#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h12 s LEU 3 N 0.00 3.30 -0.07 -3.43 1.43 -1.26 -5.04 118.68 113.61 3h12 s LEU 3 Ca 0.00 1.08 0.03 0.00 -1.03 0.00 0.00 54.13 54.21 3h12 s LEU 3 Cb 0.00 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 42.21 3h12 s LEU 3 CO 0.00 -0.89 -0.15 -0.54 0.23 0.00 0.00 176.35 175.00 3h12 s LYS 4 N -5.04 1.95 0.28 1.70 1.02 -1.26 -3.92 119.74 114.47 3h12 s LYS 4 Ca 0.53 -0.53 -0.29 0.00 0.02 0.00 0.00 55.97 55.70 3h12 s LYS 4 Cb -0.11 -1.58 -0.10 0.00 -0.52 0.00 0.00 37.83 35.52 3h12 s LYS 4 CO 0.49 0.09 1.31 0.42 -0.92 0.00 0.00 175.35 176.74 3h12 s ILE 5 N 0.49 2.91 -0.05 2.17 1.01 0.16 -0.95 121.20 126.94 3h12 s ILE 5 Ca -0.13 0.85 0.05 0.00 0.00 0.00 0.00 60.65 61.41 3h12 s ILE 5 Cb -0.15 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 3h12 s ILE 5 CO 0.04 0.17 0.03 0.35 0.00 0.00 0.00 174.94 175.53 3h12 n THR 6 N 1.55 0.37 -3.71 2.92 -2.24 0.03 -0.48 114.28 112.73 3h12 n THR 6 Ca 0.02 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 3h12 n THR 6 Cb 0.42 -0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 67.80 3h12 n THR 6 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h12 s GLU 7 N -2.16 0.66 -0.22 -0.78 2.02 -1.20 -4.91 118.70 112.11 3h12 s GLU 7 Ca -0.03 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.18 3h12 s GLU 7 Cb 0.02 0.31 0.06 0.00 0.10 0.00 0.00 34.13 34.61 3h12 s GLU 7 CO 0.24 -0.15 -0.05 0.08 0.02 0.00 0.00 175.26 175.39 3h12 s VAL 8 N -0.65 1.47 0.04 2.63 1.01 -1.26 -0.76 120.40 122.87 3h12 s VAL 8 Ca -0.07 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 60.83 3h12 s VAL 8 Cb -0.04 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3h12 s VAL 8 CO 0.04 -0.06 -0.11 -0.54 0.00 0.00 0.00 175.10 174.43 3h12 s LYS 9 N 1.43 2.32 -0.26 2.72 1.02 0.93 -4.52 119.74 123.38 3h12 s LYS 9 Ca -0.05 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.08 3h12 s LYS 9 Cb -0.18 -2.37 0.08 0.00 -0.52 0.00 0.00 37.83 34.83 3h12 s LYS 9 CO -0.07 0.56 0.02 0.00 -0.92 0.00 0.00 175.35 174.94 3h12 s ALA 10 N -1.03 1.79 -0.37 5.17 0.00 -1.26 -0.56 121.76 125.50 3h12 s ALA 10 Ca 0.18 -1.47 -0.23 0.00 0.00 0.00 0.00 51.96 50.43 3h12 s ALA 10 Cb -0.11 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.51 3h12 s ALA 10 CO 0.08 -1.38 0.78 -1.01 0.00 0.00 0.00 175.76 174.23 3h12 s HIS 11 N 1.48 3.11 -0.18 0.00 3.76 -0.12 -4.90 115.29 118.44 3h12 s HIS 11 Ca 0.01 0.53 -0.28 0.00 -0.15 0.00 0.00 55.06 55.18 3h12 s HIS 11 Cb -0.18 -3.40 -0.00 0.00 1.11 0.00 0.00 32.58 30.10 3h12 s HIS 11 CO -0.12 -0.74 0.96 0.00 -0.85 0.00 0.00 174.74 173.99 3h12 s ALA 12 N 3.09 3.55 -0.01 -1.40 0.00 -1.26 -0.82 121.76 124.92 3h12 s ALA 12 Ca 0.31 0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.52 3h12 s ALA 12 Cb -0.13 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3h12 s ALA 12 CO 0.17 -0.80 -0.22 -0.51 0.00 0.00 0.00 175.76 174.39 3h12 s LEU 13 N 2.54 2.06 0.03 0.00 1.43 0.01 -0.92 118.68 123.84 3h12 s LEU 13 Ca 0.43 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3h12 s LEU 13 Cb -0.16 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 3h12 s LEU 13 CO 0.11 0.26 -0.09 -0.55 0.23 0.00 0.00 176.35 176.32 3h12 s SER 14 N -0.64 1.01 -0.00 2.29 0.15 -0.38 -2.14 113.70 113.99 3h12 s SER 14 Ca 0.09 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.36 3h12 s SER 14 Cb -0.09 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 3h12 s SER 14 CO -0.00 -0.06 -0.06 0.42 1.20 0.00 0.00 173.24 174.73 3h12 s THR 15 N -0.88 0.47 0.73 6.45 -4.23 -0.21 -4.75 115.64 113.23 3h12 s THR 15 Ca -0.03 -0.31 -0.11 0.00 -1.18 0.00 0.00 61.69 60.05 3h12 s THR 15 Cb -0.07 -0.41 0.03 0.00 1.34 0.00 0.00 72.50 73.38 3h12 s THR 15 CO 0.00 0.10 1.10 -2.16 -0.54 0.00 0.00 174.62 173.13 3h12 s PRO 16 N -0.24 2.69 -0.20 3.99 0.04 -1.26 -1.01 135.00 139.01 3h12 s PRO 16 Ca 0.01 0.46 -0.00 0.00 0.04 0.00 0.00 61.00 61.51 3h12 s PRO 16 Cb -0.03 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.56 3h12 s PRO 16 CO -0.00 -1.16 -0.04 0.42 0.04 0.00 0.00 177.00 176.26 3h12 s ILE 17 N -3.35 1.17 0.26 0.56 1.01 -1.17 -4.64 121.20 115.04 3h12 s ILE 17 Ca 0.59 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 3h12 s ILE 17 Cb -0.11 -1.43 -0.15 0.00 0.01 0.00 0.00 42.46 40.77 3h12 s ILE 17 CO 0.52 -0.01 0.96 -2.65 0.00 0.00 0.00 174.94 173.77 3h12 n PRO 18 N 4.83 1.12 -0.30 2.79 -0.02 -1.26 -4.76 135.00 137.40 3h12 n PRO 18 Ca -0.12 0.39 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 3h12 n PRO 18 Cb 0.46 -1.73 0.19 0.00 -0.02 0.00 0.00 33.50 32.41 3h12 n PRO 18 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3h12 h GLU 19 N 2.08 0.06 0.00 -0.52 4.57 -1.97 0.16 114.58 118.95 3h12 h GLU 19 Ca -0.38 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 3h12 h GLU 19 Cb 1.36 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.93 3h12 h GLU 19 CO 0.62 0.04 -0.10 0.00 -1.18 0.00 0.00 179.01 178.38 3h12 h ARG 20 N 0.06 0.00 -0.05 1.92 3.08 -2.02 -2.47 114.38 114.90 3h12 h ARG 20 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 3h12 h ARG 20 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3h12 h ARG 20 CO -0.79 0.10 0.00 -1.33 -1.07 0.00 0.00 179.97 176.88 3h12 n MET 21 N -3.30 1.73 -2.62 0.04 2.81 0.54 -4.86 117.12 111.46 3h12 n MET 21 Ca -0.00 -1.07 -0.42 0.00 -1.81 0.00 0.00 57.70 54.40 3h12 n MET 21 Cb 0.32 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 3h12 n MET 21 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3h12 s ARG 22 N -1.95 4.40 0.30 0.03 0.52 -0.93 -4.68 118.95 116.64 3h12 s ARG 22 Ca 0.36 1.47 0.08 0.00 -0.52 0.00 0.00 55.73 57.13 3h12 s ARG 22 Cb 0.20 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3h12 s ARG 22 CO 0.32 -0.35 0.18 0.14 0.02 0.00 0.00 175.30 175.61 3h12 s VAL 23 N 2.05 3.63 -0.01 3.52 -7.23 -1.26 -4.89 120.40 116.21 3h12 s VAL 23 Ca 0.51 -1.56 0.04 0.00 -1.81 0.00 0.00 61.98 59.15 3h12 s VAL 23 Cb -0.20 -3.13 -0.01 0.00 0.56 0.00 0.00 36.38 33.60 3h12 s VAL 23 CO 0.19 -0.26 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.91 3h12 s GLU 24 N -3.86 0.94 0.00 4.82 2.12 -1.26 -1.06 118.70 120.39 3h12 s GLU 24 Ca 0.36 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.26 3h12 s GLU 24 Cb -0.06 -0.90 0.00 0.00 0.26 0.00 0.00 34.13 33.43 3h12 s GLU 24 CO 0.24 0.25 0.00 -1.13 -0.54 0.00 0.00 175.26 174.08 3h12 n SER 25 N 2.75 0.43 0.16 -1.70 3.41 -1.00 -2.48 113.62 115.20 3h12 n SER 25 Ca -0.14 -0.58 0.13 0.00 -0.26 0.00 0.00 58.87 58.02 3h12 n SER 25 Cb 0.56 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.06 3h12 n SER 25 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3h12 h GLY 26 N 0.00 0.00 2.00 5.00 0.00 -1.83 -0.65 103.07 107.58 3h12 h GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h12 h GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3h12 h ALA 27 N 2.19 1.00 0.00 3.60 0.00 -1.90 0.05 119.26 124.20 3h12 h ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h12 h ALA 27 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3h12 h ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3h12 n GLY 28 N 0.93 0.74 3.69 0.00 0.00 -0.25 -3.82 105.19 106.46 3h12 n GLY 28 Ca 0.04 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 3h12 n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h12 s LEU 29 N 0.00 4.21 0.22 0.99 2.96 -1.26 -2.37 118.68 123.42 3h12 s LEU 29 Ca 0.00 0.87 -0.30 0.00 -0.22 0.00 0.00 54.13 54.48 3h12 s LEU 29 Cb 0.00 -2.85 -0.09 0.00 0.50 0.00 0.00 46.19 43.75 3h12 s LEU 29 CO 0.00 -0.17 1.20 -0.54 -1.32 0.00 0.00 176.35 175.53 3h12 s LYS 30 N 1.36 4.49 -0.03 1.98 1.02 -0.23 0.07 119.74 128.42 3h12 s LYS 30 Ca 0.29 1.91 -0.01 0.00 0.02 0.00 0.00 55.97 58.19 3h12 s LYS 30 Cb -0.16 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 3h12 s LYS 30 CO 0.12 -0.06 -0.03 1.28 -0.92 0.00 0.00 175.35 175.74 3h12 n LEU 31 N 2.12 1.22 -3.82 3.17 4.77 0.15 -4.53 117.00 120.08 3h12 n LEU 31 Ca 0.03 0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3h12 n LEU 31 Cb 0.44 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 3h12 n LEU 31 CO 0.56 0.23 -0.24 0.20 -1.33 0.00 0.00 177.39 176.82 3h12 s ASN 32 N -4.87 -0.12 -0.28 -1.43 0.01 -0.75 -3.03 114.94 104.49 3h12 s ASN 32 Ca -0.04 0.24 -0.21 0.00 -0.71 0.00 0.00 52.86 52.14 3h12 s ASN 32 Cb 0.01 0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.89 3h12 s ASN 32 CO 0.05 -0.05 0.64 -0.13 -1.51 0.00 0.00 177.10 176.10 3h12 s ARG 33 N 0.17 4.02 0.32 -0.60 1.81 -0.18 -4.50 118.95 120.00 3h12 s ARG 33 Ca -0.01 0.47 0.08 0.00 -1.72 0.00 0.00 55.73 54.55 3h12 s ARG 33 Cb -0.02 -3.68 -0.06 0.00 -0.45 0.00 0.00 34.95 30.73 3h12 s ARG 33 CO -0.00 -0.49 -0.07 -0.65 -0.68 0.00 0.00 175.30 173.41 3h12 s GLN 34 N 2.58 1.72 0.18 3.54 -0.21 -1.26 -1.04 119.66 125.18 3h12 s GLN 34 Ca 0.26 -1.89 -0.23 0.00 0.02 0.00 0.00 55.36 53.52 3h12 s GLN 34 Cb -0.15 -1.46 0.06 0.00 1.00 0.00 0.00 33.01 32.46 3h12 s GLN 34 CO 0.10 0.07 0.69 0.00 -2.12 0.00 0.00 175.29 174.03 3h12 s MET 35 N -3.67 1.40 -0.21 2.91 0.23 -0.91 -4.82 119.30 114.23 3h12 s MET 35 Ca 0.32 -0.64 -0.08 0.00 -1.03 0.00 0.00 55.69 54.25 3h12 s MET 35 Cb 0.04 0.56 -0.04 0.00 -1.53 0.00 0.00 34.83 33.86 3h12 s MET 35 CO 0.15 -0.63 0.09 0.42 -2.03 0.00 0.00 175.02 173.02 3h12 s ILE 36 N -3.72 4.88 -0.39 3.16 -1.09 -1.26 -0.81 121.20 121.97 3h12 s ILE 36 Ca 0.06 0.01 -0.19 0.00 -2.23 0.00 0.00 60.65 58.30 3h12 s ILE 36 Cb -0.03 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.63 3h12 s ILE 36 CO -0.05 0.41 0.53 -0.22 -1.23 0.00 0.00 174.94 174.38 3h12 s LEU 37 N 0.77 4.51 0.23 2.97 2.96 0.00 -4.18 118.68 125.94 3h12 s LEU 37 Ca 0.05 -0.27 -0.22 0.00 -0.22 0.00 0.00 54.13 53.46 3h12 s LEU 37 Cb -0.13 -2.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.89 3h12 s LEU 37 CO 0.02 -0.59 0.78 -0.69 -1.32 0.00 0.00 176.35 174.54 3h12 s VAL 38 N 2.46 4.45 -0.15 1.68 1.01 0.12 -0.94 120.40 129.03 3h12 s VAL 38 Ca 0.18 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 3h12 s VAL 38 Cb -0.15 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.31 3h12 s VAL 38 CO 0.15 0.28 -0.03 -0.70 0.00 0.00 0.00 175.10 174.80 3h12 s GLU 39 N -1.78 1.19 -0.26 2.72 2.12 0.27 -1.78 118.70 121.18 3h12 s GLU 39 Ca 0.42 -0.38 -0.10 0.00 0.36 0.00 0.00 54.97 55.28 3h12 s GLU 39 Cb -0.19 -1.82 -0.05 0.00 0.26 0.00 0.00 34.13 32.34 3h12 s GLU 39 CO 0.23 -0.43 0.16 0.08 -0.54 0.00 0.00 175.26 174.75 3h12 s VAL 40 N 1.73 5.12 0.21 3.70 1.01 -0.25 -0.05 120.40 131.87 3h12 s VAL 40 Ca 0.02 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.16 3h12 s VAL 40 Cb -0.15 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3h12 s VAL 40 CO -0.07 0.30 0.11 -0.13 0.00 0.00 0.00 175.10 175.30 3h12 s ARG 41 N 1.51 2.73 0.30 2.72 0.52 0.06 -1.45 118.95 125.33 3h12 s ARG 41 Ca 0.07 -1.05 0.03 0.00 -0.52 0.00 0.00 55.73 54.25 3h12 s ARG 41 Cb -0.15 -2.49 -0.06 0.00 0.52 0.00 0.00 34.95 32.77 3h12 s ARG 41 CO 0.08 0.43 0.07 0.95 0.02 0.00 0.00 175.30 176.85 3h12 s THR 42 N -1.95 0.98 0.46 0.02 -4.23 -1.17 -0.79 115.64 108.97 3h12 s THR 42 Ca 0.31 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.95 3h12 s THR 42 Cb -0.09 -2.73 0.23 0.00 1.34 0.00 0.00 72.50 71.25 3h12 s THR 42 CO 0.22 -0.01 2.06 -2.24 -0.54 0.00 0.00 174.62 174.12 3h12 h ASP 43 N 2.21 0.12 -0.50 3.99 2.03 -1.37 -2.39 116.42 120.52 3h12 h ASP 43 Ca -0.40 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 3h12 h ASP 43 Cb 1.24 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 3h12 h ASP 43 CO 0.67 0.16 0.00 -0.62 -1.03 0.00 0.00 179.24 178.42 3h12 n GLU 44 N -4.44 2.20 -0.77 4.15 1.02 -1.26 -4.94 120.64 116.61 3h12 n GLU 44 Ca -0.01 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.26 3h12 n GLU 44 Cb 0.15 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3h12 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h12 n GLY 45 N 1.33 0.59 3.64 0.62 0.00 -0.90 -5.03 105.19 105.45 3h12 n GLY 45 Ca 0.18 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3h12 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h12 s VAL 46 N -2.00 4.86 -0.05 1.61 1.01 -1.26 -4.88 120.40 119.69 3h12 s VAL 46 Ca 0.00 1.49 0.05 0.00 0.00 0.00 0.00 61.98 63.52 3h12 s VAL 46 Cb 0.00 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 3h12 s VAL 46 CO 0.00 -0.05 -0.17 -0.89 0.00 0.00 0.00 175.10 173.98 3h12 s THR 47 N 2.78 2.79 0.13 3.92 2.01 -1.26 -3.04 115.64 122.96 3h12 s THR 47 Ca 0.33 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.57 3h12 s THR 47 Cb -0.15 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 3h12 s THR 47 CO 0.07 0.59 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.74 3h12 s GLY 48 N -0.63 1.81 0.21 4.40 0.00 -0.53 -4.52 107.32 108.06 3h12 s GLY 48 Ca 0.10 -1.25 0.09 0.00 0.00 0.00 0.00 44.72 43.66 3h12 s GLY 48 CO 0.00 -1.24 -0.18 -1.34 0.00 0.00 0.00 173.10 170.35 3h12 s VAL 49 N -1.47 2.00 0.37 1.40 -7.23 -1.26 -1.09 120.40 113.14 3h12 s VAL 49 Ca 0.26 -2.16 -0.15 0.00 -1.81 0.00 0.00 61.98 58.12 3h12 s VAL 49 Cb -0.11 -2.06 0.06 0.00 0.56 0.00 0.00 36.38 34.84 3h12 s VAL 49 CO 0.18 -0.42 0.79 0.61 -0.31 0.00 0.00 175.10 175.95 3h12 n GLY 50 N -0.19 0.97 3.14 2.32 0.00 -0.73 -3.45 105.19 107.26 3h12 n GLY 50 Ca -0.09 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 3h12 n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h12 s SER 51 N -3.05 -0.33 -0.29 1.61 0.15 -1.25 -0.71 113.70 109.83 3h12 s SER 51 Ca 0.16 0.62 0.04 0.00 0.70 0.00 0.00 55.95 57.47 3h12 s SER 51 Cb -0.05 0.55 0.50 0.00 -1.71 0.00 0.00 66.02 65.31 3h12 s SER 51 CO 0.11 -0.15 1.61 -0.81 1.20 0.00 0.00 173.24 175.20 3h12 n PRO 52 N 3.73 2.25 0.00 5.44 -0.04 -1.26 -3.91 135.00 141.22 3h12 n PRO 52 Ca -0.20 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 3h12 n PRO 52 Cb 0.55 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 3h12 n PRO 52 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3h12 n SER 53 N -0.47 -3.56 0.00 3.54 2.88 -1.23 -4.69 113.62 110.08 3h12 n SER 53 Ca 0.39 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 3h12 n SER 53 Cb 1.