.11 2.02 -1.26 -4.47 118.70 111.30 2dex s GLU 170 Ca 0.50 -0.52 -0.20 0.00 0.02 0.00 0.00 54.97 54.77 2dex s GLU 170 Cb 0.42 0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.74 2dex s GLU 170 CO -0.19 -0.04 0.60 0.08 0.02 0.00 0.00 175.26 175.73 2dex s VAL 171 N -1.23 4.91 -0.79 2.63 1.01 -1.26 -4.94 120.40 120.73 2dex s VAL 171 Ca -0.13 0.30 0.21 0.00 0.00 0.00 0.00 61.98 62.36 2dex s VAL 171 Cb -0.08 -4.09 -0.23 0.00 0.00 0.00 0.00 36.38 31.97 2dex s VAL 171 CO -0.01 -0.40 0.85 0.18 0.00 0.00 0.00 175.10 175.72 2dex n LEU 172 N 6.03 0.76 -3.82 3.92 4.77 -1.26 -4.92 117.00 122.48 2dex n LEU 172 Ca -0.03 -0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 55.48 2dex n LEU 172 Cb 0.48 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 2dex n LEU 172 CO 0.50 0.18 -0.19 -1.81 -1.33 0.00 0.00 177.39 174.74 2dex s ASP 173 N -3.35 -0.14 0.47 -1.43 1.01 -1.26 -5.03 116.67 106.94 2dex s ASP 173 Ca 0.05 0.26 0.15 0.00 0.71 0.00 0.00 52.55 53.72 2dex s ASP 173 Cb 0.16 0.30 1.09 0.00 1.01 0.00 0.00 42.92 45.48 2dex s ASP 173 CO 0.87 -0.08 2.04 0.77 0.21 0.00 0.00 175.17 178.98 2dex h SER 174 N 5.77 0.00 1.62 0.27 4.64 -2.00 -1.86 113.55 121.99 2dex h SER 174 Ca -0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2dex h SER 174 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2dex h SER 174 CO 0.41 0.12 -0.05 1.05 -0.87 0.00 0.00 176.83 177.50 2dex h GLU 175 N 0.00 0.00 -0.97 4.77 9.09 -1.99 -2.99 114.58 122.49 2dex h GLU 175 Ca -0.00 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.49 2dex h GLU 175 Cb 0.22 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.25 2dex h GLU 175 CO 0.02 0.05 0.62 0.22 0.05 0.00 0.00 179.01 179.97 2dex h ASP 176 N 0.00 0.96 -0.06 3.06 3.58 -1.73 -2.04 116.42 120.19 2dex h ASP 176 Ca -0.00 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.48 2dex h ASP 176 Cb 0.87 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 2dex h ASP 176 CO 0.01 0.59 0.08 -0.07 -2.88 0.00 0.00 179.24 176.97 2dex h LEU 177 N 1.07 0.00 -2.08 2.28 3.38 -1.62 0.02 115.31 118.36 2dex h LEU 177 Ca 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 2dex h LEU 177 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2dex h LEU 177 CO -0.19 0.00 -0.08 1.56 0.09 0.00 0.00 178.44 179.82 2dex h GLN 178 N 0.00 0.00 0.00 1.13 4.20 -1.53 -2.02 115.11 116.89 2dex h GLN 178 Ca 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2dex h GLN 178 Cb 0.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2dex h GLN 178 CO -0.00 0.08 -0.35 -0.44 -0.67 0.00 0.00 178.83 177.45 2dex h ASP 179 N 0.00 0.00 -3.31 1.46 3.32 -1.12 -3.43 116.42 113.33 2dex h ASP 179 Ca -0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2dex h ASP 179 Cb 0.25 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.83 2dex h ASP 179 CO 0.01 0.08 0.01 -0.04 -1.72 0.00 0.00 179.24 177.58 2dex s MET 180 N -3.21 3.53 -0.15 3.56 -1.94 -0.76 -4.52 119.30 115.81 2dex s MET 180 Ca 0.04 0.03 -0.13 0.00 -1.71 0.00 0.00 55.69 53.92 2dex s MET 180 Cb 0.07 -2.47 -0.05 0.00 2.01 0.00 0.00 34.83 34.38 2dex s MET 180 CO 0.71 -0.08 0.29 -1.12 -0.01 0.00 0.00 175.02 174.82 2dex s SER 181 N -4.05 6.46 0.01 3.03 0.01 0.41 -4.82 113.70 114.76 2dex s SER 181 Ca 0.45 0.54 -0.30 0.00 1.31 0.00 0.00 55.95 57.95 2dex s SER 181 Cb -0.10 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 2dex s SER 181 CO 0.41 0.14 0.98 -0.22 0.41 0.00 0.00 173.24 174.96 2dex s LEU 182 N 0.25 4.38 -0.04 2.44 2.96 -1.26 -1.10 118.68 126.32 2dex s LEU 182 Ca 0.17 1.68 0.04 0.00 -0.22 0.00 0.00 54.13 55.80 2dex s LEU 182 Cb -0.13 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 2dex s LEU 182 CO 0.05 -0.25 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.35 2dex s MET 183 N 0.92 1.58 -0.02 1.98 -2.45 -0.25 -4.36 119.30 116.71 2dex s MET 183 Ca 0.52 -0.55 0.05 0.00 -1.25 0.00 0.00 55.69 54.46 2dex s MET 183 Cb -0.21 -1.41 -0.01 0.00 1.25 0.00 0.00 34.83 34.45 2dex s MET 183 CO 0.28 0.24 -0.18 0.95 1.05 0.00 0.00 175.02 177.36 2dex s THR 184 N 0.01 1.43 -0.32 10.11 -4.23 0.51 0.59 115.64 123.73 2dex s THR 184 Ca -0.02 -0.76 -0.10 0.00 -1.18 0.00 0.00 61.69 59.62 2dex s THR 184 Cb -0.10 -1.20 -0.00 0.00 1.34 0.00 0.00 72.50 72.54 2dex s THR 184 CO 0.01 0.41 0.17 -0.22 -0.54 0.00 0.00 174.62 174.45 2dex s LEU 185 N -0.34 4.23 -0.23 4.79 0.20 0.24 0.15 118.68 127.72 2dex s LEU 185 Ca 0.05 -0.60 -0.08 0.00 0.69 0.00 0.00 54.13 54.19 2dex s LEU 185 Cb -0.08 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 43.63 2dex s LEU 185 CO -0.00 -0.23 0.10 -0.44 -0.29 0.00 0.00 176.35 175.49 2dex s SER 186 N 1.61 5.54 0.00 3.68 0.01 0.24 -1.52 113.70 123.27 2dex s SER 186 Ca 0.04 -0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.30 2dex s SER 186 Cb -0.17 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 2dex s SER 186 CO 0.06 0.04 -0.15 0.42 0.41 0.00 0.00 173.24 174.03 2dex s THR 187 N 1.17 1.19 -0.16 1.44 -4.23 -0.53 -0.46 115.64 114.05 2dex s THR 187 Ca 0.05 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.76 2dex s THR 187 Cb -0.14 -1.02 0.06 0.00 1.34 0.00 0.00 72.50 72.73 2dex s THR 187 CO 0.04 0.24 0.06 -0.75 -0.54 0.00 0.00 174.62 173.68 2dex s LYS 188 N -0.60 0.31 0.18 3.99 2.20 -0.67 -0.90 119.74 124.25 2dex s LYS 188 Ca 0.05 -0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.48 2dex s LYS 188 Cb -0.06 -1.79 -0.04 0.00 -1.51 0.00 0.00 37.83 34.42 2dex s LYS 188 CO 0.00 -0.61 0.11 0.95 -0.36 0.00 0.00 175.35 175.43 2dex s THR 189 N 2.03 0.04 0.71 3.43 -4.23 -0.14 -1.28 115.64 116.19 2dex s THR 189 Ca 0.01 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.39 2dex s THR 189 Cb -0.16 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.36 2dex s THR 189 CO -0.08 -0.16 1.21 -2.65 -0.54 0.00 0.00 174.62 172.40 2dex n PRO 190 N -0.21 0.73 -0.02 3.99 -0.02 -1.15 -1.67 135.00 136.66 2dex n PRO 190 Ca -0.01 0.31 0.20 0.00 -2.02 0.00 0.00 63.50 61.98 2dex n PRO 190 Cb 0.65 -2.45 0.67 0.00 -0.02 0.00 0.00 33.50 32.36 2dex n PRO 190 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2dex h LYS 191 N -0.03 0.04 -0.52 -0.52 1.57 -1.86 -1.24 116.57 114.01 2dex h LYS 191 Ca -0.49 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2dex h LYS 191 Cb 1.33 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2dex h LYS 191 CO 0.50 0.03 0.00 -0.40 -0.57 0.00 0.00 179.45 179.01 2dex n ASP 192 N -4.39 4.37 -0.05 0.86 3.85 -1.26 -3.94 116.55 115.99 2dex n ASP 192 Ca 0.10 -2.51 0.00 0.00 -0.71 0.00 0.00 54.79 51.67 2dex n ASP 192 Cb 0.60 -0.52 0.29 0.00 -1.35 0.00 0.00 41.12 40.14 2dex n ASP 192 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2dex h PHE 193 N 3.31 0.66 -0.26 2.11 3.04 -1.59 -2.61 116.94 121.60 2dex h PHE 193 Ca 0.00 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2dex h PHE 193 Cb 1.37 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.68 2dex h PHE 193 CO 0.65 0.55 0.00 1.19 -2.02 0.00 0.00 178.31 178.68 2dex n PHE 194 N -4.33 0.34 -0.16 0.41 3.01 -1.26 -2.75 117.46 112.72 2dex n PHE 194 Ca 0.03 -0.17 -0.06 0.00 1.01 0.00 0.00 57.45 58.26 2dex n PHE 194 Cb 0.18 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.69 2dex n PHE 194 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 2dex h THR 195 N 2.00 1.03 -0.02 4.37 2.02 -1.83 -3.36 112.91 117.12 2dex h THR 195 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2dex h THR 195 Cb 0.45 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2dex h THR 195 CO 0.00 0.10 0.00 0.59 0.37 0.00 0.00 175.52 176.58 2dex n ASN 196 N -4.83 1.46 -4.16 4.18 5.03 -1.16 -4.92 115.26 110.87 2dex n ASN 196 Ca 0.03 -1.30 -0.14 0.00 0.87 0.00 0.00 54.58 54.04 2dex n ASN 196 Cb 0.08 -0.01 -0.11 0.00 -1.02 0.00 0.00 39.78 38.72 2dex n ASN 196 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2dex s HIS 197 N -0.41 0.99 -0.00 3.10 3.76 -1.11 -0.22 115.29 121.41 2dex s HIS 197 Ca 0.04 -0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 54.29 2dex s HIS 197 Cb 0.03 -0.55 -0.00 0.00 1.11 0.00 0.00 32.58 33.16 2dex s HIS 197 CO 0.04 -0.02 0.04 -0.08 -0.85 0.00 0.00 174.74 173.87 2dex s THR 198 N -2.27 0.05 -0.11 1.30 -1.32 -0.05 -4.40 115.64 108.85 2dex s THR 198 Ca 0.03 -0.44 -0.04 0.00 -1.21 0.00 0.00 61.69 60.03 2dex s THR 198 Cb -0.04 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.71 2dex s THR 198 CO -0.00 -0.24 0.03 -0.76 -2.21 0.00 0.00 174.62 171.43 2dex s LEU 199 N -0.74 3.70 -0.04 9.08 1.43 -1.26 0.45 118.68 131.31 2dex s LEU 199 Ca -0.08 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 2dex s LEU 199 Cb -0.05 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2dex s LEU 199 CO -0.00 0.33 -0.18 0.54 0.23 0.00 0.00 176.35 177.27 2dex s VAL 200 N -0.60 1.46 -0.10 -1.59 0.11 0.09 -1.02 120.40 118.75 2dex s VAL 200 Ca 0.10 -0.75 -0.03 0.00 -2.93 0.00 0.00 61.98 58.38 2dex s VAL 200 Cb -0.12 -1.24 -0.03 0.00 -1.53 0.00 0.00 36.38 33.45 2dex s VAL 200 CO 0.02 0.42 0.00 -0.22 -3.33 0.00 0.00 175.10 171.99 2dex s LEU 201 N -0.11 3.56 0.16 2.54 0.20 -0.50 -0.14 118.68 124.39 2dex s LEU 201 Ca -0.01 0.10 -0.16 0.00 0.69 0.00 0.00 54.13 54.76 2dex s LEU 201 Cb -0.10 -1.83 0.03 0.00 -0.43 0.00 0.00 46.19 43.86 2dex s LEU 201 CO 0.01 0.33 0.43 -1.38 -0.29 0.00 0.00 176.35 175.45 2dex s HIS 202 N -0.60 -0.09 0.01 5.38 -3.43 0.48 -0.89 115.29 116.14 2dex s HIS 202 Ca 0.10 -0.24 0.01 0.00 -0.80 0.00 0.00 55.06 54.13 2dex s HIS 202 Cb -0.12 0.27 -0.01 0.00 -1.43 0.00 0.00 32.58 31.29 2dex s HIS 202 CO 0.02 -0.78 -0.04 0.08 -2.00 0.00 0.00 174.74 172.02 2dex s VAL 203 N -3.85 0.30 0.49 -5.38 1.01 0.56 -1.11 120.40 112.42 2dex s VAL 203 Ca 0.07 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 2dex s VAL 203 Cb 0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 36.38 36.01 2dex s VAL 203 CO -0.07 -0.08 1.28 0.00 0.00 0.00 0.00 175.10 176.22 2dex n ALA 204 N 2.53 1.32 0.20 5.51 0.00 -1.26 -4.68 120.51 124.13 2dex n ALA 204 Ca -0.16 0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.55 2dex n ALA 204 Cb 0.58 -2.29 0.62 0.00 0.00 0.00 0.00 19.45 18.36 2dex n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dex h ARG 205 N 1.69 0.07 0.00 0.00 3.08 -2.00 -0.63 114.38 116.59 2dex h ARG 205 Ca -0.49 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 2dex h ARG 205 Cb 1.30 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 2dex h ARG 205 CO 0.58 0.04 -0.03 0.66 -1.07 0.00 0.00 179.97 180.16 2dex h SER 206 N 0.07 0.00 -0.00 7.04 4.64 -2.03 -3.15 113.55 120.11 2dex h SER 206 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2dex h SER 206 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2dex h SER 206 CO -0.01 0.03 -0.29 -0.62 -0.87 0.00 0.00 176.83 175.07 2dex n GLU 207 N -3.21 4.17 0.30 4.77 1.02 -0.35 -4.71 120.64 122.63 2dex n GLU 207 Ca -0.01 -0.11 0.17 0.00 -0.02 0.00 0.00 57.16 57.19 2dex n GLU 207 Cb 0.20 -0.87 0.96 0.00 -0.02 0.00 0.00 31.44 31.72 2dex n GLU 207 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dex h MET 208 N 0.18 0.00 -0.00 3.49 -0.00 -1.23 -1.37 114.93 116.00 2dex h MET 208 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2dex h MET 208 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 2dex h MET 208 CO 0.00 0.03 -0.00 -0.40 -0.00 0.00 0.00 176.91 176.53 2dex n ASP 209 N -3.50 0.02 -0.27 -0.10 5.75 -1.26 -1.79 116.55 115.40 2dex n ASP 209 Ca -0.02 -0.37 0.04 0.00 -0.01 0.00 0.00 54.79 54.42 2dex n ASP 209 Cb 0.13 -0.21 0.02 0.00 -1.03 0.00 0.00 41.12 40.03 2dex n ASP 209 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2dex n LYS 210 N -1.20 0.82 -3.94 0.11 5.02 -0.52 -4.83 118.16 113.62 2dex n LYS 210 Ca 0.17 -0.83 -0.09 0.00 -2.02 0.00 0.00 58.31 55.54 2dex n LYS 210 Cb 0.21 -1.10 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 2dex n LYS 210 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2dex s VAL 211 N -0.82 0.13 -0.01 -0.18 0.11 -1.24 -0.50 120.40 117.89 2dex s VAL 211 Ca 0.08 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 2dex s VAL 211 Cb 0.06 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 2dex s VAL 211 CO 0.13 -0.61 -0.00 -0.60 -3.33 0.00 0.00 175.10 170.69 2dex s ARG 212 N -2.54 0.13 -0.09 1.54 3.52 -0.55 -3.93 118.95 117.03 2dex s ARG 212 Ca -0.06 0.03 0.04 0.00 -0.13 0.00 0.00 55.73 55.62 2dex s ARG 212 Cb -0.02 -0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.13 2dex s ARG 212 CO -0.04 -0.05 -0.23 0.08 -0.81 0.00 0.00 175.30 174.24 2dex s VAL 213 N 0.48 1.97 -0.02 7.11 1.01 0.80 -1.41 120.40 130.32 2dex s VAL 213 Ca -0.04 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.00 2dex s VAL 213 Cb -0.07 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2dex s VAL 213 CO -0.01 0.54 -0.14 -0.36 0.00 0.00 0.00 175.10 175.13 2dex s PHE 214 N 0.24 2.71 -0.17 5.22 0.40 0.78 -0.85 117.98 126.31 2dex s PHE 214 Ca -0.15 -0.15 -0.13 0.00 -0.60 0.00 0.00 56.93 55.90 2dex s PHE 214 Cb -0.17 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 2dex s PHE 214 CO 0.07 0.23 0.27 -1.14 0.70 0.00 0.00 175.22 175.36 2dex s GLN 215 N -0.98 4.25 0.08 0.44 0.74 -0.38 -0.39 119.66 123.41 2dex s GLN 215 Ca 0.13 0.05 0.02 0.00 0.05 0.00 0.00 55.36 55.61 2dex s GLN 215 Cb -0.11 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 2dex s GLN 215 CO 0.03 0.23 0.12 0.00 -0.55 0.00 0.00 175.29 175.12 2dex s ALA 216 N 0.50 3.71 -0.02 1.58 0.00 -0.48 -2.68 121.76 124.37 2dex s ALA 216 Ca 0.15 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 2dex s ALA 216 Cb -0.13 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 2dex s ALA 216 CO 0.03 0.76 -0.02 2.41 0.00 0.00 0.00 175.76 178.95 2dex n THR 217 N 0.36 0.09 -4.29 0.00 -1.04 -1.26 -4.37 114.28 103.77 2dex n THR 217 Ca -0.07 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 61.71 2dex n THR 217 Cb 0.52 -0.88 -0.15 0.00 -1.82 0.00 0.00 70.33 68.00 2dex n THR 217 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dex s SER 226 N 0.26 0.62 0.24 0.00 1.04 -1.09 -4.70 113.70 110.07 2dex s SER 226 Ca -0.04 -0.18 -0.31 0.00 0.48 0.00 0.00 55.95 55.90 2dex s SER 226 Cb -0.08 -0.04 -0.13 0.00 0.10 0.00 0.00 66.02 65.87 2dex s SER 226 CO 0.00 0.00 1.52 1.33 0.98 0.00 0.00 173.24 177.07 2dex n VAL 227 N 2.66 0.75 -0.05 5.02 0.24 -1.26 -1.25 118.33 124.44 2dex n VAL 227 Ca -0.15 -0.19 -0.07 0.00 -2.04 0.00 0.00 64.34 61.90 2dex n VAL 227 Cb 0.58 -1.67 -0.05 0.00 -1.47 0.00 0.00 33.84 31.22 2dex n VAL 227 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2dex n VAL 228 N 2.37 0.59 -4.18 3.34 0.24 -0.03 -4.86 118.33 115.81 2dex n VAL 228 Ca 0.12 -0.25 -0.17 0.00 -2.04 0.00 0.00 64.34 62.00 2dex n VAL 228 Cb 0.33 -0.85 -0.12 0.00 -1.47 0.00 0.00 33.84 31.72 2dex n VAL 228 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2dex s LEU 229 N -5.42 2.24 0.00 1.34 1.43 -1.00 -4.56 118.68 112.70 2dex s LEU 229 Ca -0.12 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2dex s LEU 229 Cb 0.03 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.83 2dex s LEU 229 CO 0.26 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.37 2dex n GLY 230 N 1.54 -1.39 0.39 -3.19 0.00 -0.15 -0.14 105.19 102.25 2dex n GLY 230 Ca -0.21 -1.00 0.29 0.00 0.00 0.00 0.00 46.02 45.10 2dex n GLY 230 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dex h PRO 231 N 0.00 0.21 -0.22 1.61 0.11 -1.47 -0.11 132.00 132.13 2dex h PRO 231 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2dex h PRO 231 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2dex h PRO 231 CO 0.00 0.14 0.00 1.17 -0.21 0.00 0.00 178.00 179.10 2dex n LYS 232 N -4.89 1.98 -3.78 1.05 0.00 -1.26 -4.59 118.16 106.68 2dex n LYS 232 Ca 0.33 -1.72 -0.30 0.00 0.00 0.00 0.00 58.31 56.62 2dex n LYS 232 Cb 1.16 -1.26 -0.13 0.00 0.00 0.00 0.00 35.03 34.80 2dex n LYS 232 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2dex s TRP 233 N -0.98 2.33 -0.88 5.64 0.52 -0.05 -4.97 118.94 120.54 2dex s TRP 233 Ca 0.20 -2.60 0.28 0.00 0.02 0.00 0.00 56.10 53.99 2dex s TRP 233 Cb 0.11 -2.15 1.03 0.00 -1.15 0.00 0.00 33.47 31.31 2dex s TRP 233 CO 0.16 -0.78 1.85 -0.35 0.02 0.00 0.00 176.95 177.84 2dex n PRO 234 N 3.52 0.12 -3.69 4.98 -0.04 -1.26 -0.97 135.00 137.66 2dex n PRO 234 Ca 0.07 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 2dex n PRO 234 Cb 0.34 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 2dex n PRO 234 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dex s SER 235 N -3.71 -0.25 -0.22 3.54 1.04 -1.26 -0.32 113.70 112.51 2dex s SER 235 Ca 0.12 0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.44 2dex s SER 235 Cb 0.16 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.74 2dex s SER 235 CO 0.56 -0.61 0.54 -2.28 0.98 0.00 0.00 173.24 172.44 2dex s HIS 236 N -2.20 -0.79 -0.08 5.02 2.46 -0.07 -4.96 115.29 114.67 2dex s HIS 236 Ca -0.07 1.66 -0.30 0.00 0.47 0.00 0.00 55.06 56.82 2dex s HIS 236 Cb -0.02 0.41 -0.02 