#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h56 s THR 5 N 0.00 2.59 0.24 0.00 -4.23 -1.26 -4.84 115.64 108.13 3h56 s THR 5 Ca 0.00 0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 60.65 3h56 s THR 5 Cb 0.00 -3.14 0.20 0.00 1.34 0.00 0.00 72.50 70.90 3h56 s THR 5 CO 0.00 -0.25 1.76 0.00 -0.54 0.00 0.00 174.62 175.59 3h56 h ALA 6 N -0.97 1.07 -0.44 3.99 0.00 -2.05 -1.23 119.26 119.63 3h56 h ALA 6 Ca -0.46 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 3h56 h ALA 6 Cb 1.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3h56 h ALA 6 CO 0.64 -0.09 -0.21 0.00 0.00 0.00 0.00 179.25 179.59 3h56 h ALA 7 N 1.49 0.80 -0.63 0.00 0.00 -1.98 -1.16 119.26 117.77 3h56 h ALA 7 Ca 0.39 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3h56 h ALA 7 Cb 0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3h56 h ALA 7 CO -0.32 0.65 0.20 0.93 0.00 0.00 0.00 179.25 180.71 3h56 h GLU 8 N 0.76 0.98 -0.30 0.00 5.08 -1.71 -1.59 114.58 117.79 3h56 h GLU 8 Ca 0.10 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 3h56 h GLU 8 Cb 0.75 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3h56 h GLU 8 CO 0.06 0.86 -0.34 0.82 -1.00 0.00 0.00 179.01 179.41 3h56 h ILE 9 N 0.91 1.29 0.00 3.13 2.04 -1.14 -2.83 117.51 120.91 3h56 h ILE 9 Ca 0.20 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 3h56 h ILE 9 Cb 0.29 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3h56 h ILE 9 CO -0.01 0.49 -0.04 0.00 0.00 0.00 0.00 178.15 178.60 3h56 h ALA 10 N 0.71 1.48 0.00 1.87 0.00 -1.02 -1.84 119.26 120.46 3h56 h ALA 10 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h56 h ALA 10 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3h56 h ALA 10 CO 0.08 0.05 -0.28 0.00 0.00 0.00 0.00 179.25 179.10 3h56 n ALA 11 N -2.32 2.84 -1.55 0.00 0.00 -0.62 -4.93 120.51 113.93 3h56 n ALA 11 Ca -0.03 -0.20 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 3h56 n ALA 11 Cb 0.13 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.32 3h56 n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h56 s LEU 12 N -3.42 3.44 0.59 0.00 1.43 -0.69 -4.98 118.68 115.04 3h56 s LEU 12 Ca 0.11 2.02 -0.19 0.00 -1.03 0.00 0.00 54.13 55.04 3h56 s LEU 12 Cb 0.17 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.80 3h56 s LEU 12 CO 0.63 -1.57 1.25 -2.84 0.23 0.00 0.00 176.35 174.05 3h56 s PRO 13 N -3.98 2.94 0.20 1.29 0.02 -1.26 -4.70 135.00 129.51 3h56 s PRO 13 Ca 0.68 1.96 0.06 0.00 0.02 0.00 0.00 61.00 63.72 3h56 s PRO 13 Cb -0.21 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 3h56 s PRO 13 CO 0.39 -1.26 0.12 1.03 -0.33 0.00 0.00 177.00 176.96 3h56 s ARG 14 N -3.22 2.78 -0.30 5.54 3.00 -1.26 -1.12 118.95 124.37 3h56 s ARG 14 Ca 0.77 -1.01 -0.06 0.00 0.00 0.00 0.00 55.73 55.42 3h56 s ARG 14 Cb -0.34 -2.54 0.18 0.00 0.00 0.00 0.00 34.95 32.26 3h56 s ARG 14 CO 0.37 0.44 0.83 -1.14 0.00 0.00 0.00 175.30 175.81 3h56 s GLN 15 N -3.37 0.37 -0.57 3.54 0.74 -0.79 -4.94 119.66 114.64 3h56 s GLN 15 Ca 0.31 0.59 -0.03 0.00 0.05 0.00 0.00 55.36 56.29 3h56 s GLN 15 Cb -0.09 0.32 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 3h56 s GLN 15 CO 0.23 -0.45 0.50 1.63 -0.55 0.00 0.00 175.29 176.65 3h56 n LYS 16 N 5.42 -1.18 -4.89 1.67 5.02 -1.20 -0.12 118.16 122.88 3h56 n LYS 16 Ca -0.02 0.65 -0.33 0.00 -2.02 0.00 0.00 58.31 56.60 3h56 n LYS 16 Cb 0.53 -4.02 -0.14 0.00 -0.02 0.00 0.00 35.03 31.38 3h56 n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h56 s VAL 17 N -3.17 2.97 -0.41 -0.18 1.01 -0.61 -4.94 120.40 115.06 3h56 s VAL 17 Ca 0.20 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 3h56 s VAL 17 Cb -0.03 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3h56 s VAL 17 CO 0.43 0.57 0.43 -1.61 0.00 0.00 0.00 175.10 174.92 3h56 s GLU 18 N -0.33 3.14 0.42 2.72 2.02 -1.26 -4.59 118.70 120.80 3h56 s GLU 18 Ca 0.03 -0.73 -0.24 0.00 0.02 0.00 0.00 54.97 54.04 3h56 s GLU 18 Cb -0.13 -3.95 -0.08 0.00 0.10 0.00 0.00 34.13 30.07 3h56 s GLU 18 CO 0.02 -0.82 1.16 -0.51 0.02 0.00 0.00 175.26 175.14 3h56 s LEU 19 N 2.11 4.13 0.25 1.80 1.43 -1.26 -4.80 118.68 122.35 3h56 s LEU 19 Ca 0.12 2.32 0.11 0.00 -1.03 0.00 0.00 54.13 55.65 3h56 s LEU 19 Cb -0.17 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 41.90 3h56 s LEU 19 CO 0.13 -0.74 -0.16 0.68 0.23 0.00 0.00 176.35 176.49 3h56 s VAL 20 N -1.47 2.70 0.13 -1.59 -7.23 -1.26 -5.03 120.40 106.64 3h56 s VAL 20 Ca 0.59 -2.18 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 3h56 s VAL 20 Cb -0.30 -2.39 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 3h56 s VAL 20 CO 0.37 -0.32 1.19 -1.81 -0.31 0.00 0.00 175.10 174.22 3h56 s ASP 21 N -3.32 7.11 0.75 4.85 1.01 -1.26 -4.60 116.67 121.21 3h56 s ASP 21 Ca 0.28 2.11 -0.15 0.00 0.71 0.00 0.00 52.55 55.50 3h56 s ASP 21 Cb -0.06 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.29 3h56 s ASP 21 CO 0.15 -0.40 0.87 -2.65 0.21 0.00 0.00 175.17 173.35 3h56 n PRO 22 N 3.17 0.35 -0.06 8.23 -0.02 -1.26 -2.34 135.00 143.07 3h56 n PRO 22 Ca 0.06 0.17 0.08 0.00 -2.02 0.00 0.00 63.50 61.79 3h56 n PRO 22 Cb 0.46 -2.14 0.33 0.00 -0.02 0.00 0.00 33.50 32.13 3h56 n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3h56 n PRO 23 N -1.82 1.41 -1.62 0.52 -0.04 -1.26 -5.05 135.00 127.14 3h56 n PRO 23 Ca 0.12 -0.62 -0.31 0.00 -0.04 0.00 0.00 63.50 62.65 3h56 n PRO 23 Cb 0.50 -1.28 0.05 0.00 -0.04 0.00 0.00 33.50 32.73 3h56 n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3h56 s PHE 24 N -1.84 3.12 -0.01 0.54 0.40 -0.99 -0.72 117.98 118.48 3h56 s PHE 24 Ca 0.24 1.33 0.04 0.00 -0.60 0.00 0.00 56.93 57.94 3h56 s PHE 24 Cb 0.12 -2.93 -0.01 0.00 0.51 0.00 0.00 43.02 40.72 3h56 s PHE 24 CO 0.19 -1.29 -0.13 0.08 0.70 0.00 0.00 175.22 174.77 3h56 s VAL 25 N -3.10 1.05 0.81 -0.44 1.01 -1.26 -4.68 120.40 113.80 3h56 s VAL 25 Ca 0.58 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 3h56 s VAL 25 Cb -0.14 -0.88 0.08 0.00 0.00 0.00 0.00 36.38 35.44 3h56 s VAL 25 CO 0.55 0.30 1.16 0.00 0.00 0.00 0.00 175.10 177.11 3h56 n HIS 26 N 2.82 1.14 -1.73 5.22 1.44 -1.26 -4.90 115.22 117.95 3h56 n HIS 26 Ca -0.15 0.40 -0.41 0.00 -2.01 0.00 0.00 57.72 55.55 3h56 n HIS 26 Cb 0.55 -2.09 0.00 0.00 0.12 0.00 0.00 29.99 28.57 3h56 n HIS 26 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3h56 n ALA 27 N -3.30 1.68 -3.82 1.59 0.00 -1.26 -4.99 120.51 110.40 3h56 n ALA 27 Ca 0.13 0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.83 3h56 n ALA 27 Cb 0.50 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 3h56 n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3h56 s HIS 28 N -1.14 -0.18 -0.07 0.00 -3.43 -1.26 -5.05 115.29 104.16 3h56 s HIS 28 Ca 0.57 -0.23 0.02 0.00 -0.80 0.00 0.00 55.06 54.62 3h56 s HIS 28 Cb -0.51 0.69 -0.02 0.00 -1.43 0.00 0.00 32.58 31.30 3h56 s HIS 28 CO 0.61 -1.11 -0.13 -1.54 -2.00 0.00 0.00 174.74 170.57 3h56 s SER 29 N -2.92 4.09 0.03 7.38 1.04 -1.26 -5.04 113.70 117.02 3h56 s SER 29 Ca 0.11 -0.22 -0.25 0.00 0.48 0.00 0.00 55.95 56.08 3h56 s SER 29 Cb -0.05 -1.10 -0.18 0.00 0.10 0.00 0.00 66.02 64.80 3h56 s SER 29 CO 0.05 0.29 1.46 1.56 0.98 0.00 0.00 173.24 177.58 3h56 h GLN 30 N 5.73 -0.08 -6.17 4.02 4.20 -1.97 -3.40 115.11 117.45 3h56 h GLN 30 Ca -0.41 0.01 -0.55 0.00 0.06 0.00 0.00 58.65 57.75 3h56 h GLN 30 Cb 1.17 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.92 3h56 h GLN 30 CO 0.52 0.19 0.10 0.08 -0.67 0.00 0.00 178.83 179.06 3h56 s VAL 31 N -5.11 4.88 0.36 -0.54 1.01 -1.26 -3.27 120.40 116.46 3h56 s VAL 31 Ca -0.15 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.05 3h56 s VAL 31 Cb 0.03 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 3h56 s VAL 31 CO 0.65 0.33 1.38 0.00 0.00 0.00 0.00 175.10 177.46 3h56 n ALA 32 N 3.14 1.77 -3.04 5.51 0.00 0.60 -4.95 120.51 123.55 3h56 n ALA 32 Ca -0.03 0.35 -0.44 0.00 0.00 0.00 0.00 53.44 53.32 3h56 n ALA 32 Cb 0.51 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.59 3h56 n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h56 s GLU 33 N -1.97 3.06 1.71 0.00 2.02 -1.26 -4.97 118.70 117.29 3h56 s GLU 33 Ca 0.54 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 54.33 3h56 s GLU 33 Cb -0.53 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 29.46 3h56 s GLU 33 CO 0.63 -1.56 0.00 0.41 0.02 0.00 0.00 175.26 174.76 3h56 n GLY 34 N 5.28 -1.64 3.58 -1.39 0.00 -1.26 -4.95 105.19 104.81 3h56 n GLY 34 Ca -0.08 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 3h56 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h56 n GLY 35 N 0.00 -1.76 3.61 -0.02 0.00 -1.26 -5.00 105.19 100.76 3h56 n GLY 35 Ca 0.00 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 3h56 n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h56 n PRO 36 N -3.88 1.24 -4.35 1.61 -0.02 -1.26 -5.00 135.00 123.34 3h56 n PRO 36 Ca 0.15 0.45 -0.18 0.00 -2.02 0.00 0.00 63.50 61.90 3h56 n PRO 36 Cb 0.55 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.85 3h56 n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h56 s LYS 37 N -2.22 1.34 -0.39 -0.52 1.02 -1.26 -4.35 119.74 113.36 3h56 s LYS 37 Ca 0.66 -1.62 -0.17 0.00 0.02 0.00 0.00 55.97 54.87 3h56 s LYS 37 Cb -0.51 -1.05 0.01 0.00 -0.52 0.00 0.00 37.83 35.76 3h56 s LYS 37 CO 0.54 0.13 0.43 0.08 -0.92 0.00 0.00 175.35 175.61 3h56 s VAL 38 N -3.04 5.09 -0.24 3.17 1.01 -0.28 -1.01 120.40 125.11 3h56 s VAL 38 Ca 0.23 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 3h56 s VAL 38 Cb 0.01 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3h56 s VAL 38 CO 0.07 -0.32 0.39 -0.69 0.00 0.00 0.00 175.10 174.56 3h56 s VAL 39 N 2.15 5.18 -0.19 2.92 1.01 0.39 -1.89 120.40 129.98 3h56 s VAL 39 Ca 0.13 0.65 -0.07 0.00 0.00 0.00 0.00 61.98 62.68 3h56 s VAL 39 Cb -0.17 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3h56 s VAL 39 CO 0.13 0.19 0.06 -1.61 0.00 0.00 0.00 175.10 173.88 3h56 s GLU 40 N 1.75 3.95 0.06 2.72 2.02 0.83 -0.96 118.70 129.07 3h56 s GLU 40 Ca 0.17 -0.35 0.05 0.00 0.02 0.00 0.00 54.97 54.86 3h56 s GLU 40 Cb -0.15 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 3h56 s GLU 40 CO 0.09 0.25 -0.15 -0.06 0.02 0.00 0.00 175.26 175.40 3h56 s PHE 41 N 0.44 1.32 -0.05 1.61 0.40 -0.44 -1.57 117.98 119.70 3h56 s PHE 41 Ca 0.03 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 3h56 s PHE 41 Cb -0.13 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.65 3h56 s PHE 41 CO 0.01 0.07 -0.16 0.99 0.70 0.00 0.00 175.22 176.83 3h56 s THR 42 N -1.06 1.34 0.04 0.64 2.01 -1.26 -0.49 115.64 116.87 3h56 s THR 42 Ca 0.01 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.40 3h56 s THR 42 Cb -0.09 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 3h56 s THR 42 CO 0.02 0.39 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.20 3h56 s MET 43 N 0.23 0.69 -0.05 4.92 -1.94 -0.25 -4.82 119.30 118.09 3h56 s MET 43 Ca -0.08 -0.72 0.06 0.00 -1.71 0.00 0.00 55.69 53.25 3h56 s MET 43 Cb -0.13 -0.61 -0.01 0.00 2.01 0.00 0.00 34.83 36.09 3h56 s MET 43 CO 0.03 0.14 -0.25 0.08 -0.01 0.00 0.00 175.02 175.01 3h56 s VAL 44 N -1.02 2.02 -0.09 -6.03 1.01 -1.26 -1.23 120.40 113.80 3h56 s VAL 44 Ca -0.03 -1.06 -0.21 0.00 0.00 0.00 0.00 61.98 60.69 3h56 s VAL 44 Cb -0.08 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3h56 s VAL 44 CO 0.01 0.56 0.58 -0.63 0.00 0.00 0.00 175.10 175.62 3h56 s ILE 45 N -0.25 5.12 -0.16 2.22 1.01 -0.61 0.29 121.20 128.83 3h56 s ILE 45 Ca -0.01 1.18 -0.02 0.00 0.00 0.00 0.00 60.65 61.80 3h56 s ILE 45 Cb -0.13 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 3h56 s ILE 45 CO 0.03 0.29 -0.09 -1.61 0.00 0.00 0.00 174.94 173.56 3h56 s GLU 