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.73 3h12 n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h12 n GLY 54 N 0.00 -0.18 3.73 0.46 0.00 -1.26 -4.59 105.19 103.34 3h12 n GLY 54 Ca 0.00 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3h12 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h12 s PRO 55 N -2.00 4.69 0.09 1.61 0.04 -1.26 -4.85 135.00 133.32 3h12 s PRO 55 Ca 0.00 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 62.40 3h12 s PRO 55 Cb 0.00 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.22 3h12 s PRO 55 CO 0.00 0.21 0.35 0.71 0.04 0.00 0.00 177.00 178.31 3h12 s TYR 56 N -0.16 -0.13 0.15 0.56 2.02 -1.26 -5.12 117.35 113.41 3h12 s TYR 56 Ca 0.47 -0.13 -0.31 0.00 -0.37 0.00 0.00 57.07 56.73 3h12 s TYR 56 Cb -0.25 0.16 -0.08 0.00 -0.40 0.00 0.00 41.96 41.39 3h12 s TYR 56 CO 0.31 -0.61 1.35 0.34 -1.57 0.00 0.00 175.55 175.36 3h12 s ASP 57 N -2.55 6.87 0.26 2.29 2.15 -1.26 -4.88 116.67 119.56 3h12 s ASP 57 Ca 0.01 2.34 0.05 0.00 0.43 0.00 0.00 52.55 55.38 3h12 s ASP 57 Cb 0.02 -2.60 0.34 0.00 -0.30 0.00 0.00 42.92 40.38 3h12 s ASP 57 CO -0.09 -0.59 1.63 -0.07 -0.17 0.00 0.00 175.17 175.88 3h12 h LEU 58 N 6.21 0.27 -0.48 -1.34 3.38 -1.98 -1.59 115.31 119.79 3h12 h LEU 58 Ca -0.43 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.28 3h12 h LEU 58 Cb 1.21 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3h12 h LEU 58 CO 0.82 0.73 -0.20 0.00 0.09 0.00 0.00 178.44 179.88 3h12 h ALA 59 N 1.27 0.67 -0.66 1.53 0.00 -1.99 0.29 119.26 120.37 3h12 h ALA 59 Ca 0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3h12 h ALA 59 Cb 0.96 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3h12 h ALA 59 CO 0.08 0.65 0.32 0.28 0.00 0.00 0.00 179.25 180.57 3h12 h VAL 60 N 0.83 1.22 -0.50 0.00 2.07 -1.90 -1.50 116.25 116.47 3h12 h VAL 60 Ca 0.11 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 3h12 h VAL 60 Cb 0.78 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3h12 h VAL 60 CO 0.06 0.26 0.03 -0.07 0.02 0.00 0.00 177.57 177.87 3h12 h LEU 61 N 0.91 0.84 -0.63 2.57 3.38 -1.17 -0.12 115.31 121.09 3h12 h LEU 61 Ca 0.23 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3h12 h LEU 61 Cb 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3h12 h LEU 61 CO -0.03 0.92 0.23 0.50 0.09 0.00 0.00 178.44 180.15 3h12 h LYS 62 N 0.73 0.96 -0.16 1.13 3.64 -0.74 -0.26 116.57 121.87 3h12 h LYS 62 Ca 0.15 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3h12 h LYS 62 Cb 0.47 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3h12 h LYS 62 CO 0.02 0.83 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.83 3h12 h ARG 63 N 0.90 0.37 -0.51 1.90 9.65 -1.10 -0.39 114.38 125.19 3h12 h ARG 63 Ca 0.21 -0.18 0.05 0.00 -1.10 0.00 0.00 59.98 58.97 3h12 h ARG 63 Cb 0.25 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.78 3h12 h ARG 63 CO -0.01 0.71 0.24 0.00 2.80 0.00 0.00 179.97 183.70 3h12 h ALA 64 N 0.65 0.65 0.13 2.80 0.00 -0.77 -0.51 119.26 122.20 3h12 h ALA 64 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h12 h ALA 64 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3h12 h ALA 64 CO 0.03 -0.13 -0.06 0.82 0.00 0.00 0.00 179.25 179.91 3h12 h ILE 65 N 0.46 1.02 0.06 0.00 2.04 -0.93 0.17 117.51 120.33 3h12 h ILE 65 Ca 0.23 -0.67 -0.23 0.00 1.00 0.00 0.00 64.86 65.18 3h12 h ILE 65 Cb 0.18 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3h12 h ILE 65 CO -0.19 0.16 -1.07 -0.33 0.00 0.00 0.00 178.15 176.73 3h12 h GLU 66 N -0.50 0.19 0.00 2.37 5.08 -1.07 0.66 114.58 121.31 3h12 h GLU 66 Ca -0.02 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3h12 h GLU 66 Cb 0.39 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3h12 h GLU 66 CO 0.03 1.09 -0.74 -0.25 -1.00 0.00 0.00 179.01 178.14 3h12 n ASP 67 N -3.53 2.07 -0.04 1.42 8.00 -0.22 -4.07 116.55 120.18 3h12 n ASP 67 Ca -0.05 -0.30 -0.09 0.00 0.71 0.00 0.00 54.79 55.06 3h12 n ASP 67 Cb 0.93 1.12 -0.03 0.00 -0.02 0.00 0.00 41.12 43.12 3h12 n ASP 67 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3h12 n VAL 68 N -1.40 1.16 -0.02 2.53 0.31 -0.83 -4.65 118.33 115.43 3h12 n VAL 68 Ca -0.00 0.08 -0.13 0.00 -0.01 0.00 0.00 64.34 64.29 3h12 n VAL 68 Cb 0.10 -1.88 -0.10 0.00 -0.91 0.00 0.00 33.84 31.05 3h12 n VAL 68 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3h12 h ILE 69 N -0.53 1.39 -0.91 2.52 2.04 -0.79 -3.37 117.51 117.87 3h12 h ILE 69 Ca -0.15 -1.49 0.13 0.00 1.00 0.00 0.00 64.86 64.35 3h12 h ILE 69 Cb 0.84 2.37 -0.09 0.00 -0.74 0.00 0.00 36.82 39.20 3h12 h ILE 69 CO -0.09 0.37 0.52 1.23 0.00 0.00 0.00 178.15 180.19 3h12 h GLY 70 N -0.71 1.49 2.00 5.37 0.00 -1.00 -0.72 103.07 109.49 3h12 h GLY 70 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3h12 h GLY 70 CO 0.01 0.05 -0.03 -2.55 0.00 0.00 0.00 176.54 174.02 3h12 h PRO 71 N 0.78 0.00 0.00 4.80 0.11 -1.72 -0.53 132.00 135.45 3h12 h PRO 71 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3h12 h PRO 71 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3h12 h PRO 71 CO -0.31 0.03 0.00 1.04 -0.21 0.00 0.00 178.00 178.55 3h12 n GLN 72 N -3.37 0.12 -0.08 1.05 1.13 -0.28 -3.78 117.38 112.17 3h12 n GLN 72 Ca -0.02 0.16 -0.08 0.00 -1.94 0.00 0.00 57.00 55.12 3h12 n GLN 72 Cb 0.16 -1.65 -0.14 0.00 0.11 0.00 0.00 30.24 28.72 3h12 n GLN 72 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3h12 n LEU 73 N -1.86 0.00 -4.74 1.08 4.32 -0.25 -4.86 117.00 110.69 3h12 n LEU 73 Ca 0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.63 3h12 n LEU 73 Cb 0.34 0.41 -0.02 0.00 -1.62 0.00 0.00 43.42 42.53 3h12 n LEU 73 CO 0.26 0.41 1.28 -0.63 -1.22 0.00 0.00 177.39 177.49 3h12 s ILE 74 N -2.46 2.04 0.00 -0.08 -1.09 -0.96 -1.18 121.20 117.47 3h12 s ILE 74 Ca -0.08 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 3h12 s ILE 74 Cb 0.05 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 3h12 s ILE 74 CO 0.71 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 3h12 n GLY 75 N 2.63 2.15 3.89 6.18 0.00 0.37 -4.97 105.19 115.44 3h12 n GLY 75 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3h12 n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h12 s GLU 76 N -0.30 3.63 -0.24 1.61 0.41 -0.33 -4.67 118.70 118.82 3h12 s GLU 76 Ca 0.00 0.29 -0.29 0.00 -0.41 0.00 0.00 54.97 54.56 3h12 s GLU 76 Cb 0.00 -2.39 -0.01 0.00 -1.78 0.00 0.00 34.13 29.95 3h12 s GLU 76 CO 0.00 -0.12 1.32 0.34 -0.49 0.00 0.00 175.26 176.31 3h12 s ASP 77 N -3.70 6.75 0.35 -0.19 -1.08 -1.25 -0.66 116.67 116.88 3h12 s ASP 77 Ca 0.49 1.44 0.26 0.00 -0.52 0.00 0.00 52.55 54.22 3h12 s ASP 77 Cb -0.10 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 40.02 3h12 s ASP 77 CO 0.39 -0.97 1.79 1.55 0.52 0.00 0.00 175.17 178.45 3h12 h PRO 78 N 9.02 0.00 0.00 4.34 0.13 -1.93 -2.98 132.00 140.58 3h12 h PRO 78 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3h12 h PRO 78 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3h12 h PRO 78 CO 1.01 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.67 3h12 h ALA 79 N 2.13 1.33 -0.94 -0.56 0.00 -1.90 -3.29 119.26 116.03 3h12 h ALA 79 Ca 0.00 -0.09 -0.76 0.00 0.00 0.00 0.00 54.91 54.06 3h12 h ALA 79 Cb 0.26 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.87 3h12 h ALA 79 CO 0.00 0.13 1.99 0.09 0.00 0.00 0.00 179.25 181.46 3h12 n ASN 80 N -3.68 6.05 -0.32 0.00 3.02 -1.13 -4.76 115.26 114.44 3h12 n ASN 80 Ca -0.02 -3.16 -0.04 0.00 -0.03 0.00 0.00 54.58 51.33 3h12 n ASN 80 Cb 0.21 -1.42 0.08 0.00 -0.61 0.00 0.00 39.78 38.05 3h12 n ASN 80 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h12 h ILE 81 N 3.37 1.24 -0.15 2.41 2.04 -1.86 -0.22 117.51 124.34 3h12 h ILE 81 Ca 0.46 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3h12 h ILE 81 Cb 0.53 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3h12 h ILE 81 CO 1.55 0.26 0.09 0.78 0.00 0.00 0.00 178.15 180.83 3h12 h ASN 82 N 1.20 0.18 -0.40 1.72 2.35 -1.94 -0.12 115.58 118.57 3h12 h ASN 82 Ca 0.31 -0.06 0.03 0.00 -0.55 0.00 0.00 56.30 56.04 3h12 h ASN 82 Cb -0.04 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 3h12 h ASN 82 CO -0.06 0.18 0.19 0.22 -1.65 0.00 0.00 177.43 176.32 3h12 h TYR 83 N 0.16 0.35 -0.17 1.19 3.20 -1.91 -2.93 116.97 116.87 3h12 h TYR 83 Ca 0.05 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3h12 h TYR 83 Cb 0.04 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3h12 h TYR 83 CO -0.05 0.18 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.48 3h12 h LEU 84 N 0.39 0.24 0.02 2.82 3.38 -0.67 0.92 115.31 122.42 3h12 h LEU 84 Ca 0.17 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3h12 h LEU 84 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3h12 h LEU 84 CO -0.13 0.38 -0.01 -0.25 0.09 0.00 0.00 178.44 178.52 3h12 h TRP 85 N 0.25 -0.03 -0.09 1.13 7.01 -0.85 -1.30 115.95 122.07 3h12 h TRP 85 Ca 0.05 -0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.92 3h12 h TRP 85 Cb 0.34 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 3h12 h TRP 85 CO 0.01 0.12 -0.53 0.45 -2.79 0.00 0.00 178.44 175.69 3h12 h HIS 86 N -0.17 0.31 -0.84 2.65 3.86 -1.32 -0.96 115.15 118.69 3h12 h HIS 86 Ca -0.00 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 3h12 h HIS 86 Cb 0.16 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 3h12 h HIS 86 CO -0.03 0.73 0.46 -0.22 0.86 0.00 0.00 177.93 179.73 3h12 h LYS 87 N 0.19 1.17 -0.10 2.45 3.64 -0.67 -1.46 116.57 121.80 3h12 h LYS 87 Ca 0.00 -0.14 -0.18 0.00 -1.27 0.00 0.00 60.65 59.07 3h12 h LYS 87 Cb 1.01 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3h12 h LYS 87 CO 0.08 0.86 -0.62 0.28 -2.27 0.00 0.00 179.45 177.78 3h12 h VAL 88 N 1.17 1.34 0.18 2.00 2.07 -0.96 -0.12 116.25 121.93 3h12 h VAL 88 Ca 0.29 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 3h12 h VAL 88 Cb 0.03 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3h12 h VAL 88 CO -0.05 0.59 -0.08 0.15 0.02 0.00 0.00 177.57 178.19 3h12 h PHE 89 N 0.22 -0.22 0.02 1.57 3.57 -1.02 -1.09 116.94 120.00 3h12 h PHE 89 Ca -0.05 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.23 3h12 h PHE 89 Cb 1.27 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 3h12 h PHE 89 CO 0.11 -0.03 -0.96 0.45 -2.23 0.00 0.00 178.31 175.65 3h12 h HIS 90 N -0.36 0.29 0.00 0.41 3.86 -1.37 -1.60 115.15 116.38 3h12 h HIS 90 Ca -0.02 -0.18 -0.20 0.00 -1.16 0.00 0.00 60.37 58.81 3h12 h HIS 90 Cb 0.28 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3h12 h HIS 90 CO -0.03 1.03 -0.88 0.78 0.86 0.00 0.00 177.93 179.69 3h12 h GLY 91 N 1.95 0.25 0.00 2.45 0.00 -1.00 -3.45 103.07 103.27 3h12 h GLY 91 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3h12 h GLY 91 CO 0.15 0.39 -0.17 1.18 0.00 0.00 0.00 176.54 178.08 3h12 n GLU 92 N -3.67 0.00 0.02 4.80 -0.58 -0.57 -4.99 120.64 115.65 3h12 n GLU 92 Ca -0.04 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.51 3h12 n GLU 92 Cb 0.81 -0.10 -0.12 0.00 -0.57 0.00 0.00 31.44 31.46 3h12 n GLU 92 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3h12 h VAL 93 N 0.00 1.44 0.19 2.62 2.07 -1.08 0.58 116.25 122.07 3h12 h VAL 93 Ca 0.00 -2.24 0.01 0.00 0.82 0.00 0.00 66.70 65.29 3h12 h VAL 93 Cb 0.17 2.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 3h12 h VAL 93 CO 0.00 0.65 -0.47 -1.28 0.02 0.00 0.00 177.57 176.49 3h12 h SER 94 N -0.14 -1.36 -0.16 0.57 0.87 -1.53 0.10 113.55 111.90 3h12 h SER 94 Ca -0.10 0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3h12 h SER 94 Cb 1.46 0.50 -0.00 0.00 -0.44 0.00 0.00 62.40 63.91 3h12 h SER 94 CO 0.14 -0.54 -0.09 0.03 -0.53 0.00 0.00 176.83 175.84 3h12 h ARG 95 N -0.75 0.34 -0.01 2.24 3.08 -1.80 -1.09 114.38 116.40 3h12 h ARG 95 Ca -0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3h12 h ARG 95 Cb 0.74 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3h12 h ARG 95 CO -0.22 0.67 -0.58 0.09 -1.07 0.00 0.00 179.97 178.85 3h12 n ASN 96 N -4.61 1.28 0.00 7.04 3.02 0.19 -4.00 115.26 118.18 3h12 n ASN 96 Ca -0.06 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 3h12 n ASN 96 Cb 0.31 0.52 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 3h12 n ASN 96 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h12 n LEU 97 N -0.81 0.23 0.00 3.41 4.77 0.30 -5.00 117.00 119.90 3h12 n LEU 97 Ca 0.08 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3h12 n LEU 97 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3h12 n LEU 97 CO 0.33 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3h12 n GLY 98 N 0.60 2.35 0.22 -0.72 0.00 -0.45 -4.58 105.19 102.62 3h12 n GLY 98 Ca 0.00 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.58 3h12 n GLY 98 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3h12 h HIS 99 N 0.00 0.00 -2.42 1.61 2.07 -1.70 -3.34 115.15 111.37 3h12 h HIS 99 Ca 0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 3h12 h HIS 99 Cb 0.00 0.00 -0.39 0.00 2.57 0.00 0.00 27.41 29.59 3h12 h HIS 99 CO 0.00 0.00 -0.89 0.54 -3.07 0.00 0.00 177.93 174.51 3h12 n ARG 100 N -2.78 0.85 -4.08 5.12 5.12 -1.26 -4.85 116.66 114.78 3h12 n ARG 100 Ca 0.01 -3.60 -0.11 0.00 -1.93 0.00 0.00 57.85 52.23 3h12 n ARG 100 Cb 0.29 -1.76 -0.07 0.00 -1.16 0.00 0.00 32.46 29.76 3h12 n ARG 100 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3h12 s SER 101 N -0.75 0.06 0.63 0.55 1.04 -1.25 -4.97 113.70 109.02 3h12 s SER 101 Ca 0.32 -1.14 0.33 0.00 0.48 0.00 0.00 55.95 55.95 3h12 s SER 101 Cb 0.06 0.51 1.85 0.00 0.10 0.00 0.00 66.02 68.54 3h12 s SER 101 CO -0.16 -1.03 2.11 1.62 0.98 0.00 0.00 173.24 176.76 3h12 h VAL 102 N 2.39 0.20 -0.53 5.02 3.04 -1.90 0.65 116.25 125.12 3h12 h VAL 102 Ca -0.30 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.32 3h12 h VAL 102 Cb 1.25 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 3h12 h VAL 102 CO 0.42 0.00 0.06 1.23 -1.01 0.00 0.00 177.57 178.27 3h12 h GLY 103 N 0.00 0.92 1.39 3.17 0.00 -1.87 0.97 103.07 107.66 3h12 h GLY 103 Ca 0.04 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 3h12 h GLY 103 CO -0.00 0.54 -0.29 -2.22 0.00 0.00 0.00 176.54 174.57 3h12 h ILE 104 N 0.81 1.28 -0.47 2.60 1.08 -1.14 -0.41 117.51 121.26 3h12 h ILE 104 Ca 0.16 -1.42 -0.00 0.00 -0.39 0.00 0.00 64.86 63.21 3h12 h ILE 104 Cb 0.40 1.