0.00 -0.13 0.00 0.00 32.58 32.82 2dex s HIS 236 CO -0.01 -0.41 1.10 0.71 -2.47 0.00 0.00 174.74 173.66 2dex s TYR 237 N 1.33 3.36 0.19 3.88 4.12 -1.26 -1.40 117.35 127.56 2dex s TYR 237 Ca -0.08 1.42 -0.20 0.00 0.02 0.00 0.00 57.07 58.23 2dex s TYR 237 Cb -0.06 -3.30 -0.08 0.00 -1.52 0.00 0.00 41.96 37.00 2dex s TYR 237 CO -0.14 -0.73 0.70 -0.51 0.02 0.00 0.00 175.55 174.89 2dex s LEU 238 N 2.11 4.40 -0.45 -1.29 1.43 -0.19 -4.98 118.68 119.72 2dex s LEU 238 Ca 0.52 1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 54.88 2dex s LEU 238 Cb -0.21 -3.43 0.06 0.00 0.03 0.00 0.00 46.19 42.64 2dex s LEU 238 CO 0.20 0.10 0.35 -0.04 0.23 0.00 0.00 176.35 177.18 2dex s MET 239 N -1.74 2.92 -0.06 1.70 -1.94 -1.26 -4.54 119.30 114.37 2dex s MET 239 Ca 0.40 -1.28 0.02 0.00 -1.71 0.00 0.00 55.69 53.11 2dex s MET 239 Cb -0.18 -4.03 0.02 0.00 2.01 0.00 0.00 34.83 32.65 2dex s MET 239 CO 0.21 -0.94 -0.08 0.08 -0.01 0.00 0.00 175.02 174.28 2dex s VAL 240 N 1.62 0.85 0.34 -6.03 1.01 -1.26 -5.14 120.40 111.79 2dex s VAL 240 Ca 0.04 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 2dex s VAL 240 Cb -0.23 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.24 2dex s VAL 240 CO 0.07 0.30 0.78 -2.16 0.00 0.00 0.00 175.10 174.08 2dex s PRO 241 N 0.84 4.06 1.18 2.72 0.04 -1.26 -4.84 135.00 137.73 2dex s PRO 241 Ca -0.12 0.77 -0.17 0.00 0.04 0.00 0.00 61.00 61.52 2dex s PRO 241 Cb -0.15 -2.41 0.27 0.00 0.04 0.00 0.00 34.50 32.26 2dex s PRO 241 CO 0.01 0.13 1.06 0.20 0.04 0.00 0.00 177.00 178.45 2dex s GLY 242 N -2.22 1.54 0.00 0.56 0.00 -1.25 -4.70 107.32 101.25 2dex s GLY 242 Ca 0.55 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.63 2dex s GLY 242 CO 0.17 0.16 0.00 0.61 0.00 0.00 0.00 173.10 174.04 2dex n GLY 243 N -0.38 -0.27 3.74 0.20 0.00 -0.67 -4.76 105.19 103.05 2dex n GLY 243 Ca 0.09 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 2dex n GLY 243 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dex s LYS 244 N 0.00 4.24 -0.06 1.61 0.00 -1.26 -0.96 119.74 123.31 2dex s LYS 244 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 55.97 56.19 2dex s LYS 244 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 37.83 34.46 2dex s LYS 244 CO 0.00 0.28 0.28 -1.58 0.00 0.00 0.00 175.35 174.33 2dex s HIS 245 N 0.27 -0.22 -0.08 1.78 2.46 -0.07 -5.01 115.29 114.42 2dex s HIS 245 Ca 0.23 0.46 0.01 0.00 0.47 0.00 0.00 55.06 56.23 2dex s HIS 245 Cb -0.15 0.09 0.02 0.00 -0.13 0.00 0.00 32.58 32.40 2dex s HIS 245 CO 0.09 -0.27 -0.11 -0.80 -2.47 0.00 0.00 174.74 171.18 2dex s ASN 246 N -0.67 1.91 -0.18 9.88 0.02 -1.26 -1.45 114.94 123.20 2dex s ASN 246 Ca -0.08 -0.31 0.01 0.00 -1.02 0.00 0.00 52.86 51.47 2dex s ASN 246 Cb -0.04 -0.84 0.03 0.00 0.02 0.00 0.00 41.25 40.42 2dex s ASN 246 CO 0.02 -0.01 -0.13 -0.32 0.02 0.00 0.00 177.10 176.68 2dex s MET 247 N 0.99 2.24 0.00 -0.60 -2.45 -0.58 -4.98 119.30 113.93 2dex s MET 247 Ca -0.08 -0.73 -0.16 0.00 -1.25 0.00 0.00 55.69 53.46 2dex s MET 247 Cb -0.15 -2.31 -0.06 0.00 1.25 0.00 0.00 34.83 33.57 2dex s MET 247 CO -0.00 -0.33 0.45 -0.51 1.05 0.00 0.00 175.02 175.68 2dex s ASP 248 N 1.42 6.85 0.17 1.11 -0.00 -1.26 -0.59 116.67 124.37 2dex s ASP 248 Ca 0.02 1.01 0.10 0.00 -0.00 0.00 0.00 52.55 53.68 2dex s ASP 248 Cb -0.15 -2.28 -0.04 0.00 -0.00 0.00 0.00 42.92 40.45 2dex s ASP 248 CO -0.10 0.27 -0.23 -0.36 -0.00 0.00 0.00 175.17 174.76 2dex s PHE 249 N -0.85 2.13 -0.06 4.23 0.40 0.20 -1.39 117.98 122.64 2dex s PHE 249 Ca 0.25 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.23 2dex s PHE 249 Cb -0.17 -1.07 -0.00 0.00 0.51 0.00 0.00 43.02 42.28 2dex s PHE 249 CO 0.14 0.41 -0.20 0.71 0.70 0.00 0.00 175.22 176.98 2dex s TYR 250 N -1.65 2.03 -0.06 0.36 1.51 0.48 -1.09 117.35 118.93 2dex s TYR 250 Ca 0.17 -0.64 0.05 0.00 -1.01 0.00 0.00 57.07 55.64 2dex s TYR 250 Cb -0.08 -1.36 -0.00 0.00 -0.11 0.00 0.00 41.96 40.41 2dex s TYR 250 CO 0.08 -0.23 -0.21 0.08 -1.11 0.00 0.00 175.55 174.16 2dex s VAL 251 N 0.08 1.79 0.01 0.71 1.01 -0.26 -0.15 120.40 123.58 2dex s VAL 251 Ca -0.07 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.08 2dex s VAL 251 Cb -0.13 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2dex s VAL 251 CO 0.04 0.50 -0.21 -1.83 0.00 0.00 0.00 175.10 173.60 2dex s GLU 252 N 0.08 1.63 0.23 2.72 -1.05 -0.50 -0.45 118.70 121.36 2dex s GLU 252 Ca -0.08 -0.84 -0.06 0.00 -0.15 0.00 0.00 54.97 53.84 2dex s GLU 252 Cb -0.14 -1.64 -0.06 0.00 -0.44 0.00 0.00 34.13 31.85 2dex s GLU 252 CO 0.04 0.44 0.50 0.00 0.95 0.00 0.00 175.26 177.19 2dex s ALA 253 N -0.61 3.65 -0.47 -0.84 0.00 -0.69 -1.48 121.76 121.33 2dex s ALA 253 Ca 0.08 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.63 2dex s ALA 253 Cb -0.08 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2dex s ALA 253 CO 0.00 0.45 0.44 1.28 0.00 0.00 0.00 175.76 177.94 2dex n LEU 254 N -0.38 0.84 -3.70 0.00 4.77 0.34 -1.33 117.00 117.53 2dex n LEU 254 Ca -0.01 -0.74 -0.14 0.00 -0.03 0.00 0.00 56.01 55.09 2dex n LEU 254 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2dex n LEU 254 CO 0.47 0.18 0.14 0.00 -1.33 0.00 0.00 177.39 176.85 2dex s ALA 255 N -1.00 -1.11 0.54 -1.18 0.00 -1.25 -4.97 121.76 112.79 2dex s ALA 255 Ca 0.04 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 2dex s ALA 255 Cb 0.04 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 2dex s ALA 255 CO 0.14 -0.25 1.01 -0.06 0.00 0.00 0.00 175.76 176.61 2dex s PHE 256 N -0.44 3.26 0.38 0.00 0.40 -1.26 -4.89 117.98 115.43 2dex s PHE 256 Ca -0.06 1.49 -0.26 0.00 -0.60 0.00 0.00 56.93 57.50 2dex s PHE 256 Cb -0.03 -2.88 -0.12 0.00 0.51 0.00 0.00 43.02 40.50 2dex s PHE 256 CO 0.03 -0.66 1.06 -2.30 0.70 0.00 0.00 175.22 174.05 2dex n PRO 257 N -1.72 1.50 -3.85 0.24 -0.02 -1.26 -4.90 135.00 124.98 2dex n PRO 257 Ca 0.07 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 2dex n PRO 257 Cb 0.54 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 31.97 2dex n PRO 257 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2dex s ASP 258 N -0.62 0.21 0.31 2.55 -1.08 0.36 -4.56 116.67 113.84 2dex s ASP 258 Ca 0.61 -1.25 0.06 0.00 -0.52 0.00 0.00 52.55 51.44 2dex s ASP 258 Cb -0.59 0.83 0.84 0.00 -1.46 0.00 0.00 42.92 42.55 2dex s ASP 258 CO 0.58 -1.65 1.63 0.74 0.52 0.00 0.00 175.17 176.99 2dex h THR 259 N 2.01 0.22 -0.39 1.71 2.02 -1.94 0.12 112.91 116.66 2dex h THR 259 Ca -0.32 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2dex h THR 259 Cb 1.25 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2dex h THR 259 CO 0.41 0.03 0.00 -0.90 0.37 0.00 0.00 175.52 175.43 2dex n ASP 260 N -5.26 2.60 -3.21 4.18 5.75 -1.26 -4.77 116.55 114.58 2dex n ASP 260 Ca 0.25 -1.92 -0.01 0.00 -0.01 0.00 0.00 54.79 53.09 2dex n ASP 260 Cb 0.81 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 40.62 2dex n ASP 260 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2dex s PHE 261 N -1.48 -1.52 0.64 2.11 5.36 0.03 -5.02 117.98 118.10 2dex s PHE 261 Ca 0.35 0.71 0.34 0.00 -0.96 0.00 0.00 56.93 57.36 2dex s PHE 261 Cb 0.19 0.13 1.88 0.00 -0.34 0.00 0.00 43.02 44.88 2dex s PHE 261 CO 0.26 -1.06 2.12 -1.35 -1.46 0.00 0.00 175.22 173.73 2dex h PRO 262 N 7.96 0.00 0.00 10.12 0.11 -1.86 0.10 132.00 148.43 2dex h PRO 262 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2dex h PRO 262 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2dex h PRO 262 CO 0.19 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.39 2dex n GLY 263 N -1.25 1.25 3.64 -0.55 0.00 -1.26 -4.86 105.19 102.16 2dex n GLY 263 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2dex n GLY 263 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dex s LEU 264 N 0.00 3.46 -0.08 0.99 1.43 -1.26 0.05 118.68 123.27 2dex s LEU 264 Ca 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2dex s LEU 264 Cb 0.00 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.45 2dex s LEU 264 CO 0.00 0.35 -0.07 -0.63 0.23 0.00 0.00 176.35 176.22 2dex s ILE 265 N -0.69 0.88 -0.18 -0.59 -1.09 0.20 -4.99 121.20 114.74 2dex s ILE 265 Ca 0.11 -0.26 -0.04 0.00 -2.23 0.00 0.00 60.65 58.23 2dex s ILE 265 Cb -0.12 -0.89 -0.03 0.00 -1.58 0.00 0.00 42.46 39.85 2dex s ILE 265 CO 0.02 0.32 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.15 2dex s THR 266 N 1.30 3.92 -0.11 2.92 2.01 -1.26 -0.21 115.64 124.21 2dex s THR 266 Ca -0.04 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2dex s THR 266 Cb -0.14 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 2dex s THR 266 CO -0.03 0.46 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.49 2dex s LEU 267 N 0.71 2.85 -0.03 4.42 1.43 -0.31 -4.47 118.68 123.28 2dex s LEU 267 Ca -0.01 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 2dex s LEU 267 Cb -0.14 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 2dex s LEU 267 CO 0.02 0.22 -0.20 -0.89 0.23 0.00 0.00 176.35 175.73 2dex s THR 268 N 0.04 1.60 -0.16 5.49 2.01 -0.26 -0.84 115.64 123.52 2dex s THR 268 Ca -0.04 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.06 2dex s THR 268 Cb -0.14 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 2dex s THR 268 CO 0.04 0.45 0.05 -0.51 -0.69 0.00 0.00 174.62 173.96 2dex s ILE 269 N -0.28 4.65 -0.07 1.82 1.10 0.24 -0.39 121.20 128.28 2dex s ILE 269 Ca 0.03 -0.09 0.05 0.00 -0.51 0.00 0.00 60.65 60.13 2dex s ILE 269 Cb -0.10 -3.07 -0.00 0.00 0.15 0.00 0.00 42.46 39.44 2dex s ILE 269 CO 0.01 0.49 -0.22 -0.44 -2.11 0.00 0.00 174.94 172.66 2dex s SER 270 N 0.16 2.83 -0.23 4.50 0.01 0.80 -1.34 113.70 120.43 2dex s SER 270 Ca 0.04 -0.49 -0.14 0.00 1.31 0.00 0.00 55.95 56.67 2dex s SER 270 Cb -0.12 -0.99 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 2dex s SER 270 CO 0.01 0.19 0.34 -0.22 0.41 0.00 0.00 173.24 173.97 2dex s LEU 271 N 0.09 4.11 -0.10 2.44 2.96 0.52 -0.73 118.68 127.97 2dex s LEU 271 Ca -0.09 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2dex s LEU 271 Cb -0.15 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 2dex s LEU 271 CO 0.05 -0.08 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.12 2dex s LEU 272 N 1.51 2.84 -0.38 -0.68 1.43 0.17 -0.19 118.68 123.39 2dex s LEU 272 Ca 0.15 -0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 52.80 2dex s LEU 272 Cb -0.15 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2dex s LEU 272 CO 0.08 0.25 0.81 -0.62 0.23 0.00 0.00 176.35 177.10 2dex s ASP 273 N -0.16 6.55 -0.27 2.29 3.68 0.28 -0.87 116.67 128.17 2dex s ASP 273 Ca 0.00 0.34 0.09 0.00 2.13 0.00 0.00 52.55 55.11 2dex s ASP 273 Cb -0.13 -2.41 0.48 0.00 -1.45 0.00 0.00 42.92 39.41 2dex s ASP 273 CO 0.03 -0.78 1.38 0.35 0.13 0.00 0.00 175.17 176.29 2dex n THR 274 N 5.87 2.45 0.28 1.71 -2.24 0.70 -2.37 114.28 120.68 2dex n THR 274 Ca 0.04 -2.99 0.17 0.00 -2.27 0.00 0.00 64.05 59.00 2dex n THR 274 Cb 0.48 -0.33 0.79 0.00 -2.10 0.00 0.00 70.33 69.18 2dex n THR 274 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2dex h SER 275 N 1.05 0.00 -3.51 3.42 0.02 -1.85 -3.42 113.55 109.26 2dex h SER 275 Ca 0.16 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.44 2dex h SER 275 Cb 1.42 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.65 2dex h SER 275 CO 0.28 0.04 -0.74 0.20 -1.14 0.00 0.00 176.83 175.47 2dex s ASN 276 N -5.68 4.35 0.48 3.07 0.01 -1.26 -4.97 114.94 110.93 2dex s ASN 276 Ca -0.01 -0.84 0.30 0.00 -0.71 0.00 0.00 52.86 51.60 2dex s ASN 276 Cb 0.11 -1.68 1.03 0.00 0.41 0.00 0.00 41.25 41.12 2dex s ASN 276 CO 0.53 -0.13 1.85 -0.07 -1.51 0.00 0.00 177.10 177.77 2dex h LEU 277 N 8.03 0.00 -3.51 0.60 -0.00 -1.99 -2.89 115.31 115.55 2dex h LEU 277 Ca -0.33 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.46 2dex h LEU 277 Cb 1.11 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.72 2dex h LEU 277 CO 0.58 0.00 0.08 -0.62 -0.00 0.00 0.00 178.44 178.48 2dex n GLU 278 N -2.97 3.65 -3.84 1.13 -0.58 -1.26 -4.96 120.64 111.81 2dex n GLU 278 Ca 0.02 -3.05 -0.12 0.00 -0.42 0.00 0.00 57.16 53.59 2dex n GLU 278 Cb 0.36 -2.08 -0.10 0.00 -0.57 0.00 0.00 31.44 29.05 2dex n GLU 278 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2dex s LEU 279 N -2.91 1.34 0.97 -4.62 1.43 -1.09 -5.16 118.68 108.64 2dex s LEU 279 Ca 0.50 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 2dex s LEU 279 Cb 0.40 0.83 0.16 0.00 0.03 0.00 0.00 46.19 47.61 2dex s LEU 279 CO 0.12 -0.35 1.04 -2.65 0.23 0.00 0.00 176.35 174.73 2dex n PRO 280 N 1.59 -0.80 -1.97 1.29 -0.02 -1.26 -4.76 135.00 129.08 2dex n PRO 280 Ca -0.21 -0.17 -0.38 0.00 -2.02 0.00 0.00 63.50 60.72 2dex n PRO 280 Cb 0.56 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.78 2dex n PRO 280 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2dex s GLU 281 N -4.48 3.37 -0.11 -0.52 -1.05 -1.26 -4.95 118.70 109.69 2dex s GLU 281 Ca 0.66 2.05 0.03 0.00 -0.15 0.00 0.00 54.97 57.56 2dex s GLU 281 Cb -0.23 -2.30 0.01 0.00 -0.44 0.00 0.00 34.13 31.16 2dex s GLU 281 CO 0.60 -0.95 -0.20 0.00 0.95 0.00 0.00 175.26 175.66 2dex s ALA 282 N -1.40 1.98 0.10 -0.84 0.00 -1.00 -4.94 121.76 115.65 2dex s ALA 282 Ca 0.69 -0.89 -0.31 0.00 0.00 0.00 0.00 51.96 51.45 2dex s ALA 282 Cb -0.36 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 21.85 2dex s ALA 282 CO 0.42 0.10 1.37 0.08 0.00 0.00 0.00 175.76 177.73 2dex s VAL 283 N 0.65 3.43 -0.19 0.00 1.01 -1.26 -0.56 120.40 123.48 2dex s VAL 283 Ca -0.12 1.01 0.10 0.00 0.00 0.00 0.00 61.98 62.96 2dex s VAL 283 Cb -0.16 -3.65 -0.19 0.00 0.00 0.00 0.00 36.38 32.38 2dex s VAL 283 CO 0.03 0.07 -0.04 0.52 0.00 0.00 0.00 175.10 175.68 2dex n VAL 284 N 4.03 1.22 -3.63 2.92 0.31 0.73 -4.90 118.33 119.01 2dex n VAL 284 Ca 0.11 -0.64 -0.14 0.00 -0.01 0.00 0.00 64.34 63.67 2dex n VAL 284 Cb 0.43 -0.83 -0.07 0.00 -0.91 0.00 0.00 33.84 32.46 2dex n VAL 284 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2dex s PHE 285 N -2.43 -0.79 0.03 3.52 2.19 -1.19 -4.99 117.98 114.33 2dex s PHE 285 Ca -0.17 1.92 0.04 0.00 0.33 0.00 0.00 56.93 59.06 2dex s PHE 285 Cb 0.06 0.27 -0.02 0.00 -1.31 0.00 0.00 43.02 42.02 2dex s PHE 285 CO 0.63 -0.38 -0.12 -0.65 1.83 0.00 0.00 175.22 176.53 2dex s GLN 286 N 0.37 0.81 0.04 10.12 -0.21 -1.26 -0.36 119.66 129.17 2dex s GLN 286 Ca -0.00 -0.69 -0.04 0.00 0.02 0.00 0.00 55.36 54.65 2dex s GLN 286 Cb -0.05 -0.77 -0.02 0.00 1.00 0.00 0.00 33.01 33.17 2dex s GLN 286 CO 0.01 0.19 0.05 0.34 -2.12 0.00 0.00 175.29 173.76 2dex s ASP 287 N -1.09 0.26 0.07 5.90 2.15 -0.45 -5.01 116.67 118.49 2dex s ASP 287 Ca -0.00 -0.64 0.01 0.00 0.43 0.00 0.00 52.55 52.34 2dex s ASP 287 Cb -0.08 0.21 -0.04 0.00 -0.30 0.00 0.00 42.92 42.72 2dex s ASP 287 CO 0.01 -0.51 -0.05 -0.44 -0.17 0.00 0.00 175.17 174.01 2dex s SER 288 N -2.25 0.81 -0.05 -0.34 0.01 -1.26 -0.59 113.70 110.02 2dex s SER 288 Ca -0.03 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.39 2dex s SER 288 Cb -0.00 0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.35 2dex s SER 288 CO -0.06 -0.45 -0.18 0.68 0.41 0.00 0.00 173.24 173.64 2dex s VAL 289 N -3.16 1.53 -0.21 3.43 -7.23 -0.02 -4.93 120.40 109.82 2dex s VAL 289 Ca 0.04 -0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.39 2dex s VAL 289 Cb 0.02 -1.32 -0.02 0.00 0.56 0.00 0.00 36.38 35.62 2dex s VAL 289 CO -0.05 0.44 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.49 2dex s VAL 290 N 0.05 3.90 0.01 1.32 1.01 -1.26 -1.16 120.40 124.27 2dex s VAL 290 Ca -0.05 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2dex s VAL 290 Cb -0.12 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2dex s VAL 290 CO 0.03 0.42 0.05 -0.36 0.00 0.00 0.00 175.10 175.24 2dex s PHE 291 N 1.11 3.19 -0.14 5.22 0.40 0.70 -3.35 117.98 125.12 2dex s PHE 291 Ca 0.02 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.46 2dex s PHE 291 Cb -0.14 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 2dex s PHE 291 CO 0.01 0.52 0.00 0.50 0.70 0.00 0.00 175.22 176.95 2dex s ARG 292 N -1.74 3.51 -0.01 0.44 3.52 -0.17 -0.63 118.95 123.86 2dex s ARG 292 Ca 0.22 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.09 2dex s ARG 292 Cb -0.12 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 2dex s ARG 292 CO 0.13 0.42 1.12 0.08 -0.81 0.00 0.00 175.30 176.24 2dex s VAL 293 N -0.09 4.42 0.21 7.11 1.01 0.11 -0.90 120.40 132.27 2dex s VAL 293 Ca 0.04 1.73 -0.30 0.00 0.00 0.00 0.00 61.98 63.45 2dex s VAL 293 Cb -0.13 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 2dex s VAL 293 CO 0.02 0.07 1.38 0.00 0.00 0.00 0.00 175.10 176.57 2dex s ALA 294 N 1.54 3.58 0.72 5.51 0.00 0.13 -4.74 121.76 128.51 2dex s ALA 294 Ca 0.55 1.21 -0.11 0.00 0.00 0.00 0.00 51.96 53.60 2dex s ALA 294 Cb -0.24 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.38 2dex s ALA 294 CO 0.25 -0.63 1.07 -1.25 0.00 0.00 0.00 175.76 175.20 2dex s PRO 295 N -0.06 2.69 -0.01 0.00 0.04 -1.26 -4.71 135.00 131.68 2dex s PRO 295 Ca 0.59 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 