#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h45 n ASN 5 N 0.00 1.55 -4.31 4.39 3.02 -0.16 -4.67 115.26 115.09 3h45 n ASN 5 Ca 0.00 -1.48 -0.16 0.00 -0.03 0.00 0.00 54.58 52.91 3h45 n ASN 5 Cb 0.00 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.06 3h45 n ASN 5 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h45 s TYR 6 N -0.51 1.47 -0.03 3.10 2.02 -0.96 -3.78 117.35 118.67 3h45 s TYR 6 Ca 0.02 -1.02 0.02 0.00 -0.37 0.00 0.00 57.07 55.72 3h45 s TYR 6 Cb 0.01 -0.86 0.01 0.00 -0.40 0.00 0.00 41.96 40.72 3h45 s TYR 6 CO 0.02 -0.16 -0.07 0.08 -1.57 0.00 0.00 175.55 173.84 3h45 s VAL 7 N -3.57 0.67 -0.06 0.71 1.01 -0.44 0.12 120.40 118.84 3h45 s VAL 7 Ca 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 3h45 s VAL 7 Cb 0.06 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 3h45 s VAL 7 CO 0.09 0.22 -0.01 -0.32 0.00 0.00 0.00 175.10 175.08 3h45 s MET 8 N 0.38 2.89 -0.06 2.72 1.75 -0.85 -0.63 119.30 125.50 3h45 s MET 8 Ca -0.06 -0.49 0.05 0.00 -1.25 0.00 0.00 55.69 53.95 3h45 s MET 8 Cb -0.10 -2.72 -0.01 0.00 2.84 0.00 0.00 34.83 34.84 3h45 s MET 8 CO 0.00 0.68 -0.23 0.00 -0.65 0.00 0.00 175.02 174.82 3h45 s ALA 9 N -0.92 2.04 -0.22 4.11 0.00 0.43 -0.66 121.76 126.53 3h45 s ALA 9 Ca 0.15 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 3h45 s ALA 9 Cb -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3h45 s ALA 9 CO 0.04 0.37 -0.11 0.42 0.00 0.00 0.00 175.76 176.48 3h45 s ILE 10 N -0.05 2.60 -0.41 0.00 1.01 -0.12 -0.32 121.20 123.91 3h45 s ILE 10 Ca -0.06 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 3h45 s ILE 10 Cb -0.14 -2.26 0.11 0.00 0.01 0.00 0.00 42.46 40.18 3h45 s ILE 10 CO 0.04 0.31 0.19 -0.62 0.00 0.00 0.00 174.94 174.86 3h45 s ASP 11 N 1.31 5.21 -0.52 3.58 2.15 0.13 -1.46 116.67 127.06 3h45 s ASP 11 Ca 0.01 -2.06 -0.22 0.00 0.43 0.00 0.00 52.55 50.72 3h45 s ASP 11 Cb -0.16 -1.81 0.05 0.00 -0.30 0.00 0.00 42.92 40.70 3h45 s ASP 11 CO -0.07 -0.53 0.80 -1.58 -0.17 0.00 0.00 175.17 173.63 3h45 s GLN 12 N 1.10 3.26 0.08 4.34 -0.44 -0.80 -1.34 119.66 125.87 3h45 s GLN 12 Ca 0.09 -0.48 -0.00 0.00 -2.50 0.00 0.00 55.36 52.47 3h45 s GLN 12 Cb -0.22 -4.05 0.02 0.00 -1.64 0.00 0.00 33.01 27.11 3h45 s GLN 12 CO -0.05 -1.34 0.11 0.41 0.50 0.00 0.00 175.29 174.92 3h45 n GLY 13 N 5.12 0.71 0.16 2.59 0.00 0.89 -1.33 105.19 113.32 3h45 n GLY 13 Ca -0.01 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 3h45 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h45 h THR 14 N -0.42 1.41 0.00 2.61 2.02 -1.96 -3.36 112.91 113.20 3h45 h THR 14 Ca -0.04 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.74 3h45 h THR 14 Cb 0.13 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 3h45 h THR 14 CO 0.04 0.72 0.00 0.35 0.37 0.00 0.00 175.52 176.99 3h45 n THR 15 N -3.75 0.00 -3.60 3.16 -2.24 -1.26 -5.00 114.28 101.58 3h45 n THR 15 Ca -0.06 -0.43 -0.07 0.00 -2.27 0.00 0.00 64.05 61.22 3h45 n THR 15 Cb 0.80 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 70.13 3h45 n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h45 s SER 16 N -0.14 -0.31 0.08 3.42 1.04 -1.26 -2.86 113.70 113.66 3h45 s SER 16 Ca 0.00 -0.16 0.09 0.00 0.48 0.00 0.00 55.95 56.36 3h45 s SER 16 Cb 0.00 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 3h45 s SER 16 CO 0.00 -0.78 -0.25 -0.44 0.98 0.00 0.00 173.24 172.75 3h45 s SER 17 N -2.69 3.04 0.00 7.02 0.01 -0.40 -0.08 113.70 120.60 3h45 s SER 17 Ca 0.07 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 56.70 3h45 s SER 17 Cb -0.01 -0.24 -0.00 0.00 0.21 0.00 0.00 66.02 65.98 3h45 s SER 17 CO -0.05 0.20 -0.04 -0.60 0.41 0.00 0.00 173.24 173.16 3h45 s ARG 18 N -1.57 0.31 -0.07 12.44 3.52 -0.45 -1.15 118.95 131.98 3h45 s ARG 18 Ca 0.11 -0.18 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 3h45 s ARG 18 Cb -0.10 -0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.03 3h45 s ARG 18 CO 0.04 0.07 -0.11 0.00 -0.81 0.00 0.00 175.30 174.49 3h45 s ALA 19 N -0.20 1.25 -0.01 6.12 0.00 -0.78 0.19 121.76 128.32 3h45 s ALA 19 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.58 3h45 s ALA 19 Cb -0.02 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 3h45 s ALA 19 CO -0.00 0.04 -0.12 0.42 0.00 0.00 0.00 175.76 176.09 3h45 s ILE 20 N 0.81 0.99 -0.24 0.00 1.01 0.56 -1.89 121.20 122.44 3h45 s ILE 20 Ca -0.12 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 3h45 s ILE 20 Cb -0.15 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 3h45 s ILE 20 CO 0.02 0.28 0.03 -0.63 0.00 0.00 0.00 174.94 174.64 3h45 s ILE 21 N -0.23 4.03 0.03 2.92 1.01 -0.42 -0.43 121.20 128.11 3h45 s ILE 21 Ca 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3h45 s ILE 21 Cb -0.06 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 3h45 s ILE 21 CO -0.00 0.37 0.02 -0.36 0.00 0.00 0.00 174.94 174.97 3h45 s PHE 22 N 1.52 3.10 0.36 3.97 0.08 0.20 -0.62 117.98 126.59 3h45 s PHE 22 Ca 0.06 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.19 3h45 s PHE 22 Cb -0.15 -1.64 0.07 0.00 -0.57 0.00 0.00 43.02 40.73 3h45 s PHE 22 CO 0.02 0.48 0.50 -0.40 -0.10 0.00 0.00 175.22 175.72 3h45 n ASP 23 N 1.09 0.79 0.33 1.36 5.68 -0.98 -1.33 116.55 123.48 3h45 n ASP 23 Ca -0.13 -1.64 0.19 0.00 -0.50 0.00 0.00 54.79 52.71 3h45 n ASP 23 Cb 0.52 -0.31 1.02 0.00 -1.14 0.00 0.00 41.12 41.21 3h45 n ASP 23 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3h45 h ARG 24 N 0.00 0.00 -0.02 0.11 9.65 -1.92 -1.40 114.38 120.79 3h45 h ARG 24 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3h45 h ARG 24 Cb 0.64 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3h45 h ARG 24 CO 0.19 0.00 -0.32 0.09 2.80 0.00 0.00 179.97 182.73 3h45 n ASN 25 N -3.07 2.24 0.00 -3.80 3.02 -1.26 -4.96 115.26 107.43 3h45 n ASN 25 Ca -0.02 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 3h45 n ASN 25 Cb 0.23 0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 3h45 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h45 n GLY 26 N 1.39 0.53 3.78 7.41 0.00 -0.53 -5.01 105.19 112.76 3h45 n GLY 26 Ca 0.11 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 3h45 n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h45 s LYS 27 N -2.22 4.04 -0.16 1.61 2.20 -1.26 -4.85 119.74 119.09 3h45 s LYS 27 Ca 0.00 0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 55.51 3h45 s LYS 27 Cb 0.00 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3h45 s LYS 27 CO 0.00 0.45 1.67 0.21 -0.36 0.00 0.00 175.35 177.32 3h45 s LYS 28 N -0.21 3.88 0.09 4.03 2.20 -1.26 -2.33 119.74 126.13 3h45 s LYS 28 Ca 0.19 1.86 0.21 0.00 -0.36 0.00 0.00 55.97 57.88 3h45 s LYS 28 Cb -0.14 -4.04 -0.14 0.00 -1.51 0.00 0.00 37.83 31.99 3h45 s LYS 28 CO 0.07 -1.20 0.79 -0.89 -0.36 0.00 0.00 175.35 173.76 3h45 n ILE 29 N 6.19 0.51 0.00 5.43 2.08 0.21 -5.00 119.36 128.77 3h45 n ILE 29 Ca 0.19 -0.56 0.00 0.00 0.56 0.00 0.00 62.75 62.94 3h45 n ILE 29 Cb 0.44 -0.28 0.00 0.00 -0.75 0.00 0.00 39.64 39.06 3h45 n ILE 29 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3h45 n GLY 30 N 1.26 0.86 3.57 7.39 0.00 -1.24 -4.54 105.19 112.49 3h45 n GLY 30 Ca -0.04 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 3h45 n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h45 s SER 31 N 0.00 -0.33 -0.05 1.61 1.04 -1.26 -1.30 113.70 113.41 3h45 s SER 31 Ca 0.00 -0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.16 3h45 s SER 31 Cb 0.00 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.59 3h45 s SER 31 CO 0.00 -0.76 0.33 -0.55 0.98 0.00 0.00 173.24 173.24 3h45 s SER 32 N -2.65 -0.25 -0.00 7.02 0.15 -0.79 -4.49 113.70 112.68 3h45 s SER 32 Ca 0.07 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 57.01 3h45 s SER 32 Cb -0.01 0.45 -0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3h45 s SER 32 CO -0.06 -0.34 0.01 -1.58 1.20 0.00 0.00 173.24 172.47 3h45 s GLN 33 N -0.82 0.05 -0.15 5.44 0.74 -1.26 -1.87 119.66 121.80 3h45 s GLN 33 Ca -0.09 -0.04 -0.08 0.00 0.05 0.00 0.00 55.36 55.20 3h45 s GLN 33 Cb -0.04 0.02 0.06 0.00 1.10 0.00 0.00 33.01 34.15 3h45 s GLN 33 CO 0.03 -0.01 0.35 0.21 -0.55 0.00 0.00 175.29 175.33 3h45 s LYS 34 N -0.16 0.33 0.72 1.67 2.20 -0.30 -4.96 119.74 119.23 3h45 s LYS 34 Ca -0.02 0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 56.19 3h45 s LYS 34 Cb -0.01 -0.05 0.02 0.00 -1.51 0.00 0.00 37.83 36.28 3h45 s LYS 34 CO -0.00 -0.16 1.07 -1.21 -0.36 0.00 0.00 175.35 174.69 3h45 s GLU 35 N 1.40 2.74 0.04 4.03 2.02 -1.26 -1.27 118.70 126.39 3h45 s GLU 35 Ca -0.09 0.72 0.00 0.00 0.02 0.00 0.00 54.97 55.63 3h45 s GLU 35 Cb -0.09 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 3h45 s GLU 35 CO -0.11 -1.18 -0.05 -0.59 0.02 0.00 0.00 175.26 173.35 3h45 s PHE 36 N -3.16 0.49 0.25 1.61 -0.12 -1.14 -4.90 117.98 111.01 3h45 s PHE 36 Ca 0.58 -0.70 -0.29 0.00 -0.05 0.00 0.00 56.93 56.48 3h45 s PHE 36 Cb -0.13 -0.32 -0.15 0.00 -0.63 0.00 0.00 43.02 41.78 3h45 s PHE 36 CO 0.54 -0.21 0.92 -2.30 -0.05 0.00 0.00 175.22 174.12 3h45 n PRO 37 N 1.02 0.99 -4.78 1.99 -0.02 -1.26 -4.82 135.00 128.11 3h45 n PRO 37 Ca -0.20 0.35 -0.33 0.00 -2.02 0.00 0.00 63.50 61.30 3h45 n PRO 37 Cb 0.57 -1.65 -0.16 0.00 -0.02 0.00 0.00 33.50 32.24 3h45 n PRO 37 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3h45 s GLN 38 N -1.23 3.12 -0.09 -0.52 -1.52 -1.26 -4.66 119.66 113.49 3h45 s GLN 38 Ca 0.62 -0.82 -0.00 0.00 -1.95 0.00 0.00 55.36 53.22 3h45 s GLN 38 Cb -0.78 -2.47 -0.03 0.00 -0.22 0.00 0.00 33.01 29.50 3h45 s GLN 38 CO 0.58 0.07 -0.06 0.71 -0.25 0.00 0.00 175.29 176.34 3h45 s TYR 39 N 0.65 2.98 -0.55 0.91 2.02 -0.84 -5.00 117.35 117.51 3h45 s TYR 39 Ca -0.10 -0.03 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 3h45 s TYR 39 Cb -0.16 -1.76 0.23 0.00 -0.40 0.00 0.00 41.96 39.86 3h45 s TYR 39 CO 0.02 0.27 0.60 1.19 -1.57 0.00 0.00 175.55 176.06 3h45 n PHE 40 N 2.46 1.93 -0.34 2.71 3.72 -1.26 -0.80 117.46 125.89 3h45 n PHE 40 Ca -0.18 -3.92 0.14 0.00 -0.05 0.00 0.00 57.45 53.44 3h45 n PHE 40 Cb 0.53 -0.42 0.33 0.00 -0.94 0.00 0.00 39.48 38.98 3h45 n PHE 40 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3h45 h PRO 41 N 4.48 0.62 -3.53 -1.08 0.11 -1.97 -3.44 132.00 127.19 3h45 h PRO 41 Ca 0.16 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.14 3h45 h PRO 41 Cb 0.77 -0.14 -0.16 0.00 0.11 0.00 0.00 31.00 31.57 3h45 h PRO 41 CO 0.66 0.41 -0.32 0.15 -0.21 0.00 0.00 178.00 178.69 3h45 s LYS 42 N -5.85 0.79 0.04 1.05 1.02 -1.26 -5.04 119.74 110.48 3h45 s LYS 42 Ca -0.11 -0.68 -0.38 0.00 0.02 0.00 0.00 55.97 54.82 3h45 s LYS 42 Cb 0.25 0.33 -0.18 0.00 -0.52 0.00 0.00 37.83 37.72 3h45 s LYS 42 CO 0.79 -0.25 1.29 0.45 -0.92 0.00 0.00 175.35 176.72 3h45 n SER 43 N 0.42 1.24 0.00 2.83 2.88 -1.26 0.10 113.62 119.82 3h45 n SER 43 Ca -0.18 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 3h45 n SER 43 Cb 0.60 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 3h45 n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h45 n GLY 44 N 2.34 2.66 3.77 0.46 0.00 -1.26 -4.99 105.19 108.17 3h45 n GLY 44 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3h45 n GLY 44 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h45 s TRP 45 N -2.47 3.61 -0.08 1.61 0.52 0.28 -0.97 118.94 121.45 3h45 s TRP 45 Ca 0.00 0.96 -0.02 0.00 0.02 0.00 0.00 56.10 57.06 3h45 s TRP 45 Cb 0.00 -2.47 0.03 0.00 -1.15 0.00 0.00 33.47 29.89 3h45 s TRP 45 CO 0.00 0.36 0.04 0.08 0.02 0.00 0.00 176.95 177.44 3h45 s VAL 46 N -0.08 0.16 0.18 4.03 1.01 -1.26 -4.25 120.40 120.19 3h45 s VAL 46 Ca 0.26 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.44 3h45 s VAL 46 Cb -0.16 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 3h45 s VAL 46 CO 0.12 0.14 -0.08 -1.61 0.00 0.00 0.00 175.10 173.67 3h45 s GLU 47 N 2.06 1.18 0.08 2.72 2.02 0.02 -1.95 118.70 124.83 3h45 s GLU 47 Ca 0.04 -1.54 0.04 0.00 0.02 0.00 0.00 54.97 53.54 3h45 s GLU 47 Cb -0.13 -0.71 -0.03 0.00 0.10 0.00 0.00 34.13 33.36 3h45 s GLU 47 CO -0.05 0.04 -0.12 -1.01 0.02 0.00 0.00 175.26 174.14 3h45 s HIS 48 N -3.29 1.10 -0.53 1.61 3.76 0.11 -1.98 115.29 116.07 3h45 s HIS 48 Ca 0.21 -0.53 -0.18 0.00 -0.15 0.00 0.00 55.06 54.41 3h45 s HIS 48 Cb 0.03 -0.62 0.08 0.00 1.11 0.00 0.00 32.58 33.18 3h45 s HIS 48 CO 0.04 0.03 0.59 1.21 -0.85 0.00 0.00 174.74 175.76 3h45 s ASN 49 N -1.97 6.20 0.52 1.40 3.84 -1.26 0.15 114.94 123.81 3h45 s ASN 49 Ca -0.00 -1.21 0.37 0.00 0.21 0.00 0.00 52.86 52.22 3h45 s ASN 49 Cb -0.08 -2.27 1.52 0.00 -0.55 0.00 0.00 41.25 39.88 3h45 s ASN 49 CO 0.01 -0.91 1.74 0.00 -2.79 0.00 0.00 177.10 175.16 3h45 h ALA 50 N 9.00 3.12 -0.04 1.71 0.00 -1.93 0.38 119.26 131.50 3h45 h ALA 50 Ca -0.28 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.36 3h45 h ALA 50 Cb 1.10 0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.01 3h45 h ALA 50 CO 0.99 -1.54 -0.94 -0.91 0.00 0.00 0.00 179.25 176.85 3h45 h ASN 51 N 0.06 0.91 -0.40 0.00 2.35 -1.97 -2.41 115.58 114.11 3h45 h ASN 51 Ca 0.66 -0.71 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3h45 h ASN 51 Cb 2.49 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 40.57 3h45 h ASN 51 CO -0.08 1.49 0.11 -0.33 -1.65 0.00 0.00 177.43 176.96 3h45 h GLU 52 N 0.41 0.70 0.03 0.81 5.08 -0.72 -1.60 114.58 119.30 3h45 h GLU 52 Ca -0.11 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3h45 h GLU 52 Cb 1.59 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.73 3h45 h GLU 52 CO 0.19 0.65 -0.01 0.82 -1.00 0.00 0.00 179.01 179.65 3h45 h ILE 53 N 0.68 1.07 -0.98 3.13 2.04 -1.11 -1.85 117.51 120.50 3h45 h ILE 53 Ca 0.15 -0.31 0.10 0.00 1.00 0.00 0.00 64.86 65.80 3h45 h ILE 53 Cb 0.27 1.28 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 3h45 h ILE 53 CO -0.00 0.08 0.62 -0.25 0.00 0.00 0.00 178.15 178.59 3h45 h TRP 54 N -0.17 1.13 -0.18 1.37 -0.00 -1.11 -0.69 115.95 116.29 3h45 h TRP 54 Ca -0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.85 3h45 h TRP 54 Cb 0.16 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 28.95 3h45 h TRP 54 CO -0.03 0.49 -0.17 -0.91 -0.00 0.00 0.00 178.44 177.81 3h45 h ASN 55 N 1.02 0.29 1.43 2.65 4.21 -0.94 -0.49 115.58 123.75 3h45 h ASN 55 Ca 0.47 -0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.88 3h45 h ASN 55 Cb 0.38 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.50 3h45 h ASN 55 CO -0.24 0.48 -0.11 0.77 -1.29 0.00 0.00 177.43 177.05 3h45 h SER 56 N 0.28 0.00 0.11 5.81 4.64 -0.31 -2.10 113.55 121.97 3h45 h SER 56 Ca 0.05 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.16 3h45 h SER 56 Cb 0.47 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3h45 h SER 56 CO 0.03 0.11 -0.88 0.58 -0.87 0.00 0.00 176.83 175.80 3h45 h VAL 57 N 0.00 1.43 -0.64 0.95 2.07 -0.63 -2.37 116.25 117.06 3h45 h VAL 57 Ca -0.00 -2.40 0.04 0.00 0.82 0.00 0.00 66.70 65.15 3h45 h VAL 57 Cb 0.85 2.93 -0.04 0.00 -1.52 0.00 0.00 31.29 33.50 3h45 h VAL 57 CO 0.01 0.70 0.38 1.56 0.02 0.00 0.00 177.57 180.24 3h45 h GLN 58 N -0.14 0.72 -0.00 1.57 4.20 -1.01 0.28 115.11 120.73 3h45 h GLN 58 Ca -0.14 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3h45 h GLN 58 Cb 1.64 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 29.25 3h45 h GLN 58 CO 0.17 0.48 -0.01 0.77 -0.67 0.00 0.00 178.83 179.56 3h45 h SER 59 N 0.74 -0.03 0.41 1.46 0.02 -1.42 -0.60 113.55 114.13 3h45 h SER 59 Ca 0.26 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.13 3h45 h SER 59 Cb 0.06 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3h45 h SER 59 CO -0.12 -0.01 -0.43 -0.37 -1.14 0.00 0.00 176.83 174.76 3h45 h VAL 60 N -0.01 1.31 0.43 2.27 -1.51 -0.95 0.35 116.25 118.14 3h45 h VAL 60 Ca 0.01 -1.47 -0.02 0.00 -1.23 0.00 0.00 66.70 63.99 3h45 h VAL 60 Cb 0.02 1.78 -0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3h45 h VAL 60 CO -0.01 0.42 -0.25 0.40 -1.23 0.00 0.00 177.57 176.90 3h45 h ILE 61 N 0.02 0.48 0.79 7.19 1.08 -0.04 -0.98 117.51 126.05 3h45 h ILE 61 Ca -0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 3h45 h ILE 61 Cb 0.76 0.48 0.01 0.00 -3.07 0.00 0.00 36.82 35.00 3h45 h ILE 61 CO 0.06 0.00 -0.39 0.00 -0.69 0.00 0.00 178.15 177.13 3h45 h ALA 62 N -0.10 -1.08 -1.02 1.87 0.00 -0.66 -2.70 119.26 115.57 3h45 h ALA 62 Ca -0.05 -0.23 0.27 0.00 0.00 0.00 0.00 54.91 54.90 3h45 h ALA 62 Cb 0.52 0.42 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 3h45 h ALA 62 CO 0.06 -1.11 0.61 0.78 0.00 0.00 0.00 179.25 179.59 3h45 h GLY 63 N -1.08 1.84 0.92 0.00 0.00 -0.28 0.14 103.07 104.61 3h45 h GLY 63 Ca -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3h45 h GLY 63 CO 0.17 -0.30 0.11 0.00 0.00 0.00 0.00 176.54 176.53 3h45 h ALA 64 N 1.74 0.41 0.22 3.60 0.00 -0.97 -2.68 119.26 121.59 3h45 h ALA 64 Ca 0.67 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 3h45 h ALA 64 Cb 1.