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 3h12 h ILE 104 CO 0.01 0.46 0.28 0.00 -0.69 0.00 0.00 178.15 178.21 3h12 h ALA 105 N 1.08 0.60 -0.46 1.87 0.00 -1.25 -1.42 119.26 119.69 3h12 h ALA 105 Ca 0.07 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3h12 h ALA 105 Cb 0.80 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3h12 h ALA 105 CO 0.07 0.09 0.16 0.00 0.00 0.00 0.00 179.25 179.58 3h12 h ALA 106 N 1.13 0.56 -0.86 0.00 0.00 -0.61 -0.48 119.26 119.00 3h12 h ALA 106 Ca 0.17 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.24 3h12 h ALA 106 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3h12 h ALA 106 CO -0.03 -0.22 0.56 0.52 0.00 0.00 0.00 179.25 180.07 3h12 h MET 107 N 0.34 0.79 -0.39 0.00 2.07 -0.80 -2.44 114.93 114.50 3h12 h MET 107 Ca 0.22 -0.05 -0.08 0.00 -2.07 0.00 0.00 59.70 57.72 3h12 h MET 107 Cb 0.22 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.76 3h12 h MET 107 CO -0.22 0.52 -0.08 0.77 1.07 0.00 0.00 176.91 178.96 3h12 h SER 108 N 0.81 0.75 -0.79 1.22 0.02 -0.01 0.22 113.55 115.77 3h12 h SER 108 Ca 0.40 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3h12 h SER 108 Cb 0.46 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 3h12 h SER 108 CO -0.17 0.94 0.45 1.23 -1.14 0.00 0.00 176.83 178.13 3h12 h GLY 109 N 0.56 1.17 1.18 -3.77 0.00 -0.84 0.39 103.07 101.76 3h12 h GLY 109 Ca 0.10 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 3h12 h GLY 109 CO 0.04 0.50 -0.36 -2.08 0.00 0.00 0.00 176.54 174.64 3h12 h VAL 110 N 1.09 1.27 -0.61 4.60 2.07 -1.15 -1.95 116.25 121.58 3h12 h VAL 110 Ca 0.28 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 3h12 h VAL 110 Cb 0.01 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3h12 h VAL 110 CO -0.05 0.51 0.27 -0.78 0.02 0.00 0.00 177.57 177.54 3h12 h ASP 111 N 0.75 0.82 -0.54 0.57 3.58 -0.28 -0.07 116.42 121.25 3h12 h ASP 111 Ca 0.07 -0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.43 3h12 h ASP 111 Cb 0.94 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.72 3h12 h ASP 111 CO 0.09 0.75 0.25 0.40 -2.88 0.00 0.00 179.24 177.85 3h12 h ILE 112 N 0.84 0.89 -0.52 2.25 2.04 -0.82 -1.28 117.51 120.92 3h12 h ILE 112 Ca 0.21 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 3h12 h ILE 112 Cb 0.17 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3h12 h ILE 112 CO -0.02 0.09 0.17 0.00 0.00 0.00 0.00 178.15 178.39 3h12 h ALA 113 N 1.32 1.33 -0.71 1.87 0.00 -0.66 0.12 119.26 122.54 3h12 h ALA 113 Ca 0.25 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3h12 h ALA 113 Cb 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3h12 h ALA 113 CO -0.21 0.49 0.18 -0.07 0.00 0.00 0.00 179.25 179.64 3h12 h LEU 114 N 0.75 1.07 -0.55 0.00 3.38 -0.36 0.68 115.31 120.28 3h12 h LEU 114 Ca 0.17 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3h12 h LEU 114 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3h12 h LEU 114 CO -0.01 1.02 0.07 -0.50 0.09 0.00 0.00 178.44 179.10 3h12 h TRP 115 N 1.07 0.98 -0.39 1.13 4.06 -0.61 0.50 115.95 122.69 3h12 h TRP 115 Ca 0.22 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 3h12 h TRP 115 Cb 0.36 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 3h12 h TRP 115 CO 0.03 0.88 0.19 0.22 -3.56 0.00 0.00 178.44 176.20 3h12 h ASP 116 N 0.81 0.51 -0.47 -3.49 3.58 -0.58 -0.98 116.42 115.78 3h12 h ASP 116 Ca 0.16 -0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.53 3h12 h ASP 116 Cb 0.44 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.32 3h12 h ASP 116 CO 0.01 0.49 0.23 0.25 -2.88 0.00 0.00 179.24 177.35 3h12 h LEU 117 N 0.49 0.33 -0.61 2.28 6.46 -0.74 -0.40 115.31 123.12 3h12 h LEU 117 Ca 0.13 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 3h12 h LEU 117 Cb 0.11 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 3h12 h LEU 117 CO -0.02 0.23 0.18 0.50 -0.62 0.00 0.00 178.44 178.71 3h12 h LYS 118 N 0.46 0.95 -0.73 1.25 3.64 -0.56 0.27 116.57 121.86 3h12 h LYS 118 Ca 0.21 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3h12 h LYS 118 Cb 0.12 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3h12 h LYS 118 CO -0.15 0.86 0.23 0.78 -2.27 0.00 0.00 179.45 178.90 3h12 h GLY 119 N 0.87 1.21 0.98 5.01 0.00 -0.91 -0.60 103.07 109.63 3h12 h GLY 119 Ca 0.19 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 3h12 h GLY 119 CO -0.00 0.66 0.00 3.21 0.00 0.00 0.00 176.54 180.41 3h12 h ARG 120 N 1.08 0.78 -1.01 4.80 3.08 -0.70 0.96 114.38 123.38 3h12 h ARG 120 Ca 0.24 -0.25 0.08 0.00 0.07 0.00 0.00 59.98 60.12 3h12 h ARG 120 Cb 0.29 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 3h12 h ARG 120 CO -0.01 0.85 0.65 0.00 -1.07 0.00 0.00 179.97 180.38 3h12 h ALA 121 N 0.91 1.44 -0.00 0.04 0.00 -0.04 -2.73 119.26 118.88 3h12 h ALA 121 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h12 h ALA 121 Cb 0.49 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3h12 h ALA 121 CO 0.02 0.38 -0.36 -1.33 0.00 0.00 0.00 179.25 177.96 3h12 n MET 122 N -4.54 0.47 -3.65 0.00 2.81 -0.27 -4.97 117.12 106.98 3h12 n MET 122 Ca 0.17 -0.27 -0.24 0.00 -1.81 0.00 0.00 57.70 55.54 3h12 n MET 122 Cb 0.24 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.32 3h12 n MET 122 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3h12 n ASN 123 N -1.03 -5.11 -3.94 7.83 3.02 0.22 -5.02 115.26 111.23 3h12 n ASN 123 Ca 0.09 -0.62 -0.13 0.00 -0.03 0.00 0.00 54.58 53.89 3h12 n ASN 123 Cb 0.34 -4.76 -0.14 0.00 -0.61 0.00 0.00 39.78 34.62 3h12 n ASN 123 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3h12 s GLN 124 N -6.22 0.26 0.59 3.52 -1.52 -0.52 -4.78 119.66 110.99 3h12 s GLN 124 Ca 0.48 -0.23 -0.18 0.00 -1.95 0.00 0.00 55.36 53.48 3h12 s GLN 124 Cb -0.22 -0.18 -0.04 0.00 -0.22 0.00 0.00 33.01 32.35 3h12 s GLN 124 CO 0.76 0.04 1.16 -1.25 -0.25 0.00 0.00 175.29 175.75 3h12 s PRO 125 N -0.40 3.05 0.29 2.91 0.04 -1.18 -0.39 135.00 139.33 3h12 s PRO 125 Ca -0.02 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.73 3h12 s PRO 125 Cb -0.03 -1.96 0.66 0.00 0.04 0.00 0.00 34.50 33.22 3h12 s PRO 125 CO -0.00 -1.11 1.78 0.82 0.04 0.00 0.00 177.00 178.53 3h12 h ILE 126 N 0.82 0.72 0.00 0.56 2.04 -1.27 -1.14 117.51 119.26 3h12 h ILE 126 Ca -0.50 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3h12 h ILE 126 Cb 1.28 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3h12 h ILE 126 CO 0.55 0.13 -0.03 0.10 0.00 0.00 0.00 178.15 178.91 3h12 h TYR 127 N 0.74 0.00 -0.23 1.37 -0.00 -1.86 -0.49 116.97 116.50 3h12 h TYR 127 Ca 0.54 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 59.10 3h12 h TYR 127 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.52 3h12 h TYR 127 CO -0.03 0.03 -0.54 1.96 -0.00 0.00 0.00 178.16 179.58 3h12 h GLN 128 N 0.00 0.68 -0.38 0.10 1.08 -1.53 -0.36 115.11 114.70 3h12 h GLN 128 Ca -0.00 -0.43 -0.04 0.00 -1.45 0.00 0.00 58.65 56.74 3h12 h GLN 128 Cb 0.09 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3h12 h GLN 128 CO 0.00 1.04 0.07 -0.07 -0.95 0.00 0.00 178.83 178.93 3h12 h LEU 129 N 0.52 0.52 -0.28 1.46 4.07 -1.13 -2.63 115.31 117.84 3h12 h LEU 129 Ca 0.01 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3h12 h LEU 129 Cb 1.11 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.72 3h12 h LEU 129 CO 0.11 0.54 0.00 0.18 -1.08 0.00 0.00 178.44 178.19 3h12 n LEU 130 N -4.32 0.27 0.00 1.67 4.77 -0.94 -4.80 117.00 113.65 3h12 n LEU 130 Ca 0.02 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3h12 n LEU 130 Cb 0.20 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3h12 n LEU 130 CO 0.38 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3h12 n GLY 131 N 0.34 0.93 3.07 -0.72 0.00 -1.00 -5.00 105.19 102.81 3h12 n GLY 131 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.98 3h12 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h12 n GLY 132 N -2.13 -2.01 3.77 -0.02 0.00 -0.17 -4.90 105.19 99.73 3h12 n GLY 132 Ca 0.00 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 3h12 n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h12 s LYS 133 N -0.80 4.02 -0.19 1.61 1.02 -1.26 -4.29 119.74 119.85 3h12 s LYS 133 Ca 0.00 1.77 -0.12 0.00 0.02 0.00 0.00 55.97 57.64 3h12 s LYS 133 Cb 0.00 -2.60 -0.21 0.00 -0.52 0.00 0.00 37.83 34.50 3h12 s LYS 133 CO 0.00 -0.33 0.15 0.34 -0.92 0.00 0.00 175.35 174.59 3h12 n PHE 134 N -0.05 0.88 -2.72 3.18 7.35 0.37 -4.76 117.46 121.70 3h12 n PHE 134 Ca 0.05 0.26 -0.43 0.00 -0.76 0.00 0.00 57.45 56.57 3h12 n PHE 134 Cb 0.47 -1.10 0.00 0.00 0.35 0.00 0.00 39.48 39.20 3h12 n PHE 134 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3h12 n HIS 135 N -3.88 4.51 0.18 -5.13 8.25 -0.38 -4.79 115.22 113.97 3h12 n HIS 135 Ca -0.36 -3.15 0.03 0.00 -0.26 0.00 0.00 57.72 53.97 3h12 n HIS 135 Cb 0.89 -2.25 0.34 0.00 1.12 0.00 0.00 29.99 30.10 3h12 n HIS 135 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3h12 h THR 136 N 4.63 1.19 0.17 1.59 1.35 -1.86 -3.05 112.91 116.93 3h12 h THR 136 Ca 0.37 -1.44 -0.30 0.00 -0.55 0.00 0.00 66.41 64.49 3h12 h THR 136 Cb 0.82 1.80 0.03 0.00 -1.73 0.00 0.00 68.15 69.07 3h12 h THR 136 CO 1.38 0.40 -1.27 -0.09 -0.25 0.00 0.00 175.52 175.69 3h12 h ARG 137 N 0.00 0.56 0.00 4.72 2.43 -1.99 -3.50 114.38 116.59 3h12 h ARG 137 Ca -0.00 -0.83 0.00 0.00 -0.81 0.00 0.00 59.98 58.34 3h12 h ARG 137 Cb 0.77 0.29 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3h12 h ARG 137 CO 0.05 1.39 0.00 0.41 -1.51 0.00 0.00 179.97 180.31 3h12 n GLY 138 N 1.53 -1.67 3.20 2.80 0.00 -1.15 -4.99 105.19 104.90 3h12 n GLY 138 Ca -0.15 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 3h12 n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h12 s VAL 139 N -1.76 2.65 -0.04 1.61 1.01 0.43 -4.85 120.40 119.45 3h12 s VAL 139 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 3h12 s VAL 139 Cb 0.00 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 3h12 s VAL 139 CO 0.00 0.44 1.47 -0.60 0.00 0.00 0.00 175.10 176.40 3h12 s ARG 140 N 1.36 4.24 0.26 2.72 3.52 -1.26 -0.68 118.95 129.11 3h12 s ARG 140 Ca 0.04 2.00 0.07 0.00 -0.13 0.00 0.00 55.73 57.71 3h12 s ARG 140 Cb -0.14 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 3h12 s ARG 140 CO -0.08 -0.69 0.25 0.00 -0.81 0.00 0.00 175.30 173.96 3h12 s ALA 141 N 3.12 3.70 0.14 6.12 0.00 -1.01 -0.55 121.76 133.28 3h12 s ALA 141 Ca 0.66 -1.41 0.08 0.00 0.00 0.00 0.00 51.96 51.28 3h12 s ALA 141 Cb -0.31 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 3h12 s ALA 141 CO 0.25 0.21 -0.18 1.52 0.00 0.00 0.00 175.76 177.56 3h12 s TYR 142 N -2.13 1.74 -0.22 0.00 -0.85 0.29 -4.28 117.35 111.90 3h12 s TYR 142 Ca 0.34 -0.47 -0.25 0.00 -0.52 0.00 0.00 57.07 56.17 3h12 s TYR 142 Cb -0.08 -0.90 -0.01 0.00 0.38 0.00 0.00 41.96 41.36 3h12 s TYR 142 CO 0.26 0.27 0.85 0.00 -1.52 0.00 0.00 175.55 175.41 3h12 s ALA 143 N -1.82 3.62 -0.30 9.51 0.00 -0.62 -1.33 121.76 130.83 3h12 s ALA 143 Ca 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.99 3h12 s ALA 143 Cb -0.07 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.79 3h12 s ALA 143 CO 0.05 -0.87 0.02 0.45 0.00 0.00 0.00 175.76 175.42 3h12 s SER 144 N 1.28 4.92 0.33 0.00 0.15 -0.46 -1.63 113.70 118.29 3h12 s SER 144 Ca 0.37 -1.12 -0.07 0.00 0.70 0.00 0.00 55.95 55.83 3h12 s SER 144 Cb -0.16 -1.76 0.01 0.00 -1.71 0.00 0.00 66.02 62.41 3h12 s SER 144 CO 0.08 -0.25 0.53 -0.44 1.20 0.00 0.00 173.24 174.37 3h12 s SER 145 N 1.33 0.55 -0.24 5.45 0.01 -1.26 -1.11 113.70 118.42 3h12 s SER 145 Ca -0.03 -1.31 -0.10 0.00 1.31 0.00 0.00 55.95 55.82 3h12 s SER 145 Cb -0.19 0.68 -0.05 0.00 0.21 0.00 0.00 66.02 66.68 3h12 s SER 145 CO -0.00 -1.34 0.14 -0.63 0.41 0.00 0.00 173.24 171.82 3h12 s ILE 146 N -3.10 5.13 0.35 1.44 1.01 0.85 -4.93 121.20 121.95 3h12 s ILE 146 Ca 0.26 0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.07 3h12 s ILE 146 Cb -0.01 -3.40 0.06 0.00 0.01 0.00 0.00 42.46 39.12 3h12 s ILE 146 CO 0.16 0.34 0.48 -1.22 0.00 0.00 0.00 174.94 174.70 3h12 n TYR 147 N 4.47 -2.61 -0.72 3.97 4.02 -1.26 -0.43 117.16 124.60 3h12 n TYR 147 Ca -0.15 -1.24 -0.29 0.00 -0.01 0.00 0.00 57.90 56.21 3h12 n TYR 147 Cb 0.52 -0.33 0.22 0.00 -0.02 0.00 0.00 39.34 39.73 3h12 n TYR 147 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3h12 s TRP 148 N -1.17 1.57 0.00 -0.72 0.52 -1.04 -4.39 118.94 113.72 3h12 s TRP 148 Ca 0.36 1.19 0.00 0.00 0.02 0.00 0.00 56.10 57.68 3h12 s TRP 148 Cb -0.03 -3.15 0.00 0.00 -1.15 0.00 0.00 33.47 29.14 3h12 s TRP 148 CO 0.23 -3.53 0.00 -0.25 0.02 0.00 0.00 176.95 173.42 3h12 n ASP 149 N -4.67 -2.30 -4.77 2.95 8.00 -1.26 -4.78 116.55 109.71 3h12 n ASP 149 Ca 0.04 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 3h12 n ASP 149 Cb 0.55 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 3h12 n ASP 149 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3h12 s LEU 150 N 0.00 3.73 0.71 0.64 1.43 -1.26 -5.13 