46 N 0.70 3.44 -0.32 2.79 2.02 -0.19 -4.36 118.70 122.78 3h56 s GLU 46 Ca 0.31 -0.64 -0.14 0.00 0.02 0.00 0.00 54.97 54.52 3h56 s GLU 46 Cb -0.16 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.26 3h56 s GLU 46 CO 0.14 0.12 0.32 -1.21 0.02 0.00 0.00 175.26 174.64 3h56 s GLU 47 N 0.63 3.68 0.01 1.61 2.02 -1.26 -1.09 118.70 124.30 3h56 s GLU 47 Ca -0.05 -0.37 -0.28 0.00 0.02 0.00 0.00 54.97 54.29 3h56 s GLU 47 Cb -0.15 -3.76 0.07 0.00 0.10 0.00 0.00 34.13 30.39 3h56 s GLU 47 CO 0.03 -0.42 0.63 -1.59 0.02 0.00 0.00 175.26 173.92 3h56 s LYS 48 N 1.94 1.09 0.22 1.61 -2.85 -0.65 -5.00 119.74 116.10 3h56 s LYS 48 Ca 0.11 0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 54.81 3h56 s LYS 48 Cb -0.16 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.03 3h56 s LYS 48 CO 0.11 -0.38 1.15 0.15 0.10 0.00 0.00 175.35 176.48 3h56 s LYS 49 N -1.89 4.55 0.13 1.78 1.02 -1.26 -0.20 119.74 123.88 3h56 s LYS 49 Ca -0.08 1.84 0.05 0.00 0.02 0.00 0.00 55.97 57.79 3h56 s LYS 49 Cb -0.00 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 3h56 s LYS 49 CO 0.03 0.03 -0.11 0.96 -0.92 0.00 0.00 175.35 175.35 3h56 s ILE 50 N -0.49 1.17 -0.20 2.17 -4.36 -0.26 -4.88 121.20 114.36 3h56 s ILE 50 Ca 0.49 -1.87 -0.06 0.00 -0.26 0.00 0.00 60.65 58.95 3h56 s ILE 50 Cb -0.32 -1.65 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 3h56 s ILE 50 CO 0.38 -0.61 0.03 -0.69 0.24 0.00 0.00 174.94 174.29 3h56 s VAL 51 N -2.79 4.30 -0.75 8.37 1.01 -1.26 -1.05 120.40 128.24 3h56 s VAL 51 Ca 0.12 -0.20 0.13 0.00 0.00 0.00 0.00 61.98 62.03 3h56 s VAL 51 Cb -0.01 -2.95 -0.11 0.00 0.00 0.00 0.00 36.38 33.32 3h56 s VAL 51 CO 0.01 0.43 0.60 2.30 0.00 0.00 0.00 175.10 178.44 3h56 n ILE 52 N 4.00 0.00 -4.11 2.22 -5.35 -0.13 -4.80 119.36 111.18 3h56 n ILE 52 Ca -0.17 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 61.94 3h56 n ILE 52 Cb 0.52 1.04 -0.05 0.00 -1.74 0.00 0.00 39.64 39.41 3h56 n ILE 52 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3h56 n ASP 53 N -1.05 -0.82 0.10 7.28 3.85 -1.26 -0.72 116.55 123.93 3h56 n ASP 53 Ca 0.03 -2.68 0.13 0.00 -0.71 0.00 0.00 54.79 51.56 3h56 n ASP 53 Cb 0.22 1.69 0.43 0.00 -1.35 0.00 0.00 41.12 42.11 3h56 n ASP 53 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3h56 n ASP 54 N -1.83 0.72 -1.35 -1.12 5.68 -1.26 -3.07 116.55 114.31 3h56 n ASP 54 Ca 0.04 0.58 0.07 0.00 -0.50 0.00 0.00 54.79 54.98 3h56 n ASP 54 Cb 0.49 -0.77 0.29 0.00 -1.14 0.00 0.00 41.12 39.99 3h56 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h56 n ALA 55 N -1.76 3.04 -1.36 2.12 0.00 -1.26 -4.93 120.51 116.35 3h56 n ALA 55 Ca 0.05 -1.28 -0.07 0.00 0.00 0.00 0.00 53.44 52.14 3h56 n ALA 55 Cb 0.39 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 3h56 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h56 n GLY 56 N 0.93 0.80 3.69 0.00 0.00 -1.17 -4.98 105.19 104.47 3h56 n GLY 56 Ca 0.21 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 3h56 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h56 s THR 57 N -2.29 2.87 -0.09 2.61 2.01 -1.26 -4.90 115.64 114.59 3h56 s THR 57 Ca 0.00 0.38 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 3h56 s THR 57 Cb 0.00 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 3h56 s THR 57 CO 0.00 0.00 0.00 -0.70 -0.69 0.00 0.00 174.62 173.23 3h56 s GLU 58 N 2.49 3.05 0.01 4.92 2.12 -1.26 -0.96 118.70 129.06 3h56 s GLU 58 Ca 0.75 -0.41 0.06 0.00 0.36 0.00 0.00 54.97 55.73 3h56 s GLU 58 Cb -0.42 -2.81 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 3h56 s GLU 58 CO 0.33 0.67 -0.19 0.08 -0.54 0.00 0.00 175.26 175.61 3h56 s VAL 59 N -0.79 1.51 -0.97 3.70 1.01 -0.21 -4.89 120.40 119.76 3h56 s VAL 59 Ca 0.12 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 3h56 s VAL 59 Cb -0.11 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.03 3h56 s VAL 59 CO 0.02 0.31 1.43 -1.00 0.00 0.00 0.00 175.10 175.87 3h56 s HIS 60 N -0.59 2.47 0.50 5.22 3.76 -1.26 -1.10 115.29 124.28 3h56 s HIS 60 Ca 0.07 -0.66 -0.22 0.00 -0.15 0.00 0.00 55.06 54.09 3h56 s HIS 60 Cb -0.08 -4.67 -0.06 0.00 1.11 0.00 0.00 32.58 28.88 3h56 s HIS 60 CO 0.00 -1.96 1.26 0.00 -0.85 0.00 0.00 174.74 173.19 3h56 s ALA 61 N 5.24 2.89 -0.20 -1.40 0.00 0.73 -4.86 121.76 124.15 3h56 s ALA 61 Ca 0.45 1.14 -0.10 0.00 0.00 0.00 0.00 51.96 53.44 3h56 s ALA 61 Cb -0.02 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3h56 s ALA 61 CO -0.05 -1.02 0.13 -1.64 0.00 0.00 0.00 175.76 173.18 3h56 s MET 62 N -2.81 4.19 -0.11 0.00 -1.94 -0.73 -1.64 119.30 116.26 3h56 s MET 62 Ca 0.68 -0.22 -0.04 0.00 -1.71 0.00 0.00 55.69 54.40 3h56 s MET 62 Cb -0.35 -3.43 0.06 0.00 2.01 0.00 0.00 34.83 33.13 3h56 s MET 62 CO 0.41 0.29 0.22 0.00 -0.01 0.00 0.00 175.02 175.93 3h56 s ALA 63 N 0.40 -0.38 0.01 3.03 0.00 -0.25 -1.77 121.76 122.81 3h56 s ALA 63 Ca 0.08 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 3h56 s ALA 63 Cb -0.11 -0.93 -0.07 0.00 0.00 0.00 0.00 23.12 22.01 3h56 s ALA 63 CO -0.02 -0.61 1.64 -0.06 0.00 0.00 0.00 175.76 176.72 3h56 s PHE 64 N 2.36 2.23 -1.51 0.00 0.08 -1.25 -1.02 117.98 118.87 3h56 s PHE 64 Ca 0.02 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.35 3h56 s PHE 64 Cb -0.12 -3.93 0.00 0.00 -0.57 0.00 0.00 43.02 38.40 3h56 s PHE 64 CO -0.07 -3.81 0.00 0.09 -0.10 0.00 0.00 175.22 171.33 3h56 n ASN 65 N 6.26 -4.45 0.00 1.36 4.13 0.14 -2.17 115.26 120.54 3h56 n ASN 65 Ca 0.16 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.67 3h56 n ASN 65 Cb 0.42 -3.89 0.00 0.00 -1.54 0.00 0.00 39.78 34.77 3h56 n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h56 n GLY 66 N -0.60 0.63 3.46 7.41 0.00 -0.86 -5.02 105.19 110.22 3h56 n GLY 66 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3h56 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h56 s THR 67 N -2.58 2.53 -0.22 2.61 -4.23 -0.92 -4.96 115.64 107.87 3h56 s THR 67 Ca 0.00 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 3h56 s THR 67 Cb 0.00 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.64 3h56 s THR 67 CO 0.00 -0.20 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.13 3h56 s VAL 68 N -1.92 1.53 0.94 2.29 1.01 -1.26 -3.27 120.40 119.72 3h56 s VAL 68 Ca 0.24 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 3h56 s VAL 68 Cb -0.07 -1.75 0.15 0.00 0.00 0.00 0.00 36.38 34.71 3h56 s VAL 68 CO 0.12 -0.02 1.13 -2.16 0.00 0.00 0.00 175.10 174.17 3h56 s PRO 69 N 1.41 0.91 0.99 2.72 0.04 -1.26 -1.76 135.00 138.05 3h56 s PRO 69 Ca -0.04 0.32 -0.12 0.00 0.04 0.00 0.00 61.00 61.20 3h56 s PRO 69 Cb -0.18 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 32.74 3h56 s PRO 69 CO -0.07 -2.36 1.08 0.20 0.04 0.00 0.00 177.00 175.90 3h56 s GLY 70 N -3.90 1.58 0.63 0.56 0.00 0.17 -4.72 107.32 101.64 3h56 s GLY 70 Ca 0.64 -0.17 -0.16 0.00 0.00 0.00 0.00 44.72 45.03 3h56 s GLY 70 CO 0.54 0.41 1.13 2.56 0.00 0.00 0.00 173.10 177.74 3h56 s PRO 71 N -4.84 2.89 -0.19 2.90 0.04 -1.26 -4.45 135.00 130.08 3h56 s PRO 71 Ca 0.65 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 3h56 s PRO 71 Cb -0.20 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3h56 s PRO 71 CO 0.59 -1.20 1.01 -1.17 0.04 0.00 0.00 177.00 176.27 3h56 s LEU 72 N -4.60 4.15 -0.15 -3.56 2.96 -1.26 -4.28 118.68 111.94 3h56 s LEU 72 Ca 0.69 1.40 -0.13 0.00 -0.22 0.00 0.00 54.13 55.87 3h56 s LEU 72 Cb -0.22 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 3h56 s LEU 72 CO 0.38 -0.59 0.27 -0.04 -1.32 0.00 0.00 176.35 175.05 3h56 s MET 73 N 2.79 4.18 -0.18 1.98 -1.94 -1.16 -4.55 119.30 120.41 3h56 s MET 73 Ca 0.45 0.06 -0.00 0.00 -1.71 0.00 0.00 55.69 54.49 3h56 s MET 73 Cb -0.16 -3.40 0.01 0.00 2.01 0.00 0.00 34.83 33.29 3h56 s MET 73 CO 0.10 0.31 -0.15 0.08 -0.01 0.00 0.00 175.02 175.35 3h56 s VAL 74 N 0.27 2.58 0.40 -6.03 1.01 -1.26 -0.46 120.40 116.90 3h56 s VAL 74 Ca 0.16 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.41 3h56 s VAL 74 Cb -0.13 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3h56 s VAL 74 CO 0.04 0.50 0.18 0.68 0.00 0.00 0.00 175.10 176.50 3h56 s VAL 75 N 1.18 0.38 0.24 2.92 -7.23 -0.52 -5.00 120.40 112.37 3h56 s VAL 75 Ca 0.02 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.27 3h56 s VAL 75 Cb -0.14 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 3h56 s VAL 75 CO -0.06 0.00 0.01 -1.00 -0.31 0.00 0.00 175.10 173.74 3h56 s HIS 76 N -3.26 2.76 0.18 2.82 3.76 -1.26 -0.98 115.29 119.31 3h56 s HIS 76 Ca 0.28 -0.19 -0.33 0.00 -0.15 0.00 0.00 55.06 54.66 3h56 s HIS 76 Cb 0.02 -1.26 -0.15 0.00 1.11 0.00 0.00 32.58 32.30 3h56 s HIS 76 CO 0.18 0.58 1.33 0.94 -0.85 0.00 0.00 174.74 176.93 3h56 n GLN 77 N -0.67 1.58 -0.89 1.40 7.27 0.40 -1.45 117.38 125.02 3h56 n GLN 77 Ca -0.08 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.56 3h56 n GLN 77 Cb 0.58 -2.18 0.00 0.00 2.41 0.00 0.00 30.24 31.05 3h56 n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3h56 n ASP 78 N 2.37 -0.47 -4.64 1.69 10.43 0.11 -4.75 116.55 121.29 3h56 n ASP 78 Ca 0.15 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.21 3h56 n ASP 78 Cb 0.26 -0.70 0.18 0.00 1.84 0.00 0.00 41.12 42.70 3h56 n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3h56 s ASP 79 N -2.66 2.59 -0.14 -2.24 -0.00 -0.53 -4.70 116.67 109.00 3h56 s ASP 79 Ca 0.00 1.78 -0.04 0.00 -0.00 0.00 0.00 52.55 54.29 3h56 s ASP 79 Cb 0.00 -2.38 -0.03 0.00 -0.00 0.00 0.00 42.92 40.50 3h56 s ASP 79 CO 0.00 -3.24 0.02 -0.31 -0.00 0.00 0.00 175.17 171.64 3h56 s TYR 80 N -2.69 3.17 -0.25 4.23 1.51 -0.18 -0.95 117.35 122.20 3h56 s TYR 80 Ca 0.66 0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 56.65 3h56 s TYR 80 Cb -0.22 -1.94 -0.05 0.00 -0.11 0.00 0.00 41.96 39.64 3h56 s TYR 80 CO 0.60 0.23 0.16 -1.17 -1.11 0.00 0.00 175.55 174.26 3h56 s LEU 81 N -0.12 4.01 -0.29 -1.29 0.20 0.19 -0.46 118.68 120.92 3h56 s LEU 81 Ca 0.05 0.03 0.03 0.00 0.69 0.00 0.00 54.13 54.93 3h56 s LEU 81 Cb -0.12 -2.09 0.07 0.00 -0.43 0.00 0.00 46.19 43.62 3h56 s LEU 81 CO 0.02 0.01 -0.04 -0.70 -0.29 0.00 0.00 176.35 175.35 3h56 s GLU 82 N 1.36 2.02 -0.20 1.98 2.12 -0.13 -1.51 118.70 124.34 3h56 s GLU 82 Ca 0.07 -1.52 -0.07 0.00 0.36 0.00 0.00 54.97 53.81 3h56 s GLU 82 Cb -0.15 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 3h56 s GLU 82 CO 0.07 -0.70 0.06 -1.17 -0.54 0.00 0.00 175.26 172.98 3h56 s LEU 83 N 1.05 3.68 -0.29 2.70 2.96 0.09 -1.32 118.68 127.55 3h56 s LEU 83 Ca -0.02 -0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.70 3h56 s LEU 83 Cb -0.20 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3h56 s LEU 83 CO -0.06 0.11 0.51 -0.89 -1.32 0.00 0.00 176.35 174.71 3h56 s THR 84 N 0.72 5.05 -0.14 3.68 2.01 0.36 -1.17 115.64 126.15 3h56 s THR 84 Ca 0.03 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.72 3h56 s THR 84 Cb -0.13 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 3h56 s THR 84 CO 0.02 -0.03 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.55 3h56 s LEU 85 N 2.35 2.55 -0.09 4.42 2.96 -0.10 -1.09 118.68 129.68 3h56 s LEU 85 Ca 0.20 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 3h56 s LEU 85 Cb -0.15 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 44.97 3h56 s LEU 85 CO 0.11 0.13 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.42 3h56 s ILE 86 N 0.54 1.89 -0.38 6.68 1.01 -0.36 -1.69 121.20 128.90 3h56 s ILE 86 Ca -0.10 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 3h56 s ILE 86 Cb -0.16 -1.64 0.10 0.00 0.01 0.00 0.00 42.46 40.77 3h56 s ILE 86 CO 0.04 0.52 0.13 0.21 0.00 0.00 0.00 174.94 175.85 3h56 s ASN 87 N 0.37 5.08 0.65 3.58 2.47 -0.36 -1.57 114.94 125.16 3h56 s