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3h45 h ALA 64 CO -0.48 0.02 -0.11 0.74 0.00 0.00 0.00 179.25 179.42 3h45 h PHE 65 N 0.36 -0.28 0.00 0.00 0.04 -0.49 -2.52 116.94 114.05 3h45 h PHE 65 Ca 0.10 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3h45 h PHE 65 Cb 0.21 0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3h45 h PHE 65 CO -0.00 -0.08 0.00 -0.89 -0.60 0.00 0.00 178.31 176.74 3h45 n ILE 66 N -5.17 0.00 0.19 -0.55 2.08 -0.20 -0.63 119.36 115.09 3h45 n ILE 66 Ca -0.09 1.35 0.13 0.00 0.56 0.00 0.00 62.75 64.70 3h45 n ILE 66 Cb 0.18 -2.08 0.69 0.00 -0.75 0.00 0.00 39.64 37.68 3h45 n ILE 66 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 3h45 h GLU 67 N 0.00 0.00 0.00 0.38 4.11 -1.60 0.71 114.58 118.18 3h45 h GLU 67 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3h45 h GLU 67 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3h45 h GLU 67 CO 0.00 0.00 -0.82 -1.13 0.07 0.00 0.00 179.01 177.13 3h45 n SER 68 N -2.39 0.74 -3.78 3.06 3.41 -0.93 -4.91 113.62 108.82 3h45 n SER 68 Ca -0.02 -0.59 -0.26 0.00 -0.26 0.00 0.00 58.87 57.75 3h45 n SER 68 Cb 0.06 0.69 0.04 0.00 -0.26 0.00 0.00 64.21 64.74 3h45 n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h45 n GLY 69 N 1.48 -0.43 3.41 5.00 0.00 0.24 -4.92 105.19 109.97 3h45 n GLY 69 Ca 0.04 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 3h45 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h45 s ILE 70 N -3.43 2.33 -0.06 -0.61 -1.09 -1.09 -5.07 121.20 112.18 3h45 s ILE 70 Ca 0.40 -1.94 -0.03 0.00 -2.23 0.00 0.00 60.65 56.86 3h45 s ILE 70 Cb -0.20 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 3h45 s ILE 70 CO 0.81 -0.05 0.08 -0.13 -1.23 0.00 0.00 174.94 174.42 3h45 s ARG 71 N -2.46 3.17 0.46 2.79 0.52 -1.26 -4.74 118.95 117.43 3h45 s ARG 71 Ca 0.18 -0.36 0.26 0.00 -0.52 0.00 0.00 55.73 55.29 3h45 s ARG 71 Cb -0.09 -2.95 1.29 0.00 0.52 0.00 0.00 34.95 33.73 3h45 s ARG 71 CO 0.09 0.70 1.81 -1.35 0.02 0.00 0.00 175.30 176.56 3h45 h PRO 72 N 4.57 0.21 0.00 3.54 0.11 -1.95 0.13 132.00 138.61 3h45 h PRO 72 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3h45 h PRO 72 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3h45 h PRO 72 CO 0.60 0.14 0.00 1.05 -0.21 0.00 0.00 178.00 179.58 3h45 h GLU 73 N 0.22 0.00 -0.01 1.05 4.11 -1.92 -0.59 114.58 117.44 3h45 h GLU 73 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 3h45 h GLU 73 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 3h45 h GLU 73 CO -0.16 0.00 -0.14 0.00 0.07 0.00 0.00 179.01 178.79 3h45 n ALA 74 N -2.04 2.84 -2.60 1.06 0.00 0.45 -4.13 120.51 116.09 3h45 n ALA 74 Ca -0.03 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 3h45 n ALA 74 Cb 0.07 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 3h45 n ALA 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h45 s ILE 75 N -2.35 4.54 0.11 0.00 -1.09 -0.23 -0.99 121.20 121.19 3h45 s ILE 75 Ca 0.30 1.20 -0.18 0.00 -2.23 0.00 0.00 60.65 59.74 3h45 s ILE 75 Cb 0.20 -4.37 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 3h45 s ILE 75 CO 0.45 -0.60 1.68 0.00 -1.23 0.00 0.00 174.94 175.24 3h45 h ALA 76 N 8.56 0.38 -2.45 9.38 0.00 0.72 -3.45 119.26 132.40 3h45 h ALA 76 Ca -0.23 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.68 3h45 h ALA 76 Cb 1.07 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 3h45 h ALA 76 CO 1.00 -0.05 0.43 0.20 0.00 0.00 0.00 179.25 180.84 3h45 s GLY 77 N -2.76 -0.40 -0.04 0.00 0.00 -1.25 -4.56 107.32 98.30 3h45 s GLY 77 Ca -0.13 0.61 0.03 0.00 0.00 0.00 0.00 44.72 45.23 3h45 s GLY 77 CO 0.72 0.19 -0.12 -0.42 0.00 0.00 0.00 173.10 173.47 3h45 s ILE 78 N -3.31 3.23 -0.10 0.90 1.01 0.10 -2.02 121.20 121.02 3h45 s ILE 78 Ca 0.07 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3h45 s ILE 78 Cb -0.01 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 3h45 s ILE 78 CO -0.06 0.56 -0.19 -0.83 0.00 0.00 0.00 174.94 174.43 3h45 s GLY 79 N -0.84 1.43 -0.22 6.18 0.00 0.17 -1.68 107.32 112.36 3h45 s GLY 79 Ca 0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.87 3h45 s GLY 79 CO 0.01 -0.33 -0.08 -0.42 0.00 0.00 0.00 173.10 172.28 3h45 s ILE 80 N 0.22 2.97 0.09 0.90 -1.09 0.31 -0.95 121.20 123.66 3h45 s ILE 80 Ca -0.12 -0.70 0.07 0.00 -2.23 0.00 0.00 60.65 57.66 3h45 s ILE 80 Cb -0.16 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 3h45 s ILE 80 CO 0.07 0.40 -0.17 0.28 -1.23 0.00 0.00 174.94 174.28 3h45 s THR 81 N 1.41 1.42 0.30 2.92 -1.32 -0.54 -1.92 115.64 117.91 3h45 s THR 81 Ca 0.04 -1.46 -0.18 0.00 -1.21 0.00 0.00 61.69 58.88 3h45 s THR 81 Cb -0.14 -1.35 0.02 0.00 -1.51 0.00 0.00 72.50 69.52 3h45 s THR 81 CO -0.06 -0.16 0.69 0.54 -2.21 0.00 0.00 174.62 173.42 3h45 s ASN 82 N -1.89 -0.15 0.02 8.08 4.22 -1.16 -1.90 114.94 122.17 3h45 s ASN 82 Ca 0.03 -0.79 -0.30 0.00 -2.14 0.00 0.00 52.86 49.66 3h45 s ASN 82 Cb -0.10 0.73 -0.07 0.00 1.28 0.00 0.00 41.25 43.10 3h45 s ASN 82 CO 0.03 -1.39 1.55 0.00 -2.04 0.00 0.00 177.10 175.25 3h45 s GLN 83 N -3.59 4.23 0.98 3.55 -2.07 -0.45 -0.31 119.66 122.01 3h45 s GLN 83 Ca 0.14 2.16 -0.15 0.00 -1.82 0.00 0.00 55.36 55.69 3h45 s GLN 83 Cb -0.05 -3.64 0.19 0.00 -1.09 0.00 0.00 33.01 28.42 3h45 s GLN 83 CO 0.09 -0.68 1.21 1.03 -1.32 0.00 0.00 175.29 175.61 3h45 s ARG 84 N 2.72 0.54 0.00 9.60 0.52 -1.26 -4.29 118.95 126.78 3h45 s ARG 84 Ca 0.70 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.82 3h45 s ARG 84 Cb -0.35 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.31 3h45 s ARG 84 CO 0.29 -2.54 0.00 0.39 0.02 0.00 0.00 175.30 173.47 3h45 n GLU 85 N -3.93 0.00 -1.67 3.54 4.71 -1.26 -4.40 120.64 117.63 3h45 n GLU 85 Ca 0.12 0.00 -0.66 0.00 -0.01 0.00 0.00 57.16 56.60 3h45 n GLU 85 Cb 0.60 -0.15 -0.10 0.00 -1.01 0.00 0.00 31.44 30.78 3h45 n GLU 85 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3h45 n THR 86 N 0.00 0.02 -3.84 2.62 -1.04 -1.26 -4.09 114.28 106.69 3h45 n THR 86 Ca 0.00 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.05 61.64 3h45 n THR 86 Cb 0.00 -0.55 -0.06 0.00 -1.82 0.00 0.00 70.33 67.90 3h45 n THR 86 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3h45 s THR 87 N 3.50 5.43 -0.05 12.58 2.01 -0.39 -3.46 115.64 135.26 3h45 s THR 87 Ca 1.07 0.19 0.01 0.00 0.31 0.00 0.00 61.69 63.27 3h45 s THR 87 Cb -1.47 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 67.59 3h45 s THR 87 CO 0.78 0.53 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.52 3h45 s VAL 88 N -1.12 0.49 -0.14 3.82 1.01 -0.57 -2.19 120.40 121.71 3h45 s VAL 88 Ca 0.20 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.11 3h45 s VAL 88 Cb -0.13 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.73 3h45 s VAL 88 CO 0.09 0.22 -0.20 -0.69 0.00 0.00 0.00 175.10 174.52 3h45 s VAL 89 N 1.01 1.91 0.09 2.92 1.01 -1.26 -1.27 120.40 124.80 3h45 s VAL 89 Ca -0.10 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3h45 s VAL 89 Cb -0.14 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3h45 s VAL 89 CO -0.01 0.52 -0.03 -1.66 0.00 0.00 0.00 175.10 173.92 3h45 s TRP 90 N 0.95 0.77 -0.24 5.22 -2.14 -0.61 -0.69 118.94 122.19 3h45 s TRP 90 Ca -0.05 -1.02 -0.29 0.00 2.66 0.00 0.00 56.10 57.40 3h45 s TRP 90 Cb -0.15 -0.48 0.00 0.00 -3.10 0.00 0.00 33.47 29.75 3h45 s TRP 90 CO -0.04 -0.29 1.13 0.34 -2.66 0.00 0.00 176.95 175.43 3h45 s ASP 91 N -3.01 6.99 0.54 -2.66 2.15 -0.40 -0.87 116.67 119.42 3h45 s ASP 91 Ca 0.12 1.38 0.32 0.00 0.43 0.00 0.00 52.55 54.81 3h45 s ASP 91 Cb 0.07 -2.54 1.49 0.00 -0.30 0.00 0.00 42.92 41.64 3h45 s ASP 91 CO -0.05 -0.77 1.86 0.50 -0.17 0.00 0.00 175.17 176.54 3h45 h LYS 92 N 7.92 0.00 0.07 4.34 3.64 -1.82 0.44 116.57 131.16 3h45 h LYS 92 Ca -0.22 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.89 3h45 h LYS 92 Cb 1.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 3h45 h LYS 92 CO 0.99 0.00 -1.45 1.15 -2.27 0.00 0.00 179.45 177.87 3h45 h THR 93 N 0.00 0.91 0.00 1.00 2.02 -1.92 -3.39 112.91 111.53 3h45 h THR 93 Ca 0.44 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 65.32 3h45 h THR 93 Cb 1.80 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 70.72 3h45 h THR 93 CO -0.00 0.60 -1.07 0.35 0.37 0.00 0.00 175.52 175.77 3h45 n THR 94 N -4.03 0.13 -1.20 3.16 -2.24 -1.09 -4.95 114.28 104.06 3h45 n THR 94 Ca -0.29 -0.22 -0.07 0.00 -2.27 0.00 0.00 64.05 61.20 3h45 n THR 94 Cb 0.84 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 3h45 n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h45 n GLY 95 N 1.38 0.85 3.73 3.38 0.00 0.15 -4.99 105.19 109.69 3h45 n GLY 95 Ca 0.02 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 3h45 n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h45 s GLN 96 N -2.21 4.24 0.47 1.61 -1.52 -1.25 -4.80 119.66 116.20 3h45 s GLN 96 Ca 0.00 0.15 -0.24 0.00 -1.95 0.00 0.00 55.36 53.32 3h45 s GLN 96 Cb 0.00 -3.41 -0.07 0.00 -0.22 0.00 0.00 33.01 29.31 3h45 s GLN 96 CO 0.00 0.26 1.29 -2.14 -0.25 0.00 0.00 175.29 174.44 3h45 s PRO 97 N 0.39 3.60 0.22 2.91 0.02 -1.26 -1.27 135.00 139.61 3h45 s PRO 97 Ca 0.18 2.08 0.25 0.00 0.02 0.00 0.00 61.00 63.54 3h45 s PRO 97 Cb -0.13 -2.47 0.87 0.00 0.02 0.00 0.00 34.50 32.79 3h45 s PRO 97 CO 0.05 -0.77 1.76 0.44 -0.33 0.00 0.00 177.00 178.15 3h45 n ILE 98 N -0.48 0.66 -3.80 2.83 -0.00 0.13 -4.88 119.36 113.83 3h45 n ILE 98 Ca 0.07 -0.11 0.01 0.00 -0.00 0.00 0.00 62.75 62.72 3h45 n ILE 98 Cb 0.45 -0.77 0.00 0.00 -0.00 0.00 0.00 39.64 39.33 3h45 n ILE 98 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3h45 s ALA 99 N -3.17 -2.22 0.63 -1.28 0.00 -1.26 -5.05 121.76 109.41 3h45 s ALA 99 Ca 0.09 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.15 3h45 s ALA 99 Cb 0.11 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 3h45 s ALA 99 CO 0.53 -1.09 1.18 0.09 0.00 0.00 0.00 175.76 176.46 3h45 n ASN 100 N -0.80 1.63 -4.78 0.00 3.02 -1.26 -4.80 115.26 108.27 3h45 n ASN 100 Ca -0.03 0.83 -0.37 0.00 -0.03 0.00 0.00 54.58 54.98 3h45 n ASN 100 Cb 0.61 -1.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.24 3h45 n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h45 s ALA 101 N -1.43 3.08 -0.30 5.41 0.00 0.39 -4.80 121.76 124.11 3h45 s ALA 101 Ca 0.80 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 53.31 3h45 s ALA 101 Cb -0.40 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 3h45 s ALA 101 CO 0.43 -0.27 0.56 0.42 0.00 0.00 0.00 175.76 176.90 3h45 s ILE 102 N -1.63 5.00 0.83 0.00 1.09 -0.93 -0.71 121.20 124.85 3h45 s ILE 102 Ca 0.58 0.74 -0.11 0.00 -1.10 0.00 0.00 60.65 60.77 3h45 s ILE 102 Cb -0.23 -3.93 0.09 0.00 -1.06 0.00 0.00 42.46 37.33 3h45 s ILE 102 CO 0.29 -0.08 1.10 -0.69 -0.10 0.00 0.00 174.94 175.46 3h45 s VAL 103 N 2.45 2.96 0.33 2.92 1.01 -0.82 -1.26 120.40 127.98 3h45 s VAL 103 Ca 0.22 0.31 0.25 0.00 0.00 0.00 0.00 61.98 62.76 3h45 s VAL 103 Cb -0.15 -2.70 0.26 0.00 0.00 0.00 0.00 36.38 33.78 3h45 s VAL 103 CO 0.11 -0.41 1.98 4.11 0.00 0.00 0.00 175.10 180.89 3h45 h TRP 104 N -1.37 0.00 -0.43 5.22 5.08 -1.86 -2.82 115.95 119.78 3h45 h TRP 104 Ca -0.45 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.43 3h45 h TRP 104 Cb 1.25 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 3h45 h TRP 104 CO 0.53 0.17 -0.08 1.96 -1.28 0.00 0.00 178.44 179.75 3h45 h GLN 105 N 0.00 0.81 -6.54 0.12 4.20 -1.89 -3.43 115.11 108.37 3h45 h GLN 105 Ca -0.00 -0.30 -0.56 0.00 0.06 0.00 0.00 58.65 57.85 3h45 h GLN 105 Cb 0.48 -0.05 0.20 0.00 0.30 0.00 0.00 27.48 28.41 3h45 h GLN 105 CO 0.02 0.92 -0.72 0.45 -0.67 0.00 0.00 178.83 178.83 3h45 n SER 106 N -4.32 -2.33 -0.17 1.46 2.88 -1.07 -4.86 113.62 105.21 3h45 n SER 106 Ca -0.01 0.47 0.03 0.00 -1.33 0.00 0.00 58.87 58.04 3h45 n SER 106 Cb 0.36 -1.12 0.05 0.00 -0.75 0.00 0.00 64.21 62.75 3h45 n SER 106 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h45 n ARG 107 N -0.33 1.03 0.11 -1.46 5.12 -0.14 -4.65 116.66 116.35 3h45 n ARG 107 Ca 0.07 -1.57 0.01 0.00 -1.93 0.00 0.00 57.85 54.44 3h45 n ARG 107 Cb 0.51 -0.95 0.35 0.00 -1.16 0.00 0.00 32.46 31.22 3h45 n ARG 107 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 3h45 h GLN 108 N 0.00 0.24 -0.34 5.56 3.07 -1.94 -2.10 115.11 119.61 3h45 h GLN 108 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.67 3h45 h GLN 108 Cb 1.02 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.55 3h45 h GLN 108 CO 0.00 0.43 0.00 -1.13 0.09 0.00 0.00 178.83 178.22 3h45 n SER 109 N -4.22 1.57 -0.28 0.06 3.41 -1.26 -4.37 113.62 108.54 3h45 n SER 109 Ca -0.01 -2.04 0.15 0.00 -0.26 0.00 0.00 58.87 56.71 3h45 n SER 109 Cb 0.32 -0.23 0.42 0.00 -0.26 0.00 0.00 64.21 64.46 3h45 n SER 109 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3h45 h SER 110 N 1.53 0.58 0.19 4.04 0.87 -1.73 -2.54 113.55 116.49 3h45 h SER 110 Ca 0.00 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3h45 h SER 110 Cb 0.44 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3h45 h SER 110 CO 0.02 0.25 -0.09 -0.65 -0.53 0.00 0.00 176.83 175.83 3h45 h PRO 111 N 0.59 -0.25 -0.86 2.24 0.11 -1.84 -1.48 132.00 130.51 3h45 h PRO 111 Ca 0.49 0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.84 3h45 h PRO 111 Cb 0.94 0.06 -0.14 0.00 0.11 0.00 0.00 31.00 31.97 3h45 h PRO 111 CO -0.23 -0.00 0.18 0.82 -0.21 0.00 0.00 178.00 178.55 3h45 h ILE 112 N -0.47 0.29 0.38 4.15 5.03 -1.80 0.10 117.51 125.20 3h45 h ILE 112 Ca -0.03 -0.06 -0.02 0.00 -0.12 0.00 0.00 64.86 64.64 3h45 h ILE 112 Cb 0.36 0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.26 3h45 h ILE 112 CO 0.04 0.03 -0.18 0.00 -0.68 0.00 0.00 178.15 177.36 3h45 h ALA 113 N 1.78 -0.52 -0.92 1.87 0.00 -1.25 -2.88 119.26 117.36 3h45 h ALA 113 Ca 0.53 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.44 3h45 h ALA 113 Cb 1.05 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 3h45 h ALA 113 CO -0.68 -0.74 0.52 -0.44 0.00 0.00 0.00 179.25 177.92 3h45 h ASP 114 N -0.62 0.69 -0.45 0.00 3.32 0.00 -1.59 116.42 117.77 3h45 h ASP 114 Ca -0.05 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.17 3h45 h ASP 114 Cb 0.46 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.88 3h45 h ASP 114 CO 0.09 0.30 -0.17 -0.61 -1.72 0.00 0.00 179.24 177.13 3h45 h GLN 115 N 0.75 -0.08 -0.94 3.56 5.75 -0.84 -1.42 115.11 121.89 3h45 h GLN 115 Ca 0.49 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 59.04 3h45 h GLN 115 Cb 0.66 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.17 3h45 h GLN 115 CO -0.34 -0.05 0.62 -0.07 -2.65 0.00 0.00 178.83 176.34 3h45 h LEU 116 N -0.08 1.02 -0.54 -2.39 3.38 -1.17 -1.90 115.31 113.63 3h45 h LEU 116 Ca 0.22 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 3h45 h LEU 116 Cb 0.