118.68 118.80 3h12 s LEU 150 Ca 0.00 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3h12 s LEU 150 Cb 0.00 -2.38 0.05 0.00 0.03 0.00 0.00 46.19 43.89 3h12 s LEU 150 CO 0.00 0.12 1.05 0.42 0.23 0.00 0.00 176.35 178.17 3h12 s THR 151 N -1.56 2.64 0.22 5.49 -4.23 -1.26 -4.87 115.64 112.07 3h12 s THR 151 Ca 0.29 -0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.69 3h12 s THR 151 Cb -0.11 -3.16 0.17 0.00 1.34 0.00 0.00 72.50 70.75 3h12 s THR 151 CO 0.22 -0.18 1.84 -0.65 -0.54 0.00 0.00 174.62 175.30 3h12 h PRO 152 N -0.65 1.14 -0.36 3.99 0.11 -1.90 -0.33 132.00 134.00 3h12 h PRO 152 Ca -0.45 -0.13 -0.10 0.00 0.11 0.00 0.00 66.00 65.43 3h12 h PRO 152 Cb 1.30 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3h12 h PRO 152 CO 0.62 0.84 -0.18 -0.44 -0.21 0.00 0.00 178.00 178.64 3h12 h ASP 153 N 1.14 0.66 -0.51 -2.05 3.32 -1.94 -0.39 116.42 116.65 3h12 h ASP 153 Ca 0.29 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3h12 h ASP 153 Cb 0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3h12 h ASP 153 CO -0.05 0.85 0.22 1.56 -1.72 0.00 0.00 179.24 180.10 3h12 h GLN 154 N 0.59 0.74 -0.43 3.56 4.20 -1.76 0.04 115.11 122.05 3h12 h GLN 154 Ca 0.09 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 3h12 h GLN 154 Cb 0.64 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3h12 h GLN 154 CO 0.05 0.64 -0.18 0.00 -0.67 0.00 0.00 178.83 178.66 3h12 h ALA 155 N 1.07 0.88 -0.35 3.87 0.00 -0.80 0.87 119.26 124.79 3h12 h ALA 155 Ca 0.17 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3h12 h ALA 155 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3h12 h ALA 155 CO -0.02 0.63 -0.17 0.00 0.00 0.00 0.00 179.25 179.70 3h12 h ALA 156 N 1.07 1.05 -0.13 0.00 0.00 -0.95 -1.29 119.26 119.01 3h12 h ALA 156 Ca 0.11 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3h12 h ALA 156 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3h12 h ALA 156 CO 0.05 0.57 -0.52 -0.44 0.00 0.00 0.00 179.25 178.92 3h12 h ASP 157 N 0.58 0.38 -0.37 0.00 3.32 -0.51 -0.20 116.42 119.63 3h12 h ASP 157 Ca 0.09 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3h12 h ASP 157 Cb 0.61 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3h12 h ASP 157 CO 0.04 0.83 -0.03 -0.33 -1.72 0.00 0.00 179.24 178.04 3h12 h GLU 158 N 0.27 0.66 -0.27 3.56 5.08 -0.69 -0.64 114.58 122.55 3h12 h GLU 158 Ca 0.01 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3h12 h GLU 158 Cb 1.00 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 3h12 h GLU 158 CO 0.09 0.79 0.05 1.25 -1.00 0.00 0.00 179.01 180.19 3h12 h LEU 159 N 0.47 0.01 -1.42 1.33 5.85 -1.03 -1.74 115.31 118.79 3h12 h LEU 159 Ca 0.10 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3h12 h LEU 159 Cb 0.51 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3h12 h LEU 159 CO 0.02 0.04 0.08 0.00 -0.34 0.00 0.00 178.44 178.25 3h12 h ALA 160 N 1.20 1.54 -0.71 1.25 0.00 -0.83 -0.78 119.26 120.93 3h12 h ALA 160 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3h12 h ALA 160 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3h12 h ALA 160 CO -0.17 0.35 0.40 0.78 0.00 0.00 0.00 179.25 180.61 3h12 h GLY 161 N 0.69 1.05 1.27 0.00 0.00 -0.68 0.39 103.07 105.79 3h12 h GLY 161 Ca 0.11 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 3h12 h GLY 161 CO -0.00 0.45 -0.14 1.49 0.00 0.00 0.00 176.54 178.33 3h12 h TRP 162 N 0.97 0.95 -0.81 5.60 -0.00 -0.47 -1.68 115.95 120.52 3h12 h TRP 162 Ca 0.25 -0.19 0.02 0.00 -0.00 0.00 0.00 58.89 58.97 3h12 h TRP 162 Cb 0.02 -0.24 -0.05 0.00 -0.00 0.00 0.00 29.16 28.90 3h12 h TRP 162 CO -0.01 0.93 0.52 0.28 -0.00 0.00 0.00 178.44 180.17 3h12 h VAL 163 N 0.76 1.16 0.00 1.49 2.07 -0.91 -1.60 116.25 119.21 3h12 h VAL 163 Ca 0.12 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 3h12 h VAL 163 Cb 0.66 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3h12 h VAL 163 CO 0.05 0.19 -0.28 -0.08 0.02 0.00 0.00 177.57 177.46 3h12 h GLU 164 N 1.04 0.00 0.00 1.57 4.57 -0.41 -0.46 114.58 120.89 3h12 h GLU 164 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3h12 h GLU 164 Cb -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3h12 h GLU 164 CO -0.09 0.28 0.00 1.04 -1.18 0.00 0.00 179.01 179.06 3h12 n GLN 165 N -4.15 0.00 0.00 1.92 1.13 -0.68 -4.90 117.38 110.71 3h12 n GLN 165 Ca -0.02 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 3h12 n GLN 165 Cb 0.34 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.19 3h12 n GLN 165 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h12 n GLY 166 N 0.79 1.12 3.77 1.08 0.00 -0.18 -4.98 105.19 106.78 3h12 n GLY 166 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3h12 n GLY 166 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h12 s PHE 167 N -2.00 3.31 -1.68 1.61 0.08 -0.65 -3.33 117.98 115.33 3h12 s PHE 167 Ca 0.00 1.63 0.18 0.00 0.12 0.00 0.00 56.93 58.86 3h12 s PHE 167 Cb 0.00 -3.30 0.49 0.00 -0.57 0.00 0.00 43.02 39.64 3h12 s PHE 167 CO 0.00 -0.88 1.41 0.25 -0.10 0.00 0.00 175.22 175.90 3h12 n THR 168 N 0.50 0.91 -3.51 0.64 -2.24 -1.26 -4.15 114.28 105.16 3h12 n THR 168 Ca 0.02 -0.95 -0.13 0.00 -2.27 0.00 0.00 64.05 60.72 3h12 n THR 168 Cb 0.46 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 3h12 n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h12 s ALA 169 N -1.06 -1.79 0.22 6.98 0.00 -1.26 -1.29 121.76 123.56 3h12 s ALA 169 Ca 0.38 1.18 -0.20 0.00 0.00 0.00 0.00 51.96 53.32 3h12 s ALA 169 Cb 0.20 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.42 3h12 s ALA 169 CO 0.27 -0.49 0.61 0.00 0.00 0.00 0.00 175.76 176.15 3h12 s ALA 170 N -2.00 -1.15 -0.06 0.00 0.00 -0.83 -1.59 121.76 116.13 3h12 s ALA 170 Ca -0.03 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 51.86 3h12 s ALA 170 Cb -0.00 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 3h12 s ALA 170 CO 0.00 -0.88 -0.23 0.21 0.00 0.00 0.00 175.76 174.86 3h12 s LYS 171 N -3.87 2.60 -0.13 0.00 2.20 -0.64 -1.33 119.74 118.57 3h12 s LYS 171 Ca 0.09 -0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 54.80 3h12 s LYS 171 Cb -0.03 -2.22 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 3h12 s LYS 171 CO -0.01 0.40 -0.00 -1.17 -0.36 0.00 0.00 175.35 174.21 3h12 s LEU 172 N -0.20 3.50 0.06 5.43 2.96 0.35 -0.11 118.68 130.68 3h12 s LEU 172 Ca -0.02 0.04 -0.21 0.00 -0.22 0.00 0.00 54.13 53.71 3h12 s LEU 172 Cb -0.13 -1.83 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 3h12 s LEU 172 CO 0.03 0.27 0.62 -0.54 -1.32 0.00 0.00 176.35 175.42 3h12 s LYS 173 N -0.22 4.32 0.21 1.98 -0.14 0.43 -1.01 119.74 125.29 3h12 s LYS 173 Ca 0.05 0.83 -0.01 0.00 -1.36 0.00 0.00 55.97 55.48 3h12 s LYS 173 Cb -0.12 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.70 3h12 s LYS 173 CO 0.02 0.52 0.12 0.14 -0.76 0.00 0.00 175.35 175.40 3h12 s VAL 174 N -0.76 0.09 0.00 3.17 -7.23 -0.12 -4.46 120.40 111.09 3h12 s VAL 174 Ca 0.31 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 3h12 s VAL 174 Cb -0.20 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.23 3h12 s VAL 174 CO 0.20 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 3h12 n GLY 175 N -0.30 1.48 0.13 2.32 0.00 -1.26 -4.31 105.19 103.25 3h12 n GLY 175 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3h12 n GLY 175 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h12 h ARG 176 N 0.00 0.36 -2.55 1.61 2.43 -1.93 -3.43 114.38 110.86 3h12 h ARG 176 Ca 0.00 -0.61 -0.59 0.00 -0.81 0.00 0.00 59.98 57.97 3h12 h ARG 176 Cb 0.00 0.23 -0.39 0.00 -0.42 0.00 0.00 29.97 29.39 3h12 h ARG 176 CO 0.00 1.29 -0.88 0.00 -1.51 0.00 0.00 179.97 178.87 3h12 s ALA 177 N -2.51 1.36 0.45 2.80 0.00 -1.26 -5.02 121.76 117.57 3h12 s ALA 177 Ca -0.15 -2.26 0.13 0.00 0.00 0.00 0.00 51.96 49.67 3h12 s ALA 177 Cb 0.04 -1.65 1.04 0.00 0.00 0.00 0.00 23.12 22.55 3h12 s ALA 177 CO 0.84 -2.05 2.04 -1.35 0.00 0.00 0.00 175.76 175.25 3h12 h PRO 178 N 6.34 0.35 -0.65 0.00 0.11 -1.99 -0.09 132.00 136.06 3h12 h PRO 178 Ca 0.15 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3h12 h PRO 178 Cb 0.93 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 3h12 h PRO 178 CO 0.35 0.23 0.40 0.00 -0.21 0.00 0.00 178.00 178.77 3h12 h ARG 179 N 0.36 0.87 -0.16 1.05 3.08 -2.00 -0.86 114.38 116.72 3h12 h ARG 179 Ca 0.18 -0.07 -0.21 0.00 0.07 0.00 0.00 59.98 59.95 3h12 h ARG 179 Cb 0.27 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.14 3h12 h ARG 179 CO -0.04 0.60 -0.74 0.87 -1.07 0.00 0.00 179.97 179.58 3h12 h LYS 180 N 0.89 0.73 -0.49 0.04 1.57 -1.52 -1.56 116.57 116.22 3h12 h LYS 180 Ca 0.23 -0.58 0.03 0.00 -1.87 0.00 0.00 60.65 58.46 3h12 h LYS 180 Cb -0.06 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3h12 h LYS 180 CO -0.05 1.19 0.28 -0.44 -0.57 0.00 0.00 179.45 179.87 3h12 h ASP 181 N 0.51 0.45 -0.62 0.86 3.32 -0.85 0.36 116.42 120.44 3h12 h ASP 181 Ca -0.04 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3h12 h ASP 181 Cb 1.36 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 3h12 h ASP 181 CO 0.15 0.32 0.31 0.00 -1.72 0.00 0.00 179.24 178.30 3h12 h ALA 182 N 1.22 0.80 -0.67 3.45 0.00 -1.08 -1.16 119.26 121.83 3h12 h ALA 182 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3h12 h ALA 182 Cb 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3h12 h ALA 182 CO -0.10 0.35 0.31 0.00 0.00 0.00 0.00 179.25 179.82 3h12 h ALA 183 N 1.14 1.29 -0.10 0.00 0.00 -0.81 -1.03 119.26 119.76 3h12 h ALA 183 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h12 h ALA 183 Cb 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3h12 h ALA 183 CO -0.03 0.54 0.06 -0.91 0.00 0.00 0.00 179.25 178.92 3h12 h ASN 184 N 0.95 0.11 -0.71 0.00 2.35 -0.63 -1.32 115.58 116.33 3h12 h ASN 184 Ca 0.23 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.99 3h12 h ASN 184 Cb 0.11 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 3h12 h ASN 184 CO -0.03 0.11 0.44 -0.07 -1.65 0.00 0.00 177.43 176.23 3h12 h LEU 185 N 0.11 0.72 -0.50 1.61 3.38 -0.98 0.69 115.31 120.33 3h12 h LEU 185 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3h12 h LEU 185 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3h12 h LEU 185 CO -0.01 0.49 0.20 0.03 0.09 0.00 0.00 178.44 179.24 3h12 h ARG 186 N 0.85 0.75 -0.55 1.13 3.08 -1.05 0.01 114.38 118.60 3h12 h ARG 186 Ca 0.29 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 3h12 h ARG 186 Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3h12 h ARG 186 CO -0.12 0.66 -0.06 0.00 -1.07 0.00 0.00 179.97 179.39 3h12 h ALA 187 N 1.05 0.86 -0.36 0.04 0.00 -0.80 -1.91 119.26 118.14 3h12 h ALA 187 Ca 0.17 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3h12 h ALA 187 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3h12 h ALA 187 CO -0.01 0.65 0.10 0.52 0.00 0.00 0.00 179.25 180.51 3h12 h MET 188 N 0.89 0.57 -0.38 0.00 2.86 -0.54 -1.86 114.93 116.47 3h12 h MET 188 Ca 0.15 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 3h12 h MET 188 Cb 0.60 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3h12 h MET 188 CO 0.04 0.61 -0.23 -0.09 1.06 0.00 0.00 176.91 178.30 3h12 h ARG 189 N 0.43 0.75 -0.54 1.72 9.65 -0.91 -2.11 114.38 123.37 3h12 h ARG 189 Ca 0.11 -0.30 -0.02 0.00 -1.10 0.00 0.00 59.98 58.67 3h12 h ARG 189 Cb 0.29 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 3h12 h ARG 189 CO -0.00 0.91 0.24 0.37 2.80 0.00 0.00 179.97 184.28 3h12 h GLN 190 N 0.65 0.77 -0.16 0.20 4.15 -1.22 -1.88 115.11 117.62 3h12 h GLN 190 Ca 0.09 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 3h12 h GLN 190 Cb 0.73 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.27 3h12 h GLN 190 CO 0.06 0.62 -0.31 -0.09 -1.93 0.00 0.00 178.83 177.17 3h12 h ARG 191 N 0.77 0.50 0.00 1.69 9.65 -0.69 -3.35 114.38 122.95 3h12 h ARG 191 Ca 0.19 -0.32 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 3h12 h ARG 191 Cb 0.12 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 3h12 h ARG 191 CO -0.02 0.92 -1.25 1.33 2.80 0.00 0.00 179.97 183.76 3h12 n VAL 192 N -4.36 0.02 -3.43 0.20 0.24 -0.93 -5.07 118.33 105.00 3h12 n VAL 192 Ca -0.06 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3h12 n VAL 192 Cb 0.48 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 3h12 n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h12 n GLY 193 N 1.42 -1.79 0.15 7.63 0.00 -0.71 -4.63 105.19 107.26 3h12 n GLY 193 Ca 0.02 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.69 3h12 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h12 h ALA 194 N 0.00 0.68 0.00 4.61 0.00 -1.97 -3.38 119.26 119.19 3h12 h ALA 194 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h12 h ALA 194 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h12 h ALA 194 CO 0.00 0.02 -0.36 -0.44 0.00 0.00 0.00 179.25 178.47 3h12 h ASP 195 N 0.00 0.00 -3.48 0.00 3.32 -1.98 -3.45 116.42 110.83 3h12 h ASP 195 Ca -0.00 -0.10 -0.53 0.00 0.02 0.00 0.00 57.03 56.41 3h12 h ASP 195 Cb 1.