ASN 87 Ca -0.17 -1.96 -0.18 0.00 0.42 0.00 0.00 52.86 50.97 3h56 s ASN 87 Cb -0.17 -1.76 -0.02 0.00 -1.45 0.00 0.00 41.25 37.85 3h56 s ASN 87 CO 0.08 -0.46 1.10 -2.65 -3.72 0.00 0.00 177.10 171.45 3h56 n PRO 88 N 4.51 0.89 0.21 0.43 -0.02 -1.26 -0.06 135.00 139.70 3h56 n PRO 88 Ca -0.02 0.36 0.15 0.00 -2.02 0.00 0.00 63.50 61.96 3h56 n PRO 88 Cb 0.42 -2.33 0.67 0.00 -0.02 0.00 0.00 33.50 32.24 3h56 n PRO 88 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3h56 h GLU 89 N 0.33 0.00 0.00 -0.52 4.11 -1.90 -1.68 114.58 114.92 3h56 h GLU 89 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3h56 h GLU 89 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3h56 h GLU 89 CO 0.51 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.84 3h56 n THR 90 N -2.62 0.52 -1.38 -1.06 -2.24 -1.26 -4.69 114.28 101.55 3h56 n THR 90 Ca 0.00 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 3h56 n THR 90 Cb 0.20 -0.65 0.10 0.00 -2.10 0.00 0.00 70.33 67.87 3h56 n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3h56 s ASN 91 N -4.14 4.32 -0.00 3.42 0.01 -0.63 -5.00 114.94 112.91 3h56 s ASN 91 Ca 0.10 1.53 0.08 0.00 -0.71 0.00 0.00 52.86 53.86 3h56 s ASN 91 Cb 0.13 -2.26 -0.09 0.00 0.41 0.00 0.00 41.25 39.45 3h56 s ASN 91 CO 0.55 -2.11 0.33 0.35 -1.51 0.00 0.00 177.10 174.72 3h56 n THR 92 N -3.54 0.00 -4.39 1.60 -2.24 -1.26 -4.72 114.28 99.73 3h56 n THR 92 Ca 0.08 -0.31 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 3h56 n THR 92 Cb 0.55 0.99 -0.12 0.00 -2.10 0.00 0.00 70.33 69.65 3h56 n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h56 s LEU 93 N -2.39 2.38 0.34 3.22 1.43 -1.26 -4.90 118.68 117.50 3h56 s LEU 93 Ca 0.03 -0.80 -0.27 0.00 -1.03 0.00 0.00 54.13 52.06 3h56 s LEU 93 Cb 0.06 -1.12 -0.09 0.00 0.03 0.00 0.00 46.19 45.07 3h56 s LEU 93 CO 0.32 0.12 1.07 -0.32 0.23 0.00 0.00 176.35 177.77 3h56 s MET 94 N -2.37 4.39 0.13 1.70 -2.45 -1.26 -4.14 119.30 115.30 3h56 s MET 94 Ca 0.16 1.64 0.01 0.00 -1.25 0.00 0.00 55.69 56.25 3h56 s MET 94 Cb -0.09 -2.85 -0.04 0.00 1.25 0.00 0.00 34.83 33.10 3h56 s MET 94 CO 0.07 0.03 -0.00 -1.01 1.05 0.00 0.00 175.02 175.16 3h56 s HIS 95 N -1.43 0.99 0.00 4.11 0.09 -0.77 -4.87 115.29 113.41 3h56 s HIS 95 Ca 0.51 -1.06 0.00 0.00 -0.00 0.00 0.00 55.06 54.52 3h56 s HIS 95 Cb -0.27 -0.57 0.00 0.00 -0.00 0.00 0.00 32.58 31.74 3h56 s HIS 95 CO 0.34 -0.29 0.00 0.27 -0.00 0.00 0.00 174.74 175.05 3h56 n ASN 96 N -0.13 0.00 -3.74 1.40 6.94 -1.26 -0.86 115.26 117.62 3h56 n ASN 96 Ca -0.08 -0.81 -0.12 0.00 -0.02 0.00 0.00 54.58 53.54 3h56 n ASN 96 Cb 0.63 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.92 3h56 n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 3h56 s ILE 97 N -2.70 -0.03 -0.28 1.53 2.07 -1.26 -4.09 121.20 116.43 3h56 s ILE 97 Ca 0.00 0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 59.30 3h56 s ILE 97 Cb 0.00 -0.39 0.02 0.00 0.13 0.00 0.00 42.46 42.22 3h56 s ILE 97 CO 0.00 0.04 0.04 -0.62 -1.91 0.00 0.00 174.94 172.49 3h56 s ASP 98 N 0.99 4.89 -0.32 4.50 3.68 0.56 -1.25 116.67 129.71 3h56 s ASP 98 Ca -0.07 -0.80 -0.17 0.00 2.13 0.00 0.00 52.55 53.64 3h56 s ASP 98 Cb -0.08 -1.81 -0.01 0.00 -1.45 0.00 0.00 42.92 39.57 3h56 s ASP 98 CO -0.07 -0.18 0.46 -0.36 0.13 0.00 0.00 175.17 175.15 3h56 s PHE 99 N 1.43 3.21 0.12 -5.34 0.40 0.29 -1.47 117.98 116.62 3h56 s PHE 99 Ca 0.01 0.25 0.33 0.00 -0.60 0.00 0.00 56.93 56.92 3h56 s PHE 99 Cb -0.17 -2.79 1.59 0.00 0.51 0.00 0.00 43.02 42.16 3h56 s PHE 99 CO 0.00 -0.43 2.00 0.45 0.70 0.00 0.00 175.22 177.95 3h56 h HIS 100 N 8.35 0.00 0.00 0.36 3.86 -1.53 -1.69 115.15 124.50 3h56 h HIS 100 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3h56 h HIS 100 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 3h56 h HIS 100 CO 0.73 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.52 3h56 h ALA 101 N 2.05 1.00 -2.30 2.45 0.00 -1.90 -3.47 119.26 117.10 3h56 h ALA 101 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3h56 h ALA 101 Cb 0.26 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h56 h ALA 101 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.11 3h56 s ALA 102 N -3.30 3.64 -0.19 0.00 0.00 -0.64 -4.59 121.76 116.68 3h56 s ALA 102 Ca 0.06 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3h56 s ALA 102 Cb 0.09 -2.22 0.03 0.00 0.00 0.00 0.00 23.12 21.01 3h56 s ALA 102 CO 0.57 -0.01 -0.18 0.99 0.00 0.00 0.00 175.76 177.12 3h56 s THR 103 N -2.33 2.07 0.00 0.00 2.01 -1.26 -4.76 115.64 111.38 3h56 s THR 103 Ca 0.42 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.36 3h56 s THR 103 Cb -0.10 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.48 3h56 s THR 103 CO 0.36 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 3h56 n GLY 104 N 4.59 3.13 4.08 4.40 0.00 -1.26 -4.96 105.19 115.16 3h56 n GLY 104 Ca -0.20 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 3h56 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h56 n ALA 105 N -0.52 -2.11 -3.81 4.61 0.00 -1.26 -0.85 120.51 116.58 3h56 n ALA 105 Ca 0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 53.44 52.82 3h56 n ALA 105 Cb 0.00 -1.52 0.04 0.00 0.00 0.00 0.00 19.45 17.97 3h56 n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h56 n LEU 106 N -4.51 -2.84 0.00 0.00 4.77 -1.26 -0.91 117.00 112.25 3h56 n LEU 106 Ca -0.28 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3h56 n LEU 106 Cb 0.67 -2.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 3h56 n LEU 106 CO 0.78 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3h56 n GLY 107 N -1.71 0.75 0.00 -0.72 0.00 -0.03 -2.26 105.19 101.22 3h56 n GLY 107 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3h56 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h56 n GLY 108 N -2.36 1.16 0.35 -0.02 0.00 -0.08 -0.54 105.19 103.70 3h56 n GLY 108 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3h56 n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h56 h GLY 109 N 0.00 1.06 2.00 -0.02 0.00 -0.44 -1.69 103.07 103.98 3h56 h GLY 109 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3h56 h GLY 109 CO 0.00 0.26 0.00 -1.33 0.00 0.00 0.00 176.54 175.47 3h56 h GLY 110 N 0.85 0.00 -0.99 4.60 0.00 -1.51 -3.14 103.07 102.87 3h56 h GLY 110 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3h56 h GLY 110 CO -0.11 0.00 -0.01 1.04 0.00 0.00 0.00 176.54 177.46 3h56 n LEU 111 N -2.46 2.01 -0.17 3.11 4.77 -0.66 -4.68 117.00 118.92 3h56 n LEU 111 Ca 0.03 -0.99 0.06 0.00 -0.03 0.00 0.00 56.01 55.08 3h56 n LEU 111 Cb 0.31 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.48 3h56 n LEU 111 CO 0.25 0.38 0.47 0.35 -1.33 0.00 0.00 177.39 177.50 3h56 n THR 112 N 0.66 1.23 -2.16 -5.08 -2.24 -1.05 -4.96 114.28 100.67 3h56 n THR 112 Ca 0.07 -1.45 -0.42 0.00 -2.27 0.00 0.00 64.05 59.98 3h56 n THR 112 Cb 0.31 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 3h56 n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h56 s GLU 113 N -1.81 3.27 -0.15 -0.78 2.02 -1.25 -4.20 118.70 115.79 3h56 s GLU 113 Ca 0.19 1.00 0.01 0.00 0.02 0.00 0.00 54.97 56.19 3h56 s GLU 113 Cb 0.17 -4.17 0.00 0.00 0.10 0.00 0.00 34.13 30.23 3h56 s GLU 113 CO 0.02 -1.95 -0.18 0.96 0.02 0.00 0.00 175.26 174.13 3h56 s ILE 114 N 6.77 2.40 0.70 -1.63 -4.36 -0.04 -4.96 121.20 120.08 3h56 s ILE 114 Ca 0.68 -0.86 -0.11 0.00 -0.26 0.00 0.00 60.65 60.10 3h56 s ILE 114 Cb -0.16 -1.99 0.01 0.00 1.25 0.00 0.00 42.46 41.56 3h56 s ILE 114 CO 0.30 0.53 1.09 0.20 0.24 0.00 0.00 174.94 177.30 3h56 s ASN 115 N 0.83 5.49 0.06 4.36 0.02 -1.26 -1.84 114.94 122.60 3h56 s ASN 115 Ca -0.06 1.14 -0.36 0.00 -1.02 0.00 0.00 52.86 52.56 3h56 s ASN 115 Cb -0.15 -1.95 -0.16 0.00 0.02 0.00 0.00 41.25 39.01 3h56 s ASN 115 CO -0.01 -1.31 1.45 -2.65 0.02 0.00 0.00 177.10 174.59 3h56 n PRO 116 N -2.99 1.40 -0.12 -0.60 -0.02 -1.26 -1.24 135.00 130.17 3h56 n PRO 116 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3h56 n PRO 116 Cb 0.57 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3h56 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h56 n GLY 117 N 2.92 0.62 3.57 -1.23 0.00 0.91 -4.73 105.19 107.26 3h56 n GLY 117 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3h56 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h56 s GLU 118 N -0.88 2.03 0.25 1.61 2.02 -0.38 -4.89 118.70 118.47 3h56 s GLU 118 Ca 0.00 -1.41 0.03 0.00 0.02 0.00 0.00 54.97 53.61 3h56 s GLU 118 Cb 0.00 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 3h56 s GLU 118 CO 0.00 0.39 0.04 -1.59 0.02 0.00 0.00 175.26 174.12 3h56 s LYS 119 N -3.18 1.40 0.03 1.61 -2.85 -1.26 -1.22 119.74 114.26 3h56 s LYS 119 Ca 0.27 -1.74 -0.20 0.00 -1.00 0.00 0.00 55.97 53.31 3h56 s LYS 119 Cb -0.07 -0.53 0.04 0.00 -2.06 0.00 0.00 37.83 35.21 3h56 s LYS 119 CO 0.16 -0.18 0.45 -0.08 0.10 0.00 0.00 175.35 175.80 3h56 s THR 120 N -3.52 0.05 -0.12 3.79 -1.32 -0.68 -5.00 115.64 108.84 3h56 s THR 120 Ca 0.32 -0.38 0.01 0.00 -1.21 0.00 0.00 61.69 60.43 3h56 s THR 120 Cb 0.07 -0.93 0.02 0.00 -1.51 0.00 0.00 72.50 70.15 3h56 s THR 120 CO 0.11 -0.21 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.56 3h56 s ILE 121 N -2.29 1.31 -0.09 5.08 1.01 -1.26 -0.92 121.20 124.04 3h56 s ILE 121 Ca -0.06 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.12 3h56 s ILE 121 Cb -0.01 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 3h56 s ILE 121 CO -0.01 0.41 -0.17 -0.22 0.00 0.00 0.00 174.94 174.95 3h56 s LEU 122 N 1.36 2.53 -0.08 2.97 2.96 -0.32 -4.96 118.68 123.14 3h56 s LEU 122 Ca 0.00 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 3h56 s LEU 122 Cb -0.13 -1.53 -0.00 0.00 0.50 0.00 0.00 46.19 45.02 3h56 s LEU 122 CO -0.06 0.24 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.36 3h56 s ARG 123 N -0.08 2.81 0.08 1.98 3.52 -1.26 -0.73 118.95 125.26 3h56 s ARG 123 Ca -0.03 -0.87 0.04 0.00 -0.13 0.00 0.00 55.73 54.73 3h56 s ARG 123 Cb -0.14 -2.21 -0.03 0.00 -1.56 0.00 0.00 34.95 31.01 3h56 s ARG 123 CO 0.04 0.25 -0.11 -0.59 -0.81 0.00 0.00 175.30 174.08 3h56 s PHE 124 N 0.16 1.00 -0.10 5.12 -0.12 -0.57 -4.98 117.98 118.49 3h56 s PHE 124 Ca -0.13 -0.56 -0.27 0.00 -0.05 0.00 0.00 56.93 55.92 3h56 s PHE 124 Cb -0.16 -0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 41.64 3h56 s PHE 124 CO 0.07 -0.01 0.86 0.21 -0.05 0.00 0.00 175.22 176.30 3h56 s LYS 125 N -2.19 4.40 -1.25 1.99 2.20 -1.26 -0.64 119.74 122.99 3h56 s LYS 125 Ca -0.01 1.13 -0.15 0.00 -0.36 0.00 0.00 55.97 56.59 3h56 s LYS 125 Cb -0.07 -3.52 0.14 0.00 -1.51 0.00 0.00 37.83 32.87 3h56 s LYS 125 CO 0.01 -0.18 1.56 0.00 -0.36 0.00 0.00 175.35 176.37 3h56 n ALA 126 N 4.61 3.82 0.29 3.13 0.00 -0.12 -4.77 120.51 127.47 3h56 n ALA 126 Ca 0.04 -4.11 0.13 0.00 0.00 0.00 0.00 53.44 49.50 3h56 n ALA 126 Cb 0.50 -3.24 0.25 0.00 0.00 0.00 0.00 19.45 16.95 3h56 n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3h56 h THR 127 N 4.93 0.00 -3.24 0.00 1.35 -1.85 0.31 112.91 114.41 3h56 h THR 127 Ca 0.37 -0.87 -0.67 0.00 -0.55 0.00 0.00 66.41 64.68 3h56 h THR 127 Cb 0.86 1.87 -0.33 0.00 -1.73 0.00 0.00 68.15 68.82 3h56 h THR 127 CO 1.33 0.00 -0.86 -0.54 -0.25 0.00 0.00 175.52 175.20 3h56 s LYS 128 N -3.22 3.06 0.17 4.72 1.02 -1.26 -4.73 119.74 119.49 3h56 s LYS 128 Ca 0.07 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 3h56 s LYS 128 Cb 0.07 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.86 3h56 s LYS 128 CO 0.65 0.02 0.97 -1.25 -0.92 0.00 0.00 175.35 174.82 3h56 s PRO 129 N 0.73 4.75 0.00 -1.68 0.04 -1.26 -4.78 135.00 132.79 3h56 s PRO 129 Ca -0.09 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.45 3h56 s PRO 129 Cb -0.16 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3h56 s PRO 129 CO 0.00 0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.77 3h56 n GLY 130 N 1.92 0.13 3.86 0.56 0.00 0.23 -2.23 105.19 109.66 3h56 n GLY 130 Ca 0.01 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 3h56 n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h56 s VAL 131 N -1.93 5.18 -0.02 1.61 -7.23 0.10 -0.13 120.40 117.99 3h56 s VAL 131 Ca 0.00 0.54 -0.01 0.00 -1.81 0.00 0.00 61.98 60.69 3h56 s VAL 131 Cb 0.00 -3.61 0.01 0.00 0.56 0.00 0.00 36.38 33.33 3h56 s VAL 131 CO 0.00 0.50 0.05 -0.36 -0.31 0.00 0.00 175.10 174.97 3h56 s PHE 132 N -1.17 -0.04 0.56 2.82 0.08 -0.03 -4.48 117.98 115.72 3h56 s PHE 132 Ca 0.24 0.13 -0.20 0.00 0.12 0.00 0.00 56.93 57.23 3h56 s PHE 132 Cb -0.15 -0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.24 3h56 s PHE 132 CO 0.13 -0.03 1.19 0.08 -0.10 0.00 0.00 175.22 176.49 3h56 s VAL 133 N 0.17 2.79 0.07 -0.44 1.01 -1.26 -0.14 120.40 122.60 3h56 s VAL 133 Ca -0.01 0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.53 3h56 s VAL 133 Cb -0.02 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3h56 s VAL 133 CO -0.00 -0.08 -0.13 -0.72 0.00 0.00 0.00 175.10 174.16 3h56 s TYR 134 N -1.61 1.16 0.15 5.22 -0.85 -0.56 -1.42 117.35 119.44 3h56 s TYR 134 Ca 0.74 -0.48 -0.23 0.00 -0.52 0.00 0.00 57.07 56.58 3h56 s TYR 134 Cb -0.29 -0.65 0.07 0.00 0.38 0.00 0.00 41.96 41.47 3h56 s TYR 134 CO 0.33 0.04 0.59 -3.38 -1.52 0.00 0.00 175.55 171.61 3h56 s HIS 135 N -1.40 -0.53 0.60 -3.49 -3.43 -0.54 -1.00 115.29 105.50 3h56 s HIS 135 Ca -0.02 0.35 -0.17 0.00 -0.80 0.00 0.00 55.06 54.42 3h56 s HIS 135 Cb -0.09 0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 31.56 3h56 s HIS 135 CO 0.02 -0.83 1.12 0.00 -2.00 0.00 0.00 174.74 173.05 3h56 n ALA 137 N -1.88 -0.95 -2.65 0.00 0.00 -1.26 -4.55 120.51 109.21 3h56 n ALA 137 Ca 0.11 -1.60 -0.43 0.00 0.00 0.00 0.00 53.44 51.53 3h56 n ALA 137 Cb 0.51 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 3h56 n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3h56 s PRO 138 N 0.42 4.38 -0.03 0.00 0.02 -1.26 -4.89 135.00 133.64 3h56 s PRO 138 Ca 0.30 1.43 -0.39 0.00 0.02 0.00 0.00 61.00 62.36 3h56 s PRO 138 Cb 0.24 -3.57 -0.19 0.00 0.02 0.00 0.00 34.50 31.01 3h56 s PRO 138 CO -0.20 -0.40 1.26 -2.30 -0.33 0.00 0.00 177.00 175.03 3h56 n PRO 139 N 5.32 0.49 0.00 5.54 -0.02 -1.26 -0.89 135.00 144.18 3h56 n PRO 139 Ca 0.10 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3h56 n PRO 139 Cb 0.48 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3h56 n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h56 n GLY 140 N 2.25 2.29 0.19 -1.23 0.00 -1.26 -4.78 105.19 102.64 3h56 n GLY 140 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 3h56 n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h56 n MET 141 N -2.00 0.81 0.36 1.61 2.81 -0.07 -4.98 117.12 115.67 3h56 n MET 141 Ca 0.00 -1.35 -0.18 0.00 -1.81 0.00 0.00 57.70 54.36 3h56 n MET 141 Cb 0.00 -0.83 -0.09 0.00 -0.71 0.00 0.00 33.22 31.59 3h56 n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3h56 h VAL 142 N 3.16 0.18 -0.03 2.03 2.07 -1.79 -2.67 116.25 119.19 3h56 h VAL 142 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3h56 h VAL 142 Cb 1.06 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3h56 h VAL 142 CO 0.00 0.00 -0.32 1.55 0.02 0.00 0.00 177.57 178.82 3h56 h PRO 143 N -0.99 0.06 -0.97 1.57 0.13 -1.93 -2.21 132.00 127.66 3h56 h PRO 143 Ca -0.08 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.04 3h56 h PRO 143 Cb 0.81 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.88 3h56 h PRO 143 CO 0.07 0.38 0.64 2.35 -0.23 0.00 0.00 178.00 181.21 3h56 h TRP 144 N 0.05 1.22 -0.25 1.56 7.01 -1.91 0.33 115.95 123.96 3h56 h TRP 144 Ca 0.01 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 60.88 3h56 h TRP 144 Cb 0.60 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 3h56 h TRP 144 CO 0.00 0.76 -0.45 0.45 -2.79 0.00 0.00 178.44 176.41 3h56 h HIS 145 N 1.31 0.94 -0.26 2.65 3.86 -1.18 -2.46 115.15 120.01 3h56 h HIS 145 Ca 0.36 -0.33 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3h56 h HIS 145 Cb -0.13 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 3h56 h HIS 145 CO -0.00 1.12 0.08 0.28 0.86 0.00 0.00 177.93 180.27 3h56 h VAL 146 N 0.48 1.20 -0.03 2.45 2.07 -0.98 -2.44 116.25 119.00 3h56 h VAL 146 Ca 0.01 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3h56 h VAL 146 Cb 1.05 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3h56 h VAL 146 CO 0.10 0.20 0.00 1.33 0.02 0.00 0.00 177.57 179.23 3h56 n VAL 147 N -4.74 0.02 1.31 2.57 0.24 0.07 -1.72 118.33 116.09 3h56 n VAL 147 Ca -0.03 -0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.27 3h56 n VAL 147 Cb 0.16 0.01 0.44 0.00 -1.47 0.00 0.00 33.84 32.98 3h56 n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3h56 n SER 148 N -0.37 1.01 0.00 -1.34 7.64 -0.93 -4.63 113.62 115.00 3h56 n SER 148 Ca 0.20 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 59.14 3h56 n SER 148 Cb 0.23 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3h56 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h56 n GLY 149 N 1.30 0.87 2.74 0.23 0.00 -0.70 -1.77 105.19 107.87 3h56 n GLY 149 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3h56 n GLY 149 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h56 n LEU 150 N 0.00 7.07 -3.60 0.99 7.94 -0.73 -4.55 117.00 124.13 3h56 n LEU 150 Ca 0.00 -4.62 -0.12 0.00 -1.11 0.00 0.00 56.01 50.16 3h56 n LEU 150 Cb 0.00 -1.48 -0.05 0.00 0.53 0.00 0.00 43.42 42.42 3h56 n LEU 150 CO 0.00 1.52 0.21 0.54 -1.11 0.00 0.00 177.39 178.55 3h56 s ASN 151 N 1.10 -0.33 0.00 1.96 2.20 -1.26 -1.89 114.94 116.73 3h56 s ASN 151 Ca 0.45 -0.12 0.00 0.00 -0.94 0.00 0.00 52.86 52.24 3h56 s ASN 151 Cb 0.12 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.86 3h56 s ASN 151 CO -0.03 -0.81 0.00 0.61 -2.94 0.00 0.00 177.10 173.93 3h56 n GLY 152 N 0.01 3.56 3.39 0.45 0.00 -0.17 -0.66 105.19 111.77 3h56 n GLY 152 Ca -0.17 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 3h56 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h56 s ALA 153 N -1.04 -0.55 0.19 4.61 0.00 -1.26 -1.49 121.76 122.22 3h56 s ALA 153 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 51.59 3h56 s ALA 153 Cb 0.00 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 3h56 s ALA 153 CO 0.00 -0.69 -0.16 0.96 0.00 0.00 0.00 175.76 175.87 3h56 s ILE 154 N -3.89 1.78 -0.13 0.00 -4.36 0.81 -2.97 121.20 112.43 3h56 s ILE 154 Ca 0.10 -2.12 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 3h56 s ILE 154 Cb 0.02 -1.98 0.01 0.00 1.25 0.00 0.00 42.46 41.76 3h56 s ILE 154 CO -0.04 -0.51 -0.22 -0.32 0.24 0.00 0.00 174.94 174.09 3h56 s MET 155 N -3.37 3.00 -0.49 0.37 -2.45 0.39 -0.85 119.30 115.89 3h56 s MET 155 Ca 0.20 -0.85 -0.11 0.00 -1.25 0.00 0.00 55.69 53.69 3h56 s MET 155 Cb -0.02 -2.40 0.12 0.00 1.25 0.00 0.00 34.83 33.78 3h56 s MET 155 CO 0.07 0.01 0.39 0.08 1.05 0.00 0.00 175.02 176.61 3h56 s VAL 156 N 0.76 4.47 0.39 10.11 1.01 0.82 -1.44 120.40 136.53 3h56 s VAL 156 Ca -0.08 -1.71 -0.24 0.00 0.00 0.00 0.00 61.98 59.95 3h56 s VAL 156 Cb -0.16 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 3h56 s VAL 156 CO -0.01 -0.80 1.03 -0.76 0.00 0.00 0.00 175.10 174.57 3h56 s LEU 157 N 1.42 4.15 0.66 3.92 1.43 -0.15 -0.60 118.68 129.52 3h56 s LEU 157 Ca 0.05 1.99 -0.18 0.00 -1.03 0.00 0.00 54.13 54.97 3h56 s LEU 157 Cb -0.27 -4.19 -0.00 0.00 0.03 0.00 0.00 46.19 41.76 3h56 s LEU 157 CO 0.00 -0.44 1.29 -2.84 0.23 0.00 0.00 176.35 174.60 3h56 s PRO 158 N -2.48 2.47 0.50 1.29 0.02 -1.26 -0.46 135.00 135.08 3h56 s PRO 158 Ca 0.57 2.05 0.15 0.00 0.02 0.00 0.00 61.00 63.79 3h56 s PRO 158 Cb -0.21 -1.84 1.20 0.00 0.02 0.00 0.00 34.50 33.67 3h56 s PRO 158 CO 0.26 -1.66 2.11 0.00 -0.33 0.00 0.00 177.00 177.39 3h56 h ARG 159 N 0.43 0.11 -0.55 5.54 3.08 -1.88 0.17 114.38 121.28 3h56 h ARG 159 Ca -0.51 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3h56 h ARG 159 Cb 1.34 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3h56 h ARG 159 CO 0.53 0.07 0.00 0.39 -1.07 0.00 0.00 179.97 179.89 3h56 n GLU 160 N -4.51 2.43 -0.03 0.04 -0.58 -1.26 -0.29 120.64 116.44 3h56 n GLU 160 Ca -0.00 -1.61 0.00 0.00 -0.42 0.00 0.00 57.16 55.13 3h56 n GLU 160 Cb 0.14 -1.55 -0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3h56 n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h56 n GLY 161 N 0.87 -1.76 3.81 0.62 0.00 0.05 -4.72 105.19 104.06 3h56 n GLY 161 Ca 0.15 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 3h56 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h56 s LEU 162 N 0.00 4.05 0.08 0.99 1.43 -1.26 -4.41 118.68 119.56 3h56 s LEU 162 Ca 0.00 1.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.83 3h56 s LEU 162 Cb 0.00 -4.39 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 3h56 s LEU 162 CO 0.00 -0.28 -0.07 -1.00 0.23 0.00 0.00 176.35 175.23 3h56 s HIS 163 N -2.03 0.82 0.56 0.29 3.76 -1.26 -1.33 115.29 116.11 3h56 s HIS 163 Ca 0.59 -0.81 -0.10 0.00 -0.15 0.00 0.00 55.06 54.59 3h56 s HIS 163 Cb -0.11 -0.48 0.13 0.00 1.11 0.00 0.00 32.58 33.22 3h56 s HIS 163 CO 0.16 -0.14 0.72 -0.40 -0.85 0.00 0.00 174.74 174.23 3h56 n ASP 164 N 0.36 -0.18 0.16 1.40 3.85 0.20 -4.82 116.55 117.52 3h56 n ASP 164 Ca -0.15 -1.21 0.13 0.00 -0.71 0.00 0.00 54.79 52.85 3h56 n ASP 164 Cb 0.59 -0.56 0.56 0.00 -1.35 0.00 0.00 41.12 40.36 3h56 n ASP 164 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3h56 h GLY 165 N -1.08 0.00 -1.66 6.12 0.00 -1.90 -2.56 103.07 101.99 3h56 h GLY 165 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3h56 h GLY 165 CO 0.17 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.99 3h56 n LYS 166 N -2.36 2.91 -0.68 4.80 5.02 -1.26 -4.98 118.16 121.62 3h56 n LYS 166 Ca 0.01 -2.