2dex s PRO 295 Cb -0.39 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 2dex s PRO 295 CO 0.39 -1.26 0.94 -0.46 0.04 0.00 0.00 177.00 176.66 2dex s TRP 296 N -3.07 3.65 -0.04 0.56 -0.00 -1.26 -4.57 118.94 114.22 2dex s TRP 296 Ca 0.59 1.64 0.05 0.00 -0.00 0.00 0.00 56.10 58.37 2dex s TRP 296 Cb -0.14 -3.08 -0.01 0.00 -0.00 0.00 0.00 33.47 30.24 2dex s TRP 296 CO 0.55 0.00 -0.18 0.42 -0.00 0.00 0.00 176.95 177.74 2dex s ILE 297 N 0.99 1.49 0.33 5.86 1.01 -0.55 -4.89 121.20 125.44 2dex s ILE 297 Ca 0.50 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.44 2dex s ILE 297 Cb -0.21 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 2dex s ILE 297 CO 0.27 0.43 0.48 -0.04 0.00 0.00 0.00 174.94 176.07 2dex s MET 298 N -0.05 3.23 -0.15 2.79 -1.94 -1.26 -0.33 119.30 121.58 2dex s MET 298 Ca -0.02 -0.80 0.01 0.00 -1.71 0.00 0.00 55.69 53.17 2dex s MET 298 Cb -0.11 -2.79 0.02 0.00 2.01 0.00 0.00 34.83 33.96 2dex s MET 298 CO 0.02 0.12 -0.17 0.95 -0.01 0.00 0.00 175.02 175.93 2dex s THR 299 N -2.19 1.76 1.07 2.05 -4.23 -1.26 -4.94 115.64 107.90 2dex s THR 299 Ca 0.42 -0.76 -0.13 0.00 -1.18 0.00 0.00 61.69 60.04 2dex s THR 299 Cb -0.09 -1.62 0.23 0.00 1.34 0.00 0.00 72.50 72.36 2dex s THR 299 CO 0.32 0.49 1.07 -2.16 -0.54 0.00 0.00 174.62 173.80 2dex s PRO 300 N 1.33 -0.17 0.44 3.99 0.04 -1.26 -4.88 135.00 134.48 2dex s PRO 300 Ca 0.03 0.61 0.30 0.00 0.04 0.00 0.00 61.00 61.98 2dex s PRO 300 Cb -0.13 -1.66 1.51 0.00 0.04 0.00 0.00 34.50 34.26 2dex s PRO 300 CO -0.10 -3.16 1.92 -0.91 0.04 0.00 0.00 177.00 174.78 2dex h ASN 301 N -2.21 0.00 0.71 6.66 2.35 -1.85 -1.82 115.58 119.43 2dex h ASN 301 Ca -0.58 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 2dex h ASN 301 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 2dex h ASN 301 CO 0.55 0.00 -0.06 0.35 -1.65 0.00 0.00 177.43 176.63 2dex n THR 302 N -2.60 0.00 -2.96 2.81 -2.24 -1.26 -4.68 114.28 103.34 2dex n THR 302 Ca -0.01 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 2dex n THR 302 Cb 0.12 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 2dex n THR 302 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2dex s GLN 303 N -2.77 4.53 0.30 -0.78 -1.52 -0.69 -4.95 119.66 113.79 2dex s GLN 303 Ca 0.21 1.12 -0.29 0.00 -1.95 0.00 0.00 55.36 54.45 2dex s GLN 303 Cb 0.20 -3.34 -0.11 0.00 -0.22 0.00 0.00 33.01 29.54 2dex s GLN 303 CO 0.51 0.35 1.53 -2.14 -0.25 0.00 0.00 175.29 175.29 2dex s PRO 304 N -0.33 4.16 0.43 2.91 0.02 -1.26 -4.63 135.00 136.29 2dex s PRO 304 Ca 0.38 2.51 -0.22 0.00 0.02 0.00 0.00 61.00 63.69 2dex s PRO 304 Cb -0.21 -3.03 -0.09 0.00 0.02 0.00 0.00 34.50 31.18 2dex s PRO 304 CO 0.24 -0.55 1.02 -1.25 -0.33 0.00 0.00 177.00 176.13 2dex s PRO 305 N -0.88 4.07 0.00 5.54 0.04 -1.26 -0.47 135.00 142.04 2dex s PRO 305 Ca 0.60 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2dex s PRO 305 Cb -0.46 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2dex s PRO 305 CO 0.50 -0.20 0.00 1.04 0.04 0.00 0.00 177.00 178.38 2dex n GLN 306 N -0.46 3.46 -3.66 4.56 6.02 0.97 -4.81 117.38 123.47 2dex n GLN 306 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.95 2dex n GLN 306 Cb 0.51 -0.94 -0.08 0.00 1.02 0.00 0.00 30.24 30.76 2dex n GLN 306 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2dex s GLU 307 N -1.88 0.68 0.00 -1.09 2.12 -1.02 -1.58 118.70 115.94 2dex s GLU 307 Ca 0.00 1.01 0.02 0.00 0.36 0.00 0.00 54.97 56.36 2dex s GLU 307 Cb 0.00 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 2dex s GLU 307 CO 0.00 -0.12 -0.04 0.08 -0.54 0.00 0.00 175.26 174.64 2dex s VAL 308 N 1.01 3.87 -0.03 3.70 1.01 -0.11 -0.81 120.40 129.04 2dex s VAL 308 Ca -0.05 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2dex s VAL 308 Cb -0.05 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2dex s VAL 308 CO -0.09 0.38 -0.21 -0.31 0.00 0.00 0.00 175.10 174.87 2dex s TYR 309 N -1.04 1.96 0.05 5.22 1.51 0.78 -0.63 117.35 125.21 2dex s TYR 309 Ca 0.18 -0.49 -0.17 0.00 -1.01 0.00 0.00 57.07 55.59 2dex s TYR 309 Cb -0.11 -1.29 0.03 0.00 -0.11 0.00 0.00 41.96 40.48 2dex s TYR 309 CO 0.09 -0.12 0.38 0.00 -1.11 0.00 0.00 175.55 174.79 2dex s ALA 310 N -0.24 -0.91 -0.50 3.71 0.00 -0.73 -1.14 121.76 121.95 2dex s ALA 310 Ca 0.01 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.24 2dex s ALA 310 Cb -0.11 0.38 0.25 0.00 0.00 0.00 0.00 23.12 23.64 2dex s ALA 310 CO 0.01 -0.46 0.61 0.00 0.00 0.00 0.00 175.76 175.92 2dex n SER 312 N 1.20 2.71 -4.57 0.00 7.64 -1.25 -4.37 113.62 114.98 2dex n SER 312 Ca 0.25 -1.86 -0.35 0.00 1.01 0.00 0.00 58.87 57.92 2dex n SER 312 Cb 0.48 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 2dex n SER 312 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2dex s ILE 313 N -2.00 3.79 0.00 0.44 -1.09 -1.25 -4.52 121.20 116.59 2dex s ILE 313 Ca 0.25 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 2dex s ILE 313 Cb 0.19 -4.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.27 2dex s ILE 313 CO 0.34 -1.50 0.00 2.22 -1.23 0.00 0.00 174.94 174.77 2dex n PHE 314 N 11.37 -0.01 -0.49 3.97 -0.00 -1.26 -1.43 117.46 129.60 2dex n PHE 314 Ca 0.44 0.00 0.37 0.00 -0.00 0.00 0.00 57.45 58.26 2dex n PHE 314 Cb 0.47 0.00 0.58 0.00 -0.00 0.00 0.00 39.48 40.53 2dex n PHE 314 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 2dex n GLU 315 N 0.00 -0.01 -4.61 3.97 0.28 -1.26 -4.66 120.64 114.35 2dex n GLU 315 Ca 0.00 0.83 -0.24 0.00 -0.16 0.00 0.00 57.16 57.58 2dex n GLU 315 Cb 0.00 -1.84 -0.16 0.00 1.43 0.00 0.00 31.44 30.87 2dex n GLU 315 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2dex s ASN 316 N -4.00 1.78 -0.02 -1.84 0.01 -1.26 -5.04 114.94 104.57 2dex s ASN 316 Ca -0.04 -0.30 0.18 0.00 -0.71 0.00 0.00 52.86 52.00 2dex s ASN 316 Cb 0.20 -0.72 -0.25 0.00 0.41 0.00 0.00 41.25 40.89 2dex s ASN 316 CO 0.65 0.06 0.55 -0.62 -1.51 0.00 0.00 177.10 176.23 2dex n GLU 317 N 3.62 0.75 0.08 -0.60 4.71 -1.26 -4.22 120.64 123.72 2dex n GLU 317 Ca -0.21 -0.10 -0.18 0.00 -0.01 0.00 0.00 57.16 56.66 2dex n GLU 317 Cb 0.52 -1.41 -0.14 0.00 -1.01 0.00 0.00 31.44 29.40 2dex n GLU 317 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2dex h ASP 318 N 0.00 0.45 -0.35 1.62 3.45 -1.96 -1.24 116.42 118.39 2dex h ASP 318 Ca 0.00 -0.58 0.08 0.00 0.43 0.00 0.00 57.03 56.95 2dex h ASP 318 Cb 0.68 -0.15 -0.08 0.00 -0.56 0.00 0.00 39.33 39.22 2dex h ASP 318 CO 0.00 1.48 -0.26 0.15 -1.57 0.00 0.00 179.24 179.04 2dex h PHE 319 N 0.08 -0.70 -0.51 4.55 3.57 -1.78 -2.42 116.94 119.72 2dex h PHE 319 Ca -0.23 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.29 2dex h PHE 319 Cb 2.03 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 41.10 2dex h PHE 319 CO 0.07 -0.34 0.19 1.25 -2.23 0.00 0.00 178.31 177.26 2dex h LEU 320 N -0.22 0.67 -0.53 0.59 6.46 -1.71 -2.11 115.31 118.46 2dex h LEU 320 Ca 0.17 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 2dex h LEU 320 Cb 0.49 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 2dex h LEU 320 CO -0.48 0.62 0.34 0.11 -0.62 0.00 0.00 178.44 178.41 2dex h LYS 321 N 0.73 0.66 -0.12 1.25 1.57 -0.96 -1.47 116.57 118.23 2dex h LYS 321 Ca 0.17 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2dex h LYS 321 Cb 0.16 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2dex h LYS 321 CO -0.01 0.44 0.04 0.77 -0.57 0.00 0.00 179.45 180.12 2dex h SER 322 N 0.68 0.18 -0.39 0.86 0.02 -0.91 -0.06 113.55 113.94 2dex h SER 322 Ca 0.20 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2dex h SER 322 Cb -0.03 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2dex h SER 322 CO -0.07 0.32 -0.03 -0.37 -1.14 0.00 0.00 176.83 175.54 2dex h VAL 323 N 0.03 1.25 -0.86 2.27 -1.51 -1.41 -1.14 116.25 114.88 2dex h VAL 323 Ca 0.04 -1.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.46 2dex h VAL 323 Cb 0.21 0.93 -0.04 0.00 -2.13 0.00 0.00 31.29 30.25 2dex h VAL 323 CO -0.00 0.37 0.55 0.74 -1.23 0.00 0.00 177.57 178.00 2dex h THR 324 N 0.73 1.23 -0.33 7.19 2.02 -1.10 0.67 112.91 123.33 2dex h THR 324 Ca 0.14 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2dex h THR 324 Cb 0.50 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2dex h THR 324 CO 0.03 0.23 0.19 0.74 0.37 0.00 0.00 175.52 177.07 2dex h THR 325 N 1.17 1.12 -0.61 3.16 2.02 -0.47 -2.19 112.91 117.11 2dex h THR 325 Ca 0.31 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2dex h THR 325 Cb -0.10 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2dex h THR 325 CO -0.06 0.13 0.37 -0.07 0.37 0.00 0.00 175.52 176.25 2dex h LEU 326 N 0.41 0.73 -0.44 2.58 3.38 -0.79 -1.11 115.31 120.07 2dex h LEU 326 Ca 0.12 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2dex h LEU 326 Cb 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2dex h LEU 326 CO -0.02 0.57 0.23 0.00 0.09 0.00 0.00 178.44 179.31 2dex h ALA 327 N 1.19 0.56 0.50 1.53 0.00 -0.78 0.47 119.26 122.72 2dex h ALA 327 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2dex h ALA 327 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2dex h ALA 327 CO -0.04 -0.11 -0.40 1.98 0.00 0.00 0.00 179.25 180.68 2dex h MET 328 N 0.47 -0.86 -0.90 0.00 -1.53 -1.10 0.33 114.93 111.33 2dex h MET 328 Ca 0.19 0.06 0.22 0.00 -3.44 0.00 0.00 59.70 56.73 2dex h MET 328 Cb 0.07 0.20 -0.13 0.00 -0.55 0.00 0.00 31.60 31.19 2dex h MET 328 CO -0.12 -0.57 0.39 0.87 0.14 0.00 0.00 176.91 177.62 2dex h LYS 329 N -0.89 0.38 -0.05 0.39 1.57 -1.05 0.40 116.57 117.32 2dex h LYS 329 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2dex h LYS 329 Cb 0.76 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2dex h LYS 329 CO -0.00 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.12 2dex n ALA 330 N -2.50 2.59 -3.30 3.86 0.00 0.14 -4.93 120.51 116.37 2dex n ALA 330 Ca 0.22 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 2dex n ALA 330 Cb 0.67 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.92 2dex n ALA 330 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dex n LYS 331 N -0.39 -6.33 -4.10 0.00 4.01 0.13 -4.91 118.16 106.57 2dex n LYS 331 Ca 0.17 0.82 -0.33 0.00 -0.51 0.00 0.00 58.31 58.46 2dex n LYS 331 Cb 0.18 -5.67 -0.07 0.00 -0.51 0.00 0.00 35.03 28.96 2dex n LYS 331 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dex s LYS 333 N -1.78 2.21 -0.07 0.00 -0.14 -0.61 -4.60 119.74 114.75 2dex s LYS 333 Ca 0.23 1.89 0.00 0.00 -1.36 0.00 0.00 55.97 56.74 2dex s LYS 333 Cb -0.12 -1.83 0.02 0.00 -1.68 0.00 0.00 37.83 34.23 2dex s LYS 333 CO 0.14 -1.82 -0.06 -1.17 -0.76 0.00 0.00 175.35 171.69 2dex s LEU 334 N -4.93 1.21 -0.01 3.17 1.98 -1.26 -0.94 118.68 117.90 2dex s LEU 334 Ca 0.78 -0.19 0.04 0.00 -2.89 0.00 0.00 54.13 51.87 2dex s LEU 334 Cb -0.33 -0.60 -0.01 0.00 0.66 0.00 0.00 46.19 45.92 2dex s LEU 334 CO 0.44 -0.08 -0.14 0.42 -1.89 0.00 0.00 176.35 175.10 2dex s THR 335 N 1.25 1.13 -0.03 3.68 -4.23 0.20 -4.95 115.64 112.68 2dex s THR 335 Ca -0.05 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 2dex s THR 335 Cb -0.14 -0.95 -0.00 0.00 1.34 0.00 0.00 72.50 72.76 2dex s THR 335 CO -0.02 0.29 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.59 2dex s ILE 336 N -0.38 1.10 -0.27 2.99 1.01 -1.24 -1.77 121.20 122.65 2dex s ILE 336 Ca 0.05 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 2dex s ILE 336 Cb -0.06 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 2dex s ILE 336 CO -0.00 0.33 0.14 0.00 0.00 0.00 0.00 174.94 175.40 2dex s PRO 338 N 1.70 3.10 0.40 0.00 0.04 -1.26 -3.74 135.00 135.23 2dex s PRO 338 Ca 0.07 1.00 0.16 0.00 0.04 0.00 0.00 61.00 62.26 2dex s PRO 338 Cb -0.16 -2.01 1.04 0.00 0.04 0.00 0.00 34.50 33.41 2dex s PRO 338 CO 0.08 -0.97 1.83 1.05 0.04 0.00 0.00 177.00 179.03 2dex h GLU 339 N -0.38 0.44 0.00 4.56 4.11 -1.62 0.38 114.58 122.08 2dex h GLU 339 Ca -0.45 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 58.91 2dex h GLU 339 Cb 1.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2dex h GLU 339 CO 0.57 0.29 -0.22 0.93 0.07 0.00 0.00 179.01 180.65 2dex h GLU 340 N 0.46 0.00 0.01 1.06 3.07 -1.92 -2.23 114.58 115.03 2dex h GLU 340 Ca 0.51 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.99 2dex h GLU 340 Cb 1.19 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.04 2dex h GLU 340 CO -0.22 0.22 -2.34 0.39 -1.40 0.00 0.00 179.01 175.66 2dex n GLU 341 N -3.63 0.67 -0.35 2.33 1.02 0.11 -4.49 120.64 116.31 2dex n GLU 341 Ca -0.01 0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 2dex n GLU 341 Cb 0.35 -1.56 0.31 0.00 -0.02 0.00 0.00 31.44 30.53 2dex n GLU 341 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2dex h ASN 342 N 0.01 0.80 -4.73 1.62 2.35 -0.21 -3.43 115.58 111.99 2dex h ASN 342 Ca -0.53 0.08 -0.37 0.00 -0.55 0.00 0.00 56.30 54.93 2dex h ASN 342 Cb 2.04 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 40.33 2dex h ASN 342 CO -0.02 0.33 -0.53 0.23 -1.65 0.00 0.00 177.43 175.78 2dex n MET 343 N -4.71 -3.65 -1.22 0.81 2.81 -0.85 -1.30 117.12 109.01 2dex n MET 343 Ca 0.22 0.67 -0.08 0.00 -1.81 0.00 0.00 57.70 56.71 2dex n MET 343 Cb 0.52 -5.42 -0.03 0.00 -0.71 0.00 0.00 33.22 27.59 2dex n MET 343 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2dex n ASP 344 N -2.28 -4.28 -4.51 7.83 10.43 -1.26 -4.76 116.55 117.73 2dex n ASP 344 Ca -0.08 0.19 -0.43 0.00 2.57 0.00 0.00 54.79 57.03 2dex n ASP 344 Cb 0.59 -2.44 -0.07 0.00 1.84 0.00 0.00 41.12 41.04 2dex n ASP 344 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2dex s ASP 345 N -2.66 6.31 0.00 -2.24 -1.08 -0.42 -4.93 116.67 111.64 2dex s ASP 345 Ca 0.00 -0.43 0.24 0.00 -0.52 0.00 0.00 52.55 51.84 2dex s ASP 345 Cb 0.00 -2.32 0.20 0.00 -1.46 0.00 0.00 42.92 39.34 2dex s ASP 345 CO 0.00 -0.81 1.23 0.00 0.52 0.00 0.00 175.17 176.11 2dex n GLN 346 N 6.28 1.49 -2.82 4.34 10.64 -1.26 -4.67 117.38 131.37 2dex n GLN 346 Ca -0.02 -1.18 -0.44 0.00 -1.83 0.00 0.00 57.00 53.53 2dex n GLN 346 Cb 0.47 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 2dex n GLN 346 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 2dex n TRP 347 N 0.28 4.33 0.26 2.61 7.02 -1.26 -4.51 117.44 126.17 2dex n TRP 347 Ca 0.11 -3.22 0.11 0.00 -1.02 0.00 0.00 57.50 53.48 2dex n TRP 347 Cb 0.48 -2.03 0.72 0.00 -2.42 0.00 0.00 31.31 28.06 2dex n TRP 347 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 2dex h MET 348 N 6.63 0.00 -0.17 -0.99 4.05 -1.70 -2.26 114.93 120.50 2dex h MET 348 Ca 0.32 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.71 2dex h MET 348 Cb 0.79 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 2dex h MET 348 CO 1.33 0.08 -0.05 0.37 0.23 0.00 0.00 176.91 178.87 2dex h GLN 349 N 0.00 0.24 0.03 0.39 5.75 -0.98 -3.37 115.11 117.17 2dex h GLN 349 Ca -0.00 -0.04 -0.31 0.00 -0.15 0.00 0.00 58.65 58.15 2dex h GLN 349 Cb 0.17 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 2dex h GLN 349 CO 0.01 0.31 -1.76 -0.25 -2.65 0.00 0.00 178.83 174.49 2dex n ASP 350 N -4.35 1.14 0.08 -0.69 8.00 -0.85 -3.59 116.55 116.29 2dex n ASP 350 Ca -0.00 0.38 0.13 0.00 0.71 0.00 0.00 54.79 56.00 2dex n ASP 350 Cb 0.21 -0.24 0.32 0.00 -0.02 0.00 0.00 41.12 41.38 2dex n ASP 350 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2dex n GLU 351 N -3.14 0.26 -3.74 -1.24 4.07 -1.25 0.36 120.64 115.97 2dex n GLU 351 Ca -0.20 0.16 -0.10 0.00 -0.06 0.00 0.00 57.16 56.96 2dex n GLU 351 Cb 1.05 -1.75 -0.05 0.00 -0.06 0.00 0.00 31.44 30.64 2dex n GLU 351 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2dex s MET 352 N -3.12 1.21 -0.03 5.31 0.23 -1.26 -0.56 119.30 121.08 2dex s MET 352 Ca 0.09 -0.86 -0.00 0.00 -1.03 0.00 0.00 55.69 53.89 2dex s MET 352 Cb 0.13 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.93 2dex s MET 352 CO 0.65 -0.49 0.01 -2.00 -2.03 0.00 0.00 175.02 171.16 2dex s GLU 353 N -3.86 0.23 -0.39 3.16 2.56 -0.40 -4.84 118.70 115.16 2dex s GLU 353 Ca 0.08 0.13 -0.17 0.00 0.00 0.00 0.00 54.97 55.01 2dex s GLU 353 Cb 0.01 -0.48 0.01 0.00 2.00 0.00 0.00 34.13 35.67 2dex s GLU 353 CO -0.06 -0.17 0.42 0.42 -0.56 0.00 0.00 175.26 175.31 2dex s ILE 354 N 1.21 5.11 0.00 -3.70 -1.09 -1.26 -0.26 121.20 121.21 2dex s ILE 354 Ca -0.07 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.16 2dex s ILE 354 Cb -0.13 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2dex s ILE 354 CO -0.02 -0.31 0.00 0.61 -1.23 0.00 0.00 174.94 173.98 2dex n GLY 355 N 5.05 4.46 3.49 6.18 0.00 0.23 -4.50 105.19 120.09 2dex n GLY 355 Ca -0.08 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 2dex n GLY 355 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dex s TYR 356 N 2.09 -0.06 0.13 1.61 -0.85 0.54 -0.73 117.35 120.08 2dex s TYR 356 Ca 0.00 -0.28 0.09 0.00 -0.52 0.00 0.00 57.07 56.37 2dex s TYR 356 Cb 0.00 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 2dex s TYR 356 CO 0.00 -0.88 -0.23 0.96 -1.52 0.00 0.00 175.55 173.88 2dex s ILE 357 N -3.88 1.97 -0.08 -3.49 -4.36 -0.25 -1.48 