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 3h12 h ASP 195 CO 0.00 0.05 0.28 -0.69 -1.72 0.00 0.00 179.24 177.16 3h12 s VAL 196 N -3.15 4.68 0.05 -1.35 1.01 -1.26 -4.96 120.40 115.42 3h12 s VAL 196 Ca 0.08 1.88 -0.20 0.00 0.00 0.00 0.00 61.98 63.74 3h12 s VAL 196 Cb 0.12 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 3h12 s VAL 196 CO 0.67 0.30 0.59 -1.61 0.00 0.00 0.00 175.10 175.05 3h12 s GLU 197 N 0.23 4.27 -0.22 2.72 0.41 -0.41 -4.97 118.70 120.72 3h12 s GLU 197 Ca 0.44 0.76 -0.01 0.00 -0.41 0.00 0.00 54.97 55.76 3h12 s GLU 197 Cb -0.22 -3.28 0.02 0.00 -1.78 0.00 0.00 34.13 28.88 3h12 s GLU 197 CO 0.26 0.54 -0.10 0.42 -0.49 0.00 0.00 175.26 175.90 3h12 s ILE 198 N -0.78 2.74 0.08 -1.63 1.01 -1.26 -1.96 121.20 119.40 3h12 s ILE 198 Ca 0.30 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3h12 s ILE 198 Cb -0.19 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3h12 s ILE 198 CO 0.19 0.34 0.21 -0.76 0.00 0.00 0.00 174.94 174.92 3h12 s LEU 199 N 1.34 4.30 0.01 2.97 1.02 -0.44 -0.45 118.68 127.44 3h12 s LEU 199 Ca 0.02 0.22 0.05 0.00 0.02 0.00 0.00 54.13 54.45 3h12 s LEU 199 Cb -0.15 -2.91 -0.02 0.00 0.02 0.00 0.00 46.19 43.14 3h12 s LEU 199 CO -0.07 0.15 -0.15 -0.69 0.02 0.00 0.00 176.35 175.61 3h12 s VAL 200 N -1.55 1.17 -0.09 -1.59 1.01 -0.60 -0.50 120.40 118.25 3h12 s VAL 200 Ca 0.34 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3h12 s VAL 200 Cb -0.13 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.29 3h12 s VAL 200 CO 0.28 0.20 0.08 -0.62 0.00 0.00 0.00 175.10 175.03 3h12 s ASP 201 N -0.69 1.61 0.00 3.32 -1.08 -0.18 -0.18 116.67 119.47 3h12 s ASP 201 Ca 0.04 -0.19 0.24 0.00 -0.52 0.00 0.00 52.55 52.12 3h12 s ASP 201 Cb -0.07 -0.17 0.49 0.00 -1.46 0.00 0.00 42.92 41.72 3h12 s ASP 201 CO 0.00 -0.29 1.43 0.00 0.52 0.00 0.00 175.17 176.83 3h12 n ALA 202 N 5.29 2.47 -4.18 3.66 0.00 -0.33 -0.94 120.51 126.48 3h12 n ALA 202 Ca -0.05 -0.73 -0.30 0.00 0.00 0.00 0.00 53.44 52.36 3h12 n ALA 202 Cb 0.50 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 3h12 n ALA 202 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h12 n ASN 203 N 1.06 0.12 -1.80 0.00 4.13 -1.18 -0.80 115.26 116.79 3h12 n ASN 203 Ca 0.17 -1.16 -0.20 0.00 1.68 0.00 0.00 54.58 55.07 3h12 n ASN 203 Cb 0.52 -2.23 -0.06 0.00 -1.54 0.00 0.00 39.78 36.47 3h12 n ASN 203 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h12 n GLN 204 N -4.48 -1.47 -0.01 3.52 6.02 0.27 -4.58 117.38 116.64 3h12 n GLN 204 Ca -0.28 1.14 0.13 0.00 -0.01 0.00 0.00 57.00 57.98 3h12 n GLN 204 Cb 0.67 -5.58 0.38 0.00 1.02 0.00 0.00 30.24 26.73 3h12 n GLN 204 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3h12 n SER 205 N -1.46 2.00 -4.55 1.08 3.41 0.02 -3.96 113.62 110.16 3h12 n SER 205 Ca -0.21 -1.67 -0.29 0.00 -0.26 0.00 0.00 58.87 56.43 3h12 n SER 205 Cb 0.67 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 3h12 n SER 205 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h12 s LEU 206 N -1.98 2.93 0.82 1.04 1.43 -1.23 -4.47 118.68 117.22 3h12 s LEU 206 Ca 0.35 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 3h12 s LEU 206 Cb 0.21 -1.73 0.10 0.00 0.03 0.00 0.00 46.19 44.80 3h12 s LEU 206 CO 0.32 0.17 1.18 -0.83 0.23 0.00 0.00 176.35 177.42 3h12 s GLY 207 N -2.23 1.65 0.18 -3.19 0.00 -1.26 -4.30 107.32 98.17 3h12 s GLY 207 Ca 0.20 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.96 3h12 s GLY 207 CO 0.13 -0.30 1.80 3.21 0.00 0.00 0.00 173.10 177.93 3h12 h ARG 208 N -1.09 0.54 -0.29 2.90 3.08 -1.97 0.00 114.38 117.55 3h12 h ARG 208 Ca -0.45 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.39 3h12 h ARG 208 Cb 1.31 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 3h12 h ARG 208 CO 0.59 0.35 -0.50 0.45 -1.07 0.00 0.00 179.97 179.79 3h12 h HIS 209 N 0.55 1.06 0.00 3.04 3.86 -1.99 0.84 115.15 122.52 3h12 h HIS 209 Ca 0.22 -0.37 -0.09 0.00 -1.16 0.00 0.00 60.37 58.96 3h12 h HIS 209 Cb 0.09 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3h12 h HIS 209 CO -0.09 1.19 -0.45 -0.44 0.86 0.00 0.00 177.93 179.00 3h12 h ASP 210 N 0.63 0.00 0.37 2.45 3.32 -1.93 -1.91 116.42 119.35 3h12 h ASP 210 Ca 0.02 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 3h12 h ASP 210 Cb 1.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 3h12 h ASP 210 CO 0.11 0.45 -0.58 0.00 -1.72 0.00 0.00 179.24 177.50 3h12 h ALA 211 N 1.55 0.89 -0.71 3.45 0.00 -0.57 0.13 119.26 124.00 3h12 h ALA 211 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3h12 h ALA 211 Cb 0.81 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3h12 h ALA 211 CO 0.06 0.72 0.28 -0.07 0.00 0.00 0.00 179.25 180.23 3h12 h LEU 212 N 0.16 0.98 -0.52 0.00 3.38 -0.55 0.17 115.31 118.93 3h12 h LEU 212 Ca -0.00 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 3h12 h LEU 212 Cb 1.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3h12 h LEU 212 CO 0.09 0.89 -0.18 0.00 0.09 0.00 0.00 178.44 179.33 3h12 h ALA 213 N 1.13 0.72 -0.23 1.53 0.00 -1.05 -2.68 119.26 118.68 3h12 h ALA 213 Ca 0.24 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3h12 h ALA 213 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h12 h ALA 213 CO -0.02 0.67 -0.52 1.98 0.00 0.00 0.00 179.25 181.37 3h12 h MET 214 N 0.87 0.66 -0.50 0.00 1.85 -0.59 -2.69 114.93 114.54 3h12 h MET 214 Ca 0.12 -0.40 -0.01 0.00 -0.61 0.00 0.00 59.70 58.79 3h12 h MET 214 Cb 0.76 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.80 3h12 h MET 214 CO 0.06 1.02 0.25 1.25 -0.40 0.00 0.00 176.91 179.09 3h12 h LEU 215 N 0.52 0.62 -1.03 3.39 5.85 -0.48 -0.34 115.31 123.83 3h12 h LEU 215 Ca 0.02 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3h12 h LEU 215 Cb 1.08 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 3h12 h LEU 215 CO 0.10 0.52 0.65 0.03 -0.34 0.00 0.00 178.44 179.40 3h12 h ARG 216 N 0.70 1.23 -0.36 1.25 3.08 -1.15 0.42 114.38 119.56 3h12 h ARG 216 Ca 0.18 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 60.00 3h12 h ARG 216 Cb 0.05 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3h12 h ARG 216 CO -0.03 0.82 -0.39 0.82 -1.07 0.00 0.00 179.97 180.12 3h12 h ILE 217 N 1.27 1.28 -0.71 2.04 2.04 -1.03 -1.82 117.51 120.57 3h12 h ILE 217 Ca 0.39 -1.57 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 3h12 h ILE 217 Cb -0.02 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3h12 h ILE 217 CO -0.12 0.52 0.18 -0.07 0.00 0.00 0.00 178.15 178.67 3h12 h LEU 218 N 0.70 1.07 -0.28 1.44 3.38 -0.72 -0.34 115.31 120.55 3h12 h LEU 218 Ca 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3h12 h LEU 218 Cb 0.99 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3h12 h LEU 218 CO 0.10 1.02 0.08 -0.78 0.09 0.00 0.00 178.44 178.95 3h12 h ASP 219 N 1.08 0.41 -0.98 -0.43 3.58 -0.82 -0.58 116.42 118.67 3h12 h ASP 219 Ca 0.23 -0.21 0.05 0.00 0.42 0.00 0.00 57.03 57.52 3h12 h ASP 219 Cb 0.36 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 3h12 h ASP 219 CO 0.00 0.51 0.64 -0.08 -2.88 0.00 0.00 179.24 177.43 3h12 h GLU 220 N 0.29 1.17 -0.09 0.28 4.57 -0.97 -1.38 114.58 118.45 3h12 h GLU 220 Ca 0.09 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3h12 h GLU 220 Cb 0.25 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3h12 h GLU 220 CO -0.00 0.77 0.00 0.00 -1.18 0.00 0.00 179.01 178.60 3h12 n ALA 221 N -2.36 2.54 -2.69 2.92 0.00 -0.17 -4.92 120.51 115.82 3h12 n ALA 221 Ca 0.14 -0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 3h12 n ALA 221 Cb 0.13 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.47 3h12 n ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h12 n GLY 222 N 0.83 -0.24 3.78 0.00 0.00 -0.52 -4.96 105.19 104.08 3h12 n GLY 222 Ca 0.10 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3h12 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h12 h TYR 224 N 1.74 0.84 -3.46 0.00 3.20 -1.11 -3.40 116.97 114.77 3h12 h TYR 224 Ca -0.49 -0.46 -0.05 0.00 3.14 0.00 0.00 58.73 60.86 3h12 h TYR 224 Cb 1.24 -0.09 -0.12 0.00 1.54 0.00 0.00 36.73 39.30 3h12 h TYR 224 CO 0.54 1.30 -0.09 1.67 -1.64 0.00 0.00 178.16 179.94 3h12 s TRP 225 N -3.22 -0.05 -0.29 -3.82 -2.14 -1.26 -1.95 118.94 106.20 3h12 s TRP 225 Ca -0.11 -0.29 0.02 0.00 2.66 0.00 0.00 56.10 58.38 3h12 s TRP 225 Cb 0.05 0.24 0.08 0.00 -3.10 0.00 0.00 33.47 30.75 3h12 s TRP 225 CO 0.88 -0.78 -0.00 0.12 -2.66 0.00 0.00 176.95 174.50 3h12 s PHE 226 N -3.86 2.92 -0.10 1.66 5.36 0.59 -1.55 117.98 122.99 3h12 s PHE 226 Ca 0.08 -2.30 -0.12 0.00 -0.96 0.00 0.00 56.93 53.63 3h12 s PHE 226 Cb 0.01 -2.15 -0.05 0.00 -0.34 0.00 0.00 43.02 40.49 3h12 s PHE 226 CO -0.06 -0.87 0.28 -2.00 -1.46 0.00 0.00 175.22 171.10 3h12 s GLU 227 N 1.20 3.91 -1.32 10.12 2.12 0.75 -0.98 118.70 134.50 3h12 s GLU 227 Ca 0.02 0.11 -0.19 0.00 0.36 0.00 0.00 54.97 55.27 3h12 s GLU 227 Cb -0.19 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 30.93 3h12 s GLU 227 CO -0.10 0.54 0.47 0.39 -0.54 0.00 0.00 175.26 176.02 3h12 n GLU 228 N 2.58 -0.90 0.23 4.30 1.02 -0.40 -1.19 120.64 126.28 3h12 n GLU 228 Ca -0.15 0.16 0.06 0.00 -0.02 0.00 0.00 57.16 57.21 3h12 n GLU 228 Cb 0.53 -3.24 0.53 0.00 -0.02 0.00 0.00 31.44 29.23 3h12 n GLU 228 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3h12 h PRO 229 N -2.22 0.00 -4.54 3.49 0.13 -1.80 0.80 132.00 127.85 3h12 h PRO 229 Ca -0.68 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.22 3h12 h PRO 229 Cb 1.40 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.38 3h12 h PRO 229 CO 0.58 0.20 -0.63 -0.51 -0.23 0.00 0.00 178.00 177.41 3h12 s LEU 230 N -8.24 1.41 0.12 1.56 1.43 -1.26 -3.57 118.68 110.13 3h12 s LEU 230 Ca -0.03 -1.32 -0.34 0.00 -1.03 0.00 0.00 54.13 51.41 3h12 s LEU 230 Cb 0.15 0.33 -0.18 0.00 0.03 0.00 0.00 46.19 46.52 3h12 s LEU 230 CO 0.68 -0.79 0.91 -0.24 0.23 0.00 0.00 176.35 177.13 3h12 n SER 231 N -0.21 -0.01 0.17 2.29 2.88 -1.25 -4.30 113.62 113.19 3h12 n SER 231 Ca -0.01 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.80 3h12 n SER 231 Cb 0.65 -1.02 0.62 0.00 -0.75 0.00 0.00 64.21 63.71 3h12 n SER 231 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3h12 h ILE 232 N 2.20 0.00 0.00 2.46 3.07 -1.96 -1.28 117.51 122.00 3h12 h ILE 232 Ca -0.41 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3h12 h ILE 232 Cb 1.41 0.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 3h12 h ILE 232 CO 0.64 0.00 -0.03 0.47 -1.05 0.00 0.00 178.15 178.17 3h12 n ASP 233 N -2.32 0.46 -4.23 2.16 8.00 -1.26 -4.47 116.55 114.90 3h12 n ASP 233 Ca -0.01 0.51 -0.41 0.00 0.71 0.00 0.00 54.79 55.59 3h12 n ASP 233 Cb 0.07 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 3h12 n ASP 233 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h12 s ASP 234 N -3.85 6.63 0.19 -2.24 2.15 -0.49 -4.88 116.67 114.19 3h12 s ASP 234 Ca 0.12 -3.59 -0.10 0.00 0.43 0.00 0.00 52.55 49.41 3h12 s ASP 234 Cb 0.15 -2.06 0.11 0.00 -0.30 0.00 0.00 42.92 40.83 3h12 s ASP 234 CO 0.58 -0.25 1.75 0.40 -0.17 0.00 0.00 175.17 177.47 3h12 h ILE 235 N 3.95 1.25 -0.48 4.11 2.04 -1.84 -2.94 117.51 123.60 3h12 h ILE 235 Ca 0.16 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 3h12 h ILE 235 Cb 0.86 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3h12 h ILE 235 CO 0.92 0.32 0.18 -0.08 0.00 0.00 0.00 178.15 179.48 3h12 h GLU 236 N 1.00 0.69 -0.42 2.37 4.57 -1.94 -1.27 114.58 119.58 3h12 h GLU 236 Ca 0.23 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3h12 h GLU 236 Cb 0.23 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 3h12 h GLU 236 CO -0.02 0.58 -0.02 0.78 -1.18 0.00 0.00 179.01 179.16 3h12 h GLY 237 N 0.84 0.75 1.25 1.92 0.00 -1.93 -0.28 103.07 105.63 3h12 h GLY 237 Ca 0.16 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 3h12 h GLY 237 CO -0.01 0.45 -0.02 0.45 0.00 0.00 0.00 176.54 177.41 3h12 h HIS 238 N 0.65 0.97 -0.56 5.60 3.86 -1.16 -1.98 115.15 122.53 3h12 h HIS 238 Ca 0.13 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3h12 h HIS 238 Cb 0.43 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 3h12 h HIS 238 CO 0.02 0.89 0.35 -0.09 0.86 0.00 0.00 177.93 179.96 3h12 h ARG 239 N 0.82 0.68 -0.57 2.45 2.43 -0.59 -0.74 114.38 118.86 3h12 h ARG 239 Ca 0.15 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3h12 h ARG 239 Cb 0.52 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 3h12 h ARG 239 CO 0.03 0.45 0.33 0.82 -1.51 0.00 0.00 179.97 180.09 3h12 h ILE 240 N 0.70 1.04 -0.39 1.20 2.04 -0.83 0.23 117.51 121.49 3h12 h ILE 240 Ca 0.22 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 3h12 h ILE 240 Cb -0.01 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3h12 h ILE 240 CO -0.08 0.12 -0.03 -0.07 0.00 0.00 0.00 178.15 178.09 3h12 h LEU 241 N 0.65 0.71 -1.11 1.44 3.38 -1.02 -2.83 115.31 116.53 3h12 h LEU 241 Ca 0.23 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3h12 h LEU 241 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3h12 h LEU 241 CO -0.11 0.87 0.26 -0.09 0.09 0.00 0.00 178.44 179.45 3h12 h ARG 242 N 0.53 0.89 0.00 1.13 2.43 -0.73 -2.35 114.38 116.29 3h12 h ARG 242 Ca 0.11 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3h12 h ARG 242 Cb 0.52 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3h12 h ARG 242 CO 0.03 0.72 0.00 0.00 -1.51 0.00 0.00 179.97 179.20 3h12 n ALA 243 N -2.45 1.51 0.50 2.80 0.00 0.77 -1.50 120.51 122.13 3h12 n ALA 243 Ca 0.05 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3h12 n ALA 243 Cb 0.16 -1.14 0.46 0.00 0.00 0.00 0.00 19.45 18.92 3h12 n ALA 243 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h12 n GLN 244 N -1.37 0.17 -1.75 0.00 1.13 -0.88 -4.90 117.38 109.78 3h12 n GLN 244 Ca 0.03 0.33 -0.09 0.00 -1.94 0.00 0.00 57.00 55.33 3h12 n GLN 244 Cb 0.08 -1.78 -0.02 0.00 0.11 0.00 0.00 30.24 28.63 3h12 n GLN 244 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h12 n GLY 245 N 0.38 0.49 3.90 1.08 0.00 -0.56 -5.02 105.19 105.46 3h12 n GLY 245 Ca 0.03 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 3h12 n GLY 245 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h12 s THR 246 N -2.39 3.19 -2.00 2.61 -4.23 -1.26 -4.96 115.64 106.59 3h12 s THR 246 Ca 0.00 0.20 0.18 0.00 -1.18 0.00 0.00 61.69 60.89 3h12 s THR 246 Cb 0.00 -3.35 0.51 0.00 1.34 0.00 0.00 72.50 71.00 3h12 s THR 246 CO 0.00 -0.43 1.59 -2.65 -0.54 0.00 0.00 174.62 172.59 3h12 n PRO 247 N -2.93 0.85 -3.20 3.99 -0.02 -1.26 -4.76 135.00 127.67 3h12 n PRO 247 Ca 0.06 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.15 3h12 n PRO 247 Cb 0.58 -1.33 -0.06 0.00 -0.02 0.00 0.00 33.50 