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.02 3h56 n LYS 166 Cb 0.19 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3h56 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h56 n GLY 167 N 0.65 0.75 3.77 0.72 0.00 -0.96 -5.05 105.19 105.06 3h56 n GLY 167 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3h56 n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h56 s LYS 168 N -0.32 4.68 0.34 1.61 -0.14 -1.26 -4.79 119.74 119.86 3h56 s LYS 168 Ca 0.00 1.33 -0.29 0.00 -1.36 0.00 0.00 55.97 55.65 3h56 s LYS 168 Cb 0.00 -3.12 -0.12 0.00 -1.68 0.00 0.00 37.83 32.92 3h56 s LYS 168 CO 0.00 0.46 1.48 0.00 -0.76 0.00 0.00 175.35 176.53 3h56 n ALA 169 N 1.21 2.16 -4.05 5.17 0.00 -1.26 -0.63 120.51 123.10 3h56 n ALA 169 Ca -0.02 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 3h56 n ALA 169 Cb 0.48 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.39 3h56 n ALA 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h56 s LEU 170 N -1.24 3.11 -0.21 0.00 1.43 -0.44 -4.76 118.68 116.58 3h56 s LEU 170 Ca 0.58 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 3h56 s LEU 170 Cb -0.51 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3h56 s LEU 170 CO 0.58 -0.17 -0.14 -0.89 0.23 0.00 0.00 176.35 175.95 3h56 s THR 171 N 1.18 2.40 0.34 5.49 2.01 -1.26 -4.04 115.64 121.76 3h56 s THR 171 Ca -0.07 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.79 3h56 s THR 171 Cb -0.19 -2.11 -0.10 0.00 0.01 0.00 0.00 72.50 70.12 3h56 s THR 171 CO -0.06 0.40 0.80 -0.72 -0.69 0.00 0.00 174.62 174.35 3h56 s TYR 172 N 1.30 3.39 0.04 4.92 -0.85 -1.26 -4.87 117.35 120.02 3h56 s TYR 172 Ca 0.03 1.36 0.02 0.00 -0.52 0.00 0.00 57.07 57.96 3h56 s TYR 172 Cb -0.15 -2.65 -0.25 0.00 0.38 0.00 0.00 41.96 39.29 3h56 s TYR 172 CO -0.09 0.06 0.99 -0.44 -1.52 0.00 0.00 175.55 174.55 3h56 h ASP 173 N 2.29 0.24 -5.22 -0.18 3.32 -0.79 -3.48 116.42 112.59 3h56 h ASP 173 Ca -0.48 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.17 3h56 h ASP 173 Cb 1.18 -0.08 -0.13 0.00 0.22 0.00 0.00 39.33 40.52 3h56 h ASP 173 CO 0.64 1.25 -0.30 -1.59 -1.72 0.00 0.00 179.24 177.52 3h56 s LYS 174 N -2.65 1.09 -0.00 3.56 -2.85 -0.91 -5.02 119.74 112.96 3h56 s LYS 174 Ca -0.05 -1.08 0.01 0.00 -1.00 0.00 0.00 55.97 53.85 3h56 s LYS 174 Cb 0.08 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 3h56 s LYS 174 CO 0.85 -0.39 -0.02 -1.50 0.10 0.00 0.00 175.35 174.38 3h56 s ILE 175 N -3.93 0.20 0.09 3.79 2.07 -1.26 -1.20 121.20 120.96 3h56 s ILE 175 Ca 0.13 -0.10 0.06 0.00 -1.41 0.00 0.00 60.65 59.34 3h56 s ILE 175 Cb 0.03 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 3h56 s ILE 175 CO -0.03 0.06 -0.16 -0.31 -1.91 0.00 0.00 174.94 172.58 3h56 s TYR 176 N 0.02 1.44 -0.25 3.50 2.02 -0.42 -4.53 117.35 119.14 3h56 s TYR 176 Ca 0.00 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3h56 s TYR 176 Cb -0.02 -0.79 0.05 0.00 -0.40 0.00 0.00 41.96 40.79 3h56 s TYR 176 CO -0.00 0.12 -0.11 -0.47 -1.57 0.00 0.00 175.55 173.52 3h56 s TYR 177 N -1.35 3.14 -0.37 2.71 5.04 0.11 -1.03 117.35 125.59 3h56 s TYR 177 Ca 0.02 -2.03 -0.12 0.00 -2.44 0.00 0.00 57.07 52.50 3h56 s TYR 177 Cb -0.09 -1.96 0.02 0.00 0.35 0.00 0.00 41.96 40.27 3h56 s TYR 177 CO 0.03 -0.84 0.24 0.08 -1.34 0.00 0.00 175.55 173.72 3h56 s VAL 178 N 1.19 4.88 -0.16 3.14 1.01 0.98 -4.23 120.40 127.21 3h56 s VAL 178 Ca -0.04 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 3h56 s VAL 178 Cb -0.18 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 3h56 s VAL 178 CO -0.06 -0.20 0.23 -0.83 0.00 0.00 0.00 175.10 174.23 3h56 s GLY 179 N 1.62 2.16 -0.14 4.51 0.00 -1.26 -2.05 107.32 112.17 3h56 s GLY 179 Ca 0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.19 3h56 s GLY 179 CO 0.08 0.22 -0.03 1.85 0.00 0.00 0.00 173.10 175.22 3h56 s GLU 180 N 0.16 3.47 -0.11 2.90 2.12 -0.63 -1.96 118.70 124.65 3h56 s GLU 180 Ca 0.14 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 54.99 3h56 s GLU 180 Cb -0.12 -2.88 0.02 0.00 0.26 0.00 0.00 34.13 31.40 3h56 s GLU 180 CO 0.02 0.37 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.83 3h56 s GLN 181 N 0.01 2.18 -0.20 4.30 2.00 0.09 -4.54 119.66 123.51 3h56 s GLN 181 Ca 0.01 -0.55 -0.22 0.00 -2.00 0.00 0.00 55.36 52.61 3h56 s GLN 181 Cb -0.13 -1.88 -0.02 0.00 0.80 0.00 0.00 33.01 31.78 3h56 s GLN 181 CO 0.02 -0.08 0.69 0.16 -0.50 0.00 0.00 175.29 175.59 3h56 s ASP 182 N 1.03 6.75 0.09 6.67 3.84 -1.26 -1.05 116.67 132.74 3h56 s ASP 182 Ca -0.06 0.91 0.06 0.00 -0.00 0.00 0.00 52.55 53.47 3h56 s ASP 182 Cb -0.15 -2.38 -0.04 0.00 -1.38 0.00 0.00 42.92 38.98 3h56 s ASP 182 CO -0.02 -0.33 -0.09 -0.36 -0.00 0.00 0.00 175.17 174.38 3h56 s PHE 183 N 2.08 2.78 -0.47 2.11 0.08 -0.04 -4.78 117.98 119.74 3h56 s PHE 183 Ca 0.31 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.26 3h56 s PHE 183 Cb -0.16 -1.47 0.13 0.00 -0.57 0.00 0.00 43.02 40.95 3h56 s PHE 183 CO 0.10 0.42 0.25 0.71 -0.10 0.00 0.00 175.22 176.60 3h56 s TYR 184 N -1.18 2.39 -0.27 0.36 1.51 -1.26 -0.81 117.35 118.09 3h56 s TYR 184 Ca 0.21 -2.69 -0.10 0.00 -1.01 0.00 0.00 57.07 53.48 3h56 s TYR 184 Cb -0.11 -2.20 -0.05 0.00 -0.11 0.00 0.00 41.96 39.50 3h56 s TYR 184 CO 0.13 -0.76 0.16 0.08 -1.11 0.00 0.00 175.55 174.05 3h56 s VAL 185 N 0.10 5.11 0.74 0.71 1.01 -1.26 -4.80 120.40 122.02 3h56 s VAL 185 Ca 0.18 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 3h56 s VAL 185 Cb -0.24 -3.42 0.05 0.00 0.00 0.00 0.00 36.38 32.76 3h56 s VAL 185 CO -0.00 0.28 1.24 -2.84 0.00 0.00 0.00 175.10 173.78 3h56 s PRO 186 N 1.64 1.98 0.07 2.72 0.02 -1.26 -4.90 135.00 135.27 3h56 s PRO 186 Ca 0.07 1.89 0.06 0.00 0.02 0.00 0.00 61.00 63.04 3h56 s PRO 186 Cb -0.16 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 3h56 s PRO 186 CO 0.09 -1.99 -0.16 1.03 -0.33 0.00 0.00 177.00 175.64 3h56 s ARG 187 N -3.83 0.93 0.98 5.54 0.52 -1.26 -1.75 118.95 120.09 3h56 s ARG 187 Ca 0.77 -0.95 -0.16 0.00 -0.52 0.00 0.00 55.73 54.87 3h56 s ARG 187 Cb -0.33 -1.00 0.19 0.00 0.52 0.00 0.00 34.95 34.34 3h56 s ARG 187 CO 0.46 0.23 1.25 0.16 0.02 0.00 0.00 175.30 177.43 3h56 s ASP 188 N -1.61 2.97 0.62 0.23 1.47 -0.35 -4.87 116.67 115.12 3h56 s ASP 188 Ca 0.01 0.45 0.36 0.00 1.18 0.00 0.00 52.55 54.55 3h56 s ASP 188 Cb -0.09 -0.63 2.06 0.00 -0.34 0.00 0.00 42.92 43.91 3h56 s ASP 188 CO 0.02 -2.84 2.29 1.05 0.68 0.00 0.00 175.17 176.38 3h56 h GLU 189 N -1.71 0.00 -0.00 2.11 4.11 -2.02 0.12 114.58 117.19 3h56 h GLU 189 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3h56 h GLU 189 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3h56 h GLU 189 CO 0.43 0.00 -0.11 0.09 0.07 0.00 0.00 179.01 179.49 3h56 n ASN 190 N -3.54 0.50 0.00 3.06 3.02 -1.26 -4.93 115.26 112.11 3h56 n ASN 190 Ca -0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 3h56 n ASN 190 Cb 0.09 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3h56 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h56 n GLY 191 N 1.27 0.72 3.77 7.41 0.00 0.42 -5.06 105.19 113.72 3h56 n GLY 191 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3h56 n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h56 s LYS 192 N -0.44 4.23 0.33 1.61 3.01 -1.26 -4.81 119.74 122.41 3h56 s LYS 192 Ca 0.00 0.54 -0.29 0.00 -1.01 0.00 0.00 55.97 55.21 3h56 s LYS 192 Cb 0.00 -3.35 -0.12 0.00 -1.01 0.00 0.00 37.83 33.36 3h56 s LYS 192 CO 0.00 0.37 1.50 0.66 0.51 0.00 0.00 175.35 178.39 3h56 n TYR 193 N 2.86 2.78 -3.33 3.18 4.02 -1.26 -1.21 117.16 124.19 3h56 n TYR 193 Ca -0.09 0.38 -0.35 0.00 -0.01 0.00 0.00 57.90 57.82 3h56 n TYR 193 Cb 0.52 -2.54 -0.06 0.00 -0.02 0.00 0.00 39.34 37.24 3h56 n TYR 193 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3h56 s LYS 194 N -1.26 4.01 -0.02 -0.72 1.02 -0.71 -4.85 119.74 117.21 3h56 s LYS 194 Ca 0.59 0.54 0.01 0.00 0.02 0.00 0.00 55.97 57.14 3h56 s LYS 194 Cb -0.51 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 3h56 s LYS 194 CO 0.56 0.47 -0.03 0.15 -0.92 0.00 0.00 175.35 175.58 3h56 s LYS 195 N -1.94 2.73 0.03 1.68 1.02 -1.26 -4.84 119.74 117.16 3h56 s LYS 195 Ca 0.38 -0.61 0.08 0.00 0.02 0.00 0.00 55.97 55.84 3h56 s LYS 195 Cb -0.15 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 3h56 s LYS 195 CO 0.19 0.63 -0.22 0.71 -0.92 0.00 0.00 175.35 175.74 3h56 s TYR 196 N -0.99 1.97 0.07 3.18 2.02 -1.26 -5.06 117.35 117.28 3h56 s TYR 196 Ca 0.17 -0.38 -0.19 0.00 -0.37 0.00 0.00 57.07 56.30 3h56 s TYR 196 Cb -0.11 -1.20 -0.11 0.00 -0.40 0.00 0.00 41.96 40.13 3h56 s TYR 196 CO 0.07 0.06 1.42 1.49 -1.57 0.00 0.00 175.55 177.02 3h56 h GLU 197 N 5.08 0.44 -6.84 -0.62 4.81 -2.00 -3.45 114.58 112.00 3h56 h GLU 197 Ca -0.43 -0.20 -0.68 0.00 -0.13 0.00 0.00 59.36 57.93 3h56 h GLU 197 Cb 1.15 -0.01 -0.21 0.00 0.63 0.00 0.00 28.75 30.31 3h56 h GLU 197 CO 0.45 0.73 -0.85 0.00 -0.73 0.00 0.00 179.01 178.61 3h56 s ALA 198 N -4.57 2.46 0.45 2.92 0.00 -1.26 -5.05 121.76 116.72 3h56 s ALA 198 Ca -0.14 -1.47 0.11 0.00 0.00 0.00 0.00 51.96 50.47 3h56 s ALA 198 Cb 0.07 -0.43 1.02 0.00 0.00 0.00 0.00 23.12 23.78 3h56 s ALA 198 CO 0.76 0.54 2.07 -1.35 0.00 0.00 0.00 175.76 177.77 3h56 h PRO 199 N 3.76 0.35 0.00 0.00 0.11 -1.96 -2.17 132.00 132.09 3h56 h PRO 199 Ca -0.50 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 3h56 h PRO 199 Cb 1.17 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3h56 h PRO 199 CO 0.41 0.23 -0.32 0.78 -0.21 0.00 0.00 178.00 178.90 3h56 h GLY 200 N 0.36 0.00 2.00 -0.55 0.00 -1.99 -2.20 103.07 100.70 3h56 h GLY 200 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 3h56 h GLY 200 CO -0.03 0.00 -0.13 -0.55 0.00 0.00 0.00 176.54 175.83 3h56 h ASP 201 N 0.00 0.00 0.94 0.19 3.45 -1.81 -3.04 116.42 116.15 3h56 h ASP 201 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3h56 h ASP 201 Cb 0.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3h56 h ASP 201 CO 0.04 0.13 -0.80 0.00 -1.57 0.00 0.00 179.24 177.03 3h56 h ALA 202 N 1.87 0.54 0.59 3.45 0.00 -1.48 -3.42 119.26 120.82 3h56 h ALA 202 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3h56 h ALA 202 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3h56 h ALA 202 CO 0.02 0.00 -0.50 -0.92 0.00 0.00 0.00 179.25 177.84 3h56 h TYR 203 N 0.00 -1.37 -0.28 0.00 5.03 -1.51 0.61 116.97 119.44 3h56 h TYR 203 Ca 0.00 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.36 3h56 h TYR 203 Cb 0.87 0.52 -0.05 0.00 1.55 0.00 0.00 36.73 39.63 3h56 h TYR 203 CO 0.00 -0.69 -0.02 1.49 -1.32 0.00 0.00 178.16 177.62 3h56 h GLU 204 N -1.07 0.06 -0.71 1.82 4.81 -1.81 -0.80 114.58 116.88 3h56 h GLU 204 Ca -0.08 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3h56 h GLU 204 Cb 0.91 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 3h56 h GLU 204 CO -0.01 0.04 0.35 -0.44 -0.73 0.00 0.00 179.01 178.22 3h56 h ASP 205 N 0.06 0.91 -0.37 1.04 3.45 -1.82 -2.94 116.42 116.76 3h56 h ASP 205 Ca 0.14 -0.10 -0.07 0.00 0.43 0.00 0.00 57.03 57.43 3h56 h ASP 205 Cb 0.19 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3h56 h ASP 205 CO -0.24 0.77 -0.03 0.74 -1.57 0.00 0.00 179.24 178.90 3h56 h THR 206 N 1.01 1.27 -0.91 0.35 2.02 0.01 -2.84 112.91 113.81 3h56 h THR 206 Ca 0.25 -1.06 0.06 0.00 0.77 0.00 0.00 66.41 66.43 3h56 h THR 206 Cb 0.09 1.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 3h56 h THR 206 CO -0.03 0.35 0.58 0.58 0.37 0.00 0.00 175.52 177.36 3h56 h VAL 207 N 0.49 1.07 -0.80 3.16 2.07 -1.08 0.75 116.25 121.92 3h56 h VAL 207 Ca 0.10 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3h56 h VAL 207 Cb 0.51 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3h56 h VAL 207 CO 0.03 0.19 0.36 0.50 0.02 0.00 0.00 177.57 178.66 3h56 h LYS 208 N 1.06 1.16 -0.27 1.57 3.64 -1.39 -0.46 116.57 121.88 3h56 h LYS 208 Ca 0.39 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 3h56 h LYS 208 Cb 0.15 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3h56 h LYS 208 CO -0.17 0.91 -0.26 0.28 -2.27 0.00 0.00 179.45 177.95 3h56 h VAL 209 N 1.15 1.31 -0.96 2.00 2.07 -1.17 -3.13 116.25 117.51 3h56 h VAL 209 Ca 0.27 -1.42 0.10 0.00 0.82 0.00 0.00 66.70 66.47 3h56 h VAL 209 Cb 0.16 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 3h56 h VAL 209 CO -0.03 0.45 0.60 0.24 0.02 0.00 0.00 177.57 178.85 3h56 h MET 210 N 0.39 0.98 0.00 1.57 2.86 -0.50 -1.98 114.93 118.24 3h56 h MET 210 Ca 0.05 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3h56 h MET 210 Cb 0.82 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3h56 h MET 210 CO 0.06 0.65 0.00 0.00 1.06 0.00 0.00 176.91 178.68 3h56 h ARG 211 N 1.01 0.00 0.00 1.72 3.08 -1.03 0.16 114.38 119.31 3h56 h ARG 211 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3h56 h ARG 211 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3h56 h ARG 211 CO -0.23 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.92 3h56 n THR 212 N -2.36 0.74 -1.53 2.04 -2.24 -0.74 -4.89 114.28 105.30 3h56 n THR 212 Ca 0.01 0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.71 3h56 n THR 212 Cb 0.17 -0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 67.38 3h56 n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h56 n LEU 213 N -2.09 -1.27 -4.01 3.22 4.77 0.04 -4.93 117.00 112.73 3h56 n LEU 213 Ca 0.03 0.42 -0.31 0.00 -0.03 0.00 0.00 56.01 56.12 3h56 n LEU 213 Cb 0.28 -2.47 -0.15 0.00 -2.33 0.00 0.00 