121.20 109.62 2dex s ILE 357 Ca 0.10 -1.74 -0.04 0.00 -0.26 0.00 0.00 60.65 58.71 2dex s ILE 357 Cb -0.00 -1.81 0.04 0.00 1.25 0.00 0.00 42.46 41.95 2dex s ILE 357 CO -0.03 -0.07 0.18 -1.58 0.24 0.00 0.00 174.94 173.68 2dex s GLN 358 N -2.21 0.11 0.20 0.37 0.74 -1.26 -0.95 119.66 116.66 2dex s GLN 358 Ca 0.12 0.48 0.01 0.00 0.05 0.00 0.00 55.36 56.02 2dex s GLN 358 Cb -0.09 -0.17 -0.05 0.00 1.10 0.00 0.00 33.01 33.80 2dex s GLN 358 CO 0.06 -0.20 0.04 0.00 -0.55 0.00 0.00 175.29 174.64 2dex s ALA 359 N 1.52 1.40 0.52 1.58 0.00 0.94 -4.85 121.76 122.87 2dex s ALA 359 Ca -0.06 -1.67 0.22 0.00 0.00 0.00 0.00 51.96 50.46 2dex s ALA 359 Cb -0.11 0.79 1.46 0.00 0.00 0.00 0.00 23.12 25.26 2dex s ALA 359 CO -0.07 -0.40 2.16 -1.35 0.00 0.00 0.00 175.76 176.10 2dex h PRO 360 N 2.61 0.00 0.00 0.00 0.11 -1.93 -2.64 132.00 130.15 2dex h PRO 360 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2dex h PRO 360 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2dex h PRO 360 CO 0.61 0.04 -0.94 -2.39 -0.21 0.00 0.00 178.00 175.11 2dex n HIS 361 N -4.13 0.28 -3.64 0.65 1.44 -1.26 -4.96 115.22 103.60 2dex n HIS 361 Ca -0.03 0.08 -0.07 0.00 -2.01 0.00 0.00 57.72 55.69 2dex n HIS 361 Cb 0.13 -0.44 -0.07 0.00 0.12 0.00 0.00 29.99 29.73 2dex n HIS 361 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2dex s LYS 362 N -3.18 0.47 -0.05 -1.40 2.47 -1.00 -4.99 119.74 112.07 2dex s LYS 362 Ca 0.05 0.63 0.03 0.00 -1.56 0.00 0.00 55.97 55.11 2dex s LYS 362 Cb 0.14 0.20 0.01 0.00 -1.46 0.00 0.00 37.83 36.72 2dex s LYS 362 CO 0.79 -0.07 -0.14 0.99 0.16 0.00 0.00 175.35 177.08 2dex s THR 363 N 0.55 1.20 0.02 3.43 2.01 -1.26 -0.04 115.64 121.55 2dex s THR 363 Ca -0.00 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 2dex s THR 363 Cb -0.05 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 2dex s THR 363 CO -0.09 0.36 0.05 -1.48 -0.69 0.00 0.00 174.62 172.77 2dex s LEU 364 N 0.39 1.95 0.48 4.42 2.34 -0.13 -5.00 118.68 123.14 2dex s LEU 364 Ca -0.10 -0.49 -0.21 0.00 0.06 0.00 0.00 54.13 53.40 2dex s LEU 364 Cb -0.13 0.42 -0.08 0.00 -0.56 0.00 0.00 46.19 45.83 2dex s LEU 364 CO 0.03 -0.42 1.07 -2.16 -1.06 0.00 0.00 176.35 173.81 2dex s PRO 365 N -2.06 3.75 -0.06 1.48 0.04 -1.25 -1.10 135.00 135.81 2dex s PRO 365 Ca -0.10 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.38 2dex s PRO 365 Cb -0.05 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.37 2dex s PRO 365 CO -0.02 -0.49 0.10 0.08 0.04 0.00 0.00 177.00 176.71 2dex s VAL 366 N -1.86 -0.15 -0.20 -0.36 1.01 0.10 0.01 120.40 118.95 2dex s VAL 366 Ca 0.67 0.34 -0.23 0.00 0.00 0.00 0.00 61.98 62.75 2dex s VAL 366 Cb -0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 2dex s VAL 366 CO 0.23 0.14 0.76 -0.69 0.00 0.00 0.00 175.10 175.55 2dex s VAL 367 N 1.91 4.92 -0.31 2.92 1.01 -0.62 -0.60 120.40 129.62 2dex s VAL 367 Ca 0.00 1.46 -0.20 0.00 0.00 0.00 0.00 61.98 63.24 2dex s VAL 367 Cb -0.12 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2dex s VAL 367 CO -0.04 0.03 0.63 0.12 0.00 0.00 0.00 175.10 175.83 2dex s PHE 368 N 2.27 3.20 -0.38 5.22 5.36 0.64 -1.30 117.98 132.98 2dex s PHE 368 Ca 0.34 0.54 -0.18 0.00 -0.96 0.00 0.00 56.93 56.67 2dex s PHE 368 Cb -0.16 -3.01 0.01 0.00 -0.34 0.00 0.00 43.02 39.52 2dex s PHE 368 CO 0.10 -0.50 0.48 0.34 -1.46 0.00 0.00 175.22 174.18 2dex s ASP 369 N 1.67 6.25 0.43 6.13 2.15 0.74 -1.28 116.67 132.76 2dex s ASP 369 Ca 0.25 -0.32 -0.25 0.00 0.43 0.00 0.00 52.55 52.66 2dex s ASP 369 Cb -0.15 -2.25 -0.08 0.00 -0.30 0.00 0.00 42.92 40.14 2dex s ASP 369 CO 0.12 -0.53 1.26 -0.55 -0.17 0.00 0.00 175.17 175.31 2dex s SER 370 N 1.80 6.22 0.00 -0.34 0.15 0.27 -4.12 113.70 117.68 2dex s SER 370 Ca 0.16 2.55 0.14 0.00 0.70 0.00 0.00 55.95 59.51 2dex s SER 370 Cb -0.16 -2.63 0.79 0.00 -1.71 0.00 0.00 66.02 62.31 2dex s SER 370 CO 0.14 -0.91 1.34 -0.81 1.20 0.00 0.00 173.24 174.20 2dex n PRO 371 N -0.10 0.32 -0.30 5.44 -0.04 -1.26 -3.92 135.00 135.14 2dex n PRO 371 Ca 0.05 0.08 0.15 0.00 -0.04 0.00 0.00 63.50 63.74 2dex n PRO 371 Cb 0.45 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.81 2dex n PRO 371 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2dex h ARG 372 N 0.00 0.61 -6.17 0.54 0.11 -1.91 -3.46 114.38 104.11 2dex h ARG 372 Ca 0.00 -0.04 -0.43 0.00 0.10 0.00 0.00 59.98 59.62 2dex h ARG 372 Cb 0.07 -0.14 0.06 0.00 1.11 0.00 0.00 29.97 31.07 2dex h ARG 372 CO 0.00 0.40 -0.89 0.09 0.10 0.00 0.00 179.97 179.68 2dex n ASN 373 N -4.63 -3.03 -0.36 0.08 3.02 -1.25 -5.02 115.26 104.07 2dex n ASN 373 Ca 0.21 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 2dex n ASN 373 Cb 0.60 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 36.07 2dex n ASN 373 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dex n ARG 374 N -4.17 3.87 -0.23 3.52 1.74 -1.26 -4.80 116.66 115.32 2dex n ARG 374 Ca -0.20 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.05 2dex n ARG 374 Cb 0.64 0.00 0.49 0.00 -1.02 0.00 0.00 32.46 32.58 2dex n ARG 374 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2dex h GLY 375 N 0.00 0.88 0.38 -0.13 0.00 -1.86 0.01 103.07 102.35 2dex h GLY 375 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2dex h GLY 375 CO 0.00 0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.60 2dex n LEU 376 N -4.51 0.00 -0.35 3.11 4.32 -1.24 -4.36 117.00 113.97 2dex n LEU 376 Ca 0.18 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.27 2dex n LEU 376 Cb 0.64 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.64 2dex n LEU 376 CO 0.31 0.00 0.70 1.17 -1.22 0.00 0.00 177.39 178.35 2dex n LYS 377 N -0.69 -0.08 0.11 3.23 4.81 -0.01 -1.40 118.16 124.12 2dex n LYS 377 Ca 0.08 1.50 0.12 0.00 -0.87 0.00 0.00 58.31 59.14 2dex n LYS 377 Cb 0.04 -2.30 0.20 0.00 0.02 0.00 0.00 35.03 32.99 2dex n LYS 377 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2dex h GLU 378 N 0.00 0.00 -0.15 1.64 4.39 -1.85 -3.39 114.58 115.22 2dex h GLU 378 Ca 0.52 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.24 2dex h GLU 378 Cb 0.93 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 2dex h GLU 378 CO -0.97 0.00 0.02 0.35 -1.16 0.00 0.00 179.01 177.26 2dex h PHE 379 N 0.00 0.04 -0.87 4.33 3.57 -1.56 0.26 116.94 122.71 2dex h PHE 379 Ca 0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2dex h PHE 379 Cb 0.83 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2dex h PHE 379 CO 0.00 0.01 0.57 -1.35 -2.23 0.00 0.00 178.31 175.32 2dex h PRO 380 N 0.09 1.07 0.11 6.41 0.11 -1.76 0.25 132.00 138.27 2dex h PRO 380 Ca 0.07 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.95 2dex h PRO 380 Cb 0.06 -0.24 0.02 0.00 0.11 0.00 0.00 31.00 30.95 2dex h PRO 380 CO -0.10 0.71 -0.73 0.82 -0.21 0.00 0.00 178.00 178.50 2dex h ILE 381 N 1.11 1.51 0.18 4.15 2.04 -1.63 0.27 117.51 125.15 2dex h ILE 381 Ca 0.34 -2.44 -0.35 0.00 1.00 0.00 0.00 64.86 63.41 2dex h ILE 381 Cb -0.01 3.10 0.01 0.00 -0.74 0.00 0.00 36.82 39.18 2dex h ILE 381 CO -0.10 0.69 -1.74 0.50 0.00 0.00 0.00 178.15 177.50 2dex h LYS 382 N -0.36 0.39 0.00 2.37 3.64 -0.51 -3.38 116.57 118.72 2dex h LYS 382 Ca -0.12 -0.67 -0.25 0.00 -1.27 0.00 0.00 60.65 58.34 2dex h LYS 382 Cb 1.54 0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 33.56 2dex h LYS 382 CO 0.14 1.31 -1.94 0.54 -2.27 0.00 0.00 179.45 177.23 2dex n ARG 383 N -3.58 1.55 -0.09 1.90 5.12 0.79 -4.74 116.66 117.61 2dex n ARG 383 Ca -0.24 0.01 -0.23 0.00 -1.93 0.00 0.00 57.85 55.46 2dex n ARG 383 Cb 1.08 -1.35 -0.12 0.00 -1.16 0.00 0.00 32.46 30.91 2dex n ARG 383 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2dex n VAL 384 N -2.59 1.59 -1.98 1.55 0.31 -0.72 -4.87 118.33 111.62 2dex n VAL 384 Ca -0.24 -0.34 -0.41 0.00 -0.01 0.00 0.00 64.34 63.34 2dex n VAL 384 Cb 0.92 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 31.99 2dex n VAL 384 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2dex s MET 385 N -2.47 4.25 0.00 5.55 -2.45 0.94 -4.78 119.30 120.34 2dex s MET 385 Ca -0.31 2.37 0.00 0.00 -1.25 0.00 0.00 55.69 56.50 2dex s MET 385 Cb 0.09 -3.03 0.00 0.00 1.25 0.00 0.00 34.83 33.14 2dex s MET 385 CO 0.61 -0.34 0.00 0.41 1.05 0.00 0.00 175.02 176.75 2dex n GLY 386 N 0.74 -0.64 3.68 2.11 0.00 -0.93 -4.79 105.19 105.36 2dex n GLY 386 Ca 0.01 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 44.84 2dex n GLY 386 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dex n PRO 387 N 0.00 2.47 -2.29 1.61 -0.02 -0.41 -1.67 135.00 134.71 2dex n PRO 387 Ca 0.00 0.90 -0.16 0.00 -2.02 0.00 0.00 63.50 62.22 2dex n PRO 387 Cb 0.00 -2.76 -0.02 0.00 -0.02 0.00 0.00 33.50 30.70 2dex n PRO 387 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2dex n ASP 388 N 5.83 -4.69 -3.74 2.55 8.00 -1.26 -4.94 116.55 118.30 2dex n ASP 388 Ca 0.20 0.15 -0.28 0.00 0.71 0.00 0.00 54.79 55.56 2dex n ASP 388 Cb 0.33 -3.98 -0.16 0.00 -0.02 0.00 0.00 41.12 37.29 2dex n ASP 388 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2dex s PHE 389 N -2.73 1.21 0.86 1.24 5.99 -0.74 -3.90 117.98 119.91 2dex s PHE 389 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 56.93 55.74 2dex s PHE 389 Cb 0.00 -1.17 0.11 0.00 0.00 0.00 0.00 43.02 41.96 2dex s PHE 389 CO 0.00 -0.67 1.17 0.20 -0.00 0.00 0.00 175.22 175.91 2dex s GLY 390 N 1.79 1.59 0.00 13.12 0.00 0.10 -2.18 107.32 121.75 2dex s GLY 390 Ca 0.01 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 44.12 2dex s GLY 390 CO -0.12 -0.09 -0.08 -0.47 0.00 0.00 0.00 173.10 172.34 2dex s TYR 391 N -3.47 0.68 -0.02 1.90 5.04 0.54 -1.59 117.35 120.42 2dex s TYR 391 Ca 0.63 -0.16 -0.07 0.00 -2.44 0.00 0.00 57.07 55.03 2dex s TYR 391 Cb -0.12 -0.43 0.01 0.00 0.35 0.00 0.00 41.96 41.77 2dex s TYR 391 CO 0.51 -0.01 0.16 0.08 -1.34 0.00 0.00 175.55 174.95 2dex s VAL 392 N -0.30 0.05 0.06 3.14 1.01 -0.42 -4.82 120.40 119.12 2dex s VAL 392 Ca 0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2dex s VAL 392 Cb -0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2dex s VAL 392 CO -0.00 -0.23 0.04 0.28 0.00 0.00 0.00 175.10 175.18 2dex s THR 393 N -0.84 0.19 0.10 3.92 -1.32 -1.26 -0.18 115.64 116.25 2dex s THR 393 Ca -0.09 -1.60 -0.11 0.00 -1.21 0.00 0.00 61.69 58.68 2dex s THR 393 Cb -0.05 -1.44 0.01 0.00 -1.51 0.00 0.00 72.50 69.51 2dex s THR 393 CO 0.01 -0.88 0.26 -0.13 -2.21 0.00 0.00 174.62 171.67 2dex s ARG 394 N -3.85 0.92 0.00 7.08 1.81 -1.26 -5.00 118.95 118.66 2dex s ARG 394 Ca 0.06 -0.87 0.00 0.00 -1.72 0.00 0.00 55.73 53.20 2dex s ARG 394 Cb 0.07 0.38 0.00 0.00 -0.45 0.00 0.00 34.95 34.95 2dex s ARG 394 CO -0.10 -0.32 0.00 0.41 -0.68 0.00 0.00 175.30 174.61 2dex n GLY 395 N -0.11 0.30 3.77 -3.53 0.00 -1.26 -4.08 105.19 100.27 2dex n GLY 395 Ca -0.15 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 2dex n GLY 395 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dex s PRO 396 N -2.24 4.40 -0.00 1.61 0.04 -1.26 -4.96 135.00 132.59 2dex s PRO 396 Ca 0.00 2.03 0.18 0.00 0.04 0.00 0.00 61.00 63.24 2dex s PRO 396 Cb 0.00 -3.05 -0.20 0.00 0.04 0.00 0.00 34.50 31.29 2dex s PRO 396 CO 0.00 -0.08 0.71 1.04 0.04 0.00 0.00 177.00 178.72 2dex n GLN 397 N 0.82 1.11 -0.52 4.56 1.13 -1.26 -4.41 117.38 118.80 2dex n GLN 397 Ca 0.00 -0.02 0.07 0.00 -1.94 0.00 0.00 57.00 55.11 2dex n GLN 397 Cb 0.43 -1.34 0.19 0.00 0.11 0.00 0.00 30.24 29.63 2dex n GLN 397 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2dex n THR 398 N -1.49 2.08 -1.35 5.09 -2.24 -1.26 -4.95 114.28 110.15 2dex n THR 398 Ca 0.03 -2.99 0.00 0.00 -2.27 0.00 0.00 64.05 58.82 2dex n THR 398 Cb 0.30 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 2dex n THR 398 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dex n GLY 399 N -1.13 -0.43 2.13 3.38 0.00 -1.26 -5.07 105.19 102.80 2dex n GLY 399 Ca 0.18 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 2dex n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dex n GLY 400 N -0.48 0.37 3.41 -0.02 0.00 -1.26 -4.62 105.19 102.59 2dex n GLY 400 Ca 0.00 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 2dex n GLY 400 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dex s ILE 401 N -2.27 2.07 0.41 -0.61 1.10 -1.26 -4.89 121.20 115.74 2dex s ILE 401 Ca 0.00 -2.29 0.04 0.00 -0.51 0.00 0.00 60.65 57.88 2dex s ILE 401 Cb 0.00 -2.20 -0.03 0.00 0.15 0.00 0.00 42.46 40.38 2dex s ILE 401 CO 0.00 -0.48 0.11 -0.94 -2.11 0.00 0.00 174.94 171.52 2dex s SER 402 N -3.42 2.87 0.59 4.50 1.04 -1.26 -5.03 113.70 112.99 2dex s SER 402 Ca 0.26 -1.64 0.30 0.00 0.48 0.00 0.00 55.95 55.36 2dex s SER 402 Cb -0.02 0.44 1.82 0.00 0.10 0.00 0.00 66.02 68.35 2dex s SER 402 CO 0.11 -0.89 2.24 1.23 0.98 0.00 0.00 173.24 176.92 2dex h GLY 403 N 1.79 0.00 1.04 7.32 0.00 -1.90 -2.43 103.07 108.89 2dex h GLY 403 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2dex h GLY 403 CO 0.60 0.00 -0.00 1.04 0.00 0.00 0.00 176.54 178.18 2dex n LEU 404 N -3.78 0.05 0.02 3.11 4.77 -1.26 -2.07 117.00 117.85 2dex n LEU 404 Ca -0.03 0.03 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 2dex n LEU 404 Cb 0.10 -0.04 0.34 0.00 -2.33 0.00 0.00 43.42 41.49 2dex n LEU 404 CO 0.27 0.01 0.60 0.47 -1.33 0.00 0.00 177.39 177.41 2dex n ASP 405 N -1.00 0.44 -4.76 -1.43 10.43 -0.91 -4.35 116.55 114.97 2dex n ASP 405 Ca 0.22 0.11 -0.41 0.00 2.57 0.00 0.00 54.79 57.28 2dex n ASP 405 Cb 0.14 -0.06 -0.02 0.00 1.84 0.00 0.00 41.12 43.01 2dex n ASP 405 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2dex s SER 406 N -3.43 6.74 0.00 -2.24 0.01 -0.88 -4.60 113.70 109.30 2dex s SER 406 Ca 0.11 2.66 0.10 0.00 1.31 0.00 0.00 55.95 60.12 2dex s SER 406 Cb 0.16 -2.64 0.40 0.00 0.21 0.00 0.00 66.02 64.16 2dex s SER 406 CO 0.65 -0.59 1.29 0.49 0.41 0.00 0.00 173.24 175.49 2dex n PHE 407 N 1.42 0.19 0.31 2.43 0.99 0.16 -1.27 117.46 121.69 2dex n PHE 407 Ca 0.03 -0.09 0.19 0.00 -0.00 0.00 0.00 57.45 57.57 2dex n PHE 407 Cb 0.41 0.00 0.93 0.00 -1.00 0.00 0.00 39.48 39.82 2dex n PHE 407 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2dex h GLY 408 N 5.50 0.00 -2.36 1.37 0.00 -1.79 -2.34 103.07 103.45 2dex h GLY 408 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dex h GLY 408 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 2dex n ASN 409 N -2.94 3.53 -3.90 0.19 5.15 -0.39 -2.73 115.26 114.16 2dex n ASN 409 Ca -0.01 -2.21 -0.29 0.00 -0.60 0.00 0.00 54.58 51.47 2dex n ASN 409 Cb 0.16 -0.46 -0.16 0.00 -0.53 0.00 0.00 39.78 38.79 2dex n ASN 409 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2dex s LEU 410 N -1.33 1.86 0.31 1.20 2.96 -0.88 -3.38 118.68 119.41 2dex s LEU 410 Ca 0.39 -0.81 0.06 0.00 -0.22 0.00 0.00 54.13 53.56 2dex s LEU 410 Cb 0.24 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 2dex s LEU 410 CO 0.22 -0.20 0.26 -1.61 -1.32 0.00 0.00 176.35 173.70 2dex s GLU 411 N 1.57 1.68 -0.10 1.98 0.41 -0.39 -4.97 118.70 118.88 2dex s GLU 411 Ca -0.01 -1.97 -0.09 0.00 -0.41 0.00 0.00 54.97 52.49 2dex s GLU 411 Cb -0.16 0.31 0.03 0.00 -1.78 0.00 0.00 34.13 32.52 2dex s GLU 411 CO -0.07 -0.61 0.27 0.54 -0.49 0.00 0.00 175.26 174.89 2dex s VAL 412 N -3.55 0.00 0.69 2.63 0.11 -1.26 -0.77 120.40 118.25 2dex s VAL 412 Ca 0.40 -0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.33 2dex s VAL 412 Cb 0.03 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2dex s VAL 412 CO 0.25 -0.01 1.06 -0.94 -3.33 0.00 0.00 175.10 172.14 2dex s SER 413 N 0.11 5.49 1.05 3.54 1.04 0.09 -4.46 113.70 120.56 2dex s SER 413 Ca -0.00 1.45 -0.13 0.00 0.48 0.00 0.00 55.95 57.75 2dex s SER 413 Cb -0.02 -2.34 0.22 0.00 0.10 0.00 0.00 66.02 63.98 2dex s SER 413 CO 0.00 -1.35 1.07 -2.84 0.98 0.00 0.00 173.24 171.10 2dex s PRO 414 N -5.14 -0.03 0.44 4.02 0.02 -1.26 -4.00 135.00 129.05 2dex s PRO 414 Ca 0.58 0.62 -0.24 0.00 0.02 0.00 0.00 61.00 61.98 2dex s PRO 414 Cb -0.13 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.62 2dex s PRO 414 CO 0.54 -3.07 1.10 -2.30 -0.33 0.00 0.00 177.00 172.94 2dex n PRO 415 N -4.43 1.50 -3.68 5.54 -0.02 -1.26 -4.12 135.00 128.53 2dex n PRO 415 Ca 0.04 0.54 -0.14 0.00 -2.02 0.00 0.00 63.50 61.92 2dex n PRO 415 Cb 0.56 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 2dex n PRO 415 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dex s VAL 416 N -1.27 0.02 -0.13 -1.45 0.11 -0.73 -4.87 120.40 112.08 2dex s VAL 416 Ca 0.64 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.52 2dex s VAL 416 Cb -0.53 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 33.60 2dex s VAL 416 CO 0.56 -0.11 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.11 2dex s THR 417 N -0.76 2.04 -0.28 5.04 2.01 -1.26 0.07 115.64 122.50 2dex s THR 417 Ca -0.08 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 60.97 2dex s THR 417 Cb -0.03 -1.79 0.07 0.00 0.01 0.00 0.00 72.50 70.75 2dex s THR 417 CO 0.04 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.77 2dex s VAL 418 N 0.73 2.09 -1.28 3.82 1.01 0.09 -4.66 120.40 122.19 