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3h45 h LEU 116 CO -0.50 0.70 -0.07 0.11 0.09 0.00 0.00 178.44 178.77 3h45 h LYS 117 N 1.18 1.01 0.00 1.13 1.57 -1.11 -0.48 116.57 119.87 3h45 h LYS 117 Ca 0.38 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3h45 h LYS 117 Cb 0.02 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3h45 h LYS 117 CO -0.12 1.04 -0.09 0.28 -0.57 0.00 0.00 179.45 179.99 3h45 h VAL 118 N 0.88 0.28 -0.35 0.50 2.07 -0.75 -1.11 116.25 117.78 3h45 h VAL 118 Ca 0.15 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3h45 h VAL 118 Cb 0.63 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3h45 h VAL 118 CO 0.04 0.09 0.00 0.47 0.02 0.00 0.00 177.57 178.19 3h45 n ASP 119 N -3.30 2.31 -1.08 0.57 8.00 -0.77 -4.93 116.55 117.36 3h45 n ASP 119 Ca -0.01 -1.90 -0.12 0.00 0.71 0.00 0.00 54.79 53.48 3h45 n ASP 119 Cb 0.30 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 3h45 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h45 n GLY 120 N 1.23 0.67 0.10 0.44 0.00 -0.42 -4.92 105.19 102.29 3h45 n GLY 120 Ca 0.16 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3h45 n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h45 n HIS 121 N -3.25 0.76 -0.35 1.61 8.25 -0.21 -4.65 115.22 117.37 3h45 n HIS 121 Ca -0.13 0.25 -0.29 0.00 -0.26 0.00 0.00 57.72 57.30 3h45 n HIS 121 Cb 0.48 -0.91 0.27 0.00 1.12 0.00 0.00 29.99 30.95 3h45 n HIS 121 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3h45 n THR 122 N -2.15 0.00 0.00 1.59 -1.04 -1.26 -1.40 114.28 110.02 3h45 n THR 122 Ca 0.04 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3h45 n THR 122 Cb 0.33 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 3h45 n THR 122 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3h45 n GLU 123 N -5.03 0.00 0.25 -2.82 2.13 -1.26 -4.10 120.64 109.82 3h45 n GLU 123 Ca 0.08 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.78 3h45 n GLU 123 Cb 0.56 -0.03 -0.06 0.00 0.27 0.00 0.00 31.44 32.18 3h45 n GLU 123 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 3h45 h MET 124 N 0.00 -0.67 -0.73 5.31 4.05 -1.71 -2.84 114.93 118.34 3h45 h MET 124 Ca 0.00 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3h45 h MET 124 Cb 0.00 0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 3h45 h MET 124 CO 0.00 -0.40 0.47 0.82 0.23 0.00 0.00 176.91 178.03 3h45 h ILE 125 N -1.13 1.19 0.32 1.77 2.04 -1.38 -3.04 117.51 117.28 3h45 h ILE 125 Ca -0.07 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3h45 h ILE 125 Cb 0.58 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3h45 h ILE 125 CO 0.12 0.19 -0.15 -0.74 0.00 0.00 0.00 178.15 177.57 3h45 h HIS 126 N 1.00 -0.39 -0.26 1.37 2.76 -1.70 0.20 115.15 118.13 3h45 h HIS 126 Ca 0.27 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.50 3h45 h HIS 126 Cb -0.09 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 3h45 h HIS 126 CO 0.00 -0.20 0.22 0.93 -1.30 0.00 0.00 177.93 177.57 3h45 h GLU 127 N -0.48 0.00 0.00 5.26 5.08 -1.41 1.01 114.58 124.04 3h45 h GLU 127 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3h45 h GLU 127 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3h45 h GLU 127 CO 0.07 0.00 -0.29 0.87 -1.00 0.00 0.00 179.01 178.66 3h45 h LYS 128 N 0.00 0.00 0.00 2.33 1.57 -1.38 -3.41 116.57 115.68 3h45 h LYS 128 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3h45 h LYS 128 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3h45 h LYS 128 CO -0.00 0.17 -0.59 0.25 -0.57 0.00 0.00 179.45 178.71 3h45 n THR 129 N -4.68 0.10 -0.59 -0.16 -2.24 0.03 -1.90 114.28 104.84 3h45 n THR 129 Ca -0.06 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3h45 n THR 129 Cb 0.20 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3h45 n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h45 n GLY 130 N 1.45 1.51 0.00 3.38 0.00 0.35 -4.70 105.19 107.18 3h45 n GLY 130 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3h45 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h45 n LEU 131 N 0.00 0.00 -4.20 0.99 4.77 -1.25 -1.03 117.00 116.27 3h45 n LEU 131 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 3h45 n LEU 131 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3h45 n LEU 131 CO 0.00 -0.01 -0.43 0.68 -1.33 0.00 0.00 177.39 176.30 3h45 s VAL 132 N 1.93 1.09 -0.15 4.08 -7.23 -1.26 -4.08 120.40 114.77 3h45 s VAL 132 Ca 0.00 -1.64 -0.29 0.00 -1.81 0.00 0.00 61.98 58.24 3h45 s VAL 132 Cb 0.00 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 3h45 s VAL 132 CO 0.00 -0.48 1.24 -0.63 -0.31 0.00 0.00 175.10 174.91 3h45 s ILE 133 N -2.25 4.31 -0.07 -0.62 1.01 -1.26 -4.94 121.20 117.38 3h45 s ILE 133 Ca 0.06 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 62.01 3h45 s ILE 133 Cb -0.04 -4.03 0.10 0.00 0.01 0.00 0.00 42.46 38.50 3h45 s ILE 133 CO 0.01 -0.12 0.85 -0.62 0.00 0.00 0.00 174.94 175.06 3h45 s ASP 134 N 1.84 -0.47 0.07 3.58 2.15 -1.26 -4.96 116.67 117.62 3h45 s ASP 134 Ca 0.54 0.39 0.10 0.00 0.43 0.00 0.00 52.55 54.01 3h45 s ASP 134 Cb -0.22 0.41 0.44 0.00 -0.30 0.00 0.00 42.92 43.26 3h45 s ASP 134 CO 0.15 -0.53 1.30 0.00 -0.17 0.00 0.00 175.17 175.92 3h45 n ALA 135 N 0.52 1.26 -0.22 3.66 0.00 -1.26 -2.74 120.51 121.73 3h45 n ALA 135 Ca -0.13 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 3h45 n ALA 135 Cb 0.59 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 18.98 3h45 n ALA 135 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3h45 h TYR 136 N 0.00 0.61 -3.84 0.00 3.20 -1.83 -3.45 116.97 111.67 3h45 h TYR 136 Ca 0.00 0.03 -0.50 0.00 3.14 0.00 0.00 58.73 61.40 3h45 h TYR 136 Cb 0.11 -0.18 0.05 0.00 1.54 0.00 0.00 36.73 38.24 3h45 h TYR 136 CO 0.00 0.27 0.22 -0.06 -1.64 0.00 0.00 178.16 176.95 3h45 s PHE 137 N -6.10 3.54 0.29 -3.82 0.08 -1.11 -4.75 117.98 106.12 3h45 s PHE 137 Ca -0.13 0.94 0.01 0.00 0.12 0.00 0.00 56.93 57.87 3h45 s PHE 137 Cb 0.16 -2.49 0.53 0.00 -0.57 0.00 0.00 43.02 40.64 3h45 s PHE 137 CO 0.75 -0.49 1.86 0.77 -0.10 0.00 0.00 175.22 178.02 3h45 h SER 138 N -0.01 0.94 0.00 1.36 0.02 -1.66 -3.33 113.55 110.87 3h45 h SER 138 Ca -0.46 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3h45 h SER 138 Cb 1.21 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3h45 h SER 138 CO 0.62 0.54 0.00 0.00 -1.14 0.00 0.00 176.83 176.85 3h45 n ALA 139 N -2.37 0.00 0.19 3.77 0.00 -0.14 -0.04 120.51 121.93 3h45 n ALA 139 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.71 3h45 n ALA 139 Cb 0.29 0.36 0.48 0.00 0.00 0.00 0.00 19.45 20.58 3h45 n ALA 139 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h45 n THR 140 N -2.19 1.13 0.07 0.00 -2.24 -1.25 -1.40 114.28 108.41 3h45 n THR 140 Ca 0.00 0.60 -0.21 0.00 -2.27 0.00 0.00 64.05 62.16 3h45 n THR 140 Cb 0.00 -1.57 -0.15 0.00 -2.10 0.00 0.00 70.33 66.51 3h45 n THR 140 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3h45 h LYS 141 N 0.00 0.38 -0.48 -0.78 1.57 -0.57 -1.63 116.57 115.06 3h45 h LYS 141 Ca 0.00 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 3h45 h LYS 141 Cb 0.08 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3h45 h LYS 141 CO 0.00 1.29 0.30 0.28 -0.57 0.00 0.00 179.45 180.76 3h45 h VAL 142 N -0.21 1.14 0.21 0.50 2.07 0.76 -1.73 116.25 118.99 3h45 h VAL 142 Ca -0.17 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3h45 h VAL 142 Cb 1.77 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3h45 h VAL 142 CO 0.19 0.14 -0.10 -0.09 0.02 0.00 0.00 177.57 177.72 3h45 h ARG 143 N 0.64 -0.27 -1.02 1.57 9.65 -1.49 -2.35 114.38 121.11 3h45 h ARG 143 Ca 0.17 0.02 0.25 0.00 -1.10 0.00 0.00 59.98 59.32 3h45 h ARG 143 Cb -0.04 0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 28.50 3h45 h ARG 143 CO -0.03 -0.16 0.64 2.35 2.80 0.00 0.00 179.97 185.57 3h45 h TRP 144 N -0.32 0.83 -0.16 2.20 7.01 -0.92 0.93 115.95 125.52 3h45 h TRP 144 Ca -0.03 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 3h45 h TRP 144 Cb 0.24 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.06 3h45 h TRP 144 CO -0.05 0.09 -0.08 -0.07 -2.79 0.00 0.00 178.44 175.53 3h45 h LEU 145 N 0.51 0.35 -0.54 0.65 3.38 -0.83 1.00 115.31 119.82 3h45 h LEU 145 Ca 0.61 -0.42 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 3h45 h LEU 145 Cb 1.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3h45 h LEU 145 CO -0.36 0.69 -0.67 -0.07 0.09 0.00 0.00 178.44 178.11 3h45 h LEU 146 N 0.01 0.31 0.12 1.67 3.38 -0.78 -0.86 115.31 119.16 3h45 h LEU 146 Ca 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3h45 h LEU 146 Cb 0.56 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3h45 h LEU 146 CO 0.02 0.89 -0.06 -0.78 0.09 0.00 0.00 178.44 178.61 3h45 h ASP 147 N 0.19 -0.13 -0.49 -0.43 3.58 0.92 -3.32 116.42 116.73 3h45 h ASP 147 Ca -0.02 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.37 3h45 h ASP 147 Cb 1.21 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.30 3h45 h ASP 147 CO 0.11 -0.03 0.00 0.59 -2.88 0.00 0.00 179.24 177.03 3h45 n ASN 148 N -5.12 3.44 -4.37 2.28 3.02 0.34 -4.93 115.26 109.92 3h45 n ASN 148 Ca -0.08 -1.96 -0.33 0.00 -0.03 0.00 0.00 54.58 52.18 3h45 n ASN 148 Cb 0.12 -0.32 -0.14 0.00 -0.61 0.00 0.00 39.78 38.82 3h45 n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h45 s ILE 149 N -1.15 2.97 0.28 2.41 -1.09 -0.33 -5.03 121.20 119.26 3h45 s ILE 149 Ca 0.38 -0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 57.80 3h45 s ILE 149 Cb 0.21 -2.23 -0.11 0.00 -1.58 0.00 0.00 42.46 38.75 3h45 s ILE 149 CO 0.28 0.53 1.54 -1.61 -1.23 0.00 0.00 174.94 174.45 3h45 s GLU 150 N 0.23 4.17 0.00 2.79 2.02 -1.26 -2.48 118.70 124.17 3h45 s GLU 150 Ca -0.09 2.49 0.00 0.00 0.02 0.00 0.00 54.97 57.39 3h45 s GLU 150 Cb -0.16 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.03 3h45 s GLU 150 CO 0.05 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.18 3h45 n GLY 151 N 2.12 1.60 0.00 -1.39 0.00 -1.26 -4.85 105.19 101.41 3h45 n GLY 151 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3h45 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h45 n ALA 152 N 0.47 -0.10 -0.27 4.61 0.00 -1.03 -0.39 120.51 123.79 3h45 n ALA 152 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 3h45 n ALA 152 Cb 0.00 0.31 0.70 0.00 0.00 0.00 0.00 19.45 20.46 3h45 n ALA 152 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3h45 h GLN 153 N 0.00 0.06 -0.01 0.00 5.75 -1.76 0.95 115.11 120.10 3h45 h GLN 153 Ca 0.00 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3h45 h GLN 153 Cb 0.00 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.54 3h45 h GLN 153 CO 0.00 0.04 -0.02 0.93 -2.65 0.00 0.00 178.83 177.13 3h45 h GLU 154 N 0.06 0.03 -0.15 1.69 5.08 -1.70 -2.84 114.58 116.76 3h45 h GLU 154 Ca 0.52 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.81 3h45 h GLU 154 Cb 1.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.19 3h45 h GLU 154 CO -0.05 0.58 -0.13 0.87 -1.00 0.00 0.00 179.01 179.28 3h45 h LYS 155 N -0.52 0.23 -0.32 2.33 1.57 0.11 -2.18 116.57 117.79 3h45 h LYS 155 Ca 0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3h45 h LYS 155 Cb 0.58 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3h45 h LYS 155 CO 0.00 0.37 -0.01 0.00 -0.57 0.00 0.00 179.45 179.24 3h45 h ALA 156 N 1.66 0.43 0.00 3.86 0.00 -0.90 0.50 119.26 124.80 3h45 h ALA 156 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3h45 h ALA 156 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3h45 h ALA 156 CO 0.02 0.20 -0.21 -0.44 0.00 0.00 0.00 179.25 178.82 3h45 h ASP 157 N 0.37 0.00 -0.06 0.00 3.32 -1.29 -2.19 116.42 116.56 3h45 h ASP 157 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3h45 h ASP 157 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3h45 h ASP 157 CO 0.02 0.21 0.00 -3.20 -1.72 0.00 0.00 179.24 174.55 3h45 n ASN 158 N -3.46 0.41 -0.32 6.45 5.15 -0.84 -4.88 115.26 117.78 3h45 n ASN 158 Ca -0.00 -1.78 -0.04 0.00 -0.60 0.00 0.00 54.58 52.16 3h45 n ASN 158 Cb 0.39 -0.04 -0.02 0.00 -0.53 0.00 0.00 39.78 39.58 3h45 n ASN 158 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h45 n GLY 159 N 0.73 0.62 0.01 8.20 0.00 -0.82 -4.92 105.19 109.01 3h45 n GLY 159 Ca 0.08 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3h45 n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h45 n GLU 160 N -1.63 0.02 -4.87 1.61 -0.58 0.12 -4.93 120.64 110.39 3h45 n GLU 160 Ca -0.04 0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.40 3h45 n GLU 160 Cb 0.30 -1.52 -0.14 0.00 -0.57 0.00 0.00 31.44 29.51 3h45 n GLU 160 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3h45 s LEU 161 N -3.10 2.38 -0.10 -4.62 1.43 -1.25 -2.36 118.68 111.07 3h45 s LEU 161 Ca 0.11 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3h45 s LEU 161 Cb 0.17 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 3h45 s LEU 161 CO 0.67 0.28 -0.16 -0.76 0.23 0.00 0.00 176.35 176.61 3h45 s LEU 162 N -1.17 2.57 0.07 1.79 1.43 -0.05 -3.74 118.68 119.58 3h45 s LEU 162 Ca 0.13 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3h45 s LEU 162 Cb -0.10 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3h45 s LEU 162 CO 0.03 0.22 0.09 0.12 0.23 0.00 0.00 176.35 177.04 3h45 s PHE 163 N 0.00 3.23 -0.22 0.29 5.36 -0.01 -1.58 117.98 125.06 3h45 s PHE 163 Ca -0.05 0.10 -0.29 0.00 -0.96 0.00 0.00 56.93 55.73 3h45 s PHE 163 Cb -0.14 -1.64 0.15 0.00 -0.34 0.00 0.00 43.02 41.04 3h45 s PHE 163 CO 0.04 0.53 1.14 0.20 -1.46 0.00 0.00 175.22 175.68 3h45 s GLY 164 N -2.37 -0.10 0.76 13.12 0.00 -0.40 -4.45 107.32 113.88 3h45 s GLY 164 Ca 0.30 2.46 -0.09 0.00 0.00 0.00 0.00 44.72 47.38 3h45 s GLY 164 CO 0.22 1.22 1.10 -0.51 0.00 0.00 0.00 173.10 175.13 3h45 s THR 165 N -0.84 2.14 0.34 0.90 -4.23 -1.26 -1.51 115.64 111.18 3h45 s THR 165 Ca 0.03 -0.14 0.12 0.00 -1.18 0.00 0.00 61.69 60.52 3h45 s THR 165 Cb -0.01 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 71.15 3h45 s THR 165 CO -0.03 -0.00 1.73 0.40 -0.54 0.00 0.00 174.62 176.17 3h45 h ILE 166 N -0.83 0.50 -0.48 2.99 5.03 -1.81 -0.24 117.51 122.68 3h45 h ILE 166 Ca -0.45 -0.18 0.03 0.00 -0.12 0.00 0.00 64.86 64.14 3h45 h ILE 166 Cb 1.32 -0.06 -0.04 0.00 -3.03 0.00 0.00 36.82 35.01 3h45 h ILE 166 CO 0.63 0.09 0.26 -2.24 -0.68 0.00 0.00 178.15 176.21 3h45 h ASP 167 N 0.52 0.39 -0.57 1.72 2.03 -1.92 0.21 116.42 118.80 3h45 h ASP 167 Ca 0.65 0.02 -0.04 0.00 -0.73 0.00 0.00 57.03 56.93 3h45 h ASP 167 Cb 1.34 -0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 39.76 3h45 h ASP 167 CO -0.46 0.28 0.20 -1.28 -1.03 0.00 0.00 179.24 176.95 3h45 h SER 168 N 0.51 0.82 -0.34 4.15 0.87 -1.21 -2.44 113.55 115.90 3h45 h SER 168 Ca 0.20 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 3h45 h SER 168 Cb 0.07 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3h45 h SER 168 CO -0.12 0.79 -0.05 -0.25 -0.53 0.00 0.00 176.83 176.67 3h45 h TRP 169 N 0.80 0.80 -0.10 2.24 2.91 -0.67 -2.01 115.95 119.91 3h45 h TRP 169 Ca 0.19 -0.12 -0.22 0.00 1.13 0.00 0.00 58.89 59.87 3h45 h TRP 169 Cb 0.25 -0.21 0.01 0.00 -0.51 0.00 0.00 29.16 28.69 3h45 h TRP 169 CO 0.01 0.77 -0.81 -0.07 -1.03 0.00 0.00 178.44 177.32 3h45 h LEU 170 N 0.69 0.78 -0.47 0.65 3.38 -0.44 -2.11 115.31 117.79 3h45 h LEU 170 Ca 0.13 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 3h45 h LEU 170 Cb 0.50 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3h45 h LEU 170 CO 0.03 1.32 0.09 0.58 0.09 0.00 0.00 178.44 180.54 3h45 h VAL 171 N 0.43 1.24 -0.89 1.22 2.07 -1.37 0.74 116.25 119.69 3h45 h VAL 171 Ca -0.06 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.61 3h45 h VAL 171 Cb 1.43 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 3h45 h VAL 171 CO 0.16 0.31 0.58 -0.25 0.02 0.00 0.00 177.57 178.39 3h45 h TRP 172 N 0.64 1.09 -0.32 1.57 7.01 -1.36 0.42 115.95 125.00 3h45 h TRP 172 Ca 0.14 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.11 3h45 h TRP 172 Cb 0.37 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 3h45 h TRP 172 CO 0.03 0.64 -0.05 0.87 -2.79 0.00 0.00 178.44 177.14 3h45 h LYS 173 N 1.14 0.61 -0.45 2.65 1.79 -0.97 0.76 116.57 122.09 3h45 h LYS 173 Ca 0.35 -0.22 -0.08 0.00 -2.18 0.00 0.00 60.65 58.53 3h45 h LYS 173 Cb -0.02 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 3h45 h LYS 173 CO -0.11 0.77 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.93 3h45 h LEU 174 N 0.39 0.73 -1.60 2.94 3.38 -0.13 -2.48 115.31 118.55 3h45 h LEU 174 Ca 0.09 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3h45 h LEU 174 Cb 0.53 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3h45 h LEU 174 CO 0.03 0.82 0.00 0.35 0.09 0.00 0.00 178.44 179.73 3h45 n THR 175 N -4.20 0.53 -3.26 0.22 -2.24 0.14 -2.63 114.28 102.83 3h45 n THR 175 Ca 0.02 -0.57 -0.23 0.00 -2.27 0.00 0.00 64.05 61.00 3h45 n THR 175 Cb 0.31 0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.91 3h45 n THR 175 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h45 n ASP 176 N 0.77 -4.66 0.00 3.42 4.64 -0.47 -2.10 116.55 118.16 3h45 n ASP 176 Ca 0.16 -0.37 0.00 0.00 -1.38 0.00 0.00 54.79 53.20 3h45 n ASP 176 Cb 0.39 -3.81 0.00 0.00 -1.04 0.00 0.00 41.12 36.66 3h45 n ASP 176 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h45 n GLY 177 N -1.33 0.74 0.12 0.27 0.00 0.14 -4.97 105.19 100.15 3h45 n GLY 177 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3h45 n GLY 177 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3h45 h GLN 178 N 3.95 0.27 -5.03 1.61 4.20 -1.67 -3.45 115.11 115.00 3h45 h GLN 178 Ca 0.00 -0.47 -0.66 0.00 0.06 0.00 0.00 58.65 57.58 3h45 h GLN 178 Cb 0.00 0.17 -0.28 0.00 0.30 0.00 0.00 27.48 27.67 3h45 h GLN 178 CO 0.00 1.22 -0.74 0.08 -0.67 0.00 0.00 178.83 178.73 3h45 s VAL 179 N -2.45 3.25 -0.53 -0.54 1.01 -1.26 -5.04 120.40 114.84 3h45 s VAL 179 Ca -0.16 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3h45 s VAL 179 Cb 0.02 -2.46 0.14 0.00 0.00 0.00 0.00 36.38 34.08 3h45 s VAL 179 CO 0.80 0.44 0.30 -2.28 0.00 0.00 0.00 175.10 174.37 3h45 s HIS 180 N 1.35 3.37 0.35 5.22 2.46 -1.26 -3.49 115.29 123.29 3h45 s HIS 180 Ca 0.04 -2.92 0.05 0.00 0.47 0.00 0.00 55.06 52.71 3h45 s HIS 180 Cb -0.14 -3.01 -0.02 0.00 -0.13 0.00 0.00 32.58 29.28 3h45 s HIS 180 CO -0.03 -0.82 0.20 1.55 -2.47 0.00 0.00 174.74 173.16 3h45 n VAL 181 N 3.50 0.00 -3.56 0.89 3.14 -1.26 -2.75 118.33 118.28 3h45 n VAL 181 Ca 0.05 -2.27 -0.10 0.00 -2.96 0.00 0.00 64.34 59.06 3h45 n VAL 181 Cb 0.36 0.96 -0.04 0.00 -1.06 0.00 0.00 33.84 34.06 3h45 n VAL 181 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3h45 s THR 182 N -3.13 0.00 0.56 1.55 -1.32 -0.74 -4.01 115.64 108.55 3h45 s THR 182 Ca 0.28 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.72 3h45 s THR 182 Cb 0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 3h45 s THR 182 CO 0.20 0.00 0.84 1.51 -2.21 0.00 0.00 174.62 174.96 3h45 s ASP 183 N -1.48 5.61 0.33 8.08 -4.77 -1.26 0.24 116.67 123.42 3h45 s ASP 183 Ca 0.00 0.56 0.03 0.00 -3.30 0.00 0.00 52.55 49.84 3h45 s ASP 183 Cb -0.01 -1.60 0.62 0.00 -1.09 0.00 0.00 42.92 40.84 3h45 s ASP 183 CO -0.01 -1.00 1.96 