43.42 38.75 3h56 n LEU 213 CO 0.22 -0.89 -0.31 -0.89 -1.33 0.00 0.00 177.39 174.19 3h56 s THR 214 N -2.48 2.31 0.56 -5.08 2.01 -1.26 -5.11 115.64 106.59 3h56 s THR 214 Ca 0.00 -2.45 -0.20 0.00 0.31 0.00 0.00 61.69 59.35 3h56 s THR 214 Cb 0.00 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 3h56 s THR 214 CO 0.00 -0.62 1.23 -2.16 -0.69 0.00 0.00 174.62 172.38 3h56 s PRO 215 N 0.78 3.16 0.25 4.92 0.04 -1.26 -4.91 135.00 137.97 3h56 s PRO 215 Ca 0.12 1.89 0.16 0.00 0.04 0.00 0.00 61.00 63.21 3h56 s PRO 215 Cb -0.20 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.31 3h56 s PRO 215 CO -0.07 -1.07 1.34 1.79 0.04 0.00 0.00 177.00 179.03 3h56 h THR 216 N 1.18 0.71 -3.17 1.26 1.35 -1.32 -3.47 112.91 109.44 3h56 h THR 216 Ca -0.50 -2.04 -0.16 0.00 -0.55 0.00 0.00 66.41 63.15 3h56 h THR 216 Cb 1.29 2.29 -0.25 0.00 -1.73 0.00 0.00 68.15 69.76 3h56 h THR 216 CO 0.56 0.40 -0.42 -1.00 -0.25 0.00 0.00 175.52 174.81 3h56 s HIS 217 N -2.99 -0.23 -0.18 4.73 3.76 -1.14 -4.86 115.29 114.38 3h56 s HIS 217 Ca 0.03 0.54 -0.03 0.00 -0.15 0.00 0.00 55.06 55.44 3h56 s HIS 217 Cb 0.08 0.08 0.06 0.00 1.11 0.00 0.00 32.58 33.90 3h56 s HIS 217 CO 0.75 -0.17 0.04 0.08 -0.85 0.00 0.00 174.74 174.59 3h56 s VAL 218 N -0.17 0.44 0.13 -0.90 1.01 -0.21 -0.86 120.40 119.83 3h56 s VAL 218 Ca -0.03 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.53 3h56 s VAL 218 Cb -0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3h56 s VAL 218 CO 0.01 -0.20 -0.13 0.68 0.00 0.00 0.00 175.10 175.46 3h56 s VAL 219 N 1.90 1.27 -0.06 2.92 -7.23 -0.21 -0.50 120.40 118.50 3h56 s VAL 219 Ca -0.00 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 3h56 s VAL 219 Cb -0.17 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 3h56 s VAL 219 CO -0.08 -0.50 0.11 -0.36 -0.31 0.00 0.00 175.10 173.96 3h56 s PHE 220 N -2.43 3.43 -1.24 2.82 0.08 -1.26 -0.73 117.98 118.64 3h56 s PHE 220 Ca 0.11 0.34 -0.10 0.00 0.12 0.00 0.00 56.93 57.40 3h56 s PHE 220 Cb -0.03 -1.83 0.09 0.00 -0.57 0.00 0.00 43.02 40.67 3h56 s PHE 220 CO 0.02 0.62 0.46 -1.71 -0.10 0.00 0.00 175.22 174.51 3h56 n ASN 221 N 1.54 -3.22 0.00 1.36 4.05 -0.83 -3.22 115.26 114.95 3h56 n ASN 221 Ca -0.16 -0.42 0.00 0.00 0.45 0.00 0.00 54.58 54.46 3h56 n ASN 221 Cb 0.54 -2.69 0.00 0.00 1.23 0.00 0.00 39.78 38.85 3h56 n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3h56 n GLY 222 N -1.10 1.08 3.53 8.20 0.00 -0.72 -4.79 105.19 111.39 3h56 n GLY 222 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3h56 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h56 s ALA 223 N -2.85 -1.81 0.13 4.61 0.00 -1.20 -4.59 121.76 116.06 3h56 s ALA 223 Ca 0.00 1.33 -0.35 0.00 0.00 0.00 0.00 51.96 52.94 3h56 s ALA 223 Cb 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 23.12 22.86 3h56 s ALA 223 CO 0.00 -0.39 1.54 0.28 0.00 0.00 0.00 175.76 177.19 3h56 n VAL 224 N 0.73 0.03 -0.99 0.00 0.31 0.11 -2.03 118.33 116.48 3h56 n VAL 224 Ca -0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3h56 n VAL 224 Cb 0.58 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3h56 n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h56 n GLY 225 N 3.26 0.35 0.28 2.92 0.00 -1.26 -4.82 105.19 105.93 3h56 n GLY 225 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3h56 n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h56 h ALA 226 N 0.00 1.68 -0.80 4.61 0.00 -1.62 -2.03 119.26 121.11 3h56 h ALA 226 Ca 0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.33 3h56 h ALA 226 Cb 0.31 -0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.73 3h56 h ALA 226 CO 0.00 0.02 -0.28 1.28 0.00 0.00 0.00 179.25 180.27 3h56 n LEU 227 N -4.09 5.68 -4.45 0.00 4.77 -1.26 -4.77 117.00 112.88 3h56 n LEU 227 Ca -0.03 -4.56 -0.22 0.00 -0.03 0.00 0.00 56.01 51.17 3h56 n LEU 227 Cb 0.10 -0.55 -0.10 0.00 -2.33 0.00 0.00 43.42 40.55 3h56 n LEU 227 CO 0.30 1.87 -0.25 0.42 -1.33 0.00 0.00 177.39 178.41 3h56 s THR 228 N -4.58 0.95 0.00 -5.08 -4.23 -0.76 -0.87 115.64 101.06 3h56 s THR 228 Ca 0.55 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 3h56 s THR 228 Cb 0.44 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.63 3h56 s THR 228 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3h56 n GLY 229 N -0.72 3.28 0.34 3.99 0.00 -1.26 -1.43 105.19 109.39 3h56 n GLY 229 Ca -0.03 -0.20 0.21 0.00 0.00 0.00 0.00 46.02 46.00 3h56 n GLY 229 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h56 h ASP 230 N 2.15 0.00 -0.51 1.61 3.45 -1.97 -1.93 116.42 119.21 3h56 h ASP 230 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3h56 h ASP 230 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3h56 h ASP 230 CO 0.00 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.96 3h56 n LYS 231 N -3.06 3.58 -1.89 3.56 5.02 -0.51 -4.97 118.16 119.89 3h56 n LYS 231 Ca -0.03 -2.79 -0.38 0.00 -2.02 0.00 0.00 58.31 53.09 3h56 n LYS 231 Cb 0.15 -1.84 0.03 0.00 -0.02 0.00 0.00 35.03 33.35 3h56 n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h56 s ALA 232 N -2.05 2.86 0.79 7.82 0.00 -0.73 -3.96 121.76 126.49 3h56 s ALA 232 Ca 0.46 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.56 3h56 s ALA 232 Cb 0.31 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.97 3h56 s ALA 232 CO 0.19 -1.21 1.09 -1.64 0.00 0.00 0.00 175.76 174.18 3h56 s MET 233 N -2.85 2.16 0.05 0.00 -1.94 -0.43 -4.84 119.30 111.44 3h56 s MET 233 Ca 0.70 1.04 0.01 0.00 -1.71 0.00 0.00 55.69 55.73 3h56 s MET 233 Cb -0.38 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 34.54 3h56 s MET 233 CO 0.45 -1.68 -0.05 0.95 -0.01 0.00 0.00 175.02 174.68 3h56 s THR 234 N -2.94 0.40 0.36 2.05 -4.23 -1.26 -0.71 115.64 109.30 3h56 s THR 234 Ca 0.61 -1.39 -0.17 0.00 -1.18 0.00 0.00 61.69 59.56 3h56 s THR 234 Cb -0.17 -0.96 0.05 0.00 1.34 0.00 0.00 72.50 72.76 3h56 s THR 234 CO 0.56 -0.66 0.78 0.00 -0.54 0.00 0.00 174.62 174.76 3h56 s ALA 235 N -2.45 -0.86 0.15 3.99 0.00 -0.91 -4.93 121.76 116.74 3h56 s ALA 235 Ca -0.03 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.35 3h56 s ALA 235 Cb -0.03 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 3h56 s ALA 235 CO -0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 175.76 174.58 3h56 s ALA 236 N -2.67 1.70 0.28 0.00 0.00 -1.26 -1.50 121.76 118.30 3h56 s ALA 236 Ca 0.14 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 3h56 s ALA 236 Cb -0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 23.12 22.87 3h56 s ALA 236 CO 0.10 0.09 1.49 0.28 0.00 0.00 0.00 175.76 177.72 3h56 n VAL 237 N 0.17 1.15 0.00 0.00 0.31 0.16 -1.50 118.33 118.62 3h56 n VAL 237 Ca -0.12 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3h56 n VAL 237 Cb 0.58 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 3h56 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h56 n GLY 238 N 1.92 1.82 3.77 2.92 0.00 0.52 -4.99 105.19 111.16 3h56 n GLY 238 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3h56 n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h56 s GLU 239 N -0.53 4.60 -0.25 1.61 2.12 -0.56 -4.81 118.70 120.87 3h56 s GLU 239 Ca 0.00 1.21 -0.10 0.00 0.36 0.00 0.00 54.97 56.44 3h56 s GLU 239 Cb 0.00 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 3h56 s GLU 239 CO 0.00 0.54 0.15 0.15 -0.54 0.00 0.00 175.26 175.56 3h56 s LYS 240 N -1.26 3.99 -0.06 4.30 1.02 -1.26 -1.79 119.74 124.68 3h56 s LYS 240 Ca 0.38 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.09 3h56 s LYS 240 Cb -0.23 -3.53 0.01 0.00 -0.52 0.00 0.00 37.83 33.56 3h56 s LYS 240 CO 0.27 -0.01 -0.16 0.08 -0.92 0.00 0.00 175.35 174.61 3h56 s VAL 241 N 1.25 1.37 -0.20 3.17 1.01 -0.10 0.02 120.40 126.92 3h56 s VAL 241 Ca 0.07 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 3h56 s VAL 241 Cb -0.14 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3h56 s VAL 241 CO 0.06 0.40 0.19 -0.22 0.00 0.00 0.00 175.10 175.53 3h56 s LEU 242 N 0.39 4.19 -0.29 3.92 2.96 -0.34 -1.23 118.68 128.28 3h56 s LEU 242 Ca -0.11 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 3h56 s LEU 242 Cb -0.15 -2.18 0.06 0.00 0.50 0.00 0.00 46.19 44.42 3h56 s LEU 242 CO 0.04 0.12 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.52 3h56 s ILE 243 N 0.60 2.63 -0.02 6.68 1.01 0.51 -1.30 121.20 131.31 3h56 s ILE 243 Ca 0.10 -1.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.04 3h56 s ILE 243 Cb -0.12 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 3h56 s ILE 243 CO 0.01 -0.09 0.55 -0.69 0.00 0.00 0.00 174.94 174.72 3h56 s VAL 244 N 1.18 4.97 -0.02 2.92 1.01 -0.20 -1.30 120.40 128.96 3h56 s VAL 244 Ca -0.06 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.08 3h56 s VAL 244 Cb -0.20 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3h56 s VAL 244 CO -0.03 0.43 -0.08 -2.28 0.00 0.00 0.00 175.10 173.14 3h56 s HIS 245 N -0.19 0.83 0.09 5.22 2.46 -0.33 -0.02 115.29 123.35 3h56 s HIS 245 Ca 0.29 -0.20 0.04 0.00 0.47 0.00 0.00 55.06 55.66 3h56 s HIS 245 Cb -0.17 -0.60 -0.03 0.00 -0.13 0.00 0.00 32.58 31.64 3h56 s HIS 245 CO 0.15 -0.09 -0.10 -1.54 -2.47 0.00 0.00 174.74 170.69 3h56 s SER 246 N 0.22 1.42 -0.20 9.88 1.04 -0.87 -0.81 113.70 124.37 3h56 s SER 246 Ca -0.03 -0.75 -0.04 0.00 0.48 0.00 0.00 55.95 55.61 3h56 s SER 246 Cb -0.08 0.00 0.10 0.00 0.10 0.00 0.00 66.02 66.14 3h56 s SER 246 CO 0.00 -0.23 0.30 -1.58 0.98 0.00 0.00 173.24 172.71 3h56 s GLN 247 N -2.49 0.25 0.18 4.02 -0.44 -0.72 -1.61 119.66 118.85 3h56 s GLN 247 Ca 0.02 0.47 0.26 0.00 -2.50 0.00 0.00 55.36 53.62 3h56 s GLN 247 Cb -0.05 -0.64 0.86 0.00 -1.64 0.00 0.00 33.01 31.54 3h56 s GLN 247 CO 0.00 -0.56 1.79 0.00 0.50 0.00 0.00 175.29 177.03 3h56 n ALA 248 N 5.35 2.30 0.00 1.58 0.00 -1.26 -0.17 120.51 128.31 3h56 n ALA 248 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3h56 n ALA 248 Cb 0.50 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3h56 n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h56 n ASN 249 N -2.16 1.57 -3.79 0.00 5.15 -1.26 -3.05 115.26 111.72 3h56 n ASN 249 Ca 0.06 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.91 3h56 n ASN 249 Cb 0.42 0.29 -0.10 0.00 -0.53 0.00 0.00 39.78 39.86 3h56 n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3h56 s ARG 250 N -0.75 0.53 0.63 1.20 3.52 -1.26 -4.67 118.95 118.15 3h56 s ARG 250 Ca 0.00 -0.06 -0.18 0.00 -0.13 0.00 0.00 55.73 55.36 3h56 s ARG 250 Cb 0.00 0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 3h56 s ARG 250 CO 0.00 -0.13 1.05 -0.25 -0.81 0.00 0.00 175.30 175.17 3h56 n ASP 251 N 1.79 1.09 -4.04 -2.12 10.43 -1.26 -3.39 116.55 119.06 3h56 n ASP 251 Ca -0.19 0.79 -0.09 0.00 2.57 0.00 0.00 54.79 57.87 3h56 n ASP 251 Cb 0.56 -1.44 -0.08 0.00 1.84 0.00 0.00 41.12 42.00 3h56 n ASP 251 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 3h56 s THR 252 N -1.51 0.09 -0.40 -3.53 -1.32 -0.37 -4.83 115.64 103.77 3h56 s THR 252 Ca 0.78 -1.61 0.03 0.00 -1.21 0.00 0.00 61.69 59.69 3h56 s THR 252 Cb -0.40 -1.89 0.16 0.00 -1.51 0.00 0.00 72.50 68.87 3h56 s THR 252 CO 0.45 -0.41 0.32 0.00 -2.21 0.00 0.00 174.62 172.77 3h56 s ARG 253 N -3.99 0.82 0.55 7.08 1.70 -1.26 -1.09 118.95 122.76 3h56 s ARG 253 Ca 0.19 -1.90 -0.20 0.00 -0.47 0.00 0.00 55.73 53.35 3h56 s ARG 253 Cb 0.05 -1.34 -0.05 0.00 -0.57 0.00 0.00 34.95 33.04 3h56 s ARG 253 CO -0.00 -1.35 1.25 -2.14 -1.08 0.00 0.00 175.30 171.98 3h56 s PRO 254 N 0.32 3.17 -0.17 3.89 0.02 -1.05 -0.52 135.00 140.66 3h56 s PRO 254 Ca 0.29 1.94 -0.09 0.00 0.02 0.00 0.00 61.00 63.16 3h56 s PRO 254 Cb -0.02 -2.12 0.06 0.00 0.02 0.00 0.00 34.50 32.44 3h56 s PRO 254 CO -0.15 -1.08 0.41 -1.58 -0.33 0.00 0.00 177.00 