2dex s VAL 418 Ca -0.09 -1.76 -0.13 0.00 0.00 0.00 0.00 61.98 60.00 2dex s VAL 418 Cb -0.16 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2dex s VAL 418 CO 0.00 -0.19 0.58 0.54 0.00 0.00 0.00 175.10 176.03 2dex n ARG 419 N 4.43 -1.97 0.00 2.72 1.74 -1.26 -0.86 116.66 121.46 2dex n ARG 419 Ca -0.09 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 2dex n ARG 419 Cb 0.42 -4.06 0.00 0.00 -1.02 0.00 0.00 32.46 27.80 2dex n ARG 419 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dex n GLY 420 N -1.91 2.77 3.63 -0.13 0.00 -1.26 -4.99 105.19 103.29 2dex n GLY 420 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2dex n GLY 420 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dex s LYS 421 N -0.04 4.04 0.10 1.61 2.20 -0.04 -5.02 119.74 122.59 2dex s LYS 421 Ca 0.00 0.81 -0.27 0.00 -0.36 0.00 0.00 55.97 56.14 2dex s LYS 421 Cb 0.00 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.54 2dex s LYS 421 CO 0.00 -0.71 0.86 -2.00 -0.36 0.00 0.00 175.35 173.14 2dex s GLU 422 N 3.14 4.62 -0.59 4.03 2.12 -1.26 -0.73 118.70 130.02 2dex s GLU 422 Ca 0.37 1.27 0.04 0.00 0.36 0.00 0.00 54.97 57.01 2dex s GLU 422 Cb -0.14 -3.35 0.17 0.00 0.26 0.00 0.00 34.13 31.07 2dex s GLU 422 CO 0.12 0.31 0.42 0.71 -0.54 0.00 0.00 175.26 176.28 2dex s TYR 423 N -0.27 2.73 -1.26 5.30 1.51 0.11 -4.95 117.35 120.53 2dex s TYR 423 Ca 0.42 -2.98 0.23 0.00 -1.01 0.00 0.00 57.07 53.73 2dex s TYR 423 Cb -0.22 -2.14 1.09 0.00 -0.11 0.00 0.00 41.96 40.58 2dex s TYR 423 CO 0.27 -0.65 1.75 -0.35 -1.11 0.00 0.00 175.55 175.45 2dex n PRO 424 N 2.38 0.20 -0.12 -1.71 -0.04 -1.26 -1.47 135.00 132.98 2dex n PRO 424 Ca 0.21 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.81 2dex n PRO 424 Cb 0.38 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.46 2dex n PRO 424 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dex n LEU 425 N -1.37 2.56 0.00 1.53 4.77 -1.26 -4.65 117.00 118.58 2dex n LEU 425 Ca 0.09 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.56 2dex n LEU 425 Cb 0.22 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2dex n LEU 425 CO 0.19 0.63 -0.01 0.61 -1.33 0.00 0.00 177.39 177.49 2dex n GLY 426 N -0.64 -1.62 3.02 -0.72 0.00 -0.54 -4.75 105.19 99.93 2dex n GLY 426 Ca 0.10 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 2dex n GLY 426 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dex s ARG 427 N -0.08 1.53 0.40 1.61 6.06 -1.26 -4.41 118.95 122.81 2dex s ARG 427 Ca 0.00 -0.38 -0.26 0.00 -2.50 0.00 0.00 55.73 52.59 2dex s ARG 427 Cb 0.00 -1.30 -0.09 0.00 0.06 0.00 0.00 34.95 33.62 2dex s ARG 427 CO 0.00 0.04 1.27 0.42 -2.50 0.00 0.00 175.30 174.53 2dex s ILE 428 N 0.59 2.75 -0.08 4.11 1.01 0.77 -0.73 121.20 129.62 2dex s ILE 428 Ca -0.12 0.67 0.02 0.00 0.00 0.00 0.00 60.65 61.21 2dex s ILE 428 Cb -0.15 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.95 2dex s ILE 428 CO 0.03 0.09 -0.13 -0.76 0.00 0.00 0.00 174.94 174.17 2dex s LEU 429 N -2.41 1.64 0.01 2.97 1.02 0.05 -0.36 118.68 121.60 2dex s LEU 429 Ca 0.56 -0.35 -0.08 0.00 0.02 0.00 0.00 54.13 54.29 2dex s LEU 429 Cb -0.36 -0.93 0.00 0.00 0.02 0.00 0.00 46.19 44.92 2dex s LEU 429 CO 0.47 0.02 0.14 0.72 0.02 0.00 0.00 176.35 177.72 2dex s PHE 430 N 0.83 0.06 0.16 0.29 -0.12 -1.03 -1.27 117.98 116.92 2dex s PHE 430 Ca -0.11 -0.21 -0.18 0.00 -0.05 0.00 0.00 56.93 56.39 2dex s PHE 430 Cb -0.15 -0.06 -0.07 0.00 -0.63 0.00 0.00 43.02 42.10 2dex s PHE 430 CO 0.02 -0.32 0.63 0.20 -0.05 0.00 0.00 175.22 175.70 2dex s GLY 431 N -1.61 2.58 0.15 1.99 0.00 -1.22 -0.31 107.32 108.91 2dex s GLY 431 Ca -0.12 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.68 2dex s GLY 431 CO -0.00 0.39 0.11 1.34 0.00 0.00 0.00 173.10 174.94 2dex n ASP 432 N 0.98 -0.11 -4.96 1.64 -0.08 0.30 -4.43 116.55 109.89 2dex n ASP 432 Ca -0.05 -1.95 -0.22 0.00 -1.51 0.00 0.00 54.79 51.06 2dex n ASP 432 Cb 0.51 0.68 0.03 0.00 2.34 0.00 0.00 41.12 44.69 2dex n ASP 432 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2dex s SER 433 N -2.02 5.37 0.25 1.67 1.04 -1.24 -1.05 113.70 117.72 2dex s SER 433 Ca 0.16 0.13 0.13 0.00 0.48 0.00 0.00 55.95 56.85 2dex s SER 433 Cb 0.01 -1.07 0.07 0.00 0.10 0.00 0.00 66.02 65.13 2dex s SER 433 CO 0.11 -1.09 1.44 0.00 0.98 0.00 0.00 173.24 174.69 2dex s TYR 435 N -2.99 -0.25 -0.13 0.00 -0.85 -1.26 -5.14 117.35 106.74 2dex s TYR 435 Ca 0.03 0.22 -0.29 0.00 -0.52 0.00 0.00 57.07 56.50 2dex s TYR 435 Cb 0.09 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.60 2dex s TYR 435 CO 0.76 -0.54 1.18 -1.25 -1.52 0.00 0.00 175.55 174.18 2dex s PRO 436 N -2.33 4.30 0.39 -3.49 0.04 -1.26 -4.90 135.00 127.74 2dex s PRO 436 Ca -0.06 1.60 0.04 0.00 0.04 0.00 0.00 61.00 62.61 2dex s PRO 436 Cb -0.01 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 2dex s PRO 436 CO -0.01 -0.56 0.13 -1.54 0.04 0.00 0.00 177.00 175.06 2dex s SER 437 N 1.59 2.59 0.53 6.66 1.04 -1.26 -5.01 113.70 119.84 2dex s SER 437 Ca 0.53 -1.64 0.18 0.00 0.48 0.00 0.00 55.95 55.50 2dex s SER 437 Cb -0.22 0.45 1.33 0.00 0.10 0.00 0.00 66.02 67.68 2dex s SER 437 CO 0.17 -0.91 2.13 0.78 0.98 0.00 0.00 173.24 176.39 2dex h ASN 438 N 1.87 0.00 -0.24 7.02 2.35 -2.06 -2.66 115.58 121.86 2dex h ASN 438 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2dex h ASN 438 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2dex h ASN 438 CO 0.56 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.81 2dex n ASP 439 N -4.47 2.90 -4.90 5.81 10.43 -1.26 -5.00 116.55 120.06 2dex n ASP 439 Ca -0.01 -1.85 -0.29 0.00 2.57 0.00 0.00 54.79 55.21 2dex n ASP 439 Cb 0.18 -0.15 -0.03 0.00 1.84 0.00 0.00 41.12 42.96 2dex n ASP 439 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2dex s SER 440 N -1.28 6.48 0.22 -2.24 1.04 -1.01 -5.10 113.70 111.80 2dex s SER 440 Ca 0.27 0.82 0.10 0.00 0.48 0.00 0.00 55.95 57.62 2dex s SER 440 Cb 0.17 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 64.06 2dex s SER 440 CO 0.23 -0.23 -0.09 -0.13 0.98 0.00 0.00 173.24 174.01 2dex s ARG 441 N -3.56 2.06 0.10 4.02 0.52 -1.26 -4.78 118.95 116.05 2dex s ARG 441 Ca 0.46 -1.38 -0.06 0.00 -0.52 0.00 0.00 55.73 54.22 2dex s ARG 441 Cb -0.11 -2.10 -0.02 0.00 0.52 0.00 0.00 34.95 33.25 2dex s ARG 441 CO 0.29 0.40 0.14 1.14 0.02 0.00 0.00 175.30 177.30 2dex s GLN 442 N -3.15 0.87 0.39 3.54 -2.07 -1.26 -3.63 119.66 114.34 2dex s GLN 442 Ca 0.27 -1.12 -0.26 0.00 -1.82 0.00 0.00 55.36 52.43 2dex s GLN 442 Cb -0.08 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 32.07 2dex s GLN 442 CO 0.16 -0.26 1.19 1.41 -1.32 0.00 0.00 175.29 176.47 2dex s MET 443 N -3.92 4.08 0.38 9.60 -2.45 -1.26 -4.59 119.30 121.14 2dex s MET 443 Ca 0.10 1.90 -0.27 0.00 -1.25 0.00 0.00 55.69 56.17 2dex s MET 443 Cb 0.06 -2.73 -0.11 0.00 1.25 0.00 0.00 34.83 33.30 2dex s MET 443 CO -0.07 -0.32 1.28 1.58 1.05 0.00 0.00 175.02 178.55 2dex n HIS 444 N 0.16 2.21 0.11 4.11 -0.00 -1.26 -4.77 115.22 115.77 2dex n HIS 444 Ca 0.04 0.52 0.05 0.00 0.46 0.00 0.00 57.72 58.79 2dex n HIS 444 Cb 0.46 -2.40 0.49 0.00 -0.12 0.00 0.00 29.99 28.42 2dex n HIS 444 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 2dex h GLN 445 N 2.32 0.30 -0.72 1.57 5.75 -1.97 -1.70 115.11 120.66 2dex h GLN 445 Ca -0.47 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 57.99 2dex h GLN 445 Cb 1.29 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.74 2dex h GLN 445 CO 0.61 0.25 0.42 0.00 -2.65 0.00 0.00 178.83 177.46 2dex h ALA 446 N 1.80 1.39 -0.16 3.38 0.00 -1.99 0.77 119.26 124.46 2dex h ALA 446 Ca 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2dex h ALA 446 Cb 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2dex h ALA 446 CO -0.01 0.52 -0.14 -0.07 0.00 0.00 0.00 179.25 179.55 2dex h LEU 447 N 0.99 0.39 -0.20 0.00 3.38 -1.68 -2.26 115.31 115.94 2dex h LEU 447 Ca 0.26 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2dex h LEU 447 Cb -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2dex h LEU 447 CO -0.05 0.78 0.13 1.56 0.09 0.00 0.00 178.44 180.95 2dex h GLN 448 N 0.01 0.25 -0.59 1.13 4.20 -1.05 -1.04 115.11 118.02 2dex h GLN 448 Ca 0.03 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2dex h GLN 448 Cb 0.66 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2dex h GLN 448 CO 0.04 0.17 0.09 -0.44 -0.67 0.00 0.00 178.83 178.01 2dex h ASP 449 N 0.26 0.92 -0.32 1.46 3.32 -0.92 -1.72 116.42 119.41 2dex h ASP 449 Ca 0.08 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2dex h ASP 449 Cb -0.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2dex h ASP 449 CO -0.02 0.92 0.13 0.15 -1.72 0.00 0.00 179.24 178.70 2dex h PHE 450 N 0.90 0.49 -0.45 4.55 3.57 -1.01 -1.26 116.94 123.75 2dex h PHE 450 Ca 0.18 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2dex h PHE 450 Cb 0.41 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2dex h PHE 450 CO 0.03 0.47 0.28 -0.07 -2.23 0.00 0.00 178.31 176.78 2dex h LEU 451 N 0.37 0.45 -1.17 0.59 3.38 -0.83 -2.38 115.31 115.73 2dex h LEU 451 Ca 0.11 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2dex h LEU 451 Cb 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2dex h LEU 451 CO -0.01 0.33 -0.36 0.28 0.09 0.00 0.00 178.44 178.77 2dex h SER 452 N 0.56 0.10 0.74 -0.43 0.02 -1.29 -2.89 113.55 110.35 2dex h SER 452 Ca 0.18 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2dex h SER 452 Cb -0.01 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2dex h SER 452 CO -0.07 0.46 -0.19 0.00 -1.14 0.00 0.00 176.83 175.89 2dex h ALA 453 N 1.55 1.10 -0.54 3.77 0.00 -0.72 -3.03 119.26 121.38 2dex h ALA 453 Ca 0.01 -0.17 -0.70 0.00 0.00 0.00 0.00 54.91 54.05 2dex h ALA 453 Cb 0.68 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2dex h ALA 453 CO 0.05 0.23 2.55 1.04 0.00 0.00 0.00 179.25 183.13 2dex n GLN 454 N -3.45 3.09 -0.26 0.00 1.13 -1.01 -4.67 117.38 112.21 2dex n GLN 454 Ca -0.01 -3.04 0.32 0.00 -1.94 0.00 0.00 57.00 52.34 2dex n GLN 454 Cb 0.36 -3.33 0.74 0.00 0.11 0.00 0.00 30.24 28.12 2dex n GLN 454 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2dex h GLN 455 N 6.71 0.00 -1.40 -1.09 4.20 -1.72 -3.22 115.11 118.59 2dex h GLN 455 Ca 0.49 -0.00 0.41 0.00 0.06 0.00 0.00 58.65 59.61 2dex h GLN 455 Cb 0.75 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 2dex h GLN 455 CO 1.65 0.00 1.01 0.28 -0.67 0.00 0.00 178.83 181.10 2dex h VAL 456 N 0.00 0.30 -0.61 -0.54 2.07 -1.88 -2.46 116.25 113.13 2dex h VAL 456 Ca 0.50 -0.00 -0.43 0.00 0.82 0.00 0.00 66.70 67.60 2dex h VAL 456 Cb 2.01 0.29 -0.40 0.00 -1.52 0.00 0.00 31.29 31.67 2dex h VAL 456 CO -0.01 0.00 -0.91 0.00 0.02 0.00 0.00 177.57 176.67 2dex n GLN 457 N -4.12 2.88 0.00 1.57 6.02 -1.22 -4.69 117.38 117.83 2dex n GLN 457 Ca 0.31 -3.89 0.00 0.00 -0.01 0.00 0.00 57.00 53.41 2dex n GLN 457 Cb 1.46 -2.00 0.00 0.00 1.02 0.00 0.00 30.24 30.72 2dex n GLN 457 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dex n ALA 458 N -0.67 0.00 -1.47 -1.58 0.00 -0.93 -0.16 120.51 115.70 2dex n ALA 458 Ca 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.34 2dex n ALA 458 Cb 0.91 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.38 2dex n ALA 458 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2dex n PRO 459 N 0.00 0.61 -4.14 0.00 -0.02 -1.26 -4.36 135.00 125.84 2dex n PRO 459 Ca 0.00 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.40 2dex n PRO 459 Cb 0.00 -1.62 -0.16 0.00 -0.02 0.00 0.00 33.50 31.70 2dex n PRO 459 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dex s VAL 460 N -1.56 1.77 -0.03 -1.45 1.01 0.51 -4.92 120.40 115.74 2dex s VAL 460 Ca 0.65 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 2dex s VAL 460 Cb -0.54 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2dex s VAL 460 CO 0.57 0.49 1.24 -0.54 0.00 0.00 0.00 175.10 176.86 2dex s LYS 461 N 1.33 4.35 0.51 2.72 1.02 -1.26 -2.47 119.74 125.94 2dex s LYS 461 Ca 0.03 1.75 0.07 0.00 0.02 0.00 0.00 55.97 57.84 2dex s LYS 461 Cb -0.13 -3.53 0.03 0.00 -0.52 0.00 0.00 37.83 33.67 2dex s LYS 461 CO -0.10 -0.45 0.46 -0.51 -0.92 0.00 0.00 175.35 173.83 2dex s LEU 462 N 2.11 2.96 -0.54 3.17 1.43 0.58 -4.92 118.68 123.47 2dex s LEU 462 Ca 0.58 -1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2dex s LEU 462 Cb -0.27 -1.50 0.14 0.00 0.03 0.00 0.00 46.19 44.59 2dex s LEU 462 CO 0.24 -1.02 0.43 -0.47 0.23 0.00 0.00 176.35 175.76 2dex s TYR 463 N -2.67 3.43 -0.84 0.29 6.04 -1.26 0.11 117.35 122.45 2dex s TYR 463 Ca 0.43 -1.84 0.11 0.00 0.04 0.00 0.00 57.07 55.80 2dex s TYR 463 Cb -0.03 -3.57 -0.05 0.00 -1.04 0.00 0.00 41.96 37.27 2dex s TYR 463 CO 0.26 -0.99 0.59 -1.13 -1.54 0.00 0.00 175.55 172.75 2dex n SER 464 N 4.75 1.00 0.08 4.32 3.41 -0.21 -4.76 113.62 122.21 2dex n SER 464 Ca -0.05 -1.00 0.11 0.00 -0.26 0.00 0.00 58.87 57.66 2dex n SER 464 Cb 0.41 0.67 0.44 0.00 -0.26 0.00 0.00 64.21 65.46 2dex n SER 464 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dex n ASP 465 N -0.61 0.42 0.25 4.04 4.64 -0.74 -1.88 116.55 122.67 2dex n ASP 465 Ca 0.04 0.59 0.17 0.00 -1.38 0.00 0.00 54.79 54.20 2dex n ASP 465 Cb 0.21 -0.69 0.76 0.00 -1.04 0.00 0.00 41.12 40.36 2dex n ASP 465 CO 0.00 0.00 0.00 4.11 -0.82 0.00 0.00 177.20 180.49 2dex h TRP 466 N 0.00 0.00 -3.74 -0.67 5.08 -1.85 -3.44 115.95 111.32 2dex h TRP 466 Ca 0.00 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.48 2dex h TRP 466 Cb 0.39 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.52 2dex h TRP 466 CO 0.00 0.00 0.14 -0.51 -1.28 0.00 0.00 178.44 176.79 2dex s LEU 467 N -5.60 4.11 0.06 0.11 1.43 -0.79 -1.54 118.68 116.46 2dex s LEU 467 Ca 0.00 1.37 -0.32 0.00 -1.03 0.00 0.00 54.13 54.15 2dex s LEU 467 Cb 0.10 -4.04 -0.18 0.00 0.03 0.00 0.00 46.19 42.09 2dex s LEU 467 CO 0.44 -0.18 1.57 -1.28 0.23 0.00 0.00 176.35 177.13 2dex h SER 468 N 2.45 -0.71 0.23 2.29 0.87 -1.40 -3.18 113.55 114.10 2dex h SER 468 Ca -0.48 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 2dex h SER 468 Cb 1.18 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2dex h SER 468 CO 0.65 -0.48 -0.11 0.58 -0.53 0.00 0.00 176.83 176.94 2dex h VAL 469 N -0.89 0.84 0.00 2.23 2.07 -1.93 -3.49 116.25 115.09 2dex h VAL 469 Ca -0.09 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2dex h VAL 469 Cb 0.66 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2dex h VAL 469 CO 0.14 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.48 2dex n GLY 470 N -0.26 1.72 3.45 2.17 0.00 -1.20 -4.61 105.19 106.46 2dex n GLY 470 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2dex n GLY 470 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dex s HIS 471 N -2.00 2.67 0.53 1.61 3.76 -1.26 -4.59 115.29 116.01 2dex s HIS 471 Ca 0.00 -0.21 0.21 0.00 -0.15 0.00 0.00 55.06 54.91 2dex s HIS 471 Cb 0.00 -1.63 1.36 0.00 1.11 0.00 0.00 32.58 33.43 2dex s HIS 471 CO 0.00 0.14 2.08 -0.39 -0.85 0.00 0.00 174.74 175.72 2dex h VAL 472 N 4.41 0.84 0.00 -0.90 -1.51 -1.83 -1.69 116.25 115.57 2dex h VAL 472 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2dex h VAL 472 Cb 1.15 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2dex h VAL 472 CO 0.50 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.94 2dex n ASP 473 N -4.41 0.00 0.10 4.19 3.85 -1.11 -1.67 116.55 117.51 2dex n ASP 473 Ca 0.03 0.32 0.13 0.00 -0.71 0.00 0.00 54.79 54.56 2dex n ASP 473 Cb 0.34 -0.41 0.36 0.00 -1.35 0.00 0.00 41.12 40.06 2dex n ASP 473 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 2dex h GLU 474 N 0.00 0.00 0.00 0.11 5.08 -1.60 -3.36 114.58 114.81 2dex h GLU 474 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dex h GLU 474 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2dex h GLU 474 CO 0.00 0.00 -0.03 1.97 -1.00 0.00 0.00 179.01 179.95 2dex n PHE 475 N -2.28 0.00 -4.14 4.33 1.16 -0.73 -4.81 117.46 110.99 2dex n PHE 475 Ca 0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.51 2dex n PHE 475 Cb 0.44 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.20 2dex n PHE 475 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 2dex s LEU 476 N -1.07 2.42 0.19 5.98 0.05 -0.67 -1.82 118.68 123.77 2dex s LEU 476 Ca 0.00 -0.84 -0.14 0.00 0.05 0.00 0.00 54.13 53.20 2dex s LEU 476 Cb 0.00 -0.15 0.01 0.00 -2.05 0.00 0.00 46.19 44.00 2dex s LEU 476 CO 0.00 -0.35 0.43 -0.55 -0.55 0.00 0.00 176.35 175.33 2dex s SER 477 N -2.53 -0.12 0.06 1.48 0.15 -0.84 -4.43 113.70 107.47 2dex s SER 477 Ca 0.05 -0.69 0.08 0.00 0.70 0.00 0.00 55.95 56.09 2dex s SER 477 Cb -0.01 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.81 2dex s SER 477 CO -0.02 -1.01 -0.22 -0.36 1.20 0.00 0.00 173.24 172.82 2dex s PHE 478 N -3.93 1.95 0.07 3.44 0.40 -1.26 -0.72 117.98 117.93 2dex s PHE 478 Ca 0.14 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.12 2dex s PHE 478 Cb 0.01 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 2dex s PHE 478 CO 0.00 0.14 -0.11 0.14 0.70 0.00 0.00 175.22 176.10 