1.88 0.70 0.00 0.00 175.17 178.70 3h45 h TYR 184 N -0.04 0.89 0.74 2.11 0.05 -1.43 0.39 116.97 119.68 3h45 h TYR 184 Ca -0.45 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.32 3h45 h TYR 184 Cb 1.26 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.70 3h45 h TYR 184 CO 0.46 0.50 -0.48 1.03 -1.05 0.00 0.00 178.16 178.62 3h45 h SER 185 N 0.90 -1.23 -0.35 3.88 0.87 -1.83 -2.10 113.55 113.70 3h45 h SER 185 Ca 0.32 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 3h45 h SER 185 Cb 0.12 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3h45 h SER 185 CO -0.10 -0.72 0.06 0.78 -0.53 0.00 0.00 176.83 176.32 3h45 h ASN 186 N -1.15 0.55 -1.00 6.23 2.35 -1.83 -3.13 115.58 117.60 3h45 h ASN 186 Ca -0.10 -0.26 0.24 0.00 -0.55 0.00 0.00 56.30 55.63 3h45 h ASN 186 Cb 0.93 -0.15 -0.09 0.00 0.05 0.00 0.00 38.32 39.06 3h45 h ASN 186 CO 0.08 0.66 0.64 0.00 -1.65 0.00 0.00 177.43 177.16 3h45 h ALA 187 N 0.90 2.07 0.00 -0.83 0.00 -0.86 0.98 119.26 121.52 3h45 h ALA 187 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3h45 h ALA 187 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h45 h ALA 187 CO 0.01 -0.45 0.00 -1.13 0.00 0.00 0.00 179.25 177.67 3h45 n SER 188 N -4.65 0.00 -0.69 0.00 3.41 -0.79 -3.10 113.62 107.80 3h45 n SER 188 Ca 0.24 -1.55 0.07 0.00 -0.26 0.00 0.00 58.87 57.37 3h45 n SER 188 Cb 0.76 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.83 3h45 n SER 188 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h45 n ARG 189 N -0.72 1.68 0.01 4.33 5.12 0.34 -4.43 116.66 122.99 3h45 n ARG 189 Ca 0.10 -1.68 0.11 0.00 -1.93 0.00 0.00 57.85 54.45 3h45 n ARG 189 Cb 0.05 -1.31 0.09 0.00 -1.16 0.00 0.00 32.46 30.12 3h45 n ARG 189 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3h45 n THR 190 N 0.85 0.04 -3.74 0.55 5.66 -1.18 -3.77 114.28 112.69 3h45 n THR 190 Ca 0.11 -0.06 -0.27 0.00 -3.05 0.00 0.00 64.05 60.78 3h45 n THR 190 Cb 0.41 0.45 0.06 0.00 -1.55 0.00 0.00 70.33 69.70 3h45 n THR 190 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 3h45 n MET 191 N -1.61 -6.91 -0.24 1.09 1.56 -1.26 -0.97 117.12 108.77 3h45 n MET 191 Ca 0.04 0.73 0.00 0.00 -0.27 0.00 0.00 57.70 58.20 3h45 n MET 191 Cb 0.36 -5.72 0.00 0.00 2.15 0.00 0.00 33.22 30.01 3h45 n MET 191 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3h45 n LEU 192 N -4.87 0.00 -3.92 -0.89 4.77 -1.26 -4.70 117.00 106.13 3h45 n LEU 192 Ca 0.03 -0.57 -0.23 0.00 -0.03 0.00 0.00 56.01 55.20 3h45 n LEU 192 Cb 0.54 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.47 3h45 n LEU 192 CO 0.70 0.34 -0.43 -0.47 -1.33 0.00 0.00 177.39 176.19 3h45 s TYR 193 N 0.00 1.10 -0.79 -1.77 5.04 -1.26 -2.75 117.35 116.91 3h45 s TYR 193 Ca 0.00 -0.41 -0.26 0.00 -2.44 0.00 0.00 57.07 53.96 3h45 s TYR 193 Cb 0.00 -0.92 0.03 0.00 0.35 0.00 0.00 41.96 41.42 3h45 s TYR 193 CO 0.00 -0.30 1.38 1.21 -1.34 0.00 0.00 175.55 176.50 3h45 s ASN 194 N 1.15 6.13 0.00 4.32 3.84 0.23 -4.20 114.94 126.41 3h45 s ASN 194 Ca -0.07 -0.60 0.07 0.00 0.21 0.00 0.00 52.86 52.47 3h45 s ASN 194 Cb -0.14 -2.56 0.37 0.00 -0.55 0.00 0.00 41.25 38.37 3h45 s ASN 194 CO -0.01 -1.84 1.04 2.30 -2.79 0.00 0.00 177.10 175.80 3h45 n ILE 195 N 6.59 0.68 -0.09 -5.21 -5.35 -0.80 -0.62 119.36 114.56 3h45 n ILE 195 Ca 0.12 0.17 -0.19 0.00 -0.27 0.00 0.00 62.75 62.57 3h45 n ILE 195 Cb 0.50 -1.05 -0.12 0.00 -1.74 0.00 0.00 39.64 37.22 3h45 n ILE 195 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3h45 n HIS 196 N -1.22 0.37 1.10 4.28 8.25 -1.26 -4.39 115.22 122.36 3h45 n HIS 196 Ca 0.04 0.08 0.12 0.00 -0.26 0.00 0.00 57.72 57.70 3h45 n HIS 196 Cb 0.05 -1.05 0.15 0.00 1.12 0.00 0.00 29.99 30.26 3h45 n HIS 196 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3h45 n LYS 197 N -3.38 1.50 -3.59 -0.41 5.02 -1.10 -4.99 118.16 111.21 3h45 n LYS 197 Ca -0.42 -1.16 -0.22 0.00 -2.02 0.00 0.00 58.31 54.50 3h45 n LYS 197 Cb 1.00 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 34.58 3h45 n LYS 197 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h45 n LEU 198 N 0.26 -3.59 -3.58 -0.35 7.99 0.21 -5.01 117.00 112.92 3h45 n LEU 198 Ca 0.12 -0.82 -0.12 0.00 -0.01 0.00 0.00 56.01 55.18 3h45 n LEU 198 Cb 0.47 -2.76 -0.04 0.00 -0.11 0.00 0.00 43.42 40.98 3h45 n LEU 198 CO 0.23 0.36 0.24 -0.70 -1.51 0.00 0.00 177.39 176.01 3h45 s GLU 199 N -5.64 1.08 0.14 3.23 2.56 -1.18 -5.00 118.70 113.88 3h45 s GLU 199 Ca 0.17 -0.49 -0.31 0.00 0.00 0.00 0.00 54.97 54.33 3h45 s GLU 199 Cb -0.04 0.49 -0.09 0.00 2.00 0.00 0.00 34.13 36.48 3h45 s GLU 199 CO 0.80 -0.42 1.59 -1.58 -0.56 0.00 0.00 175.26 175.09 3h45 s TRP 200 N -3.26 2.88 -0.19 5.30 0.23 -1.26 -0.60 118.94 122.04 3h45 s TRP 200 Ca -0.01 0.55 -0.29 0.00 -2.03 0.00 0.00 56.10 54.32 3h45 s TRP 200 Cb 0.00 -3.93 -0.02 0.00 0.03 0.00 0.00 33.47 29.55 3h45 s TRP 200 CO -0.08 -3.52 1.43 0.34 0.96 0.00 0.00 176.95 176.08 3h45 s ASP 201 N 1.51 6.69 0.23 2.95 2.15 -1.11 -4.79 116.67 124.30 3h45 s ASP 201 Ca 0.71 1.66 -0.00 0.00 0.43 0.00 0.00 52.55 55.35 3h45 s ASP 201 Cb -0.42 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 39.90 3h45 s ASP 201 CO 0.31 -0.99 1.59 -0.61 -0.17 0.00 0.00 175.17 175.30 3h45 h GLN 202 N 9.33 0.49 0.04 4.34 5.75 -1.91 -2.97 115.11 130.18 3h45 h GLN 202 Ca -0.30 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 57.93 3h45 h GLN 202 Cb 1.13 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.69 3h45 h GLN 202 CO 0.99 0.84 -0.02 0.93 -2.65 0.00 0.00 178.83 178.92 3h45 h GLU 203 N 0.39 -0.05 -0.96 1.69 5.08 -2.00 -2.42 114.58 116.31 3h45 h GLU 203 Ca 0.03 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3h45 h GLU 203 Cb 0.94 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 3h45 h GLU 203 CO 0.08 0.07 0.62 0.82 -1.00 0.00 0.00 179.01 179.61 3h45 h ILE 204 N -0.16 1.08 -0.14 3.13 2.04 -1.96 0.03 117.51 121.54 3h45 h ILE 204 Ca -0.01 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.48 3h45 h ILE 204 Cb 0.14 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 3h45 h ILE 204 CO 0.01 0.20 0.07 -0.07 0.00 0.00 0.00 178.15 178.36 3h45 h LEU 205 N 1.12 0.11 -0.79 1.44 3.38 -1.34 -2.23 115.31 116.99 3h45 h LEU 205 Ca 0.41 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.30 3h45 h LEU 205 Cb 0.17 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3h45 h LEU 205 CO -0.16 0.09 -0.00 0.44 0.09 0.00 0.00 178.44 178.90 3h45 h ASP 206 N 0.16 0.88 -0.07 -0.43 3.32 -0.93 0.57 116.42 119.92 3h45 h ASP 206 Ca 0.06 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.90 3h45 h ASP 206 Cb 0.01 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3h45 h ASP 206 CO -0.04 0.94 0.08 0.25 -1.72 0.00 0.00 179.24 178.76 3h45 h LEU 207 N 0.84 0.00 -3.05 1.55 5.85 -0.57 -0.59 115.31 119.34 3h45 h LEU 207 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3h45 h LEU 207 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3h45 h LEU 207 CO 0.02 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.30 3h45 n LEU 208 N -3.81 2.69 -4.23 2.25 4.77 -0.88 -4.99 117.00 112.79 3h45 n LEU 208 Ca -0.01 -2.72 -0.37 0.00 -0.03 0.00 0.00 56.01 52.88 3h45 n LEU 208 Cb 0.18 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 3h45 n LEU 208 CO 0.27 0.66 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.77 3h45 n ASN 209 N -0.81 -3.36 -4.46 -1.43 5.15 -0.23 -4.86 115.26 105.27 3h45 n ASN 209 Ca 0.13 -1.01 -0.43 0.00 -0.60 0.00 0.00 54.58 52.67 3h45 n ASN 209 Cb 0.59 -2.75 -0.08 0.00 -0.53 0.00 0.00 39.78 37.02 3h45 n ASN 209 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h45 s ILE 210 N -3.27 5.02 0.01 -1.44 1.01 0.04 -5.00 121.20 117.57 3h45 s ILE 210 Ca 0.76 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 3h45 s ILE 210 Cb -0.41 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 37.83 3h45 s ILE 210 CO 0.93 -0.59 1.86 -2.16 0.00 0.00 0.00 174.94 174.98 3h45 s PRO 211 N 2.26 4.16 0.00 2.79 0.04 -1.26 -4.63 135.00 138.36 3h45 s PRO 211 Ca 0.12 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.64 3h45 s PRO 211 Cb -0.19 -4.08 0.01 0.00 0.04 0.00 0.00 34.50 30.28 3h45 s PRO 211 CO 0.12 -0.91 0.12 -1.13 0.04 0.00 0.00 177.00 175.23 3h45 n SER 212 N 7.32 0.00 -0.15 6.66 3.41 -1.26 -1.89 113.62 127.70 3h45 n SER 212 Ca 0.19 -0.20 0.14 0.00 -0.26 0.00 0.00 58.87 58.74 3h45 n SER 212 Cb 0.41 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.90 3h45 n SER 212 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h45 n SER 213 N -0.51 0.64 -0.01 4.04 3.41 -1.26 -3.54 113.62 116.38 3h45 n SER 213 Ca 0.00 -0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 57.87 3h45 n SER 213 Cb 0.00 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 3h45 n SER 213 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3h45 h MET 214 N 0.76 0.01 -7.00 4.33 2.86 -1.46 -3.44 114.93 110.98 3h45 h MET 214 Ca 0.00 -0.02 -0.52 0.00 -2.06 0.00 0.00 59.70 57.11 3h45 h MET 214 Cb 0.41 0.01 0.08 0.00 0.06 0.00 0.00 31.60 32.16 3h45 h MET 214 CO 0.00 0.57 0.53 -0.51 1.06 0.00 0.00 176.91 178.56 3h45 s LEU 215 N -6.19 4.02 0.41 1.22 1.43 -1.23 -0.83 118.68 117.51 3h45 s LEU 215 Ca -0.05 2.45 0.05 0.00 -1.03 0.00 0.00 54.13 55.55 3h45 s LEU 215 Cb 0.08 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 42.11 3h45 s LEU 215 CO 0.82 -1.03 0.58 -2.16 0.23 0.00 0.00 176.35 174.79 3h45 s PRO 216 N -2.66 2.94 0.10 1.29 0.04 -1.26 -4.96 135.00 130.50 3h45 s PRO 216 Ca 0.64 -0.96 -0.31 0.00 0.04 0.00 0.00 61.00 60.42 3h45 s PRO 216 Cb -0.32 -2.71 -0.07 0.00 0.04 0.00 0.00 34.50 31.44 3h45 s PRO 216 CO 0.39 -0.20 1.25 -1.21 0.04 0.00 0.00 177.00 177.27 3h45 s GLU 217 N -4.37 4.41 -0.17 4.56 2.02 -1.11 -4.82 118.70 119.23 3h45 s GLU 217 Ca 0.50 1.88 -0.20 0.00 0.02 0.00 0.00 54.97 57.17 3h45 s GLU 217 Cb -0.10 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 3h45 s GLU 217 CO 0.34 -0.27 0.56 0.08 0.02 0.00 0.00 175.26 175.99 3h45 s VAL 218 N 0.82 5.09 0.09 2.63 1.01 -1.26 -1.79 120.40 126.99 3h45 s VAL 218 Ca 0.59 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.64 3h45 s VAL 218 Cb -0.32 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 3h45 s VAL 218 CO 0.31 0.20 0.01 0.29 0.00 0.00 0.00 175.10 175.91 3h45 n LYS 219 N 4.51 1.36 -1.54 2.72 5.02 0.14 -4.94 118.16 125.43 3h45 n LYS 219 Ca -0.04 -0.71 -0.22 0.00 -2.02 0.00 0.00 58.31 55.33 3h45 n LYS 219 Cb 0.51 0.27 0.15 0.00 -0.02 0.00 0.00 35.03 35.94 3h45 n LYS 219 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3h45 n SER 220 N -1.46 0.22 -0.35 4.39 3.41 -1.26 -1.27 113.62 117.29 3h45 n SER 220 Ca -0.03 -1.44 0.13 0.00 -0.26 0.00 0.00 58.87 57.27 3h45 n SER 220 Cb 0.12 -0.73 0.30 0.00 -0.26 0.00 0.00 64.21 63.65 3h45 n SER 220 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3h45 n ASN 221 N -3.55 1.37 -3.49 4.04 3.02 0.12 -4.57 115.26 112.21 3h45 n ASN 221 Ca 0.13 -1.14 -0.21 0.00 -0.03 0.00 0.00 54.58 53.32 3h45 n ASN 221 Cb 0.44 0.19 -0.13 0.00 -0.61 0.00 0.00 39.78 39.67 3h45 n ASN 221 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3h45 s SER 222 N -2.42 2.07 0.00 6.41 0.15 -1.25 -2.62 113.70 116.04 3h45 s SER 222 Ca 0.25 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.24 3h45 s SER 222 Cb 0.19 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 3h45 s SER 222 CO 0.50 -0.37 0.00 -1.84 1.20 0.00 0.00 173.24 172.73 3h45 n GLU 223 N 5.30 0.00 -2.07 5.44 0.28 -0.87 -4.87 120.64 123.85 3h45 n GLU 223 Ca -0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.52 3h45 n GLU 223 Cb 0.47 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.31 3h45 n GLU 223 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3h45 s VAL 224 N -2.00 3.56 0.09 3.84 1.01 -1.26 -4.13 120.40 121.50 3h45 s VAL 224 Ca 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 3h45 s VAL 224 Cb 0.00 -3.76 -0.26 0.00 0.00 0.00 0.00 36.38 32.36 3h45 s VAL 224 CO 0.00 -0.50 1.19 1.88 0.00 0.00 0.00 175.10 177.67 3h45 h TYR 225 N 12.49 0.48 0.00 5.22 -1.99 -0.82 -3.49 116.97 128.87 3h45 h TYR 225 Ca -0.32 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.08 3h45 h TYR 225 Cb 1.16 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.86 3h45 h TYR 225 CO 0.96 1.23 0.00 0.41 -0.00 0.00 0.00 178.16 180.76 3h45 n GLY 226 N 1.39 -0.67 3.24 3.88 0.00 -1.24 -4.96 105.19 106.83 3h45 n GLY 226 Ca -0.07 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 3h45 n GLY 226 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h45 s HIS 227 N -3.00 1.38 0.81 1.61 3.76 -1.26 -1.90 115.29 116.69 3h45 s HIS 227 Ca 0.00 -0.58 -0.12 0.00 -0.15 0.00 0.00 55.06 54.21 3h45 s HIS 227 Cb 0.00 -0.72 0.08 0.00 1.11 0.00 0.00 32.58 33.05 3h45 s HIS 227 CO 0.00 0.14 1.16 0.95 -0.85 0.00 0.00 174.74 176.14 3h45 s THR 228 N -2.29 2.23 0.00 1.30 -4.23 0.11 -4.36 115.64 108.39 3h45 s THR 228 Ca 0.10 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 3h45 s THR 228 Cb -0.04 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3h45 s THR 228 CO 0.03 -0.10 0.00 0.54 -0.54 0.00 0.00 174.62 174.55 3h45 n ARG 229 N -3.36 0.00 -0.35 3.99 1.74 -1.08 -4.70 116.66 112.90 3h45 n ARG 229 Ca 0.08 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.04 3h45 n ARG 229 Cb 0.60 -0.03 -0.00 0.00 -1.02 0.00 0.00 32.46 32.01 3h45 n ARG 229 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3h45 n SER 230 N -2.42 -0.49 -0.16 0.55 3.41 -1.26 -4.61 113.62 108.64 3h45 n SER 230 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3h45 n SER 230 Cb 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3h45 n SER 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h45 n TYR 231 N -0.11 0.00 -0.02 7.33 0.18 -1.26 -0.73 117.16 122.55 3h45 n TYR 231 Ca 0.04 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.85 3h45 n TYR 231 Cb 0.08 -0.01 -0.10 0.00 -0.38 0.00 0.00 39.34 38.93 3h45 n TYR 231 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 3h45 n GLU 232 N -0.22 0.87 -1.43 -3.48 4.07 -1.26 -4.48 120.64 114.70 3h45 n GLU 232 Ca 0.00 -0.09 -0.18 0.00 -0.06 0.00 0.00 57.16 56.83 3h45 n GLU 232 Cb 0.02 -1.31 0.10 0.00 -0.06 0.00 0.00 31.44 30.19 3h45 n GLU 232 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3h45 n PHE 233 N -2.10 2.17 0.00 4.31 3.72 0.09 -4.79 117.46 120.87 3h45 n PHE 233 Ca -0.07 -2.15 0.00 0.00 -0.05 0.00 0.00 57.45 55.18 3h45 n PHE 233 Cb 0.50 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 3h45 n PHE 233 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3h45 n TYR 234 N -0.91 0.00 -2.03 1.38 0.18 -1.22 -4.52 117.16 110.05 3h45 n TYR 234 Ca 0.43 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.80 3h45 n TYR 234 Cb 0.92 -0.25 -0.02 0.00 -0.38 0.00 0.00 39.34 39.60 3h45 n TYR 234 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 3h45 s GLY 235 N -2.44 2.46 0.00 -7.48 0.00 -1.26 -4.73 107.32 93.87 3h45 s GLY 235 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.03 3h45 s GLY 235 CO 0.00 2.21 0.00 -1.14 0.00 0.00 0.00 173.10 174.17 3h45 n SER 236 N 2.05 0.00 0.00 1.64 3.41 -1.26 -3.67 113.62 115.79 3h45 n SER 236 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3h45 n SER 236 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3h45 n SER 236 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h45 n GLU 237 N 0.00 0.00 -1.69 4.33 1.02 -1.26 -5.08 120.64 117.95 3h45 n GLU 237 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 3h45 n GLU 237 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3h45 n GLU 237 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3h45 n VAL 238 N 0.00 2.10 -3.37 2.62 0.31 -1.24 -4.49 118.33 114.26 3h45 n VAL 238 Ca 0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 3h45 n VAL 238 Cb 0.00 -1.54 -0.06 0.00 -0.91 0.00 0.00 33.84 31.33 3h45 n VAL 238 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3h45 s PRO 239 N -1.93 3.95 -0.43 5.55 0.04 -1.26 -0.71 135.00 140.20 3h45 s PRO 239 Ca 0.57 0.45 -0.12 0.00 0.04 0.00 0.00 61.00 61.94 3h45 s PRO 239 Cb -0.56 -2.87 0.06 0.00 0.04 0.00 0.00 34.50 31.17 3h45 s PRO 239 CO 0.61 0.44 0.30 0.42 0.04 0.00 0.00 177.00 178.82 3h45 s ILE 240 N -1.54 4.75 -0.05 0.56 1.01 -0.80 0.03 121.20 125.16 3h45 s ILE 240 Ca 0.40 -1.11 0.07 0.00 0.00 0.00 0.00 60.65 60.01 3h45 s ILE 240 Cb -0.14 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 38.63 3h45 s ILE 240 CO 0.19 -0.46 0.97 0.00 0.00 0.00 0.00 174.94 175.65 3h45 n ALA 241 N 5.06 1.93 -3.72 9.38 0.00 -0.67 -0.06 120.51 132.43 3h45 n ALA 241 Ca -0.11 -1.50 -0.18 0.00 0.00 0.00 0.00 53.44 51.64 3h45 n ALA 241 Cb 0.44 -0.25 -0.17 0.00 0.00 0.00 0.00 19.45 19.47 3h45 n ALA 241 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h45 s GLY 242 N -1.51 0.23 -0.13 0.00 0.00 -1.05 -2.04 107.32 102.81 3h45 s GLY 242 Ca 0.11 0.17 -0.08 0.00 0.00 0.00 0.00 44.72 44.93 3h45 s GLY 242 CO 0.01 0.99 0.31 -0.29 0.00 0.00 0.00 173.10 174.13 3h45 s MET 243 N 1.59 0.30 0.05 2.90 1.75 -1.08 0.11 119.30 124.93 3h45 s MET 243 Ca -0.02 0.60 -0.27 0.00 -1.25 0.00 0.00 55.69 54.75 3h45 s MET 243 Cb -0.13 -0.03 0.08 0.00 2.84 0.00 0.00 34.83 37.59 3h45 s MET 243 CO -0.03 -0.14 0.73 0.00 -0.65 0.00 0.00 175.02 174.93 3h45 s ALA 244 N 1.10 -1.72 0.46 4.11 0.00 -0.81 -4.47 121.76 120.43 3h45 s ALA 244 Ca -0.08 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 3h45 s ALA 244 Cb -0.08 0.47 -0.08 0.00 0.00 0.00 0.00 23.12 23.43 3h45 s ALA 244 CO -0.08 -0.64 1.10 0.20 0.00 0.00 0.00 175.76 176.34 3h45 s GLY 245 N -2.28 2.70 0.27 0.00 0.00 -1.26 -2.99 107.32 103.76 3h45 s GLY 245 Ca -0.00 0.79 -0.01 0.00 0.00 0.00 0.00 44.72 45.50 3h45 s GLY 245 CO -0.07 1.20 1.66 1.29 0.00 0.00 0.00 173.10 177.19 3h45 h ASP 246 N 1.98 0.01 -0.29 1.64 3.04 -1.00 0.16 116.42 121.96 3h45 h ASP 246 Ca -0.49 0.17 -0.12 0.00 -3.24 0.00 0.00 57.03 53.35 3h45 h ASP 246 Cb 1.23 0.24 -0.01 0.00 -1.04 0.00 0.00 39.33 39.75 3h45 h ASP 246 CO 0.60 -0.10 -0.25 1.56 -2.04 0.00 0.00 179.24 179.02 3h45 h GLN 247 N 0.24 0.78 -0.27 4.15 1.08 -1.91 0.60 115.11 119.78 3h45 h GLN 247 Ca 0.49 -0.33 -0.17 0.00 -1.45 0.00 0.00 58.65 57.19 3h45 h GLN 247 Cb 0.92 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3h45 h GLN 247 CO -0.59 0.94 -0.50 1.96 -0.95 0.00 0.00 178.83 179.69 3h45 h GLN 248 N 0.67 0.82 -0.45 1.46 7.50 -1.59 -2.03 115.11 121.50 3h45 h GLN 248 Ca 0.09 -0.52 -0.02 0.00 0.50 0.00 0.00 58.65 58.70 3h45 h GLN 248 Cb 0.77 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.33 3h45 h GLN 248 CO 0.06 1.15 0.18 0.00 -1.50 0.00 0.00 178.83 178.72 3h45 h ALA 249 N 0.67 1.48 0.00 3.87 0.00 -0.51 0.12 119.26 124.89 3h45 h ALA 249 Ca 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3h45 h ALA 249 Cb 1.