32.68 3h12 n PRO 247 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h12 s VAL 248 N -2.00 5.10 0.21 -1.45 1.01 -1.26 -4.92 120.40 117.09 3h12 s VAL 248 Ca 0.27 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 3h12 s VAL 248 Cb 0.12 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 3h12 s VAL 248 CO 0.21 0.22 1.01 -0.13 0.00 0.00 0.00 175.10 176.40 3h12 s ARG 249 N 1.25 4.74 -0.16 2.72 0.52 -0.82 -4.86 118.95 122.34 3h12 s ARG 249 Ca 0.28 1.59 -0.21 0.00 -0.52 0.00 0.00 55.73 56.87 3h12 s ARG 249 Cb -0.16 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 3h12 s ARG 249 CO 0.11 0.32 0.65 0.42 0.02 0.00 0.00 175.30 176.82 3h12 s ILE 250 N -0.80 5.03 -0.03 1.52 -1.09 -1.26 -0.30 121.20 124.27 3h12 s ILE 250 Ca 0.44 1.25 0.04 0.00 -2.23 0.00 0.00 60.65 60.16 3h12 s ILE 250 Cb -0.27 -3.97 -0.00 0.00 -1.58 0.00 0.00 42.46 36.63 3h12 s ILE 250 CO 0.34 0.16 -0.16 0.00 -1.23 0.00 0.00 174.94 174.05 3h12 s ALA 251 N 1.56 1.38 0.15 9.38 0.00 -0.16 -0.74 121.76 133.34 3h12 s ALA 251 Ca 0.31 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.44 3h12 s ALA 251 Cb -0.16 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.57 3h12 s ALA 251 CO 0.12 0.27 0.50 -0.08 0.00 0.00 0.00 175.76 176.57 3h12 s THR 252 N -0.04 0.04 0.00 0.00 -1.32 -1.05 -1.27 115.64 111.99 3h12 s THR 252 Ca -0.01 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.10 3h12 s THR 252 Cb -0.10 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 3h12 s THR 252 CO 0.01 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 3h12 n GLY 253 N -0.30 0.00 0.31 6.08 0.00 -1.26 -1.10 105.19 108.92 3h12 n GLY 253 Ca -0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.02 3h12 n GLY 253 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h12 h GLU 254 N 0.00 0.00 -0.20 1.61 4.11 -1.96 -2.43 114.58 115.71 3h12 h GLU 254 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3h12 h GLU 254 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3h12 h GLU 254 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 3h12 n ASN 255 N -3.80 3.17 -4.69 3.06 5.03 -1.26 -4.90 115.26 111.87 3h12 n ASN 255 Ca -0.02 -2.70 -0.32 0.00 0.87 0.00 0.00 54.58 52.41 3h12 n ASN 255 Cb 0.14 -0.40 -0.08 0.00 -1.02 0.00 0.00 39.78 38.42 3h12 n ASN 255 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3h12 s LEU 256 N -2.24 3.51 -0.01 3.41 1.43 -0.91 -5.04 118.68 118.82 3h12 s LEU 256 Ca 0.32 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 3h12 s LEU 256 Cb 0.24 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 3h12 s LEU 256 CO 0.08 0.24 -0.16 -0.31 0.23 0.00 0.00 176.35 176.43 3h12 s TYR 257 N -1.17 1.47 0.45 0.29 2.02 -1.26 -4.64 117.35 114.51 3h12 s TYR 257 Ca 0.22 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 3h12 s TYR 257 Cb -0.12 -0.94 0.00 0.00 -0.40 0.00 0.00 41.96 40.50 3h12 s TYR 257 CO 0.13 -0.02 0.00 0.25 -1.57 0.00 0.00 175.55 174.34 3h12 n THR 258 N 2.65 -0.58 0.31 -0.71 -2.24 0.17 -3.57 114.28 110.30 3h12 n THR 258 Ca -0.15 0.65 0.20 0.00 -2.27 0.00 0.00 64.05 62.49 3h12 n THR 258 Cb 0.54 -1.01 1.03 0.00 -2.10 0.00 0.00 70.33 68.79 3h12 n THR 258 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3h12 h ARG 259 N -1.05 0.00 -0.43 -0.78 0.11 -1.87 -2.42 114.38 107.94 3h12 h ARG 259 Ca -0.13 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.87 3h12 h ARG 259 Cb 1.02 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.08 3h12 h ARG 259 CO 0.05 0.00 -0.05 -0.91 0.10 0.00 0.00 179.97 179.17 3h12 h ASN 260 N 0.00 0.69 -0.30 0.08 4.21 -1.98 -0.28 115.58 118.01 3h12 h ASN 260 Ca 0.00 -0.18 -0.13 0.00 1.21 0.00 0.00 56.30 57.20 3h12 h ASN 260 Cb 0.11 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.11 3h12 h ASN 260 CO 0.00 0.79 -0.29 0.00 -1.29 0.00 0.00 177.43 176.65 3h12 h ALA 261 N 1.28 0.78 -0.13 -0.83 0.00 -1.48 -2.01 119.26 116.86 3h12 h ALA 261 Ca 0.13 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 3h12 h ALA 261 Cb 0.48 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h12 h ALA 261 CO 0.02 0.65 -0.65 0.74 0.00 0.00 0.00 179.25 180.02 3h12 h PHE 262 N 0.69 0.64 -0.61 0.00 0.04 -1.57 -2.22 116.94 113.90 3h12 h PHE 262 Ca 0.08 -0.26 -0.04 0.00 2.80 0.00 0.00 57.97 60.56 3h12 h PHE 262 Cb 0.82 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.84 3h12 h PHE 262 CO 0.04 1.00 0.23 -0.97 -0.60 0.00 0.00 178.31 178.02 3h12 h ASN 263 N 0.36 0.83 -0.66 2.17 -1.24 -0.90 0.09 115.58 116.22 3h12 h ASN 263 Ca -0.01 -0.12 -0.05 0.00 0.71 0.00 0.00 56.30 56.83 3h12 h ASN 263 Cb 1.21 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 40.02 3h12 h ASN 263 CO 0.12 0.75 0.22 0.44 -1.29 0.00 0.00 177.43 177.67 3h12 h ASP 264 N 0.89 0.97 -0.49 1.15 3.32 -0.85 0.10 116.42 121.51 3h12 h ASP 264 Ca 0.21 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 3h12 h ASP 264 Cb 0.19 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3h12 h ASP 264 CO -0.02 0.90 -0.01 1.88 -1.72 0.00 0.00 179.24 180.27 3h12 h TYR 265 N 1.01 0.95 -0.32 4.55 -1.99 -0.91 -2.73 116.97 117.53 3h12 h TYR 265 Ca 0.22 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 3h12 h TYR 265 Cb 0.27 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.74 3h12 h TYR 265 CO 0.02 0.90 0.19 0.82 -0.00 0.00 0.00 178.16 180.10 3h12 h ILE 266 N 0.73 1.11 -0.59 -2.88 2.04 -0.58 -0.78 117.51 116.57 3h12 h ILE 266 Ca 0.14 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 65.87 3h12 h ILE 266 Cb 0.53 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3h12 h ILE 266 CO 0.03 0.11 0.40 0.03 0.00 0.00 0.00 178.15 178.72 3h12 h ARG 267 N 0.41 0.21 -0.56 2.37 3.08 -0.81 -0.61 114.38 118.48 3h12 h ARG 267 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3h12 h ARG 267 Cb 0.01 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3h12 h ARG 267 CO -0.02 0.14 0.00 0.09 -1.07 0.00 0.00 179.97 179.11 3h12 n ASN 268 N -4.44 4.63 -3.53 7.04 3.02 -0.86 -4.95 115.26 116.16 3h12 n ASN 268 Ca 0.10 -2.55 -0.26 0.00 -0.03 0.00 0.00 54.58 51.85 3h12 n ASN 268 Cb 0.50 -0.56 0.04 0.00 -0.61 0.00 0.00 39.78 39.16 3h12 n ASN 268 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3h12 n ASP 269 N 0.79 -5.55 -0.28 6.41 8.00 -0.24 -4.71 116.55 120.97 3h12 n ASP 269 Ca 0.24 -0.54 0.03 0.00 0.71 0.00 0.00 54.79 55.23 3h12 n ASP 269 Cb 0.89 -4.43 0.07 0.00 -0.02 0.00 0.00 41.12 37.63 3h12 n ASP 269 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h12 n ALA 270 N -4.40 2.11 -3.19 2.24 0.00 -0.35 -4.52 120.51 112.39 3h12 n ALA 270 Ca -0.01 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.27 3h12 n ALA 270 Cb 0.56 -0.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 3h12 n ALA 270 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3h12 s ILE 271 N -0.96 0.02 -0.16 0.00 2.07 -1.26 -4.24 121.20 116.67 3h12 s ILE 271 Ca 0.10 -0.19 0.06 0.00 -1.41 0.00 0.00 60.65 59.22 3h12 s ILE 271 Cb 0.05 -0.47 -0.15 0.00 0.13 0.00 0.00 42.46 42.02 3h12 s ILE 271 CO 0.07 -0.10 -0.07 0.47 -1.91 0.00 0.00 174.94 173.40 3h12 n ASP 272 N 2.34 2.08 -3.92 4.50 8.00 0.09 -4.93 116.55 124.70 3h12 n ASP 272 Ca -0.16 -0.05 -0.29 0.00 0.71 0.00 0.00 54.79 55.00 3h12 n ASP 272 Cb 0.57 0.22 -0.16 0.00 -0.02 0.00 0.00 41.12 41.73 3h12 n ASP 272 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h12 s VAL 273 N -2.36 1.28 -0.07 2.53 1.01 -0.68 -2.07 120.40 120.05 3h12 s VAL 273 Ca -0.17 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 3h12 s VAL 273 Cb 0.05 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3h12 s VAL 273 CO 0.50 0.13 0.71 -0.76 0.00 0.00 0.00 175.10 175.68 3h12 s LEU 274 N 1.56 4.32 -0.25 3.92 1.02 0.20 -2.54 118.68 126.90 3h12 s LEU 274 Ca -0.00 1.20 0.12 0.00 0.02 0.00 0.00 54.13 55.47 3h12 s LEU 274 Cb -0.16 -3.10 0.49 0.00 0.02 0.00 0.00 46.19 43.45 3h12 s LEU 274 CO -0.08 -0.13 1.42 0.00 0.02 0.00 0.00 176.35 177.59 3h12 n GLN 275 N 3.81 2.06 -1.66 1.70 6.02 -0.26 -1.20 117.38 127.86 3h12 n GLN 275 Ca -0.01 -3.06 -0.47 0.00 -0.01 0.00 0.00 57.00 53.45 3h12 n GLN 275 Cb 0.51 -1.79 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 3h12 n GLN 275 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h12 n ALA 276 N -1.00 0.95 -2.72 -1.58 0.00 -1.26 -1.30 120.51 113.60 3h12 n ALA 276 Ca 0.28 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.82 3h12 n ALA 276 Cb 0.95 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 3h12 n ALA 276 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h12 s ASP 277 N 0.78 6.42 0.60 0.00 -1.08 -1.26 -4.38 116.67 117.74 3h12 s ASP 277 Ca 0.79 0.48 0.30 0.00 -0.52 0.00 0.00 52.55 53.61 3h12 s ASP 277 Cb -0.72 -2.16 1.81 0.00 -1.46 0.00 0.00 42.92 40.39 3h12 s ASP 277 CO 0.40 0.15 2.21 0.00 0.52 0.00 0.00 175.17 178.46 3h12 h ALA 278 N 6.42 1.57 -0.14 3.66 0.00 -1.81 0.93 119.26 129.90 3h12 h ALA 278 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3h12 h ALA 278 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3h12 h ALA 278 CO 0.73 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.76 3h12 n SER 279 N -3.77 1.93 0.00 0.00 3.41 -1.26 -0.98 113.62 112.96 3h12 n SER 279 Ca -0.02 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 3h12 n SER 279 Cb 0.16 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3h12 n SER 279 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h12 n ARG 280 N 0.50 0.00 0.00 4.33 1.74 -0.41 -3.58 116.66 119.23 3h12 n ARG 280 Ca 0.17 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.39 3h12 n ARG 280 Cb 0.39 -0.76 0.53 0.00 -1.02 0.00 0.00 32.46 31.60 3h12 n ARG 280 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h12 n ALA 281 N -2.18 2.83 0.00 7.54 0.00 0.19 -2.99 120.51 125.90 3h12 n ALA 281 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3h12 n ALA 281 Cb 0.31 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3h12 n ALA 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h12 n GLY 282 N 1.38 0.18 0.00 0.00 0.00 -1.26 -0.66 105.19 104.83 3h12 n GLY 282 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3h12 n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h12 n GLY 283 N 0.00 2.26 0.37 -0.02 0.00 -0.15 -4.01 105.19 103.63 3h12 n GLY 283 Ca 0.00 -2.08 0.08 0.00 0.00 0.00 0.00 46.02 44.02 3h12 n GLY 283 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h12 h ILE 284 N 0.60 0.94 -0.44 -0.61 2.04 -1.82 -0.05 117.51 118.16 3h12 h ILE 284 Ca 0.00 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3h12 h ILE 284 Cb 0.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 3h12 h ILE 284 CO 0.00 0.16 0.27 0.74 0.00 0.00 0.00 178.15 179.32 3h12 h THR 285 N 0.86 1.13 -0.08 -0.27 2.02 -1.91 -0.46 112.91 114.20 3h12 h THR 285 Ca 0.43 -0.29 -0.25 0.00 0.77 0.00 0.00 66.41 67.08 3h12 h THR 285 Cb 0.48 0.53 0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3h12 h THR 285 CO -0.19 0.13 -0.91 -0.08 0.37 0.00 0.00 175.52 174.84 3h12 h GLU 286 N 0.59 0.75 -0.33 6.66 4.57 -1.71 -3.18 114.58 121.92 3h12 h GLU 286 Ca 0.16 -0.70 -0.07 0.00 -1.18 0.00 0.00 59.36 57.57 3h12 h GLU 286 Cb -0.02 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3h12 h GLU 286 CO -0.03 1.29 -0.09 0.00 -1.18 0.00 0.00 179.01 179.00 3h12 h ALA 287 N 0.49 1.24 -0.94 2.92 0.00 -0.77 -0.96 119.26 121.23 3h12 h ALA 287 Ca -0.09 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.67 3h12 h ALA 287 Cb 1.55 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 3h12 h ALA 287 CO 0.18 0.50 0.57 -0.07 0.00 0.00 0.00 179.25 180.44 3h12 h LEU 288 N 0.51 0.83 -0.25 0.00 3.38 -1.12 0.29 115.31 118.95 3h12 h LEU 288 Ca 0.10 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 3h12 h LEU 288 Cb 0.47 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3h12 h LEU 288 CO 0.03 0.45 -0.52 0.00 0.09 0.00 0.00 178.44 178.48 3h12 h ALA 289 N 1.51 0.40 -0.57 1.53 0.00 -1.34 -1.99 119.26 118.81 3h12 h ALA 289 Ca 0.46 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3h12 h ALA 289 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3h12 h ALA 289 CO -0.26 0.60 0.13 0.82 0.00 0.00 0.00 179.25 180.53 3h12 h ILE 290 N 0.55 1.25 -0.98 0.00 2.04 -0.82 -0.90 117.51 118.65 3h12 h ILE 290 Ca 0.01 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 64.97 3h12 h ILE 290 Cb 1.13 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 3h12 h ILE 290 CO 0.12 0.33 0.65 -1.28 0.00 0.00 0.00 178.15 177.97 3h12 h SER 291 N 0.81 1.12 0.03 1.72 0.87 -0.90 0.74 113.55 117.95 3h12 h SER 291 Ca 0.18 -0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.58 3h12 h SER 291 Cb 0.36 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3h12 h SER 291 CO 0.00 0.81 -0.43 0.00 -0.53 0.00 0.00 176.83 176.69 3h12 h ALA 292 N 1.36 0.88 -0.29 6.23 0.00 -1.14 -2.07 119.26 124.23 3h12 h ALA 292 Ca 0.36 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3h12 h ALA 292 Cb -0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h12 h ALA 292 CO -0.08 0.64 -0.28 0.77 0.00 0.00 0.00 179.25 180.30 3h12 h SER 293 N 0.40 0.59 -0.42 0.00 0.02 -0.73 -0.72 113.55 112.70 3h12 h SER 293 Ca 0.03 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3h12 h SER 293 Cb 0.92 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 3h12 h SER 293 CO 0.08 0.85 0.20 0.00 -1.14 0.00 0.00 176.83 176.82 3h12 h ALA 294 N 1.19 0.55 -0.57 3.77 0.00 -0.58 -2.15 119.26 121.46 3h12 h ALA 294 Ca 0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3h12 h ALA 294 Cb 0.75 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3h12 h ALA 294 CO 0.06 0.12 -0.03 0.00 0.00 0.00 0.00 179.25 179.40 3h12 h ALA 295 N 1.04 0.86 -0.81 0.00 0.00 -0.98 -0.00 119.26 119.37 3h12 h ALA 295 Ca 0.14 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3h12 h ALA 295 