2dex s VAL 479 N -0.89 0.87 0.71 -0.44 -7.23 -0.63 -4.72 120.40 108.07 2dex s VAL 479 Ca 0.09 -1.39 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 2dex s VAL 479 Cb -0.09 -1.07 0.03 0.00 0.56 0.00 0.00 36.38 35.81 2dex s VAL 479 CO 0.03 -0.42 1.11 -2.16 -0.31 0.00 0.00 175.10 173.35 2dex s PRO 480 N -2.16 2.50 0.01 4.82 0.04 -1.26 -0.76 135.00 138.19 2dex s PRO 480 Ca -0.01 1.35 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 2dex s PRO 480 Cb -0.07 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2dex s PRO 480 CO 0.01 -1.48 0.15 0.00 0.04 0.00 0.00 177.00 175.71 2dex s ALA 481 N -2.51 -0.33 -0.59 8.56 0.00 -0.83 -4.56 121.76 121.50 2dex s ALA 481 Ca 0.66 -0.16 0.25 0.00 0.00 0.00 0.00 51.96 52.70 2dex s ALA 481 Cb -0.20 0.14 0.55 0.00 0.00 0.00 0.00 23.12 23.61 2dex s ALA 481 CO 0.47 -0.24 1.64 -1.00 0.00 0.00 0.00 175.76 176.63 2dex h PRO 482 N 4.11 0.00 -5.33 0.00 0.13 -1.86 -3.36 132.00 125.69 2dex h PRO 482 Ca -0.31 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.16 2dex h PRO 482 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2dex h PRO 482 CO 0.42 0.00 -0.51 0.16 -0.23 0.00 0.00 178.00 177.84 2dex s ASP 483 N -5.17 4.14 0.00 1.44 1.47 -1.26 -4.87 116.67 112.41 2dex s ASP 483 Ca 0.08 -1.58 0.00 0.00 1.18 0.00 0.00 52.55 52.24 2dex s ASP 483 Cb 0.10 0.36 0.00 0.00 -0.34 0.00 0.00 42.92 43.04 2dex s ASP 483 CO 0.64 -0.80 0.00 -1.14 0.68 0.00 0.00 175.17 174.55 2dex n ARG 484 N -1.25 -0.88 0.00 2.11 0.63 -1.26 -1.61 116.66 114.40 2dex n ARG 484 Ca -0.16 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 2dex n ARG 484 Cb 0.67 -0.58 0.00 0.00 0.45 0.00 0.00 32.46 33.00 2dex n ARG 484 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2dex n LYS 485 N 2.09 0.00 -0.44 -0.14 5.02 -1.26 -3.60 118.16 119.83 2dex n LYS 485 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2dex n LYS 485 Cb 0.00 -3.28 0.00 0.00 -0.02 0.00 0.00 35.03 31.73 2dex n LYS 485 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dex n GLY 486 N -1.08 0.75 3.78 0.72 0.00 -0.63 -4.99 105.19 103.75 2dex n GLY 486 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 2dex n GLY 486 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dex s PHE 487 N -2.00 -0.03 0.01 1.61 -0.12 -1.24 -1.96 117.98 114.26 2dex s PHE 487 Ca 0.00 -0.41 0.06 0.00 -0.05 0.00 0.00 56.93 56.53 2dex s PHE 487 Cb 0.00 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 2dex s PHE 487 CO 0.00 -1.17 -0.17 1.03 -0.05 0.00 0.00 175.22 174.86 2dex s ARG 488 N -3.94 1.25 -0.12 1.99 1.81 0.06 -4.65 118.95 115.36 2dex s ARG 488 Ca 0.14 -0.71 -0.26 0.00 -1.72 0.00 0.00 55.73 53.18 2dex s ARG 488 Cb -0.04 -1.26 -0.02 0.00 -0.45 0.00 0.00 34.95 33.18 2dex s ARG 488 CO 0.08 0.33 0.83 -1.17 -0.68 0.00 0.00 175.30 174.69 2dex s LEU 489 N -0.76 4.23 -0.20 2.53 0.20 0.32 -1.60 118.68 123.41 2dex s LEU 489 Ca 0.05 1.26 -0.10 0.00 0.69 0.00 0.00 54.13 56.04 2dex s LEU 489 Cb -0.07 -3.27 -0.05 0.00 -0.43 0.00 0.00 46.19 42.37 2dex s LEU 489 CO 0.00 -0.32 0.12 -0.76 -0.29 0.00 0.00 176.35 175.10 2dex s LEU 490 N 1.70 4.17 -0.05 -0.68 1.43 0.10 -0.21 118.68 125.14 2dex s LEU 490 Ca 0.40 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 2dex s LEU 490 Cb -0.17 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 2dex s LEU 490 CO 0.16 0.18 -0.23 -0.76 0.23 0.00 0.00 176.35 175.93 2dex s LEU 491 N 0.37 2.03 0.31 1.79 1.43 -0.17 -1.98 118.68 122.46 2dex s LEU 491 Ca 0.08 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 2dex s LEU 491 Cb -0.11 -1.27 -0.13 0.00 0.03 0.00 0.00 46.19 44.71 2dex s LEU 491 CO -0.02 0.23 1.19 0.00 0.23 0.00 0.00 176.35 177.98 2dex n ALA 492 N 2.96 0.63 -3.41 4.21 0.00 -0.76 -0.75 120.51 123.39 2dex n ALA 492 Ca -0.17 0.38 -0.17 0.00 0.00 0.00 0.00 53.44 53.48 2dex n ALA 492 Cb 0.52 -2.16 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 2dex n ALA 492 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dex s SER 493 N -0.34 1.51 0.32 0.00 0.15 0.28 -4.78 113.70 110.85 2dex s SER 493 Ca 0.58 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.67 2dex s SER 493 Cb -0.63 0.53 0.55 0.00 -1.71 0.00 0.00 66.02 64.76 2dex s SER 493 CO 0.60 -0.37 1.91 -0.65 1.20 0.00 0.00 173.24 175.93 2dex h PRO 494 N 8.27 0.74 -0.59 5.44 0.11 -1.72 -1.77 132.00 142.48 2dex h PRO 494 Ca -0.15 -0.11 0.12 0.00 0.11 0.00 0.00 66.00 65.97 2dex h PRO 494 Cb 1.10 -0.13 -0.10 0.00 0.11 0.00 0.00 31.00 31.98 2dex h PRO 494 CO 0.32 0.61 -0.00 -0.09 -0.21 0.00 0.00 178.00 178.63 2dex h ARG 495 N 0.73 0.11 -0.70 1.05 2.43 -1.90 -0.92 114.38 115.18 2dex h ARG 495 Ca 0.17 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2dex h ARG 495 Cb 0.16 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2dex h ARG 495 CO -0.02 0.07 0.24 1.03 -1.51 0.00 0.00 179.97 179.79 2dex h SER 496 N 0.11 0.98 0.01 -3.80 0.87 -1.86 -1.26 113.55 108.60 2dex h SER 496 Ca 0.30 -0.17 -0.26 0.00 -1.23 0.00 0.00 61.79 60.44 2dex h SER 496 Cb 0.48 -0.26 0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2dex h SER 496 CO -0.50 0.90 -1.01 0.00 -0.53 0.00 0.00 176.83 175.69 2dex h TYR 498 N 0.40 1.10 -0.17 0.00 -1.99 -1.11 -1.35 116.97 113.85 2dex h TYR 498 Ca -0.12 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.59 2dex h TYR 498 Cb 1.66 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 40.03 2dex h TYR 498 CO 0.10 0.77 0.10 -0.22 -0.00 0.00 0.00 178.16 178.91 2dex h LYS 499 N 1.12 0.21 -0.08 4.88 3.64 -1.06 -0.31 116.57 124.97 2dex h LYS 499 Ca 0.28 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 2dex h LYS 499 Cb 0.03 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2dex h LYS 499 CO -0.05 0.14 -0.03 1.25 -2.27 0.00 0.00 179.45 178.49 2dex h LEU 500 N 0.22 -0.10 -0.92 5.20 6.46 -0.83 -0.99 115.31 124.35 2dex h LEU 500 Ca 0.07 0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.75 2dex h LEU 500 Cb -0.01 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2dex h LEU 500 CO -0.03 -0.04 -0.35 -0.26 -0.62 0.00 0.00 178.44 177.15 2dex h PHE 501 N -0.02 0.43 -0.32 1.25 -1.00 -1.19 -1.70 116.94 114.39 2dex h PHE 501 Ca 0.04 -0.10 -0.05 0.00 2.81 0.00 0.00 57.97 60.66 2dex h PHE 501 Cb 0.08 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 2dex h PHE 501 CO -0.14 0.67 -0.01 0.37 -1.61 0.00 0.00 178.31 177.59 2dex h GLN 502 N 0.32 0.58 -0.63 1.51 5.75 -0.72 -0.46 115.11 121.46 2dex h GLN 502 Ca 0.04 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 2dex h GLN 502 Cb 0.76 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.23 2dex h GLN 502 CO 0.06 0.72 0.41 0.93 -2.65 0.00 0.00 178.83 178.30 2dex h GLU 503 N 0.37 0.83 -0.42 1.69 5.08 -1.05 0.20 114.58 121.29 2dex h GLU 503 Ca 0.09 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2dex h GLU 503 Cb 0.46 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2dex h GLU 503 CO 0.02 0.56 0.27 0.37 -1.00 0.00 0.00 179.01 179.23 2dex h GLN 504 N 0.85 0.52 -0.26 2.33 5.75 -1.22 -0.87 115.11 122.21 2dex h GLN 504 Ca 0.23 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 2dex h GLN 504 Cb -0.08 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 2dex h GLN 504 CO -0.05 0.35 0.14 0.37 -2.65 0.00 0.00 178.83 176.99 2dex h GLN 505 N 0.54 0.37 -0.43 1.69 4.15 -0.73 -0.86 115.11 119.84 2dex h GLN 505 Ca 0.16 -0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.66 2dex h GLN 505 Cb -0.03 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 2dex h GLN 505 CO -0.05 0.34 0.32 -0.91 -1.93 0.00 0.00 178.83 176.59 2dex h ASN 506 N 0.31 0.00 -0.34 -0.69 2.35 -0.33 -0.01 115.58 116.87 2dex h ASN 506 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2dex h ASN 506 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2dex h ASN 506 CO -0.01 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.15 2dex n GLU 507 N -4.37 2.09 0.00 0.81 -0.58 -0.36 -4.94 120.64 113.30 2dex n GLU 507 Ca 0.07 -1.66 0.00 0.00 -0.42 0.00 0.00 57.16 55.15 2dex n GLU 507 Cb 0.51 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 2dex n GLU 507 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dex n GLY 508 N 1.29 1.00 1.29 0.62 0.00 -0.02 -4.99 105.19 104.38 2dex n GLY 508 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 2dex n GLY 508 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dex n HIS 509 N -2.00 1.43 0.30 1.61 8.25 -0.37 -4.69 115.22 119.75 2dex n HIS 509 Ca 0.00 -1.04 0.16 0.00 -0.26 0.00 0.00 57.72 56.58 2dex n HIS 509 Cb 0.00 -0.45 0.78 0.00 1.12 0.00 0.00 29.99 31.44 2dex n HIS 509 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2dex h GLY 510 N 2.13 0.00 1.36 -1.41 0.00 -1.77 0.20 103.07 103.58 2dex h GLY 510 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2dex h GLY 510 CO 0.39 0.00 -0.39 -2.21 0.00 0.00 0.00 176.54 174.33 2dex n GLU 511 N -3.01 0.13 -1.86 4.80 4.07 -1.26 -0.95 120.64 122.56 2dex n GLU 511 Ca -0.00 0.05 -0.39 0.00 -0.06 0.00 0.00 57.16 56.76 2dex n GLU 511 Cb 0.44 -1.60 0.02 0.00 -0.06 0.00 0.00 31.44 30.24 2dex n GLU 511 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2dex s ALA 512 N -3.07 3.12 -0.26 4.31 0.00 0.71 -4.64 121.76 121.92 2dex s ALA 512 Ca 0.10 1.37 -0.09 0.00 0.00 0.00 0.00 51.96 53.34 2dex s ALA 512 Cb 0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2dex s ALA 512 CO 0.66 -1.15 0.12 -0.51 0.00 0.00 0.00 175.76 174.88 2dex s LEU 513 N -2.90 3.68 0.18 0.00 1.43 -1.26 -1.29 118.68 118.52 2dex s LEU 513 Ca 0.63 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 2dex s LEU 513 Cb -0.41 -2.01 -0.08 0.00 0.03 0.00 0.00 46.19 43.72 2dex s LEU 513 CO 0.52 -0.04 1.22 -0.22 0.23 0.00 0.00 176.35 178.06 2dex s LEU 514 N 1.67 4.44 0.00 1.79 0.20 0.14 -3.18 118.68 123.74 2dex s LEU 514 Ca 0.07 2.26 0.00 0.00 0.69 0.00 0.00 54.13 57.15 2dex s LEU 514 Cb -0.15 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.00 2dex s LEU 514 CO 0.07 -0.41 0.00 0.49 -0.29 0.00 0.00 176.35 176.20 2dex n PHE 515 N 2.62 0.00 -1.68 5.38 3.72 0.42 -1.88 117.46 126.03 2dex n PHE 515 Ca 0.05 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.01 2dex n PHE 515 Cb 0.44 -0.35 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 2dex n PHE 515 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2dex n GLU 516 N -2.88 2.12 -0.14 -1.08 -0.58 -1.19 -2.67 120.64 114.22 2dex n GLU 516 Ca 0.00 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 2dex n GLU 516 Cb 0.00 -2.41 0.00 0.00 -0.57 0.00 0.00 31.44 28.46 2dex n GLU 516 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dex n GLY 517 N 1.95 0.58 3.46 0.62 0.00 -1.26 -4.76 105.19 105.78 2dex n GLY 517 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2dex n GLY 517 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dex s ILE 518 N -2.32 4.78 0.00 -0.61 -1.09 -1.09 -5.02 121.20 115.85 2dex s ILE 518 Ca 0.00 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 2dex s ILE 518 Cb 0.00 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 2dex s ILE 518 CO 0.00 0.04 0.36 0.29 -1.23 0.00 0.00 174.94 174.41 2dex n LYS 519 N 5.01 0.00 -3.91 2.79 5.02 -1.26 -3.84 118.16 121.97 2dex n LYS 519 Ca -0.13 0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 56.23 2dex n LYS 519 Cb 0.49 -0.56 -0.13 0.00 -0.02 0.00 0.00 35.03 34.81 2dex n LYS 519 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2dex s LYS 520 N -2.65 2.29 -0.25 1.97 1.02 -1.26 -5.03 119.74 115.83 2dex s LYS 520 Ca 0.00 -3.05 -0.26 0.00 0.02 0.00 0.00 55.97 52.68 2dex s LYS 520 Cb 0.00 -3.40 0.08 0.00 -0.52 0.00 0.00 37.83 33.99 2dex s LYS 520 CO 0.00 -1.21 0.75 0.21 -0.92 0.00 0.00 175.35 174.18 2dex s LYS 521 N -0.98 0.82 -0.24 1.68 2.36 -1.25 -5.11 119.74 117.03 2dex s LYS 521 Ca 0.22 0.87 -0.28 0.00 -2.55 0.00 0.00 55.97 54.22 2dex s LYS 521 Cb -0.13 0.40 -0.04 0.00 -1.05 0.00 0.00 37.83 37.01 2dex s LYS 521 CO -0.10 -0.12 2.05 0.21 1.55 0.00 0.00 175.35 178.94 2dex s LYS 522 N 0.19 3.28 0.42 4.03 2.20 -1.26 -4.98 119.74 123.62 2dex s LYS 522 Ca -0.01 1.86 -0.25 0.00 -0.36 0.00 0.00 55.97 57.21 2dex s LYS 522 Cb -0.04 -4.29 -0.08 0.00 -1.51 0.00 0.00 37.83 31.90 2dex s LYS 522 CO 0.01 -1.93 1.18 -0.65 -0.36 0.00 0.00 175.35 173.60 2dex s GLN 523 N 5.95 3.95 -0.02 4.03 -1.52 -1.26 -4.90 119.66 125.90 2dex s GLN 523 Ca 0.92 1.85 0.01 0.00 -1.95 0.00 0.00 55.36 56.19 2dex s GLN 523 Cb -0.30 -2.60 0.01 0.00 -0.22 0.00 0.00 33.01 29.90 2dex s GLN 523 CO 0.35 -0.41 -0.03 -0.65 -0.25 0.00 0.00 175.29 174.29 2dex s GLN 524 N -2.41 0.50 0.28 2.91 -0.21 -0.79 -4.97 119.66 114.96 2dex s GLN 524 Ca 0.59 -0.08 -0.25 0.00 0.02 0.00 0.00 55.36 55.64 2dex s GLN 524 Cb -0.31 -0.54 -0.09 0.00 1.00 0.00 0.00 33.01 33.07 2dex s GLN 524 CO 0.38 -0.02 0.88 0.15 -2.12 0.00 0.00 175.29 174.56 2dex s LYS 525 N 0.50 4.52 0.23 2.91 1.02 -1.26 0.27 119.74 127.93 2dex s LYS 525 Ca -0.06 1.21 -0.10 0.00 0.02 0.00 0.00 55.97 57.05 2dex s LYS 525 Cb -0.09 -2.90 0.35 0.00 -0.52 0.00 0.00 37.83 34.67 2dex s LYS 525 CO -0.00 0.35 1.64 0.82 -0.92 0.00 0.00 175.35 177.24 2dex h ILE 526 N 2.74 0.39 -0.74 2.17 2.04 -1.06 0.00 117.51 123.06 2dex h ILE 526 Ca -0.47 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.45 2dex h ILE 526 Cb 1.19 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2dex h ILE 526 CO 0.65 0.02 0.49 0.07 0.00 0.00 0.00 178.15 179.38 2dex h LYS 527 N 0.08 0.66 0.06 2.37 2.10 -1.35 -0.95 116.57 119.54 2dex h LYS 527 Ca 0.36 -0.04 -0.26 0.00 -2.00 0.00 0.00 60.65 58.72 2dex h LYS 527 Cb 0.60 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.77 2dex h LYS 527 CO -0.62 0.43 -1.24 -0.91 -2.00 0.00 0.00 179.45 175.11 2dex h ASN 528 N 0.68 0.20 0.40 7.07 2.35 -1.32 -1.90 115.58 123.05 2dex h ASN 528 Ca 0.34 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2dex h ASN 528 Cb 0.42 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2dex h ASN 528 CO -0.12 1.19 -0.22 0.40 -1.65 0.00 0.00 177.43 177.03 2dex h ILE 529 N 0.03 0.54 -0.86 2.81 2.04 -0.77 -2.28 117.51 119.02 2dex h ILE 529 Ca -0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.78 2dex h ILE 529 Cb 1.90 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 2dex h ILE 529 CO 0.15 0.00 0.55 -0.07 0.00 0.00 0.00 178.15 178.78 2dex h LEU 530 N -0.58 0.90 -0.05 1.44 4.07 -1.20 -2.44 115.31 117.45 2dex h LEU 530 Ca -0.05 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2dex h LEU 530 Cb 0.47 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2dex h LEU 530 CO 0.06 0.61 0.00 -1.54 -1.08 0.00 0.00 178.44 176.49 2dex n SER 531 N -4.56 0.15 -4.57 -0.43 3.41 -0.72 -4.67 113.62 102.23 2dex n SER 531 Ca 0.11 0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 58.83 2dex n SER 531 Cb 0.11 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 2dex n SER 531 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2dex s ASN 532 N -3.27 5.85 0.26 4.04 3.84 -0.86 -4.86 114.94 119.93 2dex s ASN 532 Ca 0.11 0.31 0.11 0.00 0.21 0.00 0.00 52.86 53.60 2dex s ASN 532 Cb 0.15 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.59 2dex s ASN 532 CO 0.45 -1.93 1.56 0.11 -2.79 0.00 0.00 177.10 174.51 2dex h LYS 533 N 12.28 0.00 -0.20 0.43 1.57 -1.87 -2.15 116.57 126.63 2dex h LYS 533 Ca -0.27 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.33 2dex h LYS 533 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2dex h LYS 533 CO 1.19 0.65 -0.55 1.15 -0.57 0.00 0.00 179.45 181.32 2dex h THR 534 N 0.00 1.31 -0.70 -0.16 2.02 -1.98 -1.19 112.91 112.20 2dex h THR 534 Ca -0.01 -1.77 -0.00 0.00 0.77 0.00 0.00 66.41 65.40 2dex h THR 534 Cb 1.20 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.46 2dex h THR 534 CO 0.08 0.56 0.43 0.25 0.37 0.00 0.00 175.52 177.21 2dex h LEU 535 N 0.44 0.84 -0.58 2.58 6.46 -1.92 -0.47 115.31 122.66 2dex h LEU 535 Ca -0.01 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2dex h LEU 535 Cb 1.17 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.86 2dex h LEU 535 CO 0.12 0.66 0.35 -0.09 -0.62 0.00 0.00 178.44 178.86 2dex h ARG 536 N 0.96 0.78 0.03 1.25 2.43 -1.36 -0.74 114.38 117.73 2dex h ARG 536 Ca 0.25 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2dex h ARG 536 Cb -0.03 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2dex h ARG 536 CO -0.05 0.56 -0.01 0.93 -1.51 0.00 0.00 179.97 179.89 2dex h GLU 537 N 0.78 -0.03 -0.37 0.20 5.08 -0.88 -0.15 114.58 119.21 2dex h GLU 537 Ca 0.21 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 2dex h GLU 537 Cb -0.03 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 2dex h GLU 537 CO -0.04 -0.01 -0.21 0.45 -1.00 0.00 0.00 179.01 178.20 2dex h HIS 538 N -0.05 -0.54 0.00 4.33 3.86 -0.97 -1.87 115.15 119.91 2dex h HIS 538 Ca -0.00 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2dex h HIS 538 Cb 0.04 0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 2dex h HIS 538 CO -0.07 -0.29 -0.10 -0.91 0.86 0.00 0.00 177.93 177.41 2dex h ASN 539 N -0.16 