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3h45 h ALA 249 CO 0.11 0.40 -0.20 0.00 0.00 0.00 0.00 179.25 179.57 3h45 h ALA 250 N 1.57 1.02 -0.08 0.00 0.00 -0.67 0.88 119.26 121.99 3h45 h ALA 250 Ca 0.16 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3h45 h ALA 250 Cb 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3h45 h ALA 250 CO -0.02 0.24 -0.49 1.25 0.00 0.00 0.00 179.25 180.24 3h45 h LEU 251 N 0.00 0.57 -0.09 0.00 5.85 -0.11 -1.91 115.31 119.61 3h45 h LEU 251 Ca -0.00 -0.67 -0.02 0.00 0.84 0.00 0.00 57.88 58.03 3h45 h LEU 251 Cb 0.72 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3h45 h LEU 251 CO 0.03 1.14 -0.02 0.15 -0.34 0.00 0.00 178.44 179.40 3h45 h PHE 252 N 0.03 0.20 -0.97 1.25 3.57 -0.71 -2.41 116.94 117.89 3h45 h PHE 252 Ca -0.04 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.57 3h45 h PHE 252 Cb 1.15 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.75 3h45 h PHE 252 CO 0.12 0.48 0.61 0.78 -2.23 0.00 0.00 178.31 178.07 3h45 h GLY 253 N -0.14 1.53 1.21 2.40 0.00 -0.87 0.67 103.07 107.87 3h45 h GLY 253 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3h45 h GLY 253 CO 0.01 0.07 0.00 -1.06 0.00 0.00 0.00 176.54 175.56 3h45 n GLN 254 N -4.64 0.58 -3.67 4.80 1.13 -0.72 -4.78 117.38 110.09 3h45 n GLN 254 Ca 0.20 0.03 -0.24 0.00 -1.94 0.00 0.00 57.00 55.05 3h45 n GLN 254 Cb 0.46 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.37 3h45 n GLN 254 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3h45 n MET 255 N -1.11 -6.68 -2.41 -1.09 2.81 0.23 -4.89 117.12 103.98 3h45 n MET 255 Ca 0.15 0.74 -0.42 0.00 -1.81 0.00 0.00 57.70 56.37 3h45 n MET 255 Cb 0.12 -5.69 0.01 0.00 -0.71 0.00 0.00 33.22 26.95 3h45 n MET 255 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h45 n ALA 256 N -4.67 5.82 0.06 3.04 0.00 -0.94 -4.68 120.51 119.14 3h45 n ALA 256 Ca -0.08 -4.39 -0.09 0.00 0.00 0.00 0.00 53.44 48.88 3h45 n ALA 256 Cb 0.59 -2.70 -0.13 0.00 0.00 0.00 0.00 19.45 17.21 3h45 n ALA 256 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3h45 h PHE 257 N 5.18 0.08 -3.38 0.00 0.04 -1.90 -3.45 116.94 113.52 3h45 h PHE 257 Ca 0.46 -0.06 -0.55 0.00 2.80 0.00 0.00 57.97 60.61 3h45 h PHE 257 Cb 0.50 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 3h45 h PHE 257 CO 1.31 1.05 0.07 -1.21 -0.60 0.00 0.00 178.31 178.94 3h45 s GLU 258 N -2.69 4.39 0.27 1.51 0.41 -1.26 -4.97 118.70 116.36 3h45 s GLU 258 Ca -0.01 0.94 -0.28 0.00 -0.41 0.00 0.00 54.97 55.21 3h45 s GLU 258 Cb 0.09 -3.28 -0.15 0.00 -1.78 0.00 0.00 34.13 29.01 3h45 s GLU 258 CO 0.83 0.53 0.82 1.17 -0.49 0.00 0.00 175.26 178.12 3h45 n LYS 259 N 1.97 0.87 0.00 1.61 4.81 -1.26 -1.98 118.16 124.18 3h45 n LYS 259 Ca -0.07 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 3h45 n LYS 259 Cb 0.50 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 34.00 3h45 n LYS 259 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h45 n GLY 260 N 1.50 2.72 3.73 3.14 0.00 0.58 -5.00 105.19 111.86 3h45 n GLY 260 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3h45 n GLY 260 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h45 s MET 261 N -0.60 4.52 0.03 1.61 -1.94 -0.84 -4.77 119.30 117.32 3h45 s MET 261 Ca 0.00 1.72 0.05 0.00 -1.71 0.00 0.00 55.69 55.74 3h45 s MET 261 Cb 0.00 -3.32 -0.02 0.00 2.01 0.00 0.00 34.83 33.50 3h45 s MET 261 CO 0.00 -0.07 -0.14 -1.50 -0.01 0.00 0.00 175.02 173.31 3h45 s ILE 262 N 0.37 1.06 0.05 2.53 2.07 -1.26 -1.04 121.20 124.98 3h45 s ILE 262 Ca 0.53 -0.88 -0.02 0.00 -1.41 0.00 0.00 60.65 58.87 3h45 s ILE 262 Cb -0.29 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.32 3h45 s ILE 262 CO 0.32 0.07 0.01 -1.59 -1.91 0.00 0.00 174.94 171.84 3h45 s LYS 263 N -0.93 0.60 -0.06 3.50 0.00 -0.40 -2.11 119.74 120.33 3h45 s LYS 263 Ca 0.02 -1.05 0.03 0.00 0.00 0.00 0.00 55.97 54.97 3h45 s LYS 263 Cb -0.07 0.22 0.01 0.00 0.00 0.00 0.00 37.83 37.98 3h45 s LYS 263 CO 0.01 -0.13 -0.15 1.21 0.00 0.00 0.00 175.35 176.29 3h45 s ASN 264 N -2.62 2.03 -0.40 0.03 2.47 0.11 -0.43 114.94 116.13 3h45 s ASN 264 Ca 0.02 -0.34 -0.04 0.00 0.42 0.00 0.00 52.86 52.92 3h45 s ASN 264 Cb 0.04 -0.80 0.10 0.00 -1.45 0.00 0.00 41.25 39.14 3h45 s ASN 264 CO -0.08 0.09 0.19 -0.89 -3.72 0.00 0.00 177.10 172.69 3h45 s THR 265 N 0.41 3.44 -0.61 -5.21 2.01 -0.96 -2.20 115.64 112.52 3h45 s THR 265 Ca -0.11 -1.84 -0.28 0.00 0.31 0.00 0.00 61.69 59.77 3h45 s THR 265 Cb -0.14 -3.26 0.03 0.00 0.01 0.00 0.00 72.50 69.14 3h45 s THR 265 CO 0.04 -0.58 1.21 -0.31 -0.69 0.00 0.00 174.62 174.28 3h45 s TYR 266 N 1.21 2.55 0.00 4.92 2.02 -0.34 -2.96 117.35 124.75 3h45 s TYR 266 Ca 0.05 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.08 3h45 s TYR 266 Cb -0.23 -4.53 0.00 0.00 -0.40 0.00 0.00 41.96 36.80 3h45 s TYR 266 CO -0.03 -1.67 0.00 0.41 -1.57 0.00 0.00 175.55 172.69 3h45 n GLY 267 N 5.12 5.45 0.24 0.71 0.00 -1.26 -2.29 105.19 113.17 3h45 n GLY 267 Ca 0.07 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.30 3h45 n GLY 267 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h45 h THR 268 N 0.00 0.71 -0.16 2.61 2.02 -1.92 0.26 112.91 116.43 3h45 h THR 268 Ca 0.00 -0.13 -0.69 0.00 0.77 0.00 0.00 66.41 66.36 3h45 h THR 268 Cb 0.00 0.29 -0.13 0.00 -1.74 0.00 0.00 68.15 66.57 3h45 h THR 268 CO 0.00 0.07 -0.50 -0.83 0.37 0.00 0.00 175.52 174.63 3h45 s GLY 269 N -3.24 3.11 -0.03 2.16 0.00 -1.26 -0.60 107.32 107.45 3h45 s GLY 269 Ca -0.13 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.56 3h45 s GLY 269 CO 0.75 -2.22 -0.17 0.00 0.00 0.00 0.00 173.10 171.46 3h45 s ALA 270 N -2.90 1.52 -0.15 3.20 0.00 0.90 -4.56 121.76 119.77 3h45 s ALA 270 Ca 0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 3h45 s ALA 270 Cb 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 23.12 22.70 3h45 s ALA 270 CO 0.01 0.30 0.03 -0.06 0.00 0.00 0.00 175.76 176.04 3h45 s PHE 271 N -0.10 0.85 -0.10 0.00 0.08 -1.16 -1.02 117.98 116.54 3h45 s PHE 271 Ca -0.01 -0.58 -0.26 0.00 0.12 0.00 0.00 56.93 56.21 3h45 s PHE 271 Cb -0.10 -0.93 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 3h45 s PHE 271 CO 0.01 -0.50 0.83 0.42 -0.10 0.00 0.00 175.22 175.88 3h45 s ILE 272 N 1.92 4.93 -0.04 0.64 -1.09 -0.77 -2.26 121.20 124.52 3h45 s ILE 272 Ca 0.01 1.68 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 3h45 s ILE 272 Cb -0.15 -4.15 0.03 0.00 -1.58 0.00 0.00 42.46 36.60 3h45 s ILE 272 CO -0.07 0.13 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.07 3h45 s VAL 273 N 1.46 0.31 -0.05 2.92 1.01 0.43 -0.23 120.40 126.25 3h45 s VAL 273 Ca 0.41 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.49 3h45 s VAL 273 Cb -0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 3h45 s VAL 273 CO 0.18 0.19 -0.24 -0.32 0.00 0.00 0.00 175.10 174.91 3h45 s MET 274 N 1.15 2.41 -0.03 2.72 1.75 -0.41 -1.28 119.30 125.61 3h45 s MET 274 Ca -0.08 -0.88 -0.30 0.00 -1.25 0.00 0.00 55.69 53.18 3h45 s MET 274 Cb -0.14 -2.16 -0.03 0.00 2.84 0.00 0.00 34.83 35.35 3h45 s MET 274 CO -0.02 0.47 1.02 1.21 -0.65 0.00 0.00 175.02 177.05 3h45 s ASN 275 N -0.38 7.29 -0.14 1.11 3.84 -0.21 -0.31 114.94 126.14 3h45 s ASN 275 Ca 0.03 1.65 0.19 0.00 0.21 0.00 0.00 52.86 54.94 3h45 s ASN 275 Cb -0.12 -2.57 -0.27 0.00 -0.55 0.00 0.00 41.25 37.74 3h45 s ASN 275 CO 0.02 -0.35 0.20 0.35 -2.79 0.00 0.00 177.10 174.52 3h45 n THR 276 N 4.15 0.93 0.00 -5.21 -2.24 0.26 -0.31 114.28 111.86 3h45 n THR 276 Ca 0.07 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3h45 n THR 276 Cb 0.50 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3h45 n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h45 n GLY 277 N 1.62 0.13 0.90 3.38 0.00 -1.21 -4.63 105.19 105.39 3h45 n GLY 277 Ca -0.23 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.04 3h45 n GLY 277 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h45 n GLU 278 N 0.00 2.24 -5.00 1.61 1.02 -1.26 0.05 120.64 119.29 3h45 n GLU 278 Ca 0.00 -1.81 -0.29 0.00 -0.02 0.00 0.00 57.16 55.04 3h45 n GLU 278 Cb 0.00 -1.47 -0.17 0.00 -0.02 0.00 0.00 31.44 29.78 3h45 n GLU 278 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3h45 s GLU 279 N -1.93 2.42 0.84 3.49 0.41 -1.26 -4.87 118.70 117.80 3h45 s GLU 279 Ca 0.31 -0.72 -0.13 0.00 -0.41 0.00 0.00 54.97 54.02 3h45 s GLU 279 Cb 0.20 -1.92 0.21 0.00 -1.78 0.00 0.00 34.13 30.84 3h45 s GLU 279 CO 0.31 0.18 0.47 -2.30 -0.49 0.00 0.00 175.26 173.42 3h45 n PRO 280 N 3.46 -2.94 -4.36 0.39 -0.02 -1.26 -4.81 135.00 125.45 3h45 n PRO 280 Ca -0.20 -0.78 -0.30 0.00 -2.02 0.00 0.00 63.50 60.21 3h45 n PRO 280 Cb 0.53 -1.12 -0.12 0.00 -0.02 0.00 0.00 33.50 32.77 3h45 n PRO 280 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3h45 s GLN 281 N -3.84 1.83 0.10 -0.52 -0.21 -1.26 -5.01 119.66 110.75 3h45 s GLN 281 Ca 0.36 -1.15 -0.16 0.00 0.02 0.00 0.00 55.36 54.43 3h45 s GLN 281 Cb -0.06 -2.13 -0.07 0.00 1.00 0.00 0.00 33.01 31.75 3h45 s GLN 281 CO 0.30 0.49 1.49 -0.07 -2.12 0.00 0.00 175.29 175.38 3h45 h LEU 282 N 3.86 0.61 0.00 2.90 3.38 -1.94 -3.43 115.31 120.68 3h45 h LEU 282 Ca -0.50 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3h45 h LEU 282 Cb 1.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3h45 h LEU 282 CO 0.46 0.84 0.00 -1.20 0.09 0.00 0.00 178.44 178.63 3h45 n SER 283 N -4.46 0.00 0.00 -0.43 7.64 -1.26 -4.84 113.62 110.28 3h45 n SER 283 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3h45 n SER 283 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 3h45 n SER 283 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3h45 n ASP 284 N 0.00 0.00 0.00 6.43 10.43 -1.26 -4.89 116.55 127.26 3h45 n ASP 284 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3h45 n ASP 284 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3h45 n ASP 284 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3h45 n ASN 285 N 9.08 0.00 0.00 -2.24 6.94 -1.26 -2.17 115.26 125.62 3h45 n ASN 285 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3h45 n ASN 285 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3h45 n ASN 285 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3h45 n ASP 286 N 0.00 0.08 0.00 0.53 10.43 -1.26 -5.09 116.55 121.24 3h45 n ASP 286 Ca 0.00 -0.36 0.00 0.00 2.57 0.00 0.00 54.79 57.00 3h45 n ASP 286 Cb 0.00 0.32 0.00 0.00 1.84 0.00 0.00 41.12 43.28 3h45 n ASP 286 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3h45 n LEU 287 N -0.32 0.00 -4.11 0.64 4.77 -0.92 -4.46 117.00 112.60 3h45 n LEU 287 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 3h45 n LEU 287 Cb 0.03 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.00 3h45 n LEU 287 CO 0.00 0.00 -0.44 -0.76 -1.33 0.00 0.00 177.39 174.86 3h45 s LEU 288 N 0.00 2.21 -0.15 2.23 1.43 -1.04 -4.87 118.68 118.50 3h45 s LEU 288 Ca 0.00 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3h45 s LEU 288 Cb 0.00 -0.43 -0.02 0.00 0.03 0.00 0.00 46.19 45.77 3h45 s LEU 288 CO 0.00 -0.06 -0.10 -0.89 0.23 0.00 0.00 176.35 175.53 3h45 s THR 289 N -1.04 3.31 0.28 5.49 2.01 -0.20 -1.76 115.64 123.73 3h45 s THR 289 Ca -0.02 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.27 3h45 s THR 289 Cb -0.08 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 70.02 3h45 s THR 289 CO 0.01 0.51 0.57 0.28 -0.69 0.00 0.00 174.62 175.30 3h45 s THR 290 N 0.45 0.00 -0.46 -0.82 -1.32 -1.08 -4.16 115.64 108.26 3h45 s THR 290 Ca -0.08 -1.28 -0.25 0.00 -1.21 0.00 0.00 61.69 58.87 3h45 s THR 290 Cb -0.15 -2.29 0.03 0.00 -1.51 0.00 0.00 72.50 68.57 3h45 s THR 290 CO 0.04 0.00 0.88 -0.63 -2.21 0.00 0.00 174.62 172.70 3h45 s ILE 291 N -3.67 4.53 0.03 5.08 1.01 -1.26 -0.06 121.20 126.86 3h45 s ILE 291 Ca 0.20 0.63 -0.31 0.00 0.00 0.00 0.00 60.65 61.17 3h45 s ILE 291 Cb -0.02 -4.40 -0.17 0.00 0.01 0.00 0.00 42.46 37.87 3h45 s ILE 291 CO 0.10 -0.81 1.31 1.23 0.00 0.00 0.00 174.94 176.78 3h45 h GLY 292 N 10.44 -1.17 -3.59 6.18 0.00 -1.44 -3.37 103.07 110.12 3h45 h GLY 292 Ca -0.24 0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.55 3h45 h GLY 292 CO 1.01 -0.43 0.34 -2.52 0.00 0.00 0.00 176.54 174.94 3h45 s TYR 293 N -5.23 -0.49 -0.25 5.60 -0.85 -1.02 -4.65 117.35 110.47 3h45 s TYR 293 Ca -0.16 0.54 0.01 0.00 -0.52 0.00 0.00 57.07 56.94 3h45 s TYR 293 Cb 0.02 0.50 0.06 0.00 0.38 0.00 0.00 41.96 42.92 3h45 s TYR 293 CO 0.49 -0.62 -0.05 0.20 -1.52 0.00 0.00 175.55 174.05 3h45 s GLY 294 N -2.02 1.40 0.13 5.49 0.00 -1.26 -1.07 107.32 109.98 3h45 s GLY 294 Ca -0.01 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.16 3h45 s GLY 294 CO -0.04 0.90 0.06 -1.50 0.00 0.00 0.00 173.10 172.52 3h45 s ILE 295 N 1.31 0.10 -1.64 0.90 2.07 -1.09 -0.70 121.20 122.16 3h45 s ILE 295 Ca -0.04 -1.90 -0.12 0.00 -1.41 0.00 0.00 60.65 57.17 3h45 s ILE 295 Cb -0.19 -2.03 0.11 0.00 0.13 0.00 0.00 42.46 40.48 3h45 s ILE 295 CO -0.07 -0.47 0.56 0.59 -1.91 0.00 0.00 174.94 173.64 3h45 n ASN 296 N -0.09 -1.77 0.00 4.50 3.02 -1.26 -1.47 115.26 118.18 3h45 n ASN 296 Ca -0.06 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3h45 n ASN 296 Cb 0.64 -2.49 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 3h45 n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h45 n GLY 297 N -1.66 2.12 3.95 7.41 0.00 -1.26 -4.97 105.19 110.79 3h45 n GLY 297 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 3h45 n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h45 s LYS 298 N 0.00 2.40 -0.10 1.61 1.02 -0.54 -5.13 119.74 119.00 3h45 s LYS 298 Ca 0.00 -1.70 -0.01 0.00 0.02 0.00 0.00 55.97 54.28 3h45 s LYS 298 Cb 0.00 -2.41 0.03 0.00 -0.52 0.00 0.00 37.83 34.93 3h45 s LYS 298 CO 0.00 -0.55 -0.01 0.08 -0.92 0.00 0.00 175.35 173.95 3h45 s VAL 299 N -2.62 0.54 -0.17 3.17 1.01 -1.26 -2.69 120.40 118.39 3h45 s VAL 299 Ca 0.49 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 3h45 s VAL 299 Cb -0.04 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3h45 s VAL 299 CO 0.30 0.21 0.11 -0.31 0.00 0.00 0.00 175.10 175.41 3h45 s TYR 300 N 1.90 3.41 0.40 5.22 2.02 -0.24 -4.33 117.35 125.73 3h45 s TYR 300 Ca 0.04 0.32 0.08 0.00 -0.37 0.00 0.00 57.07 57.14 3h45 s TYR 300 Cb -0.13 -2.06 -0.00 0.00 -0.40 0.00 0.00 41.96 39.37 3h45 s TYR 300 CO -0.06 0.40 0.48 0.71 -1.57 0.00 0.00 175.55 175.51 3h45 s TYR 301 N -0.12 2.82 0.20 2.71 2.02 0.11 -1.36 117.35 123.73 3h45 s TYR 301 Ca 0.09 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.33 3h45 s TYR 301 Cb -0.12 -2.23 -0.02 0.00 -0.40 0.00 0.00 41.96 39.19 3h45 s TYR 301 CO 0.00 -0.24 0.25 0.00 -1.57 0.00 0.00 175.55 173.99 3h45 s ALA 302 N -2.36 0.51 -0.24 3.71 0.00 0.91 -0.57 121.76 123.72 3h45 s ALA 302 Ca 0.51 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3h45 s ALA 302 Cb -0.08 1.13 0.04 0.00 0.00 0.00 0.00 23.12 24.21 3h45 s ALA 302 CO 0.31 -0.66 -0.11 -0.51 0.00 0.00 0.00 175.76 174.79 3h45 s LEU 303 N -3.07 3.03 0.08 0.00 1.43 0.57 -2.63 118.68 118.10 3h45 s LEU 303 Ca 0.28 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 3h45 s LEU 303 Cb 0.04 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3h45 s LEU 303 CO 0.07 -0.12 0.05 -0.70 0.23 0.00 0.00 176.35 175.89 3h45 s GLU 304 N 1.24 2.78 -0.13 1.70 2.12 -0.72 -1.28 118.70 124.41 3h45 s GLU 304 Ca -0.02 -0.73 -0.00 0.00 0.36 0.00 0.00 54.97 54.59 3h45 s GLU 304 Cb -0.17 -2.67 0.02 0.00 0.26 0.00 0.00 34.13 31.57 3h45 s GLU 304 CO -0.07 0.56 -0.10 0.20 -0.54 0.00 0.00 175.26 175.31 3h45 s GLY 305 N -2.32 0.96 -0.18 -1.50 0.00 0.68 -2.49 107.32 102.48 3h45 s GLY 305 Ca 0.28 -0.71 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 3h45 s GLY 305 CO 0.20 0.70 0.06 -0.56 0.00 0.00 0.00 173.10 173.51 3h45 s SER 306 N 1.61 5.65 -0.49 1.64 0.01 -1.26 -1.86 113.70 119.00 3h45 s SER 306 Ca 0.05 0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.42 3h45 s SER 306 Cb -0.13 -1.97 0.14 0.00 0.21 0.00 0.00 66.02 64.28 3h45 s SER 306 CO -0.09 0.17 0.29 -0.63 0.41 0.00 0.00 173.24 173.39 3h45 s ILE 307 N 0.38 1.75 0.31 1.44 1.01 -0.19 -1.16 121.20 124.74 3h45 s ILE 307 Ca 0.03 -2.98 0.08 0.00 0.00 0.00 0.00 60.65 57.78 3h45 s ILE 307 Cb -0.12 -2.21 0.30 0.00 0.01 0.00 0.00 42.46 40.45 3h45 s ILE 307 CO 0.00 -0.93 1.73 -0.26 0.00 0.00 0.00 174.94 175.48 3h45 h PHE 308 N 6.37 0.94 -3.70 3.97 0.04 -1.92 0.26 116.94 122.90 3h45 h PHE 308 Ca 0.03 0.04 -0.69 0.00 2.80 0.00 0.00 57.97 60.15 3h45 h PHE 308 Cb 0.89 -0.26 -0.33 0.00 2.20 0.00 0.00 35.95 38.45 3h45 h PHE 308 CO 0.50 0.05 -0.66 0.08 -0.60 0.00 0.00 178.31 177.68 3h45 s VAL 309 N -5.80 3.12 0.00 -0.55 1.01 -1.26 -4.10 120.40 112.81 3h45 s VAL 309 Ca -0.11 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.35 3h45 s VAL 309 Cb 0.27 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.77 3h45 s VAL 309 CO 0.79 -0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.64 3h45 n ALA 310 N 4.63 1.62 -0.28 5.51 0.00 -0.14 -4.80 120.51 127.05 3h45 n ALA 310 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 3h45 n ALA 310 Cb 0.43 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.98 3h45 n ALA 310 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h45 h GLY 311 N 0.00 1.25 1.56 0.00 0.00 0.20 -2.04 103.07 104.04 3h45 h GLY 311 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3h45 h GLY 311 CO 0.00 0.61 0.19 1.48 0.00 0.00 0.00 176.54 178.82 3h45 h SER 312 N 1.15 0.00 -0.06 0.19 4.64 -1.65 0.55 113.55 118.37 3h45 h SER 312 Ca 0.27 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.42 3h45 h SER 312 Cb 0.