Cb 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3h12 h ALA 295 CO -0.02 0.66 0.53 0.77 0.00 0.00 0.00 179.25 181.19 3h12 h SER 296 N 0.93 0.87 -0.01 0.00 0.02 -0.94 -1.28 113.55 113.13 3h12 h SER 296 Ca 0.16 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3h12 h SER 296 Cb 0.58 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3h12 h SER 296 CO 0.03 0.60 0.00 0.00 -1.14 0.00 0.00 176.83 176.33 3h12 n ALA 297 N -2.42 2.57 -3.00 3.77 0.00 -0.83 -4.91 120.51 115.70 3h12 n ALA 297 Ca 0.10 -0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 3h12 n ALA 297 Cb 0.10 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.40 3h12 n ALA 297 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h12 n HIS 298 N -0.64 -1.79 -4.61 0.00 8.25 -0.48 -5.02 115.22 110.93 3h12 n HIS 298 Ca 0.09 0.52 -0.33 0.00 -0.26 0.00 0.00 57.72 57.75 3h12 n HIS 298 Cb 0.05 -3.98 -0.06 0.00 1.12 0.00 0.00 29.99 27.12 3h12 n HIS 298 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h12 s LEU 299 N -5.70 2.27 0.20 2.41 1.43 -0.07 -5.02 118.68 114.20 3h12 s LEU 299 Ca 0.30 -1.63 0.10 0.00 -1.03 0.00 0.00 54.13 51.87 3h12 s LEU 299 Cb -0.13 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 3h12 s LEU 299 CO 0.38 -0.98 -0.13 0.00 0.23 0.00 0.00 176.35 175.85 3h12 s ALA 300 N -2.89 2.85 -0.14 4.21 0.00 -0.88 -3.83 121.76 121.08 3h12 s ALA 300 Ca 0.07 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.49 3h12 s ALA 300 Cb -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 3h12 s ALA 300 CO 0.04 0.43 -0.18 -0.46 0.00 0.00 0.00 175.76 175.59 3h12 s TRP 301 N -1.80 2.72 -0.27 0.00 -0.00 -1.26 -0.63 118.94 117.71 3h12 s TRP 301 Ca 0.25 -1.04 -0.04 0.00 -0.00 0.00 0.00 56.10 55.27 3h12 s TRP 301 Cb -0.08 -1.84 0.09 0.00 -0.00 0.00 0.00 33.47 31.64 3h12 s TRP 301 CO 0.14 -0.45 0.12 -0.80 -0.00 0.00 0.00 176.95 175.96 3h12 s ASN 302 N 0.66 3.36 0.54 5.86 0.01 -0.34 -4.88 114.94 120.15 3h12 s ASN 302 Ca -0.09 -1.19 -0.19 0.00 -0.71 0.00 0.00 52.86 50.68 3h12 s ASN 302 Cb -0.16 -0.39 -0.06 0.00 0.41 0.00 0.00 41.25 41.05 3h12 s ASN 302 CO 0.02 -0.42 1.10 -2.16 -1.51 0.00 0.00 177.10 174.14 3h12 s PRO 303 N 2.05 3.42 0.32 -0.60 0.04 -1.26 -4.16 135.00 134.81 3h12 s PRO 303 Ca 0.07 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 3h12 s PRO 303 Cb -0.16 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 3h12 s PRO 303 CO -0.30 -0.77 1.30 -1.58 0.04 0.00 0.00 177.00 175.69 3h12 s HIS 304 N -1.90 3.08 0.00 0.56 5.65 -0.42 -4.37 115.29 117.89 3h12 s HIS 304 Ca 0.70 1.42 0.00 0.00 0.25 0.00 0.00 55.06 57.43 3h12 s HIS 304 Cb -0.21 -3.66 0.00 0.00 -1.18 0.00 0.00 32.58 27.53 3h12 s HIS 304 CO 0.27 -1.81 0.31 0.25 -0.65 0.00 0.00 174.74 173.11 3h12 n THR 305 N 0.92 0.05 -2.56 0.89 -2.24 -1.26 -4.26 114.28 105.82 3h12 n THR 305 Ca 0.00 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 3h12 n THR 305 Cb 0.42 1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 70.03 3h12 n THR 305 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3h12 s PHE 306 N -0.05 2.42 0.13 4.78 5.36 -1.26 -3.65 117.98 125.70 3h12 s PHE 306 Ca 0.00 0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.12 3h12 s PHE 306 Cb 0.00 -4.58 0.00 0.00 -0.34 0.00 0.00 43.02 38.10 3h12 s PHE 306 CO 0.00 -1.87 0.00 -1.71 -1.46 0.00 0.00 175.22 170.18 3h12 n ASN 307 N 8.99 -1.17 -3.40 6.13 5.15 -1.26 -4.72 115.26 124.98 3h12 n ASN 307 Ca 0.05 0.32 -0.09 0.00 -0.60 0.00 0.00 54.58 54.27 3h12 n ASN 307 Cb 0.49 1.34 -0.01 0.00 -0.53 0.00 0.00 39.78 41.07 3h12 n ASN 307 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3h12 s ASP 308 N -2.00 0.06 0.52 1.20 1.47 -1.26 -4.84 116.67 111.81 3h12 s ASP 308 Ca 0.00 -1.02 0.33 0.00 1.18 0.00 0.00 52.55 53.04 3h12 s ASP 308 Cb 0.00 0.75 1.34 0.00 -0.34 0.00 0.00 42.92 44.67 3h12 s ASP 308 CO 0.00 -1.45 1.96 -0.29 0.68 0.00 0.00 175.17 176.07 3h12 h ILE 309 N 2.06 0.00 -0.05 2.11 6.09 -1.66 -1.21 117.51 124.84 3h12 h ILE 309 Ca -0.27 -0.48 -0.11 0.00 -1.37 0.00 0.00 64.86 62.63 3h12 h ILE 309 Cb 1.25 1.45 0.01 0.00 0.47 0.00 0.00 36.82 40.00 3h12 h ILE 309 CO 0.35 0.00 -0.41 0.40 -3.07 0.00 0.00 178.15 175.42 3h12 h ILE 310 N 0.00 1.42 -0.65 2.19 2.04 -1.97 0.23 117.51 120.77 3h12 h ILE 310 Ca 0.00 -1.84 -0.05 0.00 1.00 0.00 0.00 64.86 63.96 3h12 h ILE 310 Cb 0.49 2.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 3h12 h ILE 310 CO 0.00 0.53 0.19 0.71 0.00 0.00 0.00 178.15 179.59 3h12 h THR 311 N -0.12 1.24 0.29 -0.27 1.35 -1.77 0.12 112.91 113.75 3h12 h THR 311 Ca -0.04 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 3h12 h THR 311 Cb 1.08 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 3h12 h THR 311 CO 0.08 0.33 -0.36 0.58 -0.25 0.00 0.00 175.52 175.91 3h12 h VAL 312 N 0.97 0.26 -0.63 6.82 2.07 -1.21 -2.58 116.25 121.95 3h12 h VAL 312 Ca 0.21 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.67 3h12 h VAL 312 Cb 0.29 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3h12 h VAL 312 CO -0.01 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.72 3h12 h ALA 313 N -0.20 0.83 -0.32 1.67 0.00 -0.46 0.44 119.26 121.23 3h12 h ALA 313 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3h12 h ALA 313 Cb 0.65 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3h12 h ALA 313 CO -0.10 0.56 0.21 0.00 0.00 0.00 0.00 179.25 179.91 3h12 h ALA 314 N 1.04 0.40 -0.19 0.00 0.00 -0.79 -1.23 119.26 118.49 3h12 h ALA 314 Ca 0.20 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3h12 h ALA 314 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3h12 h ALA 314 CO 0.01 -0.13 -0.31 -0.91 0.00 0.00 0.00 179.25 177.91 3h12 h ASN 315 N 0.43 0.40 -0.17 0.00 4.21 -1.26 -3.06 115.58 116.13 3h12 h ASN 315 Ca 0.12 -0.14 -0.08 0.00 1.21 0.00 0.00 56.30 57.40 3h12 h ASN 315 Cb -0.04 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.04 3h12 h ASN 315 CO -0.02 0.70 -0.15 0.25 -1.29 0.00 0.00 177.43 176.92 3h12 h LEU 316 N 0.34 0.55 -0.49 1.61 5.85 -0.17 0.21 115.31 123.20 3h12 h LEU 316 Ca 0.04 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3h12 h LEU 316 Cb 0.72 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3h12 h LEU 316 CO 0.06 0.72 0.32 0.45 -0.34 0.00 0.00 178.44 179.65 3h12 h HIS 317 N 0.51 0.61 -0.26 1.25 3.86 -1.16 0.61 115.15 120.56 3h12 h HIS 317 Ca 0.09 0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.16 3h12 h HIS 317 Cb 0.55 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 3h12 h HIS 317 CO 0.02 0.38 -0.43 1.25 0.86 0.00 0.00 177.93 180.01 3h12 h LEU 318 N 0.66 0.83 -0.51 2.43 6.46 -1.29 -2.78 115.31 121.11 3h12 h LEU 318 Ca 0.18 -0.52 0.03 0.00 -0.12 0.00 0.00 57.88 57.45 3h12 h LEU 318 Cb -0.07 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.58 3h12 h LEU 318 CO -0.04 1.20 0.29 0.58 -0.62 0.00 0.00 178.44 179.85 3h12 h VAL 319 N 0.50 1.03 -0.63 1.05 2.07 -0.38 -2.21 116.25 117.68 3h12 h VAL 319 Ca 0.02 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3h12 h VAL 319 Cb 1.03 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3h12 h VAL 319 CO 0.10 0.11 0.42 0.00 0.02 0.00 0.00 177.57 178.21 3h12 h ALA 320 N 1.24 1.70 -0.00 1.67 0.00 -0.81 -2.07 119.26 120.99 3h12 h ALA 320 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h12 h ALA 320 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3h12 h ALA 320 CO -0.11 0.23 -0.14 0.00 0.00 0.00 0.00 179.25 179.23 3h12 n ALA 321 N -2.46 2.69 -2.79 0.00 0.00 -0.88 -0.48 120.51 116.59 3h12 n ALA 321 Ca 0.08 -0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 3h12 n ALA 321 Cb 0.16 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 3h12 n ALA 321 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h12 s SER 322 N -2.95 5.61 -1.05 0.00 0.01 -0.78 -4.04 113.70 110.50 3h12 s SER 322 Ca 0.15 0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.39 3h12 s SER 322 Cb 0.19 -1.54 0.13 0.00 0.21 0.00 0.00 66.02 65.01 3h12 s SER 322 CO 0.57 0.18 2.43 -0.81 0.41 0.00 0.00 173.24 176.02 3h12 n PRO 323 N 0.53 4.06 -4.36 12.44 -0.04 -1.26 -4.69 135.00 141.68 3h12 n PRO 323 Ca -0.09 -3.29 -0.27 0.00 -0.04 0.00 0.00 63.50 59.82 3h12 n PRO 323 Cb 0.52 -2.48 -0.11 0.00 -0.04 0.00 0.00 33.50 31.39 3h12 n PRO 323 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3h12 s HIS 324 N -1.69 2.46 0.32 0.54 3.76 -1.26 -5.02 115.29 114.40 3h12 s HIS 324 Ca 0.54 -0.29 -0.29 0.00 -0.15 0.00 0.00 55.06 54.87 3h12 s HIS 324 Cb 0.24 -1.21 -0.11 0.00 1.11 0.00 0.00 32.58 32.61 3h12 s HIS 324 CO -0.14 0.51 1.50 -2.14 -0.85 0.00 0.00 174.74 173.61 3h12 s PRO 325 N -2.74 4.17 0.06 8.40 0.02 -1.26 -4.94 135.00 138.71 3h12 s PRO 325 Ca 0.23 2.49 -0.24 0.00 0.02 0.00 0.00 61.00 63.50 3h12 s PRO 325 Cb -0.08 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.36 3h12 s PRO 325 CO 0.12 -0.51 0.73 0.00 -0.33 0.00 0.00 177.00 177.01 3h12 s ALA 326 N -0.58 3.41 -0.46 -1.55 0.00 -1.26 -4.90 121.76 116.42 3h12 s ALA 326 Ca 0.57 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.83 3h12 s ALA 326 Cb -0.45 -2.93 0.20 0.00 0.00 0.00 0.00 23.12 19.93 3h12 s ALA 326 CO 0.54 0.14 0.59 -0.12 0.00 0.00 0.00 175.76 176.91 3h12 n MET 327 N 2.53 0.47 -3.26 0.00 0.00 -1.22 -4.59 117.12 111.04 3h12 n MET 327 Ca -0.04 -2.53 -0.41 0.00 0.00 0.00 0.00 57.70 54.72 3h12 n MET 327 Cb 0.50 -1.51 -0.08 0.00 0.00 0.00 0.00 33.22 32.13 3h12 n MET 327 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 3h12 s PHE 328 N 0.33 3.20 0.10 1.12 5.36 0.29 -4.78 117.98 123.59 3h12 s PHE 328 Ca 0.32 0.29 -0.31 0.00 -0.96 0.00 0.00 56.93 56.27 3h12 s PHE 328 Cb 0.06 -2.84 -0.10 0.00 -0.34 0.00 0.00 43.02 39.80 3h12 s PHE 328 CO -0.14 -0.46 1.79 -2.00 -1.46 0.00 0.00 175.22 172.96 3h12 s GLU 329 N 2.34 4.15 -0.21 10.12 2.12 -1.26 -0.55 118.70 135.41 3h12 s GLU 329 Ca 0.19 2.52 0.00 0.00 0.36 0.00 0.00 54.97 58.04 3h12 s GLU 329 Cb -0.16 -3.66 0.05 0.00 0.26 0.00 0.00 34.13 30.63 3h12 s GLU 329 CO 0.12 -0.83 -0.06 -0.46 -0.54 0.00 0.00 175.26 173.50 3h12 s TRP 330 N 2.92 2.21 -0.13 5.30 -0.11 -0.44 -4.71 118.94 123.98 3h12 s TRP 330 Ca 0.80 -1.57 -0.29 0.00 1.22 0.00 0.00 56.10 56.26 3h12 s TRP 330 Cb -0.44 -1.52 -0.06 0.00 -1.50 0.00 0.00 33.47 29.96 3h12 s TRP 330 CO 0.36 -0.73 1.96 0.34 -4.62 0.00 0.00 176.95 174.25 3h12 s ASP 331 N 1.46 6.07 -0.10 5.86 -1.08 -1.26 -1.35 116.67 126.27 3h12 s ASP 331 Ca -0.04 2.09 0.16 0.00 -0.52 0.00 0.00 52.55 54.25 3h12 s ASP 331 Cb -0.18 -2.52 0.60 0.00 -1.46 0.00 0.00 42.92 39.36 3h12 s ASP 331 CO -0.07 -1.44 1.52 2.30 0.52 0.00 0.00 175.17 178.00 3h12 n ILE 332 N 6.59 1.77 -2.36 4.11 -6.64 -0.26 -4.93 119.36 117.63 3h12 n ILE 332 Ca 0.23 -1.30 -0.25 0.00 -1.77 0.00 0.00 62.75 59.67 3h12 n ILE 332 Cb 0.44 0.13 0.08 0.00 -1.44 0.00 0.00 39.64 38.85 3h12 n ILE 332 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 3h12 s THR 333 N -1.88 2.30 -0.07 7.28 -4.23 -1.26 -4.97 115.64 112.81 3h12 s THR 333 Ca 0.44 -0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 60.24 3h12 s THR 333 Cb 0.29 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.19 3h12 s THR 333 CO 0.20 0.00 1.59 -2.28 -0.54 0.00 0.00 174.62 173.58 3h12 s HIS 334 N -3.18 2.13 -0.29 3.99 2.46 -1.26 -4.92 115.29 114.22 3h12 s HIS 334 Ca 0.62 0.33 0.05 0.00 0.47 0.00 0.00 55.06 56.54 3h12 s HIS 334 Cb -0.09 -3.85 0.20 0.00 -0.13 0.00 0.00 32.58 28.72 3h12 s HIS 334 CO 0.44 -3.49 0.62 1.21 -2.47 0.00 0.00 174.74 171.05 3h12 s ASN 335 N 3.10 -1.57 0.60 9.88 3.84 -1.26 -4.91 114.94 124.62 3h12 s ASN 335 Ca 0.70 0.19 0.40 0.00 0.21 0.00 0.00 52.86 54.36 3h12 s ASN 335 Cb -0.31 2.00 2.11 0.00 -0.55 0.00 0.00 41.25 44.49 3h12 s ASN 335 CO 0.27 -0.29 2.21 0.44 -2.79 0.00 0.00 177.10 176.95 3h12 h ASP 336 N 7.96 0.00 0.60 -4.21 3.32 -1.91 -0.78 116.42 121.40 3h12 h ASP 336 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3h12 h ASP 336 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3h12 h ASP 336 CO 0.14 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.84 3h12 n LEU 337 N -2.94 0.00 0.01 1.55 4.77 -1.26 -0.46 117.00 118.67 3h12 n LEU 337 Ca -0.02 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 3h12 n LEU 337 Cb 0.10 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 3h12 n LEU 337 CO 0.19 -0.08 -0.22 0.23 -1.33 0.00 0.00 177.39 176.18 3h12 n MET 338 N -1.39 0.32 0.00 3.23 2.81 -0.30 -1.72 117.12 120.07 3h12 n MET 338 Ca 0.08 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 3h12 n MET 338 Cb 0.22 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 3h12 n MET 338 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3h12 n THR 339 N -1.93 0.00 0.52 2.03 -2.24 -0.95 -4.81 114.28 106.89 3h12 n THR 339 Ca 0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 3h12 n THR 339 Cb 0.45 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 3h12 n THR 339 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h12 n ARG 340 N -2.24 2.63 0.00 -0.78 1.74 0.39 -4.52 116.66 113.88 3h12 n ARG 340 Ca 0.00 -0.34 -0.18 0.00 -0.77 0.00 0.00 57.85 56.56 3h12 n ARG 340 Cb 0.45 -1.08 -0.09 0.00 -1.02 0.00 0.00 32.46 30.72 3h12 n ARG 340 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h12 h LEU 341 N 0.67 0.86 -8.48 0.55 5.85 -1.78 -3.43 115.31 109.55 3h12 h LEU 341 Ca 0.00 -0.68 -0.20 0.00 0.84 0.00 0.00 57.88 57.84 3h12 h LEU 341 Cb 0.33 -0.26 -0.15 0.00 0.37 0.00 0.00 40.66 40.96 3h12 h LEU 341 CO 0.00 1.41 -0.61 0.00 -0.34 0.00 0.00 178.44 178.91 3h12 s ALA 342 N -3.55 0.94 -1.54 1.25 0.00 -1.26 -0.26 121.76 117.34 3h12 s ALA 342 Ca -0.11 -1.54 0.30 0.00 0.00 0.00 0.00 51.96 50.62 3h12 s ALA 342 Cb 0.07 1.11 1.55 0.00 0.00 0.00 0.00 23.12 25.85 3h12 s ALA 342 CO 0.89 -0.55 2.06 -1.13 0.00 0.00 0.00 175.76 177.03 3h12 n SER 343 N -0.19 