0.00 -0.30 2.45 2.35 -0.99 -1.32 115.58 117.62 2dex h ASN 539 Ca 0.18 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.76 2dex h ASN 539 Cb 0.44 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 2dex h ASN 539 CO -0.46 0.10 -0.48 -1.28 -1.65 0.00 0.00 177.43 173.67 2dex h SER 540 N 0.00 0.94 -0.29 5.81 0.87 -0.56 -0.14 113.55 120.18 2dex h SER 540 Ca -0.00 -0.52 -0.07 0.00 -1.23 0.00 0.00 61.79 59.97 2dex h SER 540 Cb 0.69 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2dex h SER 540 CO 0.01 1.27 -0.10 0.15 -0.53 0.00 0.00 176.83 177.64 2dex h PHE 541 N 0.63 0.65 -0.22 2.24 3.04 -0.96 -2.14 116.94 120.19 2dex h PHE 541 Ca 0.03 -0.15 0.03 0.00 3.98 0.00 0.00 57.97 61.86 2dex h PHE 541 Cb 1.08 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.41 2dex h PHE 541 CO 0.07 0.79 0.03 0.28 -2.02 0.00 0.00 178.31 177.47 2dex h VAL 542 N 0.32 0.89 -1.01 1.41 2.07 -1.27 -1.19 116.25 117.48 2dex h VAL 542 Ca 0.07 -0.04 0.22 0.00 0.82 0.00 0.00 66.70 67.77 2dex h VAL 542 Cb 0.60 0.76 -0.11 0.00 -1.52 0.00 0.00 31.29 31.02 2dex h VAL 542 CO 0.03 0.02 0.61 -0.08 0.02 0.00 0.00 177.57 178.18 2dex h GLU 543 N 0.12 0.61 -0.37 1.57 4.81 -0.92 0.15 114.58 120.55 2dex h GLU 543 Ca 0.10 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2dex h GLU 543 Cb 0.10 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2dex h GLU 543 CO -0.14 0.40 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.42 2dex h ARG 544 N 0.63 0.67 -0.58 1.92 9.65 -0.69 0.18 114.38 126.15 2dex h ARG 544 Ca 0.60 -0.23 -0.03 0.00 -1.10 0.00 0.00 59.98 59.22 2dex h ARG 544 Cb 1.12 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 2dex h ARG 544 CO -0.39 0.79 0.25 0.00 2.80 0.00 0.00 179.97 183.42 2dex h ILE 546 N 0.79 1.32 -0.81 0.00 2.04 -0.69 -3.03 117.51 117.14 2dex h ILE 546 Ca 0.20 -1.40 0.08 0.00 1.00 0.00 0.00 64.86 64.73 2dex h ILE 546 Cb 0.16 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 2dex h ILE 546 CO -0.02 0.44 0.53 0.44 0.00 0.00 0.00 178.15 179.53 2dex h ASP 547 N 0.25 0.73 -0.32 1.72 3.32 -0.56 0.59 116.42 122.15 2dex h ASP 547 Ca 0.03 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.15 2dex h ASP 547 Cb 0.79 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 2dex h ASP 547 CO 0.06 0.45 0.04 -0.25 -1.72 0.00 0.00 179.24 177.82 2dex h TRP 548 N 0.82 0.05 -0.20 4.55 2.91 -1.20 -2.47 115.95 120.41 2dex h TRP 548 Ca 0.36 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.30 2dex h TRP 548 Cb 0.33 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.99 2dex h TRP 548 CO -0.00 -0.02 -0.32 -0.91 -1.03 0.00 0.00 178.44 176.16 2dex h ASN 549 N 0.14 0.42 -0.27 2.65 2.35 -1.17 -2.25 115.58 117.45 2dex h ASN 549 Ca 0.16 -0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 2dex h ASN 549 Cb 0.19 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 2dex h ASN 549 CO -0.23 0.72 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.11 2dex h ARG 550 N 0.36 -0.02 -0.08 0.81 2.43 -0.56 0.98 114.38 118.30 2dex h ARG 550 Ca 0.04 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 2dex h ARG 550 Cb 0.74 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2dex h ARG 550 CO 0.06 -0.01 -0.63 0.93 -1.51 0.00 0.00 179.97 178.80 2dex h GLU 551 N -0.02 0.29 0.24 0.20 4.39 -1.31 0.41 114.58 118.78 2dex h GLU 551 Ca 0.13 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2dex h GLU 551 Cb 0.21 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2dex h GLU 551 CO -0.28 0.83 -0.11 1.25 -1.16 0.00 0.00 179.01 179.53 2dex h LEU 552 N 0.21 -0.27 -0.97 1.33 5.85 -1.15 -1.18 115.31 119.13 2dex h LEU 552 Ca -0.01 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2dex h LEU 552 Cb 1.16 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 2dex h LEU 552 CO 0.10 -0.13 0.63 -0.07 -0.34 0.00 0.00 178.44 178.63 2dex h LEU 553 N -0.38 1.02 -0.05 2.25 3.38 -0.72 -0.24 115.31 120.57 2dex h LEU 553 Ca -0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2dex h LEU 553 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2dex h LEU 553 CO 0.05 0.67 -0.01 0.11 0.09 0.00 0.00 178.44 179.36 2dex h LYS 554 N 1.17 0.01 0.30 1.13 1.57 -0.73 -0.45 116.57 119.57 2dex h LYS 554 Ca 0.41 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2dex h LYS 554 Cb 0.10 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2dex h LYS 554 CO -0.15 0.01 -0.14 -0.09 -0.57 0.00 0.00 179.45 178.50 2dex h ARG 555 N 0.01 -0.39 0.00 3.15 2.43 -1.01 -0.29 114.38 118.28 2dex h ARG 555 Ca 0.02 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2dex h ARG 555 Cb 0.03 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2dex h ARG 555 CO -0.05 -0.18 -0.26 0.93 -1.51 0.00 0.00 179.97 178.90 2dex h GLU 556 N -0.52 0.00 -0.01 0.20 4.39 -1.02 -3.18 114.58 114.43 2dex h GLU 556 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2dex h GLU 556 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2dex h GLU 556 CO 0.07 0.26 -0.09 1.28 -1.16 0.00 0.00 179.01 179.37 2dex n LEU 557 N -3.22 1.58 -1.95 1.33 4.32 -0.18 -4.94 117.00 113.95 2dex n LEU 557 Ca 0.02 -0.90 -0.14 0.00 -0.02 0.00 0.00 56.01 54.97 2dex n LEU 557 Cb 0.58 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.40 2dex n LEU 557 CO 0.36 0.31 -0.02 0.61 -1.22 0.00 0.00 177.39 177.43 2dex n GLY 558 N 0.73 -0.09 3.86 -0.72 0.00 -0.22 -4.60 105.19 104.14 2dex n GLY 558 Ca 0.05 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2dex n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dex s LEU 559 N -4.35 4.14 0.40 0.99 1.43 -0.62 -4.96 118.68 115.71 2dex s LEU 559 Ca 0.17 1.14 0.08 0.00 -1.03 0.00 0.00 54.13 54.49 2dex s LEU 559 Cb -0.08 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 2dex s LEU 559 CO 0.22 -0.12 0.37 0.00 0.23 0.00 0.00 176.35 177.04 2dex s ALA 560 N -1.85 4.03 0.42 4.21 0.00 -1.26 -4.74 121.76 122.57 2dex s ALA 560 Ca 0.50 -1.82 0.13 0.00 0.00 0.00 0.00 51.96 50.76 2dex s ALA 560 Cb -0.11 -1.08 0.99 0.00 0.00 0.00 0.00 23.12 22.92 2dex s ALA 560 CO 0.19 -0.17 1.96 0.93 0.00 0.00 0.00 175.76 178.67 2dex h GLU 561 N 1.06 0.45 0.00 0.00 4.39 -1.99 -0.98 114.58 117.52 2dex h GLU 561 Ca -0.42 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2dex h GLU 561 Cb 1.26 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2dex h GLU 561 CO 0.57 0.30 0.00 -1.13 -1.16 0.00 0.00 179.01 177.59 2dex n SER 562 N -4.48 0.39 -0.08 1.42 3.41 -1.26 -1.20 113.62 111.83 2dex n SER 562 Ca 0.11 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 2dex n SER 562 Cb 0.38 -0.69 0.49 0.00 -0.26 0.00 0.00 64.21 64.13 2dex n SER 562 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dex n ASP 563 N -1.95 0.45 -4.34 4.04 8.00 -0.37 -4.94 116.55 117.44 2dex n ASP 563 Ca 0.02 -0.31 -0.32 0.00 0.71 0.00 0.00 54.79 54.89 2dex n ASP 563 Cb 0.17 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.07 2dex n ASP 563 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2dex s ILE 564 N -2.72 2.54 -0.11 0.53 1.01 -0.34 -0.52 121.20 121.60 2dex s ILE 564 Ca 0.21 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 60.01 2dex s ILE 564 Cb 0.19 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2dex s ILE 564 CO 0.55 0.56 -0.23 -0.63 0.00 0.00 0.00 174.94 175.19 2dex s ILE 565 N -0.11 2.11 -0.09 2.92 1.01 0.70 -4.95 121.20 122.79 2dex s ILE 565 Ca -0.04 -1.00 -0.22 0.00 0.00 0.00 0.00 60.65 59.40 2dex s ILE 565 Cb -0.14 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 2dex s ILE 565 CO 0.04 0.56 0.64 -1.81 0.00 0.00 0.00 174.94 174.36 2dex s ASP 566 N 0.41 6.88 -0.23 3.58 -0.00 -1.26 -1.00 116.67 125.05 2dex s ASP 566 Ca -0.17 1.06 -0.09 0.00 -0.00 0.00 0.00 52.55 53.35 2dex s ASP 566 Cb -0.18 -2.37 -0.04 0.00 -0.00 0.00 0.00 42.92 40.33 2dex s ASP 566 CO 0.07 -0.10 0.12 -0.63 -0.00 0.00 0.00 175.17 174.63 2dex s ILE 567 N 0.87 5.04 0.13 0.77 -1.09 0.07 -4.93 121.20 122.06 2dex s ILE 567 Ca 0.34 0.07 -0.31 0.00 -2.23 0.00 0.00 60.65 58.51 2dex s ILE 567 Cb -0.17 -3.33 -0.10 0.00 -1.58 0.00 0.00 42.46 37.28 2dex s ILE 567 CO 0.15 0.37 1.76 -2.16 -1.23 0.00 0.00 174.94 173.83 2dex s PRO 568 N 1.01 4.15 -0.29 2.79 0.04 -1.26 -0.56 135.00 140.88 2dex s PRO 568 Ca 0.06 2.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.53 2dex s PRO 568 Cb -0.14 -3.47 0.12 0.00 0.04 0.00 0.00 34.50 31.05 2dex s PRO 568 CO 0.04 -0.79 0.64 -1.14 0.04 0.00 0.00 177.00 175.78 2dex s GLN 569 N 2.34 0.59 0.15 4.56 2.00 -0.68 -4.79 119.66 123.83 2dex s GLN 569 Ca 0.78 1.38 -0.05 0.00 -2.00 0.00 0.00 55.36 55.47 2dex s GLN 569 Cb -0.45 0.70 -0.06 0.00 0.80 0.00 0.00 33.01 34.00 2dex s GLN 569 CO 0.35 -0.19 0.39 -0.51 -0.50 0.00 0.00 175.29 174.83 2dex s LEU 570 N 2.64 4.26 0.29 3.68 1.02 -1.26 -2.21 118.68 127.09 2dex s LEU 570 Ca -0.07 0.63 0.03 0.00 0.02 0.00 0.00 54.13 54.75 2dex s LEU 570 Cb -0.11 -3.34 -0.06 0.00 0.02 0.00 0.00 46.19 42.71 2dex s LEU 570 CO -0.19 0.04 0.05 -0.36 0.02 0.00 0.00 176.35 175.91 2dex s PHE 571 N -1.66 1.81 0.02 0.29 0.40 -1.26 -0.95 117.98 116.62 2dex s PHE 571 Ca 0.41 -0.97 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 2dex s PHE 571 Cb -0.12 -1.13 -0.02 0.00 0.51 0.00 0.00 43.02 42.26 2dex s PHE 571 CO 0.24 -0.04 -0.03 -1.59 0.70 0.00 0.00 175.22 174.49 2dex s LYS 572 N -3.90 0.29 0.04 0.44 -2.85 0.15 -4.61 119.74 109.30 2dex s LYS 572 Ca 0.35 -0.55 -0.18 0.00 -1.00 0.00 0.00 55.97 54.59 2dex s LYS 572 Cb 0.08 0.07 -0.06 0.00 -2.06 0.00 0.00 37.83 35.86 2dex s LYS 572 CO 0.14 -0.04 0.51 -0.51 0.10 0.00 0.00 175.35 175.55 2dex s LEU 573 N -1.31 4.49 0.00 2.77 1.43 -1.26 -0.53 118.68 124.28 2dex s LEU 573 Ca -0.14 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2dex s LEU 573 Cb -0.09 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.35 2dex s LEU 573 CO -0.01 0.27 0.00 0.29 0.23 0.00 0.00 176.35 177.13 2dex n LYS 574 N 1.89 0.00 -1.76 1.70 5.02 -0.19 -4.88 118.16 119.93 2dex n LYS 574 Ca -0.11 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.76 2dex n LYS 574 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.49 2dex n LYS 574 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dex s GLU 575 N 3.22 4.14 -1.83 1.97 2.02 -1.26 -0.98 118.70 125.99 2dex s GLU 575 Ca 0.00 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.55 2dex s GLU 575 Cb 0.00 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.98 2dex s GLU 575 CO 0.00 -0.76 0.00 1.19 0.02 0.00 0.00 175.26 175.71 2dex n PHE 576 N 4.51 -0.72 -2.22 1.61 3.72 -1.26 -2.20 117.46 120.90 2dex n PHE 576 Ca 0.16 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.36 2dex n PHE 576 Cb 0.37 -3.66 -0.03 0.00 -0.94 0.00 0.00 39.48 35.22 2dex n PHE 576 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2dex n SER 577 N -1.74 -5.59 -4.82 4.37 7.64 -0.15 -4.97 113.62 108.36 2dex n SER 577 Ca -0.22 0.11 -0.37 0.00 1.01 0.00 0.00 58.87 59.40 2dex n SER 577 Cb 0.67 -4.73 -0.06 0.00 -1.01 0.00 0.00 64.21 59.08 2dex n SER 577 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dex s LYS 578 N -4.75 4.12 0.15 1.43 -0.14 -0.93 -4.66 119.74 114.96 2dex s LYS 578 Ca 0.00 0.65 -0.22 0.00 -1.36 0.00 0.00 55.97 55.04 2dex s LYS 578 Cb 0.00 -3.12 -0.08 0.00 -1.68 0.00 0.00 37.83 32.96 2dex s LYS 578 CO 0.00 0.58 0.70 0.00 -0.76 0.00 0.00 175.35 175.87 2dex s ALA 579 N -1.25 3.48 0.05 5.17 0.00 -0.59 -1.02 121.76 127.61 2dex s ALA 579 Ca 0.32 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.50 2dex s ALA 579 Cb -0.18 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 2dex s ALA 579 CO 0.19 0.34 -0.05 -1.21 0.00 0.00 0.00 175.76 175.02 2dex s GLU 580 N -1.34 0.59 0.12 0.00 2.02 0.31 -1.17 118.70 119.22 2dex s GLU 580 Ca 0.35 -1.00 -0.31 0.00 0.02 0.00 0.00 54.97 54.04 2dex s GLU 580 Cb -0.20 -0.06 -0.07 0.00 0.10 0.00 0.00 34.13 33.90 2dex s GLU 580 CO 0.23 -0.03 1.28 0.00 0.02 0.00 0.00 175.26 176.76 2dex s ALA 581 N -2.66 3.49 0.03 5.21 0.00 -1.26 -0.67 121.76 125.90 2dex s ALA 581 Ca -0.01 0.99 -0.18 0.00 0.00 0.00 0.00 51.96 52.76 2dex s ALA 581 Cb -0.01 -3.48 -0.20 0.00 0.00 0.00 0.00 23.12 19.43 2dex s ALA 581 CO -0.04 -0.50 1.19 0.35 0.00 0.00 0.00 175.76 176.76 2dex h PHE 582 N 6.33 0.68 -2.92 0.00 3.04 -1.31 -3.45 116.94 119.32 2dex h PHE 582 Ca -0.43 -0.32 -0.45 0.00 3.98 0.00 0.00 57.97 60.75 2dex h PHE 582 Cb 1.21 -0.10 -0.14 0.00 2.56 0.00 0.00 35.95 39.49 2dex h PHE 582 CO 0.65 1.11 -0.65 -0.59 -2.02 0.00 0.00 178.31 176.81 2dex s PHE 583 N -3.52 1.83 -0.45 0.41 -0.12 -1.26 -5.02 117.98 109.85 2dex s PHE 583 Ca -0.13 -0.85 -0.46 0.00 -0.05 0.00 0.00 56.93 55.45 2dex s PHE 583 Cb 0.05 -1.10 -0.20 0.00 -0.63 0.00 0.00 43.02 41.15 2dex s PHE 583 CO 0.83 0.10 1.58 -2.30 -0.05 0.00 0.00 175.22 175.38 2dex n PRO 584 N -0.56 0.12 -1.95 1.99 -0.02 -1.26 -4.75 135.00 128.57 2dex n PRO 584 Ca -0.04 0.05 -0.27 0.00 -2.02 0.00 0.00 63.50 61.21 2dex n PRO 584 Cb 0.64 -1.56 -0.05 0.00 -0.02 0.00 0.00 33.50 32.51 2dex n PRO 584 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2dex s ASN 585 N 2.87 4.95 0.54 2.55 3.84 -1.26 -4.62 114.94 123.81 2dex s ASN 585 Ca 1.03 -0.30 0.30 0.00 0.21 0.00 0.00 52.86 54.11 2dex s ASN 585 Cb -1.44 -2.55 1.54 0.00 -0.55 0.00 0.00 41.25 38.25 2dex s ASN 585 CO 0.79 -2.85 2.09 0.24 -2.79 0.00 0.00 177.10 174.58 2dex h MET 586 N 12.56 0.00 0.00 0.43 2.86 -1.85 -1.12 114.93 127.82 2dex h MET 586 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2dex h MET 586 Cb 1.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 2dex h MET 586 CO 1.18 0.09 -0.13 -0.24 1.06 0.00 0.00 176.91 178.87 2dex h VAL 587 N 0.00 0.33 -0.28 -2.22 3.04 -1.90 -3.32 116.25 111.90 2dex h VAL 587 Ca -0.00 -0.86 -0.71 0.00 -1.01 0.00 0.00 66.70 64.12 2dex h VAL 587 Cb 0.33 1.66 -0.04 0.00 -2.01 0.00 0.00 31.29 31.23 2dex h VAL 587 CO 0.01 0.13 3.16 -3.20 -1.01 0.00 0.00 177.57 176.66 2dex n ASN 588 N -3.28 5.95 -4.73 3.17 2.85 -0.42 -4.52 115.26 114.27 2dex n ASN 588 Ca 0.00 -2.82 -0.23 0.00 -0.11 0.00 0.00 54.58 51.43 2dex n ASN 588 Cb 0.38 -1.58 -0.06 0.00 1.24 0.00 0.00 39.78 39.76 2dex n ASN 588 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dex s MET 589 N 2.13 2.47 -0.25 1.20 0.23 -1.25 -1.28 119.30 122.55 2dex s MET 589 Ca 0.54 -1.40 -0.11 0.00 -1.03 0.00 0.00 55.69 53.69 2dex s MET 589 Cb 0.15 -2.26 -0.05 0.00 -1.53 0.00 0.00 34.83 31.14 2dex s MET 589 CO -0.07 0.25 0.17 -1.17 -2.03 0.00 0.00 175.02 172.16 2dex s LEU 590 N -3.80 4.07 -0.41 0.18 2.96 0.03 -4.25 118.68 117.46 2dex s LEU 590 Ca 0.35 0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 2dex s LEU 590 Cb -0.05 -2.10 0.08 0.00 0.50 0.00 0.00 46.19 44.62 2dex s LEU 590 CO 0.22 0.03 0.23 -0.69 -1.32 0.00 0.00 176.35 174.83 2dex s VAL 591 N 1.26 3.97 -0.84 1.68 1.01 -1.26 -0.32 120.40 125.90 2dex s VAL 591 Ca 0.07 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.54 2dex s VAL 591 Cb -0.14 -3.47 0.21 0.00 0.00 0.00 0.00 36.38 32.98 2dex s VAL 591 CO 0.06 -0.51 0.72 0.18 0.00 0.00 0.00 175.10 175.55 2dex n LEU 592 N 4.84 3.90 0.00 3.92 4.32 0.12 -4.90 117.00 129.20 2dex n LEU 592 Ca -0.09 -5.17 0.00 0.00 -0.02 0.00 0.00 56.01 50.73 2dex n LEU 592 Cb 0.43 -0.99 0.00 0.00 -1.62 0.00 0.00 43.42 41.23 2dex n LEU 592 CO 0.37 1.64 0.00 0.61 -1.22 0.00 0.00 177.39 178.79 2dex n GLY 593 N 2.14 3.57 0.00 -0.72 0.00 -1.26 -1.12 105.19 107.80 2dex n GLY 593 Ca 0.22 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.34 2dex n GLY 593 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dex n LYS 594 N 14.00 0.67 -3.42 1.61 4.76 -1.26 -4.71 118.16 129.81 2dex n LYS 594 Ca 0.00 0.01 -0.39 0.00 -2.87 0.00 0.00 58.31 55.06 2dex n LYS 594 Cb 0.00 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.60 2dex n LYS 594 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2dex s HIS 595 N -2.27 3.27 -0.13 2.13 3.76 -0.28 0.16 115.29 121.93 2dex s HIS 595 Ca 0.36 0.41 -0.01 0.00 -0.15 0.00 0.00 55.06 55.67 2dex s HIS 595 Cb 0.20 -2.53 -0.02 0.00 1.11 0.00 0.00 32.58 31.34 2dex s HIS 595 CO 0.38 -0.17 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.49 2dex s LEU 596 N 1.85 2.85 -0.54 0.89 1.43 -0.30 0.12 118.68 124.97 2dex s LEU 596 Ca 0.15 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 2dex s LEU 596 Cb -0.15 -1.65 0.13 0.00 0.03 0.00 0.00 46.19 44.55 2dex s LEU 596 CO 0.09 0.18 0.46 -0.83 0.23 0.00 0.00 176.35 176.48 2dex s GLY 597 N 0.30 2.13 -0.17 -3.19 0.00 0.57 -0.99 107.32 105.96 2dex s GLY 597 Ca -0.08 -2.63 -0.06 0.00 0.00 0.00 0.00 44.72 41.95 2dex s GLY 597 CO 0.05 1.17 0.03 -0.42 0.00 0.00 0.00 173.10 173.93 2dex s ILE 598 N 1.34 4.51 0.17 0.90 1.01 0.24 -0.79 121.20 128.59 2dex s ILE 598 Ca 0.06 -0.13 -0.33 0.00 0.00 0.00 0.00 60.65 60.24 2dex s ILE 598 Cb -0.27 -3.02 -0.14 0.00 0.01 0.00 0.00 42.46 39.04 2dex s ILE 598 CO 0.00 0.47 1.44 -0.81 0.00 0.00 0.00 174.94 176.04 2dex n PRO 599 N 3.51 1.83 -2.08 2.79 -0.04 -1.26 -0.47 135.00 139.28 2dex n PRO 