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3h45 h SER 312 CO -0.03 0.00 -0.66 0.00 -0.87 0.00 0.00 176.83 175.27 3h45 h ALA 313 N 1.56 0.15 -0.42 5.18 0.00 -1.65 -1.94 119.26 122.15 3h45 h ALA 313 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 3h45 h ALA 313 Cb 0.38 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3h45 h ALA 313 CO 0.00 0.45 -0.14 0.82 0.00 0.00 0.00 179.25 180.39 3h45 h ILE 314 N 0.13 1.26 -0.41 0.00 1.08 -1.01 -1.05 117.51 117.52 3h45 h ILE 314 Ca -0.07 -1.22 -0.03 0.00 -0.39 0.00 0.00 64.86 63.16 3h45 h ILE 314 Cb 1.33 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 3h45 h ILE 314 CO 0.13 0.41 0.14 -0.61 -0.69 0.00 0.00 178.15 177.54 3h45 h GLN 315 N 0.70 0.58 -0.44 2.37 4.15 -1.41 -1.46 115.11 119.60 3h45 h GLN 315 Ca 0.11 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.31 3h45 h GLN 315 Cb 0.63 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 3h45 h GLN 315 CO 0.04 0.50 -0.27 2.35 -1.93 0.00 0.00 178.83 179.52 3h45 h TRP 316 N 0.58 1.11 -0.40 3.99 7.01 -0.45 0.29 115.95 128.07 3h45 h TRP 316 Ca 0.14 -0.29 -0.01 0.00 2.11 0.00 0.00 58.89 60.85 3h45 h TRP 316 Cb 0.15 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 3h45 h TRP 316 CO 0.01 1.11 0.23 -0.07 -2.79 0.00 0.00 178.44 176.92 3h45 h LEU 317 N 0.81 0.48 0.09 0.65 3.38 -0.25 0.51 115.31 120.98 3h45 h LEU 317 Ca 0.09 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 3h45 h LEU 317 Cb 0.85 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3h45 h LEU 317 CO 0.08 0.39 -1.12 -0.09 0.09 0.00 0.00 178.44 177.79 3h45 h ARG 318 N 0.56 0.20 0.02 1.13 2.43 -0.95 0.28 114.38 118.04 3h45 h ARG 318 Ca 0.15 -0.34 -0.29 0.00 -0.81 0.00 0.00 59.98 58.68 3h45 h ARG 318 Cb 0.01 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 3h45 h ARG 318 CO -0.03 1.16 -1.65 -0.44 -1.51 0.00 0.00 179.97 177.51 3h45 h ASP 319 N -0.48 0.07 0.00 -3.80 3.32 -0.37 -3.32 116.42 111.85 3h45 h ASP 319 Ca -0.24 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3h45 h ASP 319 Cb 1.60 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.13 3h45 h ASP 319 CO 0.04 1.12 -0.38 0.61 -1.72 0.00 0.00 179.24 178.91 3h45 n GLY 320 N 1.58 -0.75 0.02 2.75 0.00 0.18 -4.51 105.19 104.46 3h45 n GLY 320 Ca -0.16 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.86 3h45 n GLY 320 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h45 n LEU 321 N -3.77 0.23 -2.35 0.99 4.77 -0.96 -4.88 117.00 111.03 3h45 n LEU 321 Ca -0.05 0.42 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 3h45 n LEU 321 Cb 0.20 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3h45 n LEU 321 CO 0.08 -0.01 -0.19 0.54 -1.33 0.00 0.00 177.39 176.48 3h45 n ARG 322 N -1.63 -1.98 0.25 3.23 1.74 -0.91 -4.83 116.66 112.52 3h45 n ARG 322 Ca 0.06 0.76 0.14 0.00 -0.77 0.00 0.00 57.85 58.04 3h45 n ARG 322 Cb 0.36 -5.36 0.47 0.00 -1.02 0.00 0.00 32.46 26.92 3h45 n ARG 322 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3h45 h MET 323 N 0.00 0.00 -4.95 5.56 4.05 -0.71 -3.45 114.93 115.43 3h45 h MET 323 Ca -0.36 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 58.73 3h45 h MET 323 Cb 1.25 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 31.85 3h45 h MET 323 CO 0.43 0.07 -0.75 0.96 0.23 0.00 0.00 176.91 177.85 3h45 s ILE 324 N -3.51 0.86 -0.05 1.77 -4.36 -1.14 -5.00 121.20 109.77 3h45 s ILE 324 Ca 0.03 -1.36 -0.24 0.00 -0.26 0.00 0.00 60.65 58.82 3h45 s ILE 324 Cb 0.08 -1.03 -0.23 0.00 1.25 0.00 0.00 42.46 42.53 3h45 s ILE 324 CO 0.60 -0.40 1.04 -0.33 0.24 0.00 0.00 174.94 176.10 3h45 h GLU 325 N 4.08 0.18 -4.33 0.37 5.08 -1.91 -3.40 114.58 114.66 3h45 h GLU 325 Ca -0.38 -0.19 -0.20 0.00 -1.00 0.00 0.00 59.36 57.59 3h45 h GLU 325 Cb 1.19 0.05 -0.19 0.00 0.50 0.00 0.00 28.75 30.31 3h45 h GLU 325 CO 0.45 0.91 -0.71 0.95 -1.00 0.00 0.00 179.01 179.62 3h45 s THR 326 N -3.18 0.37 0.15 1.13 -4.23 -1.26 -5.02 115.64 103.59 3h45 s THR 326 Ca -0.16 -1.32 -0.19 0.00 -1.18 0.00 0.00 61.69 58.84 3h45 s THR 326 Cb 0.01 -0.87 0.06 0.00 1.34 0.00 0.00 72.50 73.04 3h45 s THR 326 CO 0.74 -0.63 1.67 0.28 -0.54 0.00 0.00 174.62 176.14 3h45 h SER 327 N 4.01 -0.42 -0.64 3.99 0.02 -1.90 -1.74 113.55 116.86 3h45 h SER 327 Ca -0.34 0.11 0.19 0.00 -0.84 0.00 0.00 61.79 60.91 3h45 h SER 327 Cb 1.19 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.95 3h45 h SER 327 CO 0.50 -0.15 0.51 -0.65 -1.14 0.00 0.00 176.83 175.89 3h45 h PRO 328 N -0.06 0.00 0.00 3.45 0.11 -1.98 -0.28 132.00 133.24 3h45 h PRO 328 Ca 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3h45 h PRO 328 Cb 0.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3h45 h PRO 328 CO -0.36 0.00 -0.00 0.37 -0.21 0.00 0.00 178.00 177.80 3h45 h GLN 329 N 0.00 0.00 -0.61 1.05 4.15 -1.73 -2.59 115.11 115.38 3h45 h GLN 329 Ca 0.31 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.80 3h45 h GLN 329 Cb 1.32 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.97 3h45 h GLN 329 CO -0.00 0.00 0.40 0.66 -1.93 0.00 0.00 178.83 177.96 3h45 h SER 330 N 0.00 0.47 -0.11 -0.69 4.64 -1.16 -2.38 113.55 114.33 3h45 h SER 330 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3h45 h SER 330 Cb 0.09 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3h45 h SER 330 CO 0.00 0.30 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.16 3h45 h GLU 331 N 0.54 0.21 0.00 4.77 4.81 -1.67 -1.86 114.58 121.37 3h45 h GLU 331 Ca 0.27 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 3h45 h GLU 331 Cb 0.37 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3h45 h GLU 331 CO -0.08 0.50 -0.60 1.05 -0.73 0.00 0.00 179.01 179.16 3h45 h GLU 332 N -0.11 0.00 -0.02 1.92 4.11 -1.72 -0.98 114.58 117.79 3h45 h GLU 332 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 3h45 h GLU 332 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3h45 h GLU 332 CO 0.01 0.60 -0.00 -0.07 0.07 0.00 0.00 179.01 179.62 3h45 h LEU 333 N 0.00 0.03 -1.05 3.06 3.38 -1.43 -2.75 115.31 116.55 3h45 h LEU 333 Ca -0.01 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3h45 h LEU 333 Cb 1.10 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 3h45 h LEU 333 CO 0.08 0.33 0.64 0.00 0.09 0.00 0.00 178.44 179.59 3h45 h ALA 334 N 0.70 1.33 0.00 1.53 0.00 -1.23 -1.81 119.26 119.78 3h45 h ALA 334 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h45 h ALA 334 Cb 0.32 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3h45 h ALA 334 CO 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.84 3h45 h ALA 335 N 1.41 1.43 -0.12 0.00 0.00 -1.02 -2.08 119.26 118.86 3h45 h ALA 335 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3h45 h ALA 335 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3h45 h ALA 335 CO -0.09 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.81 3h45 n LYS 336 N -3.73 1.98 -1.89 0.00 5.02 -0.68 -4.96 118.16 113.90 3h45 n LYS 336 Ca -0.03 -1.45 -0.42 0.00 -2.02 0.00 0.00 58.31 54.40 3h45 n LYS 336 Cb 0.11 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3h45 n LYS 336 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h45 s ALA 337 N -1.86 3.78 -0.76 7.82 0.00 -0.79 -4.92 121.76 125.04 3h45 s ALA 337 Ca 0.34 1.43 0.06 0.00 0.00 0.00 0.00 51.96 53.79 3h45 s ALA 337 Cb 0.20 -3.63 0.06 0.00 0.00 0.00 0.00 23.12 19.76 3h45 s ALA 337 CO 0.30 -0.83 0.75 1.63 0.00 0.00 0.00 175.76 177.62 3h45 n LYS 338 N 3.47 0.23 -0.53 0.00 4.76 -1.26 -4.98 118.16 119.84 3h45 n LYS 338 Ca 0.12 -0.98 -0.29 0.00 -2.87 0.00 0.00 58.31 54.29 3h45 n LYS 338 Cb 0.38 -1.12 0.24 0.00 -1.84 0.00 0.00 35.03 32.68 3h45 n LYS 338 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h45 n GLY 339 N 0.32 -2.01 0.00 0.72 0.00 -1.26 -4.86 105.19 98.10 3h45 n GLY 339 Ca 0.04 -1.07 0.04 0.00 0.00 0.00 0.00 46.02 45.03 3h45 n GLY 339 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h45 n ASP 340 N -4.26 0.00 -1.57 1.61 5.75 -1.26 -4.86 116.55 111.96 3h45 n ASP 340 Ca 0.03 -1.44 -0.14 0.00 -0.01 0.00 0.00 54.79 53.23 3h45 n ASP 340 Cb 0.55 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.63 3h45 n ASP 340 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3h45 n ASN 341 N -0.66 -4.38 0.08 -1.12 2.85 -1.26 -4.92 115.26 105.86 3h45 n ASN 341 Ca 0.07 0.02 0.12 0.00 -0.11 0.00 0.00 54.58 54.68 3h45 n ASN 341 Cb 0.03 -3.50 0.11 0.00 1.24 0.00 0.00 39.78 37.66 3h45 n ASN 341 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3h45 h GLU 342 N 0.00 0.00 -6.77 1.20 4.39 -1.90 -3.47 114.58 108.04 3h45 h GLU 342 Ca -0.33 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.86 3h45 h GLU 342 Cb 1.22 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.88 3h45 h GLU 342 CO 0.40 0.00 0.47 0.08 -1.16 0.00 0.00 179.01 178.80 3h45 s VAL 343 N -3.24 3.60 -0.07 3.13 1.01 -1.26 -4.55 120.40 119.03 3h45 s VAL 343 Ca 0.04 1.55 0.01 0.00 0.00 0.00 0.00 61.98 63.57 3h45 s VAL 343 Cb 0.12 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.53 3h45 s VAL 343 CO 0.74 0.34 -0.06 -0.31 0.00 0.00 0.00 175.10 175.82 3h45 s TYR 344 N -0.93 1.06 -0.14 5.22 2.02 -0.58 -4.80 117.35 119.20 3h45 s TYR 344 Ca 0.46 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.75 3h45 s TYR 344 Cb -0.31 -0.91 -0.01 0.00 -0.40 0.00 0.00 41.96 40.33 3h45 s TYR 344 CO 0.39 -0.30 -0.11 0.08 -1.57 0.00 0.00 175.55 174.04 3h45 s VAL 345 N 1.20 3.17 -0.54 0.71 1.01 -1.26 -0.50 120.40 124.18 3h45 s VAL 345 Ca -0.06 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3h45 s VAL 345 Cb -0.14 -2.35 0.14 0.00 0.00 0.00 0.00 36.38 34.03 3h45 s VAL 345 CO -0.02 0.51 0.30 -0.69 0.00 0.00 0.00 175.10 175.20 3h45 s VAL 346 N 0.49 2.78 0.00 2.92 1.01 0.18 -4.64 120.40 123.14 3h45 s VAL 346 Ca -0.08 -3.31 -0.00 0.00 0.00 0.00 0.00 61.98 58.59 3h45 s VAL 346 Cb -0.15 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3h45 s VAL 346 CO 0.04 -0.82 1.47 -0.81 0.00 0.00 0.00 175.10 174.98 3h45 n PRO 347 N 3.12 0.74 -0.97 2.72 -0.04 -1.26 0.19 135.00 139.50 3h45 n PRO 347 Ca 0.06 -0.07 -0.26 0.00 -0.04 0.00 0.00 63.50 63.19 3h45 n PRO 347 Cb 0.33 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 3h45 n PRO 347 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h45 n ALA 348 N 1.77 5.93 0.14 0.55 0.00 -1.26 -4.58 120.51 123.06 3h45 n ALA 348 Ca 0.03 -2.46 0.19 0.00 0.00 0.00 0.00 53.44 51.20 3h45 n ALA 348 Cb 0.36 -2.99 0.78 0.00 0.00 0.00 0.00 19.45 17.60 3h45 n ALA 348 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3h45 h PHE 349 N 5.21 0.00 0.00 0.00 0.04 -1.86 -2.03 116.94 118.31 3h45 h PHE 349 Ca 0.57 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.28 3h45 h PHE 349 Cb 0.43 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.47 3h45 h PHE 349 CO 1.86 0.00 -0.60 0.25 -0.60 0.00 0.00 178.31 179.22 3h45 n THR 350 N -3.78 1.32 0.00 -1.55 -2.24 -1.26 -4.69 114.28 102.08 3h45 n THR 350 Ca 0.05 -2.18 0.00 0.00 -2.27 0.00 0.00 64.05 59.65 3h45 n THR 350 Cb 0.48 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3h45 n THR 350 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h45 n GLY 351 N -0.58 1.44 3.77 3.38 0.00 -0.82 -4.84 105.19 107.53 3h45 n GLY 351 Ca 0.13 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 3h45 n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h45 s LEU 352 N -0.60 4.61 0.00 0.99 1.43 -0.12 -4.77 118.68 120.22 3h45 s LEU 352 Ca 0.00 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 3h45 s LEU 352 Cb 0.00 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3h45 s LEU 352 CO 0.00 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.37 3h45 n GLY 353 N 1.52 1.40 3.77 -3.19 0.00 -1.26 -2.20 105.19 105.23 3h45 n GLY 353 Ca -0.04 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 3h45 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h45 s ALA 354 N -3.51 3.44 -0.51 4.61 0.00 -0.31 0.10 121.76 125.58 3h45 s ALA 354 Ca 0.00 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.25 3h45 s ALA 354 Cb 0.00 -3.49 0.56 0.00 0.00 0.00 0.00 23.12 20.19 3h45 s ALA 354 CO 0.00 -0.71 1.89 -0.35 0.00 0.00 0.00 175.76 176.59 3h45 n PRO 355 N 0.60 2.44 -0.11 0.00 -0.04 -1.26 -4.56 135.00 132.07 3h45 n PRO 355 Ca 0.01 -3.19 -0.22 0.00 -0.04 0.00 0.00 63.50 60.05 3h45 n PRO 355 Cb 0.42 -2.19 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 3h45 n PRO 355 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3h45 n TYR 356 N -1.04 0.55 -3.74 0.54 4.01 0.12 -4.87 117.16 112.72 3h45 n TYR 356 Ca 0.58 0.24 -0.22 0.00 -0.16 0.00 0.00 57.90 58.33 3h45 n TYR 356 Cb 1.19 -0.99 0.03 0.00 -0.31 0.00 0.00 39.34 39.26 3h45 n TYR 356 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 3h45 n TRP 357 N -4.38 -1.91 -3.64 -0.72 7.02 0.14 -4.94 117.44 109.01 3h45 n TRP 357 Ca -0.37 0.83 -0.39 0.00 -1.02 0.00 0.00 57.50 56.55 3h45 n TRP 357 Cb 0.71 -4.29 -0.09 0.00 -2.42 0.00 0.00 31.31 25.22 3h45 n TRP 357 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h45 s ASP 358 N -4.30 5.54 0.00 -0.99 -1.08 -0.93 -4.94 116.67 109.97 3h45 s ASP 358 Ca 0.05 -2.40 0.20 0.00 -0.52 0.00 0.00 52.55 49.88 3h45 s ASP 358 Cb -0.02 -1.93 0.91 0.00 -1.46 0.00 0.00 42.92 40.41 3h45 s ASP 358 CO 0.82 -0.52 1.62 -1.54 0.52 0.00 0.00 175.17 176.07 3h45 n SER 359 N 4.18 0.00 0.02 -0.34 3.41 -1.26 -0.94 113.62 118.68 3h45 n SER 359 Ca 0.02 0.27 -0.08 0.00 -0.26 0.00 0.00 58.87 58.82 3h45 n SER 359 Cb 0.40 -0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3h45 n SER 359 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3h45 h GLU 360 N 0.00 0.00 -6.97 4.33 4.39 -1.92 -3.40 114.58 111.02 3h45 h GLU 360 Ca 0.00 -0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 3h45 h GLU 360 Cb 0.27 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.06 3h45 h GLU 360 CO 0.00 0.74 0.54 0.00 -1.16 0.00 0.00 179.01 179.13 3h45 n ALA 361 N -2.46 1.43 -2.43 3.43 0.00 -1.14 -4.90 120.51 114.44 3h45 n ALA 361 Ca -0.09 0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 3h45 n ALA 361 Cb 1.00 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.03 3h45 n ALA 361 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h45 s ARG 362 N -2.70 1.57 0.42 0.00 1.81 -1.24 -2.23 118.95 116.59 3h45 s ARG 362 Ca 0.69 -1.84 -0.26 0.00 -1.72 0.00 0.00 55.73 52.60 3h45 s ARG 362 Cb -0.44 -0.94 -0.10 0.00 -0.45 0.00 0.00 34.95 33.02 3h45 s ARG 362 CO 0.51 -0.09 1.31 0.41 -0.68 0.00 0.00 175.30 176.76 3h45 