174.27 3h56 s HIS 255 N -1.49 -0.60 -0.45 6.54 2.46 -0.30 -1.55 115.29 119.90 3h56 s HIS 255 Ca 0.73 1.28 -0.18 0.00 0.47 0.00 0.00 55.06 57.36 3h56 s HIS 255 Cb -0.33 0.26 0.04 0.00 -0.13 0.00 0.00 32.58 32.42 3h56 s HIS 255 CO 0.38 -0.34 0.52 -1.17 -2.47 0.00 0.00 174.74 171.66 3h56 s LEU 256 N 1.35 4.90 -0.21 8.88 2.96 -1.26 -1.23 118.68 134.08 3h56 s LEU 256 Ca -0.09 -0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 52.78 3h56 s LEU 256 Cb -0.08 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 3h56 s LEU 256 CO -0.12 -0.71 1.39 -0.63 -1.32 0.00 0.00 176.35 174.96 3h56 s ILE 257 N 2.34 4.05 0.00 6.68 1.01 0.21 -1.55 121.20 133.95 3h56 s ILE 257 Ca 0.14 1.22 0.00 0.00 0.00 0.00 0.00 60.65 62.01 3h56 s ILE 257 Cb -0.18 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3h56 s ILE 257 CO 0.13 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.41 3h56 n GLY 258 N 4.11 0.26 0.00 6.18 0.00 -1.26 -3.53 105.19 110.95 3h56 n GLY 258 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h56 n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h56 n GLY 259 N -2.00 5.75 3.60 -0.02 0.00 -0.59 -5.00 105.19 106.93 3h56 n GLY 259 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 3h56 n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h56 s HIS 260 N 1.14 0.45 -0.51 1.61 0.09 -1.26 -4.72 115.29 112.08 3h56 s HIS 260 Ca 0.00 -0.82 -0.15 0.00 -0.00 0.00 0.00 55.06 54.09 3h56 s HIS 260 Cb 0.00 0.21 0.11 0.00 -0.00 0.00 0.00 32.58 32.91 3h56 s HIS 260 CO 0.00 -1.08 0.45 0.20 -0.00 0.00 0.00 174.74 174.31 3h56 s GLY 261 N -3.06 2.07 0.13 -2.22 0.00 -0.01 -4.76 107.32 99.47 3h56 s GLY 261 Ca 0.23 -2.42 -0.19 0.00 0.00 0.00 0.00 44.72 42.34 3h56 s GLY 261 CO 0.11 1.15 1.78 -0.55 0.00 0.00 0.00 173.10 175.58 3h56 h ASP 262 N 8.79 0.24 -3.40 1.64 3.32 -1.46 0.74 116.42 126.30 3h56 h ASP 262 Ca -0.28 -0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.23 3h56 h ASP 262 Cb 1.10 -0.05 -0.34 0.00 0.22 0.00 0.00 39.33 40.26 3h56 h ASP 262 CO 0.97 0.18 -0.82 -0.31 -1.72 0.00 0.00 179.24 177.54 3h56 s TYR 263 N -6.17 1.58 -0.12 4.55 1.51 -0.97 -1.68 117.35 116.04 3h56 s TYR 263 Ca -0.13 -0.61 -0.01 0.00 -1.01 0.00 0.00 57.07 55.32 3h56 s TYR 263 Cb 0.09 -1.15 0.03 0.00 -0.11 0.00 0.00 41.96 40.82 3h56 s TYR 263 CO 0.70 -0.31 -0.06 0.08 -1.11 0.00 0.00 175.55 174.85 3h56 s VAL 264 N 0.69 0.94 -1.12 0.71 1.01 0.10 -0.14 120.40 122.60 3h56 s VAL 264 Ca -0.14 -0.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 3h56 s VAL 264 Cb -0.16 -1.03 0.11 0.00 0.00 0.00 0.00 36.38 35.30 3h56 s VAL 264 CO 0.03 0.28 1.44 0.26 0.00 0.00 0.00 175.10 177.11 3h56 s TRP 265 N 1.73 3.00 0.34 5.22 0.51 -0.02 -0.50 118.94 129.23 3h56 s TRP 265 Ca 0.04 -1.52 0.13 0.00 -2.12 0.00 0.00 56.10 52.63 3h56 s TRP 265 Cb -0.13 -4.51 0.68 0.00 -0.81 0.00 0.00 33.47 28.70 3h56 s TRP 265 CO -0.08 -1.65 1.79 0.00 -0.51 0.00 0.00 176.95 176.50 3h56 h ALA 266 N 8.31 1.28 0.00 0.98 0.00 -1.90 -0.11 119.26 127.81 3h56 h ALA 266 Ca 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h56 h ALA 266 Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3h56 h ALA 266 CO 1.31 0.51 0.00 0.25 0.00 0.00 0.00 179.25 181.32 3h56 n THR 267 N -3.98 0.03 -0.95 0.00 -2.24 -1.26 -4.60 114.28 101.27 3h56 n THR 267 Ca -0.02 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3h56 n THR 267 Cb 0.45 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3h56 n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h56 n GLY 268 N 1.41 0.94 3.39 3.38 0.00 -0.09 -4.77 105.19 109.47 3h56 n GLY 268 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3h56 n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h56 s LYS 269 N -0.08 3.54 0.53 1.61 -0.14 -1.26 0.03 119.74 123.97 3h56 s LYS 269 Ca 0.00 -0.55 0.32 0.00 -1.36 0.00 0.00 55.97 54.38 3h56 s LYS 269 Cb 0.00 -3.11 1.25 0.00 -1.68 0.00 0.00 37.83 34.29 3h56 s LYS 269 CO 0.00 -0.11 1.94 0.74 -0.76 0.00 0.00 175.35 177.16 3h56 h PHE 270 N 7.90 0.00 0.00 3.18 0.05 -1.81 -2.26 116.94 124.00 3h56 h PHE 270 Ca -0.38 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.41 3h56 h PHE 270 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.12 3h56 h PHE 270 CO 0.61 0.02 -0.08 0.09 -0.18 0.00 0.00 178.31 178.76 3h56 n ASN 271 N -3.12 0.09 -4.55 2.17 3.02 -1.26 -4.58 115.26 107.03 3h56 n ASN 271 Ca 0.01 0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 54.51 3h56 n ASN 271 Cb 0.33 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 39.06 3h56 n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3h56 s THR 272 N -3.00 4.90 0.45 3.41 2.01 -0.85 -5.05 115.64 117.51 3h56 s THR 272 Ca 0.13 0.38 -0.23 0.00 0.31 0.00 0.00 61.69 62.28 3h56 s THR 272 Cb 0.19 -4.09 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 3h56 s THR 272 CO 0.56 -0.38 1.00 -2.65 -0.69 0.00 0.00 174.62 172.46 3h56 n PRO 273 N 6.04 1.30 -2.39 4.92 -0.02 -1.26 -4.81 135.00 138.78 3h56 n PRO 273 Ca -0.02 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 3h56 n PRO 273 Cb 0.48 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3h56 n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h56 s PRO 274 N -2.13 4.01 0.74 0.52 0.04 -1.26 -4.92 135.00 132.01 3h56 s PRO 274 Ca 0.65 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 3h56 s PRO 274 Cb -0.53 -2.54 0.04 0.00 0.04 0.00 0.00 34.50 31.52 3h56 s PRO 274 CO 0.55 -0.31 1.11 -0.51 0.04 0.00 0.00 177.00 177.88 3h56 s ASP 275 N -1.39 4.55 0.13 6.66 1.01 0.35 -4.77 116.67 123.20 3h56 s ASP 275 Ca 0.59 1.95 0.06 0.00 0.71 0.00 0.00 52.55 55.86 3h56 s ASP 275 Cb -0.26 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 3h56 s ASP 275 CO 0.32 -2.01 -0.14 0.68 0.21 0.00 0.00 175.17 174.23 3h56 s VAL 276 N -2.63 1.38 -1.35 -1.27 -7.23 -1.26 0.03 120.40 108.07 3h56 s VAL 276 Ca 0.64 -1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 3h56 s VAL 276 Cb -0.20 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.14 3h56 s VAL 276 CO 0.51 -0.44 0.55 0.47 -0.31 0.00 0.00 175.10 175.87 3h56 n ASP 277 N 0.41 -5.55 -4.75 4.85 10.43 -0.67 -4.93 116.55 116.34 3h56 n ASP 277 Ca -0.14 -0.26 -0.40 0.00 2.57 0.00 0.00 54.79 56.56 3h56 n ASP 277 Cb 0.57 -4.37 -0.05 0.00 1.84 0.00 0.00 41.12 39.12 3h56 n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3h56 s GLN 278 N -5.56 4.68 -0.18 -1.24 -1.52 0.23 -4.84 119.66 111.23 3h56 s GLN 278 Ca 0.27 1.69 -0.25 0.00 -1.95 0.00 0.00 55.36 55.13 3h56 s GLN 278 Cb -0.12 -3.24 -0.22 0.00 -0.22 0.00 0.00 33.01 29.21 3h56 s GLN 278 CO 0.33 0.24 0.47 1.05 -0.25 0.00 0.00 175.29 177.13 3h56 h GLU 279 N 4.34 0.00 -2.97 2.91 4.11 -1.91 0.02 114.58 121.08 3h56 h GLU 279 Ca -0.45 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.74 3h56 h GLU 279 Cb 1.21 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.13 3h56 h GLU 279 CO 0.69 0.99 -0.56 0.99 0.07 0.00 0.00 179.01 181.18 3h56 s THR 280 N -2.29 -0.31 0.48 -1.06 2.01 -1.26 -4.34 115.64 108.86 3h56 s THR 280 Ca -0.24 0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.13 3h56 s THR 280 Cb 0.02 -0.38 0.03 0.00 0.01 0.00 0.00 72.50 72.18 3h56 s THR 280 CO 0.63 0.12 0.59 -1.66 -0.69 0.00 0.00 174.62 173.61 3h56 s TRP 281 N 2.22 2.28 -0.05 4.92 -2.14 -0.60 -4.96 118.94 120.61 3h56 s TRP 281 Ca 0.00 -0.55 0.02 0.00 2.66 0.00 0.00 56.10 58.23 3h56 s TRP 281 Cb -0.12 -2.26 0.02 0.00 -3.10 0.00 0.00 33.47 28.01 3h56 s TRP 281 CO -0.07 -0.60 -0.08 0.12 -2.66 0.00 0.00 176.95 173.66 3h56 s PHE 282 N -2.50 1.01 -0.17 1.66 5.36 -1.26 -2.53 117.98 119.55 3h56 s PHE 282 Ca 0.54 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 3h56 s PHE 282 Cb -0.07 -0.79 0.04 0.00 -0.34 0.00 0.00 43.02 41.85 3h56 s PHE 282 CO 0.33 -0.20 -0.09 0.42 -1.46 0.00 0.00 175.22 174.23 3h56 s ILE 283 N 0.68 1.38 0.50 3.12 1.01 -0.25 -4.74 121.20 122.91 3h56 s ILE 283 Ca -0.11 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 3h56 s ILE 283 Cb -0.14 -1.48 -0.07 0.00 0.01 0.00 0.00 42.46 40.79 3h56 s ILE 283 CO 0.02 0.20 1.10 -2.16 0.00 0.00 0.00 174.94 174.10 3h56 s PRO 284 N 1.52 3.60 0.13 2.79 0.04 -1.26 -1.24 135.00 140.58 3h56 s PRO 284 Ca 0.01 1.56 -0.35 0.00 0.04 0.00 0.00 61.00 62.26 3h56 s PRO 284 Cb -0.15 -2.13 -0.16 0.00 0.04 0.00 0.00 34.50 32.10 3h56 s PRO 284 CO -0.08 -0.63 1.41 0.41 0.04 0.00 0.00 177.00 178.14 3h56 n GLY 285 N 0.10 0.67 0.37 0.56 0.00 -1.22 -2.01 105.19 103.67 3h56 n GLY 285 Ca 0.10 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.78 3h56 n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h56 n GLY 286 N 2.75 0.89 3.20 -0.02 0.00 0.77 -4.72 105.19 108.05 3h56 n GLY 286 Ca 0.17 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3h56 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h56 s ALA 287 N -2.00 0.33 0.16 4.61 0.00 -0.85 -4.73 121.76 119.29 3h56 s ALA 287 Ca 0.00 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 50.96 3h56 s ALA 287 Cb 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3h56 s ALA 287 CO 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 175.76 175.14 3h56 s ALA 288 N -3.96 2.89 0.21 0.00 0.00 -1.26 -1.76 121.76 117.87 3h56 s ALA 288 Ca 0.14 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 3h56 s ALA 288 Cb 0.06 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3h56 s ALA 288 CO -0.04 0.50 0.13 0.20 0.00 0.00 0.00 175.76 176.55 3h56 s GLY 289 N -2.66 1.47 -0.07 0.00 0.00 0.01 -3.25 107.32 102.82 3h56 s GLY 289 Ca 0.23 -1.71 -0.09 0.00 0.00 0.00 0.00 44.72 43.15 3h56 s GLY 289 CO 0.14 -1.42 0.22 0.00 0.00 0.00 0.00 173.10 172.05 3h56 s ALA 290 N -4.12 -0.55 -0.03 3.20 0.00 -1.00 -1.18 121.76 118.07 3h56 s ALA 290 Ca 0.39 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.87 3h56 s ALA 290 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3h56 s ALA 290 CO 0.12 -0.14 -0.11 0.00 0.00 0.00 0.00 175.76 175.63 3h56 s ALA 291 N -0.25 1.02 -0.16 0.00 0.00 -0.42 -0.84 121.76 121.12 3h56 s ALA 291 Ca -0.04 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 3h56 s ALA 291 Cb -0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3h56 s ALA 291 CO 0.01 0.18 -0.05 0.12 0.00 0.00 0.00 175.76 176.02 3h56 s PHE 292 N 0.13 2.99 -0.03 0.00 2.19 0.81 -0.36 117.98 123.71 3h56 s PHE 292 Ca -0.03 -0.39 -0.01 0.00 0.33 0.00 0.00 56.93 56.82 3h56 s PHE 292 Cb -0.09 -1.96 0.02 0.00 -1.31 0.00 0.00 43.02 39.68 3h56 s PHE 292 CO 0.01 -0.11 0.06 -0.47 1.83 0.00 0.00 175.22 176.54 3h56 s TYR 293 N 0.49 -0.05 -0.34 10.12 5.04 -0.37 -1.21 117.35 131.02 3h56 s TYR 293 Ca -0.04 0.20 -0.14 0.00 -2.44 0.00 0.00 57.07 54.65 3h56 s TYR 293 Cb -0.14 -0.08 -0.01 0.00 0.35 0.00 0.00 41.96 42.07 3h56 s TYR 293 CO 0.03 -0.07 0.32 0.99 -1.34 0.00 0.00 175.55 175.48 3h56 s THR 294 N 0.58 5.21 0.29 4.34 2.01 -1.26 -0.92 115.64 125.88 3h56 s THR 294 Ca -0.05 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 3h56 s THR 294 Cb -0.07 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 3h56 s THR 294 CO -0.02 -0.07 1.41 -0.36 -0.69 0.00 0.00 174.62 174.90 3h56 s PHE 295 N 1.92 2.97 0.00 4.92 0.40 -0.74 -4.89 117.98 122.56 3h56 s PHE 295 Ca 0.10 1.14 0.00 0.00 -0.60 0.00 0.00 56.93 57.57 3h56 s PHE 295 Cb -0.17 -3.81 0.00 0.00 0.51 0.00 0.00 43.02 39.55 3h56 s PHE 295 CO 0.11 -2.52 0.00 1.04 0.70 0.00 0.00 175.22 174.55 3h56 n GLN 296 N 1.69 3.17 -4.25 0.44 1.13 -1.26 -0.35 117.38 117.95 3h56 n GLN 296 Ca 0.04 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.93 3h56 n GLN 296 Cb 0.40 -0.76 -0.14 0.00 0.11 0.00 0.00 30.24 29.86 3h56 n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3h56 s GLN 297 N -1.50 0.66 