599 Ca -0.17 0.66 -0.43 0.00 -0.04 0.00 0.00 63.50 63.52 2dex n PRO 599 Cb 0.52 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 2dex n PRO 599 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2dex s LYS 600 N 0.29 3.68 0.41 0.54 2.20 -0.16 -4.66 119.74 122.04 2dex s LYS 600 Ca 0.76 1.61 0.22 0.00 -0.36 0.00 0.00 55.97 58.20 2dex s LYS 600 Cb -0.74 -4.08 0.74 0.00 -1.51 0.00 0.00 37.83 32.25 2dex s LYS 600 CO 0.45 -1.44 1.75 -1.00 -0.36 0.00 0.00 175.35 174.75 2dex h PRO 601 N 11.27 0.00 -5.71 4.03 0.13 -1.90 -3.43 132.00 136.40 2dex h PRO 601 Ca -0.34 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.46 2dex h PRO 601 Cb 1.16 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.44 2dex h PRO 601 CO 1.01 0.26 -0.82 1.19 -0.23 0.00 0.00 178.00 179.41 2dex n PHE 602 N -3.35 -2.21 -2.15 1.56 3.01 -1.26 -4.35 117.46 108.71 2dex n PHE 602 Ca 0.01 0.86 -0.27 0.00 1.01 0.00 0.00 57.45 59.05 2dex n PHE 602 Cb 0.49 -4.52 0.13 0.00 -0.01 0.00 0.00 39.48 35.58 2dex n PHE 602 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2dex s GLY 603 N -3.97 1.74 0.19 1.37 0.00 -1.26 -0.44 107.32 104.95 2dex s GLY 603 Ca 0.19 -1.24 -0.33 0.00 0.00 0.00 0.00 44.72 43.34 2dex s GLY 603 CO 0.76 -0.62 1.63 -1.05 0.00 0.00 0.00 173.10 173.82 2dex n PRO 604 N -3.32 2.42 -3.09 2.90 -0.02 -1.21 -4.57 135.00 128.11 2dex n PRO 604 Ca 0.13 0.87 -0.41 0.00 -2.02 0.00 0.00 63.50 62.07 2dex n PRO 604 Cb 0.60 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 2dex n PRO 604 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dex s VAL 605 N 0.89 4.90 -0.04 -1.45 1.01 -1.26 -1.55 120.40 122.90 2dex s VAL 605 Ca 0.76 0.83 0.02 0.00 0.00 0.00 0.00 61.98 63.59 2dex s VAL 605 Cb -0.60 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 31.76 2dex s VAL 605 CO 0.37 -0.20 -0.08 -0.63 0.00 0.00 0.00 175.10 174.56 2dex s ILE 606 N 2.69 0.77 -1.53 2.22 1.09 -0.36 -4.72 121.20 121.36 2dex s ILE 606 Ca 0.26 -0.29 -0.03 0.00 -1.10 0.00 0.00 60.65 59.50 2dex s ILE 606 Cb -0.15 -0.73 0.02 0.00 -1.06 0.00 0.00 42.46 40.55 2dex s ILE 606 CO 0.13 0.27 0.22 -3.20 -0.10 0.00 0.00 174.94 172.25 2dex n ASN 607 N 3.76 0.13 0.00 3.58 5.15 -1.26 -2.01 115.26 124.62 2dex n ASN 607 Ca -0.23 -1.17 0.00 0.00 -0.60 0.00 0.00 54.58 52.58 2dex n ASN 607 Cb 0.52 -2.15 0.00 0.00 -0.53 0.00 0.00 39.78 37.62 2dex n ASN 607 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dex n GLY 608 N -2.22 0.88 3.03 8.20 0.00 -1.26 -5.00 105.19 108.81 2dex n GLY 608 Ca -0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2dex n GLY 608 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dex s ARG 609 N -0.07 0.17 -0.13 1.61 3.52 -0.85 -5.09 118.95 118.12 2dex s ARG 609 Ca 0.00 0.23 -0.36 0.00 -0.13 0.00 0.00 55.73 55.47 2dex s ARG 609 Cb 0.00 0.06 -0.13 0.00 -1.56 0.00 0.00 34.95 33.32 2dex s ARG 609 CO 0.00 -0.03 1.81 0.00 -0.81 0.00 0.00 175.30 176.27 2dex h LEU 612 N 0.00 0.04 -0.29 0.00 3.38 -1.89 0.47 115.31 117.03 2dex h LEU 612 Ca -0.00 -0.62 0.05 0.00 0.09 0.00 0.00 57.88 57.39 2dex h LEU 612 Cb 0.56 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2dex h LEU 612 CO 0.01 0.66 -0.01 -0.33 0.09 0.00 0.00 178.44 178.87 2dex h GLU 613 N -0.57 0.08 -0.33 1.13 5.08 -1.92 -0.20 114.58 117.84 2dex h GLU 613 Ca -0.00 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2dex h GLU 613 Cb 0.66 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 2dex h GLU 613 CO 0.01 0.05 -0.04 1.49 -1.00 0.00 0.00 179.01 179.52 2dex h GLU 614 N 0.08 0.05 -0.52 2.33 4.22 -1.22 0.07 114.58 119.59 2dex h GLU 614 Ca 0.14 -0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.59 2dex h GLU 614 Cb 0.18 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2dex h GLU 614 CO -0.24 0.03 0.32 -0.22 -2.18 0.00 0.00 179.01 176.73 2dex h LYS 615 N 0.05 0.63 -0.24 1.92 1.63 -0.46 -1.15 116.57 118.96 2dex h LYS 615 Ca 0.16 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2dex h LYS 615 Cb 0.23 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2dex h LYS 615 CO -0.30 0.42 0.06 0.28 -3.45 0.00 0.00 179.45 176.46 2dex h VAL 616 N 0.65 1.21 -0.44 2.00 2.07 -0.50 -2.19 116.25 119.05 2dex h VAL 616 Ca 0.20 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.12 2dex h VAL 616 Cb -0.02 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 2dex h VAL 616 CO -0.07 0.22 -0.02 0.00 0.02 0.00 0.00 177.57 177.71 2dex h SER 618 N 0.08 0.00 0.27 0.00 4.64 -0.91 0.20 113.55 117.82 2dex h SER 618 Ca 0.22 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.20 2dex h SER 618 Cb 0.32 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2dex h SER 618 CO -0.38 0.00 -1.63 -0.07 -0.87 0.00 0.00 176.83 173.88 2dex h LEU 619 N 0.00 0.65 0.00 5.97 3.38 -0.62 -3.41 115.31 121.29 2dex h LEU 619 Ca 0.02 -0.86 -0.37 0.00 0.09 0.00 0.00 57.88 56.76 2dex h LEU 619 Cb 0.07 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 2dex h LEU 619 CO -0.00 1.71 -2.37 0.18 0.09 0.00 0.00 178.44 178.05 2dex n LEU 620 N -3.61 0.58 -0.35 1.67 4.77 0.03 -4.44 117.00 115.65 2dex n LEU 620 Ca -0.21 -0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2dex n LEU 620 Cb 1.08 0.23 0.13 0.00 -2.33 0.00 0.00 43.42 42.53 2dex n LEU 620 CO 0.54 0.57 1.26 -0.33 -1.33 0.00 0.00 177.39 178.10 2dex h GLU 621 N 0.00 1.16 0.00 3.23 5.08 -0.75 -0.63 114.58 122.67 2dex h GLU 621 Ca -0.54 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2dex h GLU 621 Cb 2.18 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 31.17 2dex h GLU 621 CO 0.01 0.77 0.16 -1.35 -1.00 0.00 0.00 179.01 177.60 2dex h PRO 622 N 1.19 0.00 -0.01 2.33 0.11 -1.77 0.16 132.00 134.01 2dex h PRO 622 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2dex h PRO 622 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2dex h PRO 622 CO -0.13 0.00 -0.01 1.28 -0.21 0.00 0.00 178.00 178.94 2dex n LEU 623 N -2.66 1.20 0.00 2.35 4.77 -0.25 -4.92 117.00 117.49 2dex n LEU 623 Ca -0.02 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2dex n LEU 623 Cb 0.21 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2dex n LEU 623 CO 0.13 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2dex n GLY 624 N 1.15 0.70 3.77 -0.72 0.00 0.56 -4.35 105.19 106.30 2dex n GLY 624 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2dex n GLY 624 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dex s LEU 625 N 0.00 4.52 -0.30 0.99 2.01 -1.15 -4.86 118.68 119.88 2dex s LEU 625 Ca 0.00 1.47 -0.10 0.00 0.01 0.00 0.00 54.13 55.52 2dex s LEU 625 Cb 0.00 -3.18 -0.02 0.00 0.01 0.00 0.00 46.19 43.01 2dex s LEU 625 CO 0.00 0.14 0.15 -1.10 1.01 0.00 0.00 176.35 176.56 2dex s GLN 626 N -0.68 3.46 -0.39 1.70 -0.21 0.12 -4.01 119.66 119.65 2dex s GLN 626 Ca 0.35 -0.64 -0.16 0.00 0.02 0.00 0.00 55.36 54.93 2dex s GLN 626 Cb -0.21 -3.57 0.01 0.00 1.00 0.00 0.00 33.01 30.24 2dex s GLN 626 CO 0.23 -0.37 0.37 0.00 -2.12 0.00 0.00 175.29 173.41 2dex s THR 628 N 1.99 4.95 -0.29 0.00 2.01 -0.16 -5.00 115.64 119.14 2dex s THR 628 Ca 0.10 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 2dex s THR 628 Cb -0.17 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 2dex s THR 628 CO 0.12 0.35 0.37 -0.36 -0.69 0.00 0.00 174.62 174.40 2dex s PHE 629 N 1.21 3.23 -0.20 4.92 0.40 -1.26 -0.59 117.98 125.70 2dex s PHE 629 Ca 0.06 0.29 -0.04 0.00 -0.60 0.00 0.00 56.93 56.64 2dex s PHE 629 Cb -0.14 -2.60 -0.01 0.00 0.51 0.00 0.00 43.02 40.77 2dex s PHE 629 CO 0.05 -0.29 -0.04 0.42 0.70 0.00 0.00 175.22 176.06 2dex s ILE 630 N 2.06 3.52 -0.21 0.64 1.01 0.38 -4.68 121.20 123.92 2dex s ILE 630 Ca 0.14 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 2dex s ILE 630 Cb -0.16 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2dex s ILE 630 CO 0.11 0.44 1.81 0.21 0.00 0.00 0.00 174.94 177.51 2dex s ASN 631 N 1.11 6.11 -0.05 3.58 2.47 -1.26 -0.99 114.94 125.92 2dex s ASN 631 Ca 0.02 1.74 0.07 0.00 0.42 0.00 0.00 52.86 55.10 2dex s ASN 631 Cb -0.15 -2.53 0.11 0.00 -1.45 0.00 0.00 41.25 37.23 2dex s ASN 631 CO -0.00 -1.46 0.98 -0.90 -3.72 0.00 0.00 177.10 171.99 2dex n ASP 632 N 9.33 1.31 0.34 -4.21 3.85 -1.26 -4.46 116.55 121.44 2dex n ASP 632 Ca 0.22 -2.24 -0.13 0.00 -0.71 0.00 0.00 54.79 51.93 2dex n ASP 632 Cb 0.45 -0.21 -0.06 0.00 -1.35 0.00 0.00 41.12 39.95 2dex n ASP 632 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2dex h PHE 633 N 0.00 -0.80 -0.00 2.11 3.04 -1.90 0.12 116.94 119.50 2dex h PHE 633 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2dex h PHE 633 Cb 0.99 0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.76 2dex h PHE 633 CO 0.03 -0.50 -0.06 1.19 -2.02 0.00 0.00 178.31 176.94 2dex n PHE 634 N -4.49 0.00 -0.11 0.41 3.01 -1.26 -1.23 117.46 113.79 2dex n PHE 634 Ca -0.11 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.19 2dex n PHE 634 Cb 0.34 -0.42 -0.10 0.00 -0.01 0.00 0.00 39.48 39.29 2dex n PHE 634 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 2dex n THR 635 N -1.44 1.27 -0.00 4.37 5.66 -1.17 -4.73 114.28 118.24 2dex n THR 635 Ca 0.08 -0.46 -0.03 0.00 -3.05 0.00 0.00 64.05 60.59 2dex n THR 635 Cb 0.32 -1.36 -0.01 0.00 -1.55 0.00 0.00 70.33 67.73 2dex n THR 635 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2dex n TYR 636 N -3.27 0.00 -0.15 1.09 4.02 0.25 -4.60 117.16 114.50 2dex n TYR 636 Ca -0.40 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.45 2dex n TYR 636 Cb 0.91 -0.18 0.02 0.00 -0.02 0.00 0.00 39.34 40.07 2dex n TYR 636 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2dex h HIS 637 N -0.36 -0.47 0.00 -0.72 2.76 0.09 0.23 115.15 116.69 2dex h HIS 637 Ca 0.00 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2dex h HIS 637 Cb 0.36 0.28 -0.00 0.00 1.55 0.00 0.00 27.41 29.60 2dex h HIS 637 CO -0.16 -0.28 -0.06 0.82 -1.30 0.00 0.00 177.93 176.95 2dex h ILE 638 N -0.09 0.42 -0.64 6.26 1.08 -1.41 -0.46 117.51 122.67 2dex h ILE 638 Ca 0.22 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 64.28 2dex h ILE 638 Cb 0.43 1.23 -0.05 0.00 -3.07 0.00 0.00 36.82 35.36 2dex h ILE 638 CO -0.53 0.06 0.11 0.54 -0.69 0.00 0.00 178.15 177.64 2dex n ARG 639 N -3.55 4.43 -2.05 2.37 1.74 0.78 -4.95 116.66 115.43 2dex n ARG 639 Ca -0.02 -3.14 -0.00 0.00 -0.77 0.00 0.00 57.85 53.91 2dex n ARG 639 Cb 0.18 -2.25 -0.00 0.00 -1.02 0.00 0.00 32.46 29.37 2dex n ARG 639 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2dex n HIS 640 N 0.29 -0.02 -3.78 -1.55 8.25 -0.18 -5.03 115.22 113.20 2dex n HIS 640 Ca 0.33 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.71 2dex n HIS 640 Cb 1.28 -1.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 2dex n HIS 640 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2dex s GLY 641 N -2.99 -0.11 0.00 -1.41 0.00 -1.10 -4.95 107.32 96.76 2dex s GLY 641 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2dex s GLY 641 CO 0.00 -0.13 0.00 1.18 0.00 0.00 0.00 173.10 174.15 2dex n GLU 642 N -0.42 2.25 -0.08 2.90 -0.58 -1.26 -1.42 120.64 122.03 2dex n GLU 642 Ca -0.07 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.57 2dex n GLU 642 Cb 0.61 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.44 2dex n GLU 642 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dex h VAL 643 N 0.00 1.18 -0.77 2.62 2.07 -1.83 -1.38 116.25 118.15 2dex h VAL 643 Ca 0.00 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2dex h VAL 643 Cb 0.00 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2dex h VAL 643 CO 0.00 0.19 0.44 -0.74 0.02 0.00 0.00 177.57 177.48 2dex h HIS 644 N 0.24 1.04 -0.11 1.57 6.17 -1.36 -2.64 115.15 120.05 2dex h HIS 644 Ca 0.08 -0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.09 2dex h HIS 644 Cb 0.21 -0.34 -0.01 0.00 2.52 0.00 0.00 27.41 29.80 2dex h HIS 644 CO -0.00 0.72 -0.17 0.00 0.71 0.00 0.00 177.93 179.18 2dex h ALA 645 N 1.23 1.50 -0.09 5.26 0.00 -1.69 -2.89 119.26 122.58 2dex h ALA 645 Ca 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dex h ALA 645 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2dex h ALA 645 CO -0.05 0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2dex n GLY 646 N -0.82 -0.03 3.25 0.00 0.00 -0.56 -2.30 105.19 104.72 2dex n GLY 646 Ca -0.01 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 2dex n GLY 646 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dex s THR 647 N -1.89 0.19 0.14 2.61 -4.23 -1.09 -4.15 115.64 107.21 2dex s THR 647 Ca 0.35 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.72 2dex s THR 647 Cb 0.18 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.50 2dex s THR 647 CO 0.29 0.00 0.36 0.21 -0.54 0.00 0.00 174.62 174.94 2dex s ASN 648 N -3.24 -0.11 -0.06 3.99 3.84 -0.29 -2.02 114.94 117.04 2dex s ASN 648 Ca 0.38 -0.54 -0.04 0.00 0.21 0.00 0.00 52.86 52.87 2dex s ASN 648 Cb 0.07 0.47 0.02 0.00 -0.55 0.00 0.00 41.25 41.26 2dex s ASN 648 CO 0.14 -0.89 0.15 -0.69 -2.79 0.00 0.00 177.10 173.03 2dex s VAL 649 N -3.87 -0.02 -0.20 -5.21 1.01 -1.26 -0.15 120.40 110.70 2dex s VAL 649 Ca 0.08 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 2dex s VAL 649 Cb 0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 2dex s VAL 649 CO -0.07 0.02 0.13 -0.60 0.00 0.00 0.00 175.10 174.58 2dex s ARG 650 N 0.45 4.18 0.23 2.72 3.52 0.01 -4.65 118.95 125.41 2dex s ARG 650 Ca -0.03 -0.23 0.08 0.00 -0.13 0.00 0.00 55.73 55.42 2dex s ARG 650 Cb -0.05 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 2dex s ARG 650 CO -0.02 0.29 -0.13 1.03 -0.81 0.00 0.00 175.30 175.66 2dex s ARG 651 N 0.38 1.42 0.18 5.12 0.52 -1.26 -0.02 118.95 125.29 2dex s ARG 651 Ca 0.08 -1.66 -0.31 0.00 -0.52 0.00 0.00 55.73 53.32 2dex s ARG 651 Cb -0.11 -1.19 -0.09 0.00 0.52 0.00 0.00 34.95 34.08 2dex s ARG 651 CO -0.02 0.16 1.46 0.21 0.02 0.00 0.00 175.30 177.13 2dex s LYS 652 N -3.65 4.27 0.67 3.54 2.20 0.38 -4.88 119.74 122.27 2dex s LYS 652 Ca 0.25 2.24 -0.17 0.00 -0.36 0.00 0.00 55.97 57.93 2dex s LYS 652 Cb 0.00 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.14 2dex s LYS 652 CO 0.09 -0.48 1.10 -2.30 -0.36 0.00 0.00 175.35 173.40 2dex n PRO 653 N 3.40 0.80 -1.75 4.03 -0.02 -1.26 -4.67 135.00 135.53 2dex n PRO 653 Ca 0.11 0.33 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 2dex n PRO 653 Cb 0.40 -2.33 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2dex n PRO 653 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2dex n PHE 654 N -2.15 2.44 0.03 6.00 3.01 -1.26 -4.90 117.46 120.62 2dex n PHE 654 Ca 0.14 0.44 -0.09 0.00 1.01 0.00 0.00 57.45 58.95 2dex n PHE 654 Cb 0.48 -2.40 0.05 0.00 -0.01 0.00 0.00 39.48 37.61 2dex n PHE 654 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2dex h SER 655 N 1.80 0.55 -3.15 4.37 0.02 -1.97 -3.44 113.55 111.72 2dex h SER 655 Ca -0.51 -0.32 -0.53 0.00 -0.84 0.00 0.00 61.79 59.60 2dex h SER 655 Cb 1.29 -0.16 0.06 0.00 0.14 0.00 0.00 62.40 63.73 2dex h SER 655 CO 0.59 1.03 0.85 0.12 -1.14 0.00 0.00 176.83 178.28 2dex s PHE 656 N -3.85 2.94 -0.16 3.45 5.36 -1.26 -4.95 117.98 119.51 2dex s PHE 656 Ca -0.07 0.78 -0.20 0.00 -0.96 0.00 0.00 56.93 56.48 2dex s PHE 656 Cb 0.11 -3.96 -0.03 0.00 -0.34 0.00 0.00 43.02 38.80 2dex s PHE 656 CO 0.84 -3.31 0.60 0.15 -1.46 0.00 0.00 175.22 172.04 2dex s LYS 657 N 0.12 4.27 0.40 10.12 -0.14 -1.26 -4.96 119.74 128.29 2dex s LYS 657 Ca 0.65 0.60 0.10 0.00 -1.36 0.00 0.00 55.97 55.95 2dex s LYS 657 Cb -0.45 -3.53 0.89 0.00 -1.68 0.00 0.00 37.83 33.06 2dex s LYS 657 CO 0.41 -0.11 1.98 0.11 -0.76 0.00 0.00 175.35 176.98 2dex h TRP 658 N 7.23 0.58 0.00 3.18 5.08 -1.92 0.36 115.95 130.45 2dex h TRP 658 Ca -0.35 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.64 2dex h TRP 658 Cb 1.16 -0.19 0.00 0.00 -3.00 0.00 0.00 29.16 27.13 2dex h TRP 658 CO 0.68 0.30 0.00 0.11 -1.28 0.00 0.00 178.44 178.25 2dex h TRP 659 N 0.57 0.00 -0.00 0.12 0.09 -1.95 -1.50 115.95 113.28 2dex h TRP 659 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.25 2dex h TRP 659 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.58 2dex h TRP 659 CO -0.00 0.00 -0.04 0.09 0.09 0.00 0.00 178.44 178.58 2dex n ASN 660 N -2.73 0.25 -4.83 0.11 3.02 0.12 -0.20 115.26 110.99 2dex n ASN 660 Ca -0.00 -0.61 -0.32 0.00 -0.03 0.00 0.00 54.58 53.62 2dex n ASN 660 Cb 0.18 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 2dex n ASN 660 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2dex s MET 661 N -2.35 3.70 -0.74 3.52 1.75 -0.57 -3.95 119.30 120.66 2dex s MET 661 Ca 0.35 1.01 0.02 0.00 -1.25 0.00 0.00 55.69 55.82 2dex s MET 661 Cb 0.21 -2.10 0.18 0.00 2.84 0.00 0.00 34.83 35.96 2dex s MET 661 CO 0.43 -0.48 0.56 0.14 -0.65 0.00 0.00 175.02 175.02 2dex s VAL 662 N -2.64 3.43 -1.66 10.11 -7.23 -1.26 -3.09 120.40 118.07 2dex s VAL 662 Ca 0.60 -3.92 0.00 0.00 -1.81 0.00 0.00 61.98 56.85 2dex s VAL 662 Cb -0.12 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.61 2dex s VAL 662 CO 0.36 -1.00 0.42 -2.65 -0.31 0.00 0.00 175.10 171.91