n GLY 363 N -0.62 0.67 3.27 -3.53 0.00 -0.88 -4.39 105.19 99.72 3h45 n GLY 363 Ca -0.04 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3h45 n GLY 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h45 s ALA 364 N -1.19 -0.71 -0.01 4.61 0.00 0.13 -4.88 121.76 119.71 3h45 s ALA 364 Ca 0.60 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.49 3h45 s ALA 364 Cb -0.50 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3h45 s ALA 364 CO 0.59 -0.51 -0.12 0.08 0.00 0.00 0.00 175.76 175.79 3h45 s VAL 365 N -3.23 0.97 0.07 0.00 1.01 -1.26 0.51 120.40 118.47 3h45 s VAL 365 Ca -0.00 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3h45 s VAL 365 Cb 0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 3h45 s VAL 365 CO -0.08 0.28 -0.06 -0.36 0.00 0.00 0.00 175.10 174.88 3h45 s PHE 366 N -0.21 0.71 -0.18 5.22 0.08 0.34 -4.89 117.98 119.06 3h45 s PHE 366 Ca 0.03 -0.82 0.00 0.00 0.12 0.00 0.00 56.93 56.27 3h45 s PHE 366 Cb -0.06 -0.44 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 3h45 s PHE 366 CO -0.00 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.34 3h45 n GLY 367 N 0.48 0.53 3.77 4.36 0.00 -1.26 -1.53 105.19 111.53 3h45 n GLY 367 Ca -0.16 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 3h45 n GLY 367 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h45 s LEU 368 N -0.39 4.30 0.26 0.99 1.43 -1.26 -4.34 118.68 119.67 3h45 s LEU 368 Ca 0.00 2.52 0.02 0.00 -1.03 0.00 0.00 54.13 55.63 3h45 s LEU 368 Cb 0.00 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 3h45 s LEU 368 CO 0.00 -0.63 0.15 0.42 0.23 0.00 0.00 176.35 176.52 3h45 s THR 369 N -1.27 0.23 0.50 5.49 -4.23 -1.26 -5.01 115.64 110.09 3h45 s THR 369 Ca 0.53 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.43 3h45 s THR 369 Cb -0.35 -2.54 0.41 0.00 1.34 0.00 0.00 72.50 71.36 3h45 s THR 369 CO 0.46 0.00 2.24 -0.09 -0.54 0.00 0.00 174.62 176.69 3h45 h ARG 370 N 2.39 0.00 0.00 3.99 2.43 -2.07 -1.66 114.38 119.47 3h45 h ARG 370 Ca -0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3h45 h ARG 370 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3h45 h ARG 370 CO 0.53 0.01 -0.29 0.41 -1.51 0.00 0.00 179.97 179.12 3h45 n GLY 371 N -0.79 -1.50 3.69 2.80 0.00 -1.26 -4.89 105.19 103.23 3h45 n GLY 371 Ca -0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3h45 n GLY 371 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h45 s THR 372 N -3.09 2.77 0.44 2.61 2.01 -0.63 -4.93 115.64 114.82 3h45 s THR 372 Ca 0.10 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.38 3h45 s THR 372 Cb 0.15 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 3h45 s THR 372 CO 0.64 -0.00 0.21 0.42 -0.69 0.00 0.00 174.62 175.20 3h45 s THR 373 N 2.86 2.17 0.19 -0.82 -4.23 -1.26 -4.95 115.64 109.59 3h45 s THR 373 Ca 0.79 -1.67 -0.15 0.00 -1.18 0.00 0.00 61.69 59.48 3h45 s THR 373 Cb -0.43 -2.84 0.16 0.00 1.34 0.00 0.00 72.50 70.72 3h45 s THR 373 CO 0.35 0.00 1.65 0.50 -0.54 0.00 0.00 174.62 176.58 3h45 h LYS 374 N 1.31 0.01 0.02 3.99 3.64 -1.99 -0.90 116.57 122.65 3h45 h LYS 374 Ca -0.42 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.99 3h45 h LYS 374 Cb 1.26 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 3h45 h LYS 374 CO 0.68 0.01 -0.36 0.93 -2.27 0.00 0.00 179.45 178.43 3h45 h GLU 375 N 0.01 -0.51 -0.83 1.90 3.07 -1.95 0.02 114.58 116.29 3h45 h GLU 375 Ca 0.24 0.04 0.19 0.00 -0.50 0.00 0.00 59.36 59.33 3h45 h GLU 375 Cb 0.37 0.12 -0.12 0.00 -0.84 0.00 0.00 28.75 28.28 3h45 h GLU 375 CO -0.51 -0.34 0.31 -0.44 -1.40 0.00 0.00 179.01 176.62 3h45 h ASP 376 N -0.53 0.21 0.20 1.42 3.32 -1.60 0.71 116.42 120.16 3h45 h ASP 376 Ca 0.05 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3h45 h ASP 376 Cb 0.61 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3h45 h ASP 376 CO -0.27 0.00 -0.10 0.15 -1.72 0.00 0.00 179.24 177.30 3h45 h PHE 377 N 0.37 -0.25 -0.76 4.55 3.57 -0.10 -1.09 116.94 123.24 3h45 h PHE 377 Ca 0.49 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.99 3h45 h PHE 377 Cb 0.88 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 3h45 h PHE 377 CO -0.19 -0.03 0.47 0.28 -2.23 0.00 0.00 178.31 176.62 3h45 h VAL 378 N -0.45 1.21 -0.26 1.41 2.07 -0.28 0.12 116.25 120.08 3h45 h VAL 378 Ca -0.03 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3h45 h VAL 378 Cb 0.34 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3h45 h VAL 378 CO 0.05 0.21 0.16 -0.09 0.02 0.00 0.00 177.57 177.92 3h45 h ARG 379 N 1.03 0.35 -0.48 1.57 2.43 -0.80 0.09 114.38 118.57 3h45 h ARG 379 Ca 0.27 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 3h45 h ARG 379 Cb -0.06 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3h45 h ARG 379 CO -0.05 0.26 0.28 0.00 -1.51 0.00 0.00 179.97 178.95 3h45 h ALA 380 N 1.07 0.62 -0.74 2.80 0.00 -0.81 -0.33 119.26 121.87 3h45 h ALA 380 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h45 h ALA 380 Cb -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3h45 h ALA 380 CO -0.02 -0.03 0.47 1.15 0.00 0.00 0.00 179.25 180.82 3h45 h THR 381 N 0.56 1.20 0.05 0.00 2.02 -0.22 -2.86 112.91 113.67 3h45 h THR 381 Ca 0.19 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3h45 h THR 381 Cb 0.03 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3h45 h THR 381 CO -0.09 0.20 -0.02 -0.07 0.37 0.00 0.00 175.52 175.91 3h45 h LEU 382 N 1.02 -0.06 -2.19 2.58 3.38 -0.23 -3.23 115.31 116.58 3h45 h LEU 382 Ca 0.27 -0.47 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3h45 h LEU 382 Cb -0.08 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3h45 h LEU 382 CO -0.05 0.45 0.27 1.56 0.09 0.00 0.00 178.44 180.76 3h45 h GLN 383 N -0.59 0.00 -0.80 1.13 4.20 -0.94 -3.01 115.11 115.10 3h45 h GLN 383 Ca -0.01 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.89 3h45 h GLN 383 Cb 0.52 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.18 3h45 h GLN 383 CO 0.01 0.00 0.22 0.00 -0.67 0.00 0.00 178.83 178.39 3h45 h ALA 384 N 1.64 1.11 -0.38 3.87 0.00 -1.53 0.11 119.26 124.08 3h45 h ALA 384 Ca 0.09 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3h45 h ALA 384 Cb 0.62 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3h45 h ALA 384 CO -0.00 -0.37 -0.05 -0.24 0.00 0.00 0.00 179.25 178.59 3h45 h VAL 385 N 0.27 1.23 0.01 0.00 3.04 -1.76 -2.02 116.25 117.01 3h45 h VAL 385 Ca 0.47 -0.97 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3h45 h VAL 385 Cb 0.87 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 3h45 h VAL 385 CO -0.56 0.33 -0.00 0.00 -1.01 0.00 0.00 177.57 176.33 3h45 h ALA 386 N 1.36 -0.01 0.54 3.17 0.00 -0.99 -0.61 119.26 122.73 3h45 h ALA 386 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3h45 h ALA 386 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3h45 h ALA 386 CO 0.02 -0.49 -0.43 1.88 0.00 0.00 0.00 179.25 180.23 3h45 h TYR 387 N -0.04 -1.17 -0.03 0.00 0.05 -1.13 -1.43 116.97 113.22 3h45 h TYR 387 Ca -0.00 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3h45 h TYR 387 Cb 0.04 0.44 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 3h45 h TYR 387 CO -0.07 -0.61 0.02 0.37 -1.05 0.00 0.00 178.16 176.82 3h45 h GLN 388 N -0.96 0.00 -0.41 4.88 4.15 -1.37 0.96 115.11 122.36 3h45 h GLN 388 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3h45 h GLN 388 Cb 0.81 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 3h45 h GLN 388 CO -0.00 0.00 0.23 0.77 -1.93 0.00 0.00 178.83 177.90 3h45 h SER 389 N 0.00 0.50 -0.17 -0.69 0.02 -0.29 0.42 113.55 113.35 3h45 h SER 389 Ca 0.01 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3h45 h SER 389 Cb 0.05 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3h45 h SER 389 CO -0.00 0.43 -0.11 0.50 -1.14 0.00 0.00 176.83 176.52 3h45 h LYS 390 N 0.53 0.53 0.01 3.45 3.64 0.10 0.14 116.57 124.96 3h45 h LYS 390 Ca 0.14 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3h45 h LYS 390 Cb 0.04 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3h45 h LYS 390 CO -0.02 0.63 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.22 3h45 h ASP 391 N 0.49 -0.37 -0.01 4.20 3.32 0.35 -0.02 116.42 124.38 3h45 h ASP 391 Ca 0.09 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3h45 h ASP 391 Cb 0.48 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 3h45 h ASP 391 CO 0.03 -0.18 0.00 0.58 -1.72 0.00 0.00 179.24 177.95 3h45 h VAL 392 N -0.22 1.18 -0.23 -1.35 2.07 -0.62 -2.23 116.25 114.85 3h45 h VAL 392 Ca 0.04 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3h45 h VAL 392 Cb 0.27 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3h45 h VAL 392 CO -0.12 0.14 0.10 0.40 0.02 0.00 0.00 177.57 178.11 3h45 h ILE 393 N -0.21 1.09 -0.05 4.57 2.04 -0.57 0.17 117.51 124.55 3h45 h ILE 393 Ca 0.00 -0.26 -0.18 0.00 1.00 0.00 0.00 64.86 65.42 3h45 h ILE 393 Cb 0.23 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3h45 h ILE 393 CO 0.00 0.10 -0.74 0.44 0.00 0.00 0.00 178.15 177.95 3h45 h ASP 394 N 0.32 0.35 -0.03 1.72 3.32 -0.92 -2.48 116.42 118.69 3h45 h ASP 394 Ca 0.08 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3h45 h ASP 394 Cb 0.05 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3h45 h ASP 394 CO -0.01 0.97 -0.00 0.74 -1.72 0.00 0.00 179.24 179.21 3h45 h THR 395 N 0.19 1.27 -0.57 0.35 2.02 -0.61 -2.27 112.91 113.29 3h45 h THR 395 Ca -0.03 -0.83 0.11 0.00 0.77 0.00 0.00 66.41 66.43 3h45 h THR 395 Cb 1.31 1.77 -0.11 0.00 -1.74 0.00 0.00 68.15 69.38 3h45 h THR 395 CO 0.12 0.22 -0.15 -0.03 0.37 0.00 0.00 175.52 176.05 3h45 h MET 396 N -0.27 -0.01 0.00 6.66 -1.53 -0.65 0.31 114.93 119.43 3h45 h MET 396 Ca 0.01 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 3h45 h MET 396 Cb 0.36 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.41 3h45 h MET 396 CO 0.00 -0.01 -0.10 1.57 0.14 0.00 0.00 176.91 178.52 3h45 h LYS 397 N -0.01 0.00 0.06 0.39 2.10 -1.44 -1.74 116.57 115.93 3h45 h LYS 397 Ca 0.27 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.92 3h45 h LYS 397 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 3h45 h LYS 397 CO -0.59 0.10 -0.03 0.87 -2.00 0.00 0.00 179.45 177.80 3h45 h LYS 398 N 0.00 -0.08 -0.06 0.07 1.57 -0.55 0.29 116.57 117.81 3h45 h LYS 398 Ca -0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3h45 h LYS 398 Cb 0.94 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 3h45 h LYS 398 CO 0.01 0.32 -0.09 -0.44 -0.57 0.00 0.00 179.45 178.68 3h45 h ASP 399 N -0.50 -0.28 -0.03 0.86 3.45 -0.93 -3.24 116.42 115.75 3h45 h ASP 399 Ca -0.01 0.05 -0.16 0.00 0.43 0.00 0.00 57.03 57.34 3h45 h ASP 399 Cb 0.44 0.13 0.01 0.00 -0.56 0.00 0.00 39.33 39.35 3h45 h ASP 399 CO 0.01 -0.13 -0.61 0.28 -1.57 0.00 0.00 179.24 177.22 3h45 h SER 400 N -0.13 0.59 0.00 6.45 0.02 -1.36 -3.41 113.55 115.72 3h45 h SER 400 Ca 0.06 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 3h45 h SER 400 Cb 0.21 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3h45 h SER 400 CO -0.14 1.23 0.00 0.61 -1.14 0.00 0.00 176.83 177.39 3h45 n GLY 401 N 0.96 2.82 3.65 -3.77 0.00 0.10 -5.04 105.19 103.91 3h45 n GLY 401 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3h45 n GLY 401 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h45 s ILE 402 N -2.82 2.21 -0.05 -0.61 -1.09 -1.25 -4.96 121.20 112.63 3h45 s ILE 402 Ca 0.00 0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.51 3h45 s ILE 402 Cb 0.00 -2.16 -0.03 0.00 -1.58 0.00 0.00 42.46 38.69 3h45 s ILE 402 CO 0.00 -0.09 -0.09 -0.62 -1.23 0.00 0.00 174.94 172.91 3h45 s ASP 403 N -2.75 4.48 -0.80 3.58 2.15 -1.26 -4.63 116.67 117.44 3h45 s ASP 403 Ca 0.66 -0.09 -0.11 0.00 0.43 0.00 0.00 52.55 53.44 3h45 s ASP 403 Cb -0.22 -1.06 0.21 0.00 -0.30 0.00 0.00 42.92 41.54 3h45 s ASP 403 CO 0.59 0.34 0.72 -0.63 -0.17 0.00 0.00 175.17 176.02 3h45 s ILE 404 N -0.83 5.22 0.08 4.11 -1.09 -1.26 -4.88 121.20 122.55 3h45 s ILE 404 Ca 0.13 -2.67 0.07 0.00 -2.23 0.00 0.00 60.65 55.96 3h45 s ILE 404 Cb -0.11 -4.24 -0.22 0.00 -1.58 0.00 0.00 42.46 36.31 3h45 s ILE 404 CO 0.03 -1.01 1.14 1.55 -1.23 0.00 0.00 174.94 175.42 3h45 h PRO 405 N 7.51 0.02 -5.41 2.79 0.13 -1.97 -3.46 132.00 131.60 3h45 h PRO 405 Ca 0.09 -0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.67 3h45 h PRO 405 Cb 1.01 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 31.86 3h45 h PRO 405 CO 0.76 0.92 -0.82 -1.17 -0.23 0.00 0.00 178.00 177.45 3h45 s LEU 406 N -6.62 2.00 -0.08 1.56 2.96 -1.26 -1.82 118.68 115.43 3h45 s LEU 406 Ca -0.01 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3h45 s LEU 406 Cb 0.09 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.98 3h45 s LEU 406 CO 0.83 0.18 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.72 3h45 s LEU 407 N -0.30 1.46 -0.09 -0.68 2.96 -0.36 -4.68 118.68 117.00 3h45 s LEU 407 Ca 0.04 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 53.52 3h45 s LEU 407 Cb -0.07 -0.78 -0.05 0.00 0.50 0.00 0.00 46.19 45.79 3h45 s LEU 407 CO -0.00 -0.02 0.40 -0.54 -1.32 0.00 0.00 176.35 174.87 3h45 s LYS 408 N 1.01 4.16 0.17 1.98 1.02 -0.90 -0.53 119.74 126.65 3h45 s LYS 408 Ca -0.08 0.34 0.09 0.00 0.02 0.00 0.00 55.97 56.34 3h45 s LYS 408 Cb -0.15 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 3h45 s LYS 408 CO -0.00 0.37 -0.19 0.14 -0.92 0.00 0.00 175.35 174.74 3h45 s VAL 409 N -0.02 1.88 0.22 3.17 -7.23 -0.23 0.10 120.40 118.29 3h45 s VAL 409 Ca 0.23 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 3h45 s VAL 409 Cb -0.15 -1.87 0.04 0.00 0.56 0.00 0.00 36.38 34.97 3h45 s VAL 409 CO 0.10 -0.28 0.58 -0.90 -0.31 0.00 0.00 175.10 174.29 3h45 n ASP 410 N 0.32 -1.44 0.00 4.85 5.68 -0.94 -1.82 116.55 123.21 3h45 n ASP 410 Ca -0.13 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 3h45 n ASP 410 Cb 0.57 2.38 0.00 0.00 -1.14 0.00 0.00 41.12 42.93 3h45 n ASP 410 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h45 n GLY 411 N -0.40 1.71 0.00 6.12 0.00 -1.11 -1.20 105.19 110.32 3h45 n GLY 411 Ca -0.05 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3h45 n GLY 411 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h45 n GLY 412 N 1.83 -3.42 0.19 -0.02 0.00 -0.97 -1.07 105.19 101.72 3h45 n GLY 412 Ca 0.00 0.65 0.05 0.00 0.00 0.00 0.00 46.02 46.72 3h45 n GLY 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h45 h ALA 413 N -1.65 1.33 0.00 4.61 0.00 -1.84 0.10 119.26 121.81 3h45 h ALA 413 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h45 h ALA 413 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h45 h ALA 413 CO 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 179.25 178.89 3h45 h ALA 414 N 0.81 1.06 -0.89 0.00 0.00 -1.27 -2.58 119.26 116.39 3h45 h ALA 414 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.05 3h45 h ALA 414 Cb 0.93 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 3h45 h ALA 414 CO 0.00 0.03 0.57 -0.22 0.00 0.00 0.00 179.25 179.63 3h45 h LYS 415 N 0.00 0.59 -6.26 0.00 3.64 -0.90 -3.40 116.57 110.24 3h45 h LYS 415 Ca -0.00 -0.04 -0.57 0.00 -1.27 0.00 0.00 60.65 58.77 3h45 h LYS 415 Cb 0.26 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3h45 h LYS 415 CO 0.00 0.39 1.27 1.21 -2.27 0.00 0.00 179.45 180.06 3h45 s ASN 416 N -5.74 5.87 0.12 4.20 3.84 -0.97 -4.89 114.94 117.36 3h45 s ASN 416 Ca -0.09 1.21 -0.16 0.00 0.21 0.00 0.00 52.86 54.03 3h45 s ASN 416 Cb 0.22 -2.53 -0.03 0.00 -0.55 0.00 0.00 41.25 38.36 3h45 s ASN 416 CO 0.79 -1.74 1.60 0.44 -2.79 0.00 0.00 177.10 175.39 3h45 h ASP 417 N 12.90 0.56 -0.86 -4.21 3.32 -1.90 -2.40 116.42 123.84 3h45 h ASP 417 Ca -0.33 -0.26 0.14 0.00 0.02 0.00 0.00 57.03 56.61 3h45 h ASP 417 Cb 1.16 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.50 3h45 h ASP 417 CO 1.05 0.67 0.56 -0.07 -1.72 0.00 0.00 179.24 179.73 3h45 h LEU 418 N 0.42 0.61 0.03 1.55 3.38 -1.96 0.21 115.31 119.56 3h45 h LEU 418 Ca 0.11 0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.85 3h45 h LEU 418 Cb 0.35 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.03 3h45 h LEU 418 CO 0.01 0.32 -1.04 0.25 0.09 0.00 0.00 178.44 178.06 3h45 h LEU 419 N 0.65 0.86 -0.74 1.67 5.85 -1.89 -2.11 115.31 119.60 3h45 h LEU 419 Ca 0.43 -0.77 -0.12 0.00 0.84 0.00 0.00 57.88 58.26 3h45 h LEU 419 Cb 0.71 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3h45 h LEU 419 CO -0.19 1.52 -0.31 0.24 -0.34 0.00 0.00 178.44 179.36 3h45 h MET 420 N 0.30 0.61 -0.43 1.25 2.86 -0.84 0.18 114.93 118.85 3h45 h MET 420 Ca -0.14 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.19 3h45 h MET 420 Cb 1.71 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.33 3h45 h MET 420 CO 0.20 0.85 0.12 0.37 1.06 0.00 0.00 176.91 179.51 3h45 h GLN 421 N 0.52 0.68 -0.78 1.72 5.75 -0.66 -0.46 115.11 121.89 3h45 h GLN 421 Ca 0.06 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.36 3h45 h GLN 421 Cb 0.79 