0.80 -1.09 -1.52 -1.26 -4.59 119.66 111.17 3h56 s GLN 297 Ca 0.00 -0.48 -0.09 0.00 -1.95 0.00 0.00 55.36 52.84 3h56 s GLN 297 Cb 0.00 -0.60 0.12 0.00 -0.22 0.00 0.00 33.01 32.30 3h56 s GLN 297 CO 0.00 0.15 1.13 -1.25 -0.25 0.00 0.00 175.29 175.07 3h56 s PRO 298 N -0.69 1.62 0.00 2.91 0.04 -1.26 -4.77 135.00 132.85 3h56 s PRO 298 Ca -0.00 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.66 3h56 s PRO 298 Cb -0.05 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3h56 s PRO 298 CO 0.00 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.78 3h56 n GLY 299 N -3.22 -0.54 3.76 0.56 0.00 0.55 -4.92 105.19 101.38 3h56 n GLY 299 Ca 0.11 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 3h56 n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h56 s ILE 300 N -0.28 4.23 0.05 -0.61 -1.09 -1.26 -1.27 121.20 120.97 3h56 s ILE 300 Ca 0.00 1.92 0.07 0.00 -2.23 0.00 0.00 60.65 60.41 3h56 s ILE 300 Cb 0.00 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 3h56 s ILE 300 CO 0.00 0.50 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.70 3h56 s TYR 301 N -1.10 1.75 -0.09 3.97 1.51 -0.01 -4.99 117.35 118.39 3h56 s TYR 301 Ca 0.39 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 56.04 3h56 s TYR 301 Cb -0.25 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 3h56 s TYR 301 CO 0.29 0.10 0.03 0.00 -1.11 0.00 0.00 175.55 174.87 3h56 s ALA 302 N -0.86 3.41 -0.20 3.71 0.00 -1.23 -0.97 121.76 125.62 3h56 s ALA 302 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3h56 s ALA 302 Cb -0.09 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.48 3h56 s ALA 302 CO 0.02 0.60 -0.15 -0.47 0.00 0.00 0.00 175.76 175.76 3h56 s TYR 303 N -0.92 2.90 0.11 0.00 5.04 0.76 0.68 117.35 125.92 3h56 s TYR 303 Ca 0.14 -1.61 0.03 0.00 -2.44 0.00 0.00 57.07 53.18 3h56 s TYR 303 Cb -0.11 -1.96 -0.04 0.00 0.35 0.00 0.00 41.96 40.19 3h56 s TYR 303 CO 0.03 -0.77 -0.08 0.14 -1.34 0.00 0.00 175.55 173.53 3h56 s VAL 304 N 1.30 0.83 -0.25 3.14 -7.23 -0.36 -0.12 120.40 117.71 3h56 s VAL 304 Ca 0.03 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 57.99 3h56 s VAL 304 Cb -0.14 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 3h56 s VAL 304 CO -0.10 -0.80 1.37 0.21 -0.31 0.00 0.00 175.10 175.47 3h56 s ASN 305 N -2.98 6.67 -0.00 4.85 3.84 -0.95 -1.14 114.94 125.23 3h56 s ASN 305 Ca 0.12 1.43 0.00 0.00 0.21 0.00 0.00 52.86 54.62 3h56 s ASN 305 Cb 0.03 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 3h56 s ASN 305 CO -0.03 -1.04 0.53 1.57 -2.79 0.00 0.00 177.10 175.34 3h56 n HIS 306 N 7.55 0.00 -2.77 0.43 -0.00 0.33 -3.77 115.22 116.99 3h56 n HIS 306 Ca 0.15 -0.03 -0.43 0.00 -0.00 0.00 0.00 57.72 57.42 3h56 n HIS 306 Cb 0.46 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.99 30.30 3h56 n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3h56 s ASN 307 N 0.05 6.30 0.36 0.26 3.84 -1.26 -4.92 114.94 119.57 3h56 s ASN 307 Ca 0.00 -0.43 0.27 0.00 0.21 0.00 0.00 52.86 52.91 3h56 s ASN 307 Cb 0.00 -2.47 1.02 0.00 -0.55 0.00 0.00 41.25 39.25 3h56 s ASN 307 CO 0.00 -1.39 1.80 -0.07 -2.79 0.00 0.00 177.10 174.65 3h56 h LEU 308 N 11.45 0.00 -0.17 3.21 3.38 -1.99 0.11 115.31 131.31 3h56 h LEU 308 Ca -0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3h56 h LEU 308 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3h56 h LEU 308 CO 1.15 0.00 -0.03 0.40 0.09 0.00 0.00 178.44 180.05 3h56 h ILE 309 N 0.00 1.28 -0.40 1.22 2.04 -1.91 -3.17 117.51 116.57 3h56 h ILE 309 Ca 0.00 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 3h56 h ILE 309 Cb 0.52 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3h56 h ILE 309 CO 0.00 0.29 0.23 -0.33 0.00 0.00 0.00 178.15 178.34 3h56 h GLU 310 N 0.04 0.55 0.00 2.37 5.08 -1.18 0.11 114.58 121.56 3h56 h GLU 310 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3h56 h GLU 310 Cb 0.45 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3h56 h GLU 310 CO 0.01 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 3h56 n ALA 311 N -2.24 1.21 0.00 3.43 0.00 -0.20 -1.61 120.51 121.10 3h56 n ALA 311 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h56 n ALA 311 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3h56 n ALA 311 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h56 n GLU 313 N -1.30 0.00 -0.00 0.00 -0.58 0.33 -2.31 120.64 116.77 3h56 n GLU 313 Ca 0.00 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.83 3h56 n GLU 313 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 3h56 n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3h56 n LEU 314 N -0.43 0.67 0.00 -4.62 4.77 -0.83 -5.01 117.00 111.54 3h56 n LEU 314 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3h56 n LEU 314 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3h56 n LEU 314 CO 0.00 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3h56 n GLY 315 N 1.43 0.99 2.69 -0.72 0.00 -0.74 -1.05 105.19 107.80 3h56 n GLY 315 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3h56 n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h56 n ALA 316 N 0.00 5.98 -3.55 4.61 0.00 0.35 -4.13 120.51 123.76 3h56 n ALA 316 Ca 0.00 -4.14 -0.13 0.00 0.00 0.00 0.00 53.44 49.18 3h56 n ALA 316 Cb 0.00 -3.02 -0.13 0.00 0.00 0.00 0.00 19.45 16.30 3h56 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h56 s ALA 317 N 0.44 -0.45 0.31 0.00 0.00 -1.25 -2.23 121.76 118.57 3h56 s ALA 317 Ca 0.47 0.78 0.05 0.00 0.00 0.00 0.00 51.96 53.26 3h56 s ALA 317 Cb 0.13 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 3h56 s ALA 317 CO -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 175.76 175.56 3h56 s ALA 318 N 0.91 2.41 0.12 0.00 0.00 0.83 -4.55 121.76 121.47 3h56 s ALA 318 Ca -0.07 -1.99 0.10 0.00 0.00 0.00 0.00 51.96 50.00 3h56 s ALA 318 Cb -0.08 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 3h56 s ALA 318 CO -0.05 -0.17 -0.24 -1.01 0.00 0.00 0.00 175.76 174.29 3h56 s HIS 319 N -3.10 2.04 -0.06 0.00 3.76 -0.05 -0.17 115.29 117.71 3h56 s HIS 319 Ca 0.32 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.87 3h56 s HIS 319 Cb 0.06 -1.10 -0.02 0.00 1.11 0.00 0.00 32.58 32.63 3h56 s HIS 319 CO 0.14 0.28 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.09 3h56 s PHE 320 N -1.17 2.67 -0.22 1.40 0.08 -0.14 -1.32 117.98 119.28 3h56 s PHE 320 Ca 0.11 -0.31 -0.05 0.00 0.12 0.00 0.00 56.93 56.80 3h56 s PHE 320 Cb -0.10 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.68 3h56 s PHE 320 CO 0.05 0.06 -0.01 0.15 -0.10 0.00 0.00 175.22 175.38 3h56 s LYS 321 N -0.48 3.49 -0.13 0.44 1.02 0.11 -0.83 119.74 123.35 3h56 s LYS 321 Ca 0.06 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.50 3h56 s LYS 321 Cb -0.12 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 3h56 s LYS 321 CO 0.02 -0.15 -0.21 0.08 -0.92 0.00 0.00 175.35 174.17 3h56 s VAL 322 N 1.39 2.21 0.48 3.17 1.01 -0.39 -2.15 120.40 126.11 3h56 s VAL 322 Ca 0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3h56 s VAL 322 Cb -0.15 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3h56 s VAL 322 CO -0.00 0.54 0.75 0.42 0.00 0.00 0.00 175.10 176.81 3h56 s THR 323 N 0.71 4.45 -2.09 3.92 -4.23 -0.57 -0.33 115.64 117.50 3h56 s THR 323 Ca -0.09 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 3h56 s THR 323 Cb -0.16 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.00 3h56 s THR 323 CO 0.01 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 3h56 n GLY 324 N -2.21 0.65 3.76 3.99 0.00 -1.26 -0.66 105.19 109.45 3h56 n GLY 324 Ca 0.01 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 3h56 n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h56 s GLU 325 N -0.88 4.15 0.32 1.61 2.12 -1.26 -4.65 118.70 120.11 3h56 s GLU 325 Ca 0.00 0.31 -0.29 0.00 0.36 0.00 0.00 54.97 55.35 3h56 s GLU 325 Cb 0.00 -3.36 -0.10 0.00 0.26 0.00 0.00 34.13 30.93 3h56 s GLU 325 CO 0.00 0.37 1.38 -0.46 -0.54 0.00 0.00 175.26 176.01 3h56 s TRP 326 N -0.01 2.95 -0.48 5.30 -0.11 -1.26 -4.46 118.94 120.88 3h56 s TRP 326 Ca 0.22 1.27 -0.12 0.00 1.22 0.00 0.00 56.10 58.69 3h56 s TRP 326 Cb -0.15 -3.78 0.11 0.00 -1.50 0.00 0.00 33.47 28.15 3h56 s TRP 326 CO 0.09 -2.29 0.37 1.21 -4.62 0.00 0.00 176.95 171.71 3h56 s ASN 327 N -0.20 5.86 0.49 5.86 3.84 -1.26 -4.96 114.94 124.57 3h56 s ASN 327 Ca 0.52 -1.73 0.28 0.00 0.21 0.00 0.00 52.86 52.15 3h56 s ASN 327 Cb -0.42 -2.07 0.97 0.00 -0.55 0.00 0.00 41.25 39.18 3h56 s ASN 327 CO 0.52 -0.70 1.84 0.44 -2.79 0.00 0.00 177.10 176.42 3h56 h ASP 328 N 8.58 0.00 0.17 -4.21 5.19 -1.95 -2.65 116.42 121.55 3h56 h ASP 328 Ca -0.24 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 3h56 h ASP 328 Cb 1.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.60 3h56 h ASP 328 CO 0.88 0.06 -0.08 -0.78 -3.12 0.00 0.00 179.24 176.21 3h56 h ASP 329 N 0.00 -0.19 -0.65 6.45 -0.00 -2.02 -3.18 116.42 116.83 3h56 h ASP 329 Ca -0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 57.03 56.91 3h56 h ASP 329 Cb 0.72 0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 40.07 3h56 h ASP 329 CO 0.01 -0.05 0.22 -0.07 -0.00 0.00 0.00 179.24 179.35 3h56 h LEU 330 N -0.32 0.95 -7.00 2.28 3.38 -1.95 -3.45 115.31 109.19 3h56 h LEU 330 Ca -0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3h56 h LEU 330 Cb 0.25 -0.25 -0.22 0.00 0.09 0.00 0.00 40.66 40.54 3h56 h LEU 330 CO 0.04 0.88 0.13 -0.32 0.09 0.00 0.00 178.44 179.26 3h56 s MET 331 N -5.37 0.76 -0.04 1.13 0.00 -1.01 -5.15 119.30 109.62 3h56 s MET 331 Ca -0.11 1.03 -0.12 0.00 0.00 0.00 0.00 55.69 56.48 3h56 s MET 331 Cb 0.16 0.30 0.02 0.00 0.00 0.00 0.00 34.83 35.31 3h56 s MET 331 CO 0.82 -0.11 0.28 -0.08 0.00 0.00 0.00 175.02 175.93 3h56 s THR 332 N 0.78 0.04 -0.62 10.11 -1.32 -1.25 -4.14 115.64 119.24 3h56 s THR 332 Ca -0.03 -0.35 -0.25 0.00 -1.21 0.00 0.00 61.69 59.85 3h56 s THR 332 Cb -0.05 -0.53 0.04 0.00 -1.51 0.00 0.00 72.50 70.46 3h56 s THR 332 CO -0.06 -0.19 1.06 -0.55 -2.21 0.00 0.00 174.62 172.67 3h56 s SER 333 N -0.84 6.28 0.18 8.08 0.15 -1.26 -4.89 113.70 121.39 3h56 s SER 333 Ca -0.09 -0.46 -0.07 0.00 0.70 0.00 0.00 55.95 56.03 3h56 s SER 333 Cb -0.05 -2.48 0.07 0.00 -1.71 0.00 0.00 66.02 61.85 3h56 s SER 333 CO 0.03 -1.46 1.55 0.58 1.20 0.00 0.00 173.24 175.14 3h56 h VAL 334 N 6.03 1.28 -3.19 4.45 2.07 -2.01 -3.41 116.25 121.47 3h56 h VAL 334 Ca -0.27 -1.48 -0.41 0.00 0.82 0.00 0.00 66.70 65.36 3h56 h VAL 334 Cb 1.06 1.32 -0.40 0.00 -1.52 0.00 0.00 31.29 31.76 3h56 h VAL 334 CO 1.17 0.49 -0.74 -0.22 0.02 0.00 0.00 177.57 178.29 3h56 s LEU 335 N -8.86 0.24 0.65 2.57 2.96 -1.26 -5.15 118.68 109.84 3h56 s LEU 335 Ca -0.10 -0.25 -0.16 0.00 -0.22 0.00 0.00 54.13 53.40 3h56 s LEU 335 Cb 0.12 -0.19 -0.01 0.00 0.50 0.00 0.00 46.19 46.61 3h56 s LEU 335 CO 0.86 -0.30 1.14 0.00 -1.32 0.00 0.00 176.35 176.73 3h56 s ALA 336 N 2.15 2.46 -0.19 5.97 0.00 -1.26 -4.89 121.76 126.00 3h56 s ALA 336 Ca 0.04 0.68 -0.41 0.00 0.00 0.00 0.00 51.96 52.27 3h56 s ALA 336 Cb -0.14 -3.36 -0.18 0.00 0.00 0.00 0.00 23.12 19.44 3h56 s ALA 336 CO -0.06 -1.28 1.44 -2.30 0.00 0.00 0.00 175.76 173.56 3h56 n PRO 337 N -2.21 0.50 -3.56 0.00 -0.02 -1.26 -4.94 135.00 123.51 3h56 n PRO 337 Ca 0.11 0.18 -0.15 0.00 -2.02 0.00 0.00 63.50 61.62 3h56 n PRO 337 Cb 0.51 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 3h56 n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h56 s SER 338 N 1.79 -0.63 0.00 2.55 1.04 -1.26 -5.29 113.70 111.90 3h56 s SER 338 Ca 0.95 0.87 0.31 0.00 0.48 0.00 0.00 55.95 58.57 3h56 s SER 338 Cb -1.23 0.77 1.67 0.00 0.10 0.00 0.00 66.02 67.33 3h56 s SER 338 CO 0.64 -0.45 2.09 0.61 0.98 0.00 0.00 173.24 177.12