0.06 -4.70 0.00 3.41 -1.22 -4.77 113.62 106.22 3h12 n SER 343 Ca -0.02 -0.32 -0.39 0.00 -0.26 0.00 0.00 58.87 57.88 3h12 n SER 343 Cb 0.65 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 3h12 n SER 343 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3h12 s TYR 344 N -2.48 3.48 0.42 7.33 5.04 -1.26 -5.06 117.35 124.81 3h12 s TYR 344 Ca 0.31 0.97 0.04 0.00 -2.44 0.00 0.00 57.07 55.95 3h12 s TYR 344 Cb 0.20 -2.69 -0.02 0.00 0.35 0.00 0.00 41.96 39.81 3h12 s TYR 344 CO 0.45 0.03 0.15 -0.25 -1.34 0.00 0.00 175.55 174.59 3h12 n ASP 345 N 4.17 1.26 -4.68 4.32 8.00 -1.26 -4.92 116.55 123.44 3h12 n ASP 345 Ca -0.04 -3.21 -0.42 0.00 0.71 0.00 0.00 54.79 51.83 3h12 n ASP 345 Cb 0.51 1.04 -0.03 0.00 -0.02 0.00 0.00 41.12 42.62 3h12 n ASP 345 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3h12 s LEU 346 N 0.00 4.31 -0.22 0.64 2.96 -1.26 -4.96 118.68 120.15 3h12 s LEU 346 Ca 0.21 2.15 -0.04 0.00 -0.22 0.00 0.00 54.13 56.22 3h12 s LEU 346 Cb 0.01 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.23 3h12 s LEU 346 CO 0.15 -0.81 0.11 -0.75 -1.32 0.00 0.00 176.35 173.73 3h12 s LYS 347 N 3.11 0.12 -0.22 1.98 2.20 -1.26 -5.12 119.74 120.56 3h12 s LYS 347 Ca 0.67 -0.25 -0.10 0.00 -0.36 0.00 0.00 55.97 55.93 3h12 s LYS 347 Cb -0.32 -1.52 -0.05 0.00 -1.51 0.00 0.00 37.83 34.43 3h12 s LYS 347 CO 0.27 -0.81 0.14 -1.17 -0.36 0.00 0.00 175.35 173.41 3h12 s LEU 348 N 2.14 4.13 -0.07 5.43 2.96 -1.26 -4.42 118.68 127.58 3h12 s LEU 348 Ca 0.05 0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 3h12 s LEU 348 Cb -0.16 -2.09 0.03 0.00 0.50 0.00 0.00 46.19 44.47 3h12 s LEU 348 CO -0.21 0.12 0.02 -1.61 -1.32 0.00 0.00 176.35 173.36 3h12 s GLU 349 N 0.73 0.39 -1.36 1.98 0.41 -0.11 -4.77 118.70 115.98 3h12 s GLU 349 Ca 0.07 0.16 -0.08 0.00 -0.41 0.00 0.00 54.97 54.71 3h12 s GLU 349 Cb -0.12 -0.91 0.05 0.00 -1.78 0.00 0.00 34.13 31.37 3h12 s GLU 349 CO 0.02 -0.34 0.53 0.09 -0.49 0.00 0.00 175.26 175.07 3h12 n ASN 350 N 5.19 -4.37 0.00 -0.19 3.02 -1.26 -1.27 115.26 116.38 3h12 n ASN 350 Ca -0.06 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 3h12 n ASN 350 Cb 0.50 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 3h12 n ASN 350 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h12 n GLY 351 N -1.28 1.18 3.56 7.41 0.00 -1.21 -5.00 105.19 109.85 3h12 n GLY 351 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3h12 n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h12 s LEU 352 N 0.00 2.94 0.35 0.99 1.43 -0.40 -2.40 118.68 121.60 3h12 s LEU 352 Ca 0.00 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.69 3h12 s LEU 352 Cb 0.00 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3h12 s LEU 352 CO 0.00 0.15 0.16 0.68 0.23 0.00 0.00 176.35 177.57 3h12 s VAL 353 N -1.38 2.93 0.01 -1.59 -7.23 0.14 -0.93 120.40 112.34 3h12 s VAL 353 Ca 0.22 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 58.79 3h12 s VAL 353 Cb -0.10 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 3h12 s VAL 353 CO 0.13 -0.15 -0.25 -1.10 -0.31 0.00 0.00 175.10 173.43 3h12 s GLN 354 N -3.87 1.86 0.63 4.82 -1.52 -1.26 -0.43 119.66 119.89 3h12 s GLN 354 Ca 0.39 -0.95 -0.17 0.00 -1.95 0.00 0.00 55.36 52.67 3h12 s GLN 354 Cb -0.02 -1.89 -0.01 0.00 -0.22 0.00 0.00 33.01 30.87 3h12 s GLN 354 CO 0.23 0.51 1.18 -1.25 -0.25 0.00 0.00 175.29 175.70 3h12 s PRO 355 N -0.83 2.79 0.59 2.91 0.04 -1.26 -4.95 135.00 134.28 3h12 s PRO 355 Ca 0.10 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 3h12 s PRO 355 Cb -0.09 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 3h12 s PRO 355 CO 0.00 -1.32 0.89 -2.30 0.04 0.00 0.00 177.00 174.31 3h12 n PRO 356 N -2.00 0.83 0.00 0.56 -0.02 -1.26 -4.95 135.00 128.16 3h12 n PRO 356 Ca 0.13 0.32 0.06 0.00 -2.02 0.00 0.00 63.50 61.99 3h12 n PRO 356 Cb 0.50 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 3h12 n PRO 356 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h12 n GLN 357 N -0.84 2.56 -1.21 -0.52 10.64 -1.26 -4.81 117.38 121.93 3h12 n GLN 357 Ca 0.13 -0.06 -0.22 0.00 -1.83 0.00 0.00 57.00 55.02 3h12 n GLN 357 Cb 0.47 -1.13 0.16 0.00 -0.86 0.00 0.00 30.24 28.88 3h12 n GLN 357 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h12 n GLY 358 N 1.29 -1.83 3.75 2.61 0.00 -1.14 -4.48 105.19 105.39 3h12 n GLY 358 Ca 0.03 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 3h12 n GLY 358 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h12 n PRO 359 N -3.40 2.00 0.00 1.61 -0.02 -1.26 -3.08 135.00 130.85 3h12 n PRO 359 Ca 0.12 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3h12 n PRO 359 Cb 0.43 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3h12 n PRO 359 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h12 n GLY 360 N 0.66 1.17 0.36 -1.23 0.00 0.48 -1.25 105.19 105.37 3h12 n GLY 360 Ca 0.08 -0.71 0.18 0.00 0.00 0.00 0.00 46.02 45.57 3h12 n GLY 360 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h12 h LEU 361 N 0.00 0.00 0.00 0.99 3.38 -1.85 -0.09 115.31 117.74 3h12 h LEU 361 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h12 h LEU 361 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h12 h LEU 361 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3h12 n GLY 362 N -1.49 1.01 3.42 0.83 0.00 -0.38 -4.60 105.19 103.98 3h12 n GLY 362 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 3h12 n GLY 362 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h12 s PHE 363 N -2.00 0.67 0.24 1.61 -0.12 -1.26 -2.90 117.98 114.23 3h12 s PHE 363 Ca 0.00 -0.98 0.09 0.00 -0.05 0.00 0.00 56.93 55.99 3h12 s PHE 363 Cb 0.00 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 3h12 s PHE 363 CO 0.00 -0.83 0.00 -1.21 -0.05 0.00 0.00 175.22 173.13 3h12 s GLU 364 N -4.07 2.34 0.25 1.99 2.02 -1.26 -4.99 118.70 114.99 3h12 s GLU 364 Ca 0.28 -1.33 -0.18 0.00 0.02 0.00 0.00 54.97 53.77 3h12 s GLU 364 Cb 0.03 -2.22 -0.08 0.00 0.10 0.00 0.00 34.13 31.95 3h12 s GLU 364 CO 0.09 0.39 0.72 0.42 0.02 0.00 0.00 175.26 176.90 3h12 s ILE 365 N -2.17 4.62 -0.83 -1.63 -1.09 -1.26 -3.40 121.20 115.45 3h12 s ILE 365 Ca 0.30 1.14 -0.22 0.00 -2.23 0.00 0.00 60.65 59.65 3h12 s ILE 365 Cb -0.07 -3.77 0.09 0.00 -1.58 0.00 0.00 42.46 37.12 3h12 s ILE 365 CO 0.20 0.08 1.14 -0.62 -1.23 0.00 0.00 174.94 174.51 3h12 s ASP 366 N -1.86 6.40 0.38 3.58 -1.08 0.64 -4.88 116.67 119.86 3h12 s ASP 366 Ca 0.46 -1.43 0.28 0.00 -0.52 0.00 0.00 52.55 51.34 3h12 s ASP 366 Cb -0.14 -2.45 1.06 0.00 -1.46 0.00 0.00 42.92 39.92 3h12 s ASP 366 CO 0.20 -1.35 1.82 -0.50 0.52 0.00 0.00 175.17 175.86 3h12 h TRP 367 N 9.37 0.00 -0.30 -5.34 4.06 -1.95 -1.79 115.95 120.00 3h12 h TRP 367 Ca -0.03 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.77 3h12 h TRP 367 Cb 1.04 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.19 3h12 h TRP 367 CO 1.11 0.00 -0.42 -0.44 -3.56 0.00 0.00 178.44 175.14 3h12 h ASP 368 N 0.00 0.79 -0.58 -3.49 3.32 -1.98 -1.01 116.42 113.47 3h12 h ASP 368 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3h12 h ASP 368 Cb 0.52 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3h12 h ASP 368 CO 0.00 1.10 0.31 0.15 -1.72 0.00 0.00 179.24 179.08 3h12 h PHE 369 N 0.60 0.80 -0.45 4.55 3.57 -1.73 -1.70 116.94 122.57 3h12 h PHE 369 Ca 0.05 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3h12 h PHE 369 Cb 0.97 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3h12 h PHE 369 CO 0.05 0.59 0.27 0.28 -2.23 0.00 0.00 178.31 177.26 3h12 h VAL 370 N 0.78 1.15 0.00 1.41 2.07 -1.22 -2.12 116.25 118.31 3h12 h VAL 370 Ca 0.20 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3h12 h VAL 370 Cb 0.06 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3h12 h VAL 370 CO -0.03 0.15 -0.16 0.00 0.02 0.00 0.00 177.57 177.55 3h12 h ALA 371 N 1.12 1.27 -0.00 1.67 0.00 -0.92 -2.46 119.26 119.94 3h12 h ALA 371 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h12 h ALA 371 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3h12 h ALA 371 CO -0.03 0.20 -0.21 0.00 0.00 0.00 0.00 179.25 179.21 3h12 n ALA 372 N -2.30 2.94 -2.29 0.00 0.00 -0.66 -4.18 120.51 114.02 3h12 n ALA 372 Ca -0.02 -0.30 -0.17 0.00 0.00 0.00 0.00 53.44 52.95 3h12 n ALA 372 Cb 0.28 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.50 3h12 n ALA 372 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h12 n HIS 373 N -1.01 2.31 -1.78 0.00 -0.00 -0.93 -5.06 115.22 108.76 3h12 n HIS 373 Ca 0.12 -2.25 -0.42 0.00 -0.00 0.00 0.00 57.72 55.17 3h12 n HIS 373 Cb 0.31 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.99 29.98 3h12 n HIS 373 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h12 s ALA 374 N -3.65 3.83 0.24 -1.41 0.00 -1.25 -1.25 121.76 118.27 3h12 s ALA 374 Ca 0.43 1.56 -0.31 0.00 0.00 0.00 0.00 51.96 53.64 3h12 s ALA 374 Cb 0.38 -3.66 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 3h12 s ALA 374 CO 0.01 -0.93 1.33 1.87 0.00 0.00 0.00 175.76 178.04 3h12 n TRP 375 N 3.13 1.96 -1.20 0.00 -0.00 -0.09 -4.52 117.44 116.73 3h12 n TRP 375 Ca 0.12 0.50 0.08 0.00 -0.00 0.00 0.00 57.50 58.20 3h12 n TRP 375 Cb 0.37 -2.41 0.17 0.00 -0.00 0.00 0.00 31.31 29.44 3h12 n TRP 375 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 3h12 n LYS 376 N 1.81 1.59 0.00 5.87 5.02 -1.26 -4.97 118.16 126.22 3h12 n LYS 376 Ca 0.12 -2.81 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 3h12 n LYS 376 Cb 0.30 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3h12 n LYS 376 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h12 n GLY 377 N -1.23 0.60 3.68 0.72 0.00 -1.26 -5.08 105.19 102.62 3h12 n GLY 377 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3h12 n GLY 377 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h12 n GLU 378 N -1.84 1.28 -2.90 1.61 4.71 -1.26 -5.00 120.64 117.24 3h12 n GLU 378 Ca 0.00 0.48 -0.34 0.00 -0.01 0.00 0.00 57.16 57.28 3h12 n GLU 378 Cb 0.00 -2.36 -0.07 0.00 -1.01 0.00 0.00 31.44 28.01 3h12 n GLU 378 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3h12 s PRO 379 N -2.80 4.30 -0.02 3.49 0.04 -1.26 -5.01 135.00 133.74 3h12 s PRO 379 Ca 0.74 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 3h12 s PRO 379 Cb -0.43 -2.49 -0.33 0.00 0.04 0.00 0.00 34.50 31.29 3h12 s PRO 379 CO 0.48 0.15 0.83 0.00 0.04 0.00 0.00 177.00 178.49 3h12 h ALA 380 N 2.53 -0.02 -2.81 8.56 0.00 -1.95 -3.30 119.26 122.28 3h12 h ALA 380 Ca -0.48 -0.95 -0.14 0.00 0.00 0.00 0.00 54.91 53.34 3h12 h ALA 380 Cb 1.18 0.29 -0.22 0.00 0.00 0.00 0.00 17.79 19.04 3h12 h ALA 380 CO 0.63 0.76 -0.42 -1.50 0.00 0.00 0.00 179.25 178.73 3h12 s ILE 381 N -2.55 0.05 1.11 0.00 2.07 -1.26 -0.68 121.20 119.94 3h12 s ILE 381 Ca -0.13 -0.42 -0.18 0.00 -1.41 0.00 0.00 60.65 58.51 3h12 s ILE 381 Cb 0.04 -0.45 0.25 0.00 0.13 0.00 0.00 42.46 42.42 3h12 s ILE 381 CO 0.88 -0.23 1.18 -0.83 -1.91 0.00 0.00 174.94 174.03 3h12 s GLY 382 N -0.92 1.65 0.27 1.50 0.00 0.11 -4.91 107.32 105.02 3h12 s GLY 382 Ca -0.10 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.32 3h12 s GLY 382 CO 0.02 -0.17 1.56 0.00 0.00 0.00 0.00 173.10 174.51 3h12 n ALA 383 N -4.38 2.24 -1.69 3.20 0.00 -1.26 -4.38 120.51 114.24 3h12 n ALA 383 Ca 0.13 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.66 3h12 n ALA 383 Cb 0.59 -2.43 0.19 0.00 0.00 0.00 0.00 19.45 17.81 3h12 n ALA 383 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h12 s GLY 384 N 0.51 1.70 0.37 0.00 0.00 -1.25 -4.40 107.32 104.25 3h12 s GLY 384 Ca 0.66 -1.04 0.08 0.00 0.00 0.00 0.00 44.72 44.41 3h12 s GLY 384 CO 0.47 -0.28 0.31 0.30 0.00 0.00 0.00 173.10 173.90 3h12 s HIS 385 N -3.60 2.79 0.00 1.90 3.76 0.00 -4.76 115.29 115.38 3h12 s HIS 385 Ca 0.72 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 3h12 s HIS 385 Cb -0.07 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3h12 s HIS 385 CO 0.53 0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.91 3h12 n GLY 386 N -1.42 1.15 0.37 -2.22 0.00 -1.26 -4.89 105.19 96.92 3h12 n GLY 386 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3h12 n GLY 386 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3h12 h MET 387 N 0.00 0.97 0.33 1.61 2.86 -1.95 -0.48 114.93 118.26 3h12 h MET 387 Ca 0.00 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3h12 h MET 387 Cb 0.00 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 3h12 h MET 387 CO 0.00 0.64 -0.32 -0.22 1.06 0.00 0.00 176.91 178.07 3h12 h LYS 388 N 1.00 -0.64 0.00 1.72 3.64 -1.94 0.45 116.57 120.79 3h12 h LYS 388 Ca 0.45 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.78 3h12 h LYS 388 Cb 0.38 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3h12 h LYS 388 CO -0.21 -0.43 -0.43 1.57 -2.27 0.00 0.00 179.45 177.69 3h12 h LYS 389 N -0.67 0.00 -0.80 1.90 5.09 -1.76 -0.88 116.57 119.45 3h12 h LYS 389 Ca -0.02 0.00 0.10 0.00 0.09 0.00 0.00 60.65 60.83 3h12 h LYS 389 Cb 0.61 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.88 3h12 h LYS 389 CO -0.06 0.43 0.52 1.49 -2.09 0.00 0.00 179.45 179.75 3h12 h GLU 390 N 0.00 0.69 0.00 0.07 4.57 -0.84 -3.46 114.58 115.61 3h12 h GLU 390 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3h12 h GLU 390 Cb 0.80 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 3h12 h GLU 390 CO 0.06 0.45 0.00 0.41 -1.18 0.00 0.00 179.01 178.75 3h12 n GLY 391 N -1.45 -0.92 3.60 1.92 0.00 -0.34 -5.09 105.19 102.91 3h12 n GLY 391 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3h12 n GLY 391 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h12 s HIS 392 N -0.07 3.13 -1.94 1.61 5.04 0.06 -5.00 115.29 118.11 3h12 s HIS 392 Ca 0.00 0.67 0.00 0.00 -1.54 0.00 0.00 55.06 54.19 3h12 s HIS 392 Cb 0.00 -3.41 0.00 0.00 0.04 0.00 0.00 32.58 29.21 3h12 s HIS 392 CO 0.00 -0.71 0.49 1.58 -2.34 0.00 0.00 174.74 173.75