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.21 3h45 h GLN 421 CO 0.06 0.68 0.28 0.35 -2.65 0.00 0.00 178.83 177.55 3h45 h PHE 422 N 0.56 1.21 -0.66 3.99 3.57 -0.97 0.26 116.94 124.90 3h45 h PHE 422 Ca 0.14 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3h45 h PHE 422 Cb 0.29 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 3h45 h PHE 422 CO 0.02 0.93 0.41 0.37 -2.23 0.00 0.00 178.31 177.80 3h45 h GLN 423 N 1.14 0.79 -0.20 1.11 5.75 -0.20 0.25 115.11 123.75 3h45 h GLN 423 Ca 0.26 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 3h45 h GLN 423 Cb 0.25 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 3h45 h GLN 423 CO -0.02 0.52 -0.09 0.00 -2.65 0.00 0.00 178.83 176.59 3h45 h ALA 424 N 1.28 0.28 -0.73 3.38 0.00 -0.47 -0.97 119.26 122.02 3h45 h ALA 424 Ca 0.26 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3h45 h ALA 424 Cb 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3h45 h ALA 424 CO -0.10 0.11 0.49 -0.44 0.00 0.00 0.00 179.25 179.30 3h45 h ASP 425 N 0.12 0.79 0.83 0.00 3.32 -0.10 0.88 116.42 122.26 3h45 h ASP 425 Ca 0.05 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.86 3h45 h ASP 425 Cb 0.57 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3h45 h ASP 425 CO 0.03 0.55 -1.02 0.40 -1.72 0.00 0.00 179.24 177.49 3h45 h ILE 426 N 0.92 1.62 0.00 0.35 5.03 -0.85 -3.30 117.51 121.28 3h45 h ILE 426 Ca 0.29 -3.15 -0.18 0.00 -0.12 0.00 0.00 64.86 61.70 3h45 h ILE 426 Cb 0.01 2.77 -0.03 0.00 -3.03 0.00 0.00 36.82 36.54 3h45 h ILE 426 CO -0.08 0.91 -0.97 -0.07 -0.68 0.00 0.00 178.15 177.26 3h45 h LEU 427 N 0.03 0.00 -0.52 1.44 3.38 -0.85 -3.48 115.31 115.31 3h45 h LEU 427 Ca -0.04 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.60 3h45 h LEU 427 Cb 1.74 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.59 3h45 h LEU 427 CO 0.14 0.78 -0.53 -0.67 0.09 0.00 0.00 178.44 178.26 3h45 n ASP 428 N -3.22 -5.47 -3.46 -0.43 2.03 0.27 -5.00 116.55 101.28 3h45 n ASP 428 Ca -0.03 -0.39 -0.16 0.00 0.52 0.00 0.00 54.79 54.74 3h45 n ASP 428 Cb 0.87 -4.12 -0.07 0.00 -0.72 0.00 0.00 41.12 37.08 3h45 n ASP 428 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3h45 s ILE 429 N -3.21 0.00 0.17 5.18 -4.36 -1.23 -4.94 121.20 112.80 3h45 s ILE 429 Ca 0.42 -1.81 -0.21 0.00 -0.26 0.00 0.00 60.65 58.80 3h45 s ILE 429 Cb -0.19 -2.54 -0.08 0.00 1.25 0.00 0.00 42.46 40.90 3h45 s ILE 429 CO 0.52 0.00 0.69 -1.81 0.24 0.00 0.00 174.94 174.58 3h45 s ASP 430 N -3.27 7.13 -0.16 4.36 1.11 -0.76 -3.96 116.67 121.12 3h45 s ASP 430 Ca 0.35 1.42 0.01 0.00 0.18 0.00 0.00 52.55 54.51 3h45 s ASP 430 Cb 0.02 -2.42 0.02 0.00 1.07 0.00 0.00 42.92 41.61 3h45 s ASP 430 CO 0.22 0.14 -0.17 -0.69 1.18 0.00 0.00 175.17 175.84 3h45 s VAL 431 N -1.33 1.79 -0.21 -1.27 1.01 -0.60 -1.23 120.40 118.56 3h45 s VAL 431 Ca 0.38 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3h45 s VAL 431 Cb -0.19 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.56 3h45 s VAL 431 CO 0.22 0.50 -0.11 -1.58 0.00 0.00 0.00 175.10 174.13 3h45 s GLN 432 N 1.33 3.08 -0.16 2.72 0.74 0.31 -0.83 119.66 126.84 3h45 s GLN 432 Ca 0.03 -0.80 -0.20 0.00 0.05 0.00 0.00 55.36 54.45 3h45 s GLN 432 Cb -0.13 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 3h45 s GLN 432 CO -0.10 -0.26 0.56 0.50 -0.55 0.00 0.00 175.29 175.44 3h45 s ARG 433 N 1.36 4.27 0.41 1.67 3.52 -0.43 -1.07 118.95 128.69 3h45 s ARG 433 Ca 0.04 0.54 -0.24 0.00 -0.13 0.00 0.00 55.73 55.93 3h45 s ARG 433 Cb -0.14 -3.52 -0.11 0.00 -1.56 0.00 0.00 34.95 29.62 3h45 s ARG 433 CO -0.07 -0.07 0.91 0.00 -0.81 0.00 0.00 175.30 175.26 3h45 n ALA 434 N 4.44 -0.22 -0.07 6.12 0.00 -0.76 -3.18 120.51 126.85 3h45 n ALA 434 Ca -0.04 0.22 -0.03 0.00 0.00 0.00 0.00 53.44 53.59 3h45 n ALA 434 Cb 0.51 -2.01 0.20 0.00 0.00 0.00 0.00 19.45 18.15 3h45 n ALA 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h45 h ALA 435 N 1.38 1.18 -2.92 0.00 0.00 -1.90 -3.32 119.26 113.69 3h45 h ALA 435 Ca -0.43 -0.25 -0.76 0.00 0.00 0.00 0.00 54.91 53.46 3h45 h ALA 435 Cb 1.35 -0.18 -0.29 0.00 0.00 0.00 0.00 17.79 18.68 3h45 h ALA 435 CO 0.56 0.53 -0.02 1.21 0.00 0.00 0.00 179.25 181.53 3h45 s ASN 436 N -6.68 6.37 0.44 0.00 3.84 -1.26 -4.94 114.94 112.70 3h45 s ASN 436 Ca -0.09 -2.77 0.24 0.00 0.21 0.00 0.00 52.86 50.46 3h45 s ASN 436 Cb 0.15 -2.11 1.25 0.00 -0.55 0.00 0.00 41.25 39.98 3h45 s ASN 436 CO 0.80 -0.51 1.77 -0.07 -2.79 0.00 0.00 177.10 176.30 3h45 h LEU 437 N 7.54 0.31 -5.36 3.21 3.38 -1.96 -2.98 115.31 119.44 3h45 h LEU 437 Ca 0.08 0.06 -0.69 0.00 0.09 0.00 0.00 57.88 57.43 3h45 h LEU 437 Cb 1.01 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3h45 h LEU 437 CO 0.74 0.04 3.53 -1.84 0.09 0.00 0.00 178.44 181.01 3h45 n GLU 438 N -4.51 3.51 0.23 1.13 0.00 -1.26 -2.73 120.64 117.00 3h45 n GLU 438 Ca 0.26 -2.42 0.12 0.00 0.00 0.00 0.00 57.16 55.12 3h45 n GLU 438 Cb 1.01 -2.94 0.35 0.00 0.00 0.00 0.00 31.44 29.87 3h45 n GLU 438 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 3h45 h THR 439 N 3.29 0.24 0.10 3.84 1.35 -1.89 -2.70 112.91 117.13 3h45 h THR 439 Ca 0.77 -1.06 -0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3h45 h THR 439 Cb 0.39 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3h45 h THR 439 CO 1.80 0.11 -0.05 0.74 -0.25 0.00 0.00 175.52 177.88 3h45 h THR 440 N 0.00 1.01 -0.36 6.82 2.02 -1.81 0.39 112.91 120.98 3h45 h THR 440 Ca -0.00 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 3h45 h THR 440 Cb 0.87 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3h45 h THR 440 CO 0.02 0.09 -0.06 0.00 0.37 0.00 0.00 175.52 175.93 3h45 h ALA 441 N 0.58 0.50 -0.92 6.16 0.00 -1.90 -2.68 119.26 121.00 3h45 h ALA 441 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3h45 h ALA 441 Cb 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3h45 h ALA 441 CO 0.02 0.32 0.61 1.25 0.00 0.00 0.00 179.25 181.46 3h45 h LEU 442 N 0.48 1.05 -0.96 0.00 5.85 -1.38 -0.41 115.31 119.94 3h45 h LEU 442 Ca 0.09 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3h45 h LEU 442 Cb 0.56 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3h45 h LEU 442 CO 0.03 0.75 -0.02 1.23 -0.34 0.00 0.00 178.44 180.10 3h45 h GLY 443 N 1.24 0.80 2.00 3.75 0.00 -0.11 -1.46 103.07 109.29 3h45 h GLY 443 Ca 0.34 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3h45 h GLY 443 CO -0.08 0.49 -0.18 0.00 0.00 0.00 0.00 176.54 176.77 3h45 h ALA 444 N 1.29 0.99 0.00 3.60 0.00 -1.00 -2.18 119.26 121.96 3h45 h ALA 444 Ca 0.14 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3h45 h ALA 444 Cb 0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3h45 h ALA 444 CO 0.02 0.22 -0.79 0.00 0.00 0.00 0.00 179.25 178.70 3h45 h ALA 445 N 1.82 0.65 -0.03 0.00 0.00 -0.25 -2.91 119.26 118.54 3h45 h ALA 445 Ca -0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 3h45 h ALA 445 Cb 0.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h45 h ALA 445 CO 0.02 0.99 -0.07 1.88 0.00 0.00 0.00 179.25 182.08 3h45 h TYR 446 N 0.00 0.13 -0.44 0.00 0.05 -0.72 -0.06 116.97 115.93 3h45 h TYR 446 Ca -0.01 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.79 3h45 h TYR 446 Cb 1.44 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 39.10 3h45 h TYR 446 CO 0.00 0.67 0.10 -0.07 -1.05 0.00 0.00 178.16 177.81 3h45 h LEU 447 N -0.45 0.03 -0.65 3.88 3.38 -1.47 -0.42 115.31 119.62 3h45 h LEU 447 Ca -0.00 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3h45 h LEU 447 Cb 0.67 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3h45 h LEU 447 CO 0.02 0.05 -0.08 0.00 0.09 0.00 0.00 178.44 178.51 3h45 h ALA 448 N 1.33 0.85 0.17 1.53 0.00 -1.53 -2.60 119.26 119.02 3h45 h ALA 448 Ca 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3h45 h ALA 448 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h45 h ALA 448 CO -0.27 0.65 -0.08 0.78 0.00 0.00 0.00 179.25 180.33 3h45 h GLY 449 N 0.96 -0.24 1.02 0.00 0.00 -0.24 -2.22 103.07 102.35 3h45 h GLY 449 Ca 0.14 0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.60 3h45 h GLY 449 CO 0.04 -0.09 0.57 1.41 0.00 0.00 0.00 176.54 178.47 3h45 h LEU 450 N -0.35 0.93 -1.14 3.11 3.38 -1.12 0.40 115.31 120.51 3h45 h LEU 450 Ca -0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3h45 h LEU 450 Cb 0.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3h45 h LEU 450 CO 0.04 0.64 0.18 0.00 0.09 0.00 0.00 178.44 179.39 3h45 h ALA 451 N 1.49 1.32 -0.60 1.53 0.00 -1.25 -1.89 119.26 119.86 3h45 h ALA 451 Ca 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h45 h ALA 451 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3h45 h ALA 451 CO -0.10 0.50 0.00 1.33 0.00 0.00 0.00 179.25 180.97 3h45 n VAL 452 N -4.32 2.23 -0.74 0.00 0.24 -0.80 -4.76 118.33 110.18 3h45 n VAL 452 Ca 0.04 -1.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.09 3h45 n VAL 452 Cb 0.18 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 3h45 n VAL 452 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h45 n GLY 453 N 0.89 0.22 0.44 7.63 0.00 -0.50 -4.80 105.19 109.07 3h45 n GLY 453 Ca 0.26 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.55 3h45 n GLY 453 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h45 h PHE 454 N 0.00 0.48 -4.20 1.61 3.57 -0.51 -3.37 116.94 114.52 3h45 h PHE 454 Ca 0.00 0.02 -0.51 0.00 3.53 0.00 0.00 57.97 61.01 3h45 h PHE 454 Cb 0.22 -0.14 -0.28 0.00 2.79 0.00 0.00 35.95 38.54 3h45 h PHE 454 CO 0.14 0.02 -0.82 -1.58 -2.23 0.00 0.00 178.31 173.84 3h45 s TRP 455 N -5.34 1.41 0.00 0.41 0.51 -1.19 -4.97 118.94 109.77 3h45 s TRP 455 Ca -0.08 -0.29 0.00 0.00 -2.12 0.00 0.00 56.10 53.61 3h45 s TRP 455 Cb 0.25 -0.88 0.00 0.00 -0.81 0.00 0.00 33.47 32.03 3h45 s TRP 455 CO 0.80 0.00 0.60 1.17 -0.51 0.00 0.00 176.95 179.02 3h45 n LYS 456 N 2.43 0.00 -2.11 4.98 4.81 -1.26 -4.34 118.16 122.67 3h45 n LYS 456 Ca -0.15 0.17 -0.03 0.00 -0.87 0.00 0.00 58.31 57.42 3h45 n LYS 456 Cb 0.54 -1.10 -0.01 0.00 0.02 0.00 0.00 35.03 34.49 3h45 n LYS 456 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3h45 n ASP 457 N -0.89 -0.36 0.20 3.14 5.75 -1.26 -4.91 116.55 118.22 3h45 n ASP 457 Ca 0.00 -1.46 0.08 0.00 -0.01 0.00 0.00 54.79 53.40 3h45 n ASP 457 Cb 0.00 0.67 0.41 0.00 -1.03 0.00 0.00 41.12 41.16 3h45 n ASP 457 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3h45 h LEU 458 N 0.00 0.00 -0.07 -2.12 4.07 -2.00 -1.80 115.31 113.39 3h45 h LEU 458 Ca -0.07 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 3h45 h LEU 458 Cb 0.30 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 3h45 h LEU 458 CO 0.09 0.00 -0.12 0.44 -1.08 0.00 0.00 178.44 177.77 3h45 h ASP 459 N 0.00 0.23 -0.54 -0.43 5.19 -1.98 -2.04 116.42 116.84 3h45 h ASP 459 Ca 0.00 -0.54 0.02 0.00 -0.62 0.00 0.00 57.03 55.89 3h45 h ASP 459 Cb 0.74 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.15 3h45 h ASP 459 CO 0.00 0.73 0.33 -0.33 -3.12 0.00 0.00 179.24 176.85 3h45 h GLU 460 N -0.26 0.63 -0.70 3.56 5.08 -1.74 0.15 114.58 121.31 3h45 h GLU 460 Ca 0.01 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3h45 h GLU 460 Cb 0.68 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3h45 h GLU 460 CO 0.03 0.42 0.41 -0.07 -1.00 0.00 0.00 179.01 178.79 3h45 h LEU 461 N 0.65 0.63 -1.65 1.33 3.38 -1.58 0.21 115.31 118.28 3h45 h LEU 461 Ca 0.22 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 3h45 h LEU 461 Cb 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3h45 h LEU 461 CO -0.10 0.41 -0.20 0.50 0.09 0.00 0.00 178.44 179.14 3h45 h LYS 462 N 0.76 0.00 0.14 1.13 3.11 -0.56 -3.26 116.57 117.89 3h45 h LYS 462 Ca 0.31 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.14 3h45 h LYS 462 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 3h45 h LYS 462 CO -0.17 0.20 -0.07 0.77 -2.81 0.00 0.00 179.45 177.38 3h45 h SER 463 N 0.00 -0.16 0.00 4.20 0.02 0.14 -3.31 113.55 114.43 3h45 h SER 463 Ca -0.00 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.81 3h45 h SER 463 Cb 0.42 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3h45 h SER 463 CO 0.03 -0.10 0.72 1.15 -1.14 0.00 0.00 176.83 177.48 3h45 n MET 464 N -2.60 1.12 -4.02 3.45 0.00 -0.85 -4.76 117.12 109.47 3h45 n MET 464 Ca -0.02 -0.68 -0.31 0.00 0.00 0.00 0.00 57.70 56.68 3h45 n MET 464 Cb 0.08 -1.91 -0.15 0.00 0.00 0.00 0.00 33.22 31.24 3h45 n MET 464 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3h45 s ALA 465 N 2.56 2.52 -0.57 3.17 0.00 -1.25 -5.01 121.76 123.18 3h45 s ALA 465 Ca 0.31 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.34 3h45 s ALA 465 Cb 0.13 -1.68 0.51 0.00 0.00 0.00 0.00 23.12 22.08 3h45 s ALA 465 CO -0.01 -1.37 1.92 -0.85 0.00 0.00 0.00 175.76 175.45 3h45 n GLU 466 N 4.44 2.59 0.00 0.00 0.00 -1.26 -5.05 120.64 121.36 3h45 n GLU 466 Ca -0.08 -3.27 0.00 0.00 0.00 0.00 0.00 57.16 53.81 3h45 n GLU 466 Cb 0.42 -2.24 0.00 0.00 0.00 0.00 0.00 31.44 29.63 3h45 n GLU 466 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h45 n GLU 467 N -0.98 0.00 0.00 3.44 -0.58 -1.26 -4.96 120.64 116.30 3h45 n GLU 467 Ca 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 3h45 n GLU 467 Cb 0.97 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.84 3h45 n GLU 467 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h45 n GLY 468 N 0.00 0.09 3.75 0.62 0.00 -1.26 -3.15 105.19 105.24 3h45 n GLY 468 Ca 0.00 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3h45 n GLY 468 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h45 s GLN 469 N -2.00 4.17 0.23 1.61 0.74 -1.19 -4.78 119.66 118.44 3h45 s GLN 469 Ca 0.00 2.48 0.09 0.00 0.05 0.00 0.00 55.36 57.98 3h45 s GLN 469 Cb 0.00 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 3h45 s GLN 469 CO 0.00 -0.55 -0.02 1.41 -0.55 0.00 0.00 175.29 175.58 3h45 s MET 470 N -0.51 2.28 -0.05 1.67 -2.45 -1.26 -1.31 119.30 117.66 3h45 s MET 470 Ca 0.61 -1.32 0.01 0.00 -1.25 0.00 0.00 55.69 53.74 3h45 s MET 470 Cb -0.46 -2.21 0.02 0.00 1.25 0.00 0.00 34.83 33.44 3h45 s MET 470 CO 0.47 0.40 -0.05 -0.06 1.05 0.00 0.00 175.02 176.83 3h45 s PHE 471 N -2.07 0.83 0.06 4.11 0.08 -0.01 -4.99 117.98 115.98 3h45 s PHE 471 Ca 0.29 -0.26 0.08 0.00 0.12 0.00 0.00 56.93 57.17 3h45 s PHE 471 Cb -0.07 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 3h45 s PHE 471 CO 0.19 -0.24 -0.20 0.95 -0.10 0.00 0.00 175.22 175.82 3h45 s THR 472 N 1.10 2.65 -0.01 0.64 -4.23 -1.26 -1.55 115.64 112.97 3h45 s THR 472 Ca -0.08 -1.30 -0.34 0.00 -1.18 0.00 0.00 61.69 58.79 3h45 s THR 472 Cb -0.14 -2.12 -0.12 0.00 1.34 0.00 0.00 72.50 71.46 3h45 s THR 472 CO -0.01 0.30 1.81 -0.81 -0.54 0.00 0.00 174.62 175.37 3h45 n PRO 473 N 1.45 2.23 -2.61 3.99 -0.04 -1.25 -4.77 135.00 134.00 3h45 n PRO 473 Ca -0.16 0.81 -0.06 0.00 -0.04 0.00 0.00 63.50 64.05 3h45 n PRO 473 Cb 0.52 -2.65 0.04 0.00 -0.04 0.00 0.00 33.50 31.38 3h45 n PRO 473 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3h45 n GLU 474 N 5.86 2.16 -4.09 0.54 0.28 -1.26 -4.99 120.64 119.14 3h45 n GLU 474 Ca 0.21 -3.64 -0.27 0.00 -0.16 0.00 0.00 57.16 53.29 3h45 n GLU 474 Cb 0.30 -1.75 -0.17 0.00 1.43 0.00 0.00 31.44 31.26 3h45 n GLU 474 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 3h45 s MET 475 N -3.69 1.73 0.45 3.44 1.75 -1.26 -5.07 119.30 116.65 3h45 s MET 475 Ca 0.33 -0.35 -0.23 0.00 -1.25 0.00 0.00 55.69 54.19 3h45 s MET 475 Cb 0.34 -1.66 -0.10 0.00 2.84 0.00 0.00 34.83 36.26 3h45 s MET 475 CO -0.02 -0.19 0.84 -0.35 -0.65 0.00 0.00 175.02 174.64 3h45 n PRO 476 N 4.64 1.00 -0.09 4.11 -0.04 -1.26 -4.72 135.00 138.65 3h45 n PRO 476 Ca -0.16 0.37 -0.06 0.00 -0.04 0.00 0.00 63.50 63.61 3h45 n PRO 476 Cb 0.50 -1.88 -0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3h45 n PRO 476 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h45 h ALA 477 N 1.10 0.17 -0.19 0.55 0.00 -1.98 -1.60 119.26 117.31 3h45 h ALA 477 Ca -0.44 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.62 3h45 h ALA 477 Cb 1.36 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 3h45 h ALA 477 CO 0.54 -0.49 -0.34 1.49 0.00 0.00 0.00 179.25 180.44 3h45 h GLU 478 N -0.04 -0.28 0.11 0.00 4.81 -2.00 -0.46 114.58 116.72 3h45 h GLU 478 Ca 0.16 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3h45 h GLU 478 Cb 0.28 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 3h45 h GLU 478 CO -0.35 -0.19 -0.29 1.49 -0.73 0.00 0.00 179.01 178.94 3h45 h GLU 479 N -0.29 -0.48 -0.95 1.92 4.81 -1.92 -0.99 114.58 116.67 3h45 h GLU 479 Ca 0.04 0.03 0.24 0.00 -0.13 0.00 0.00 59.36 59.53 3h45 h GLU 479 Cb 0.39 0.11 -0.18 0.00 0.63 0.00 0.00 28.75 29.70 3h45 h GLU 479 CO -0.33 -0.32 -0.05 -0.09 -0.73 0.00 0.00 179.01 177.48 3h45 h ARG 480 N -0.50 0.02 0.07 1.92 2.43 -0.86 0.29 114.38 117.75 3h45 h ARG 480 Ca 0.03 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.96 3h45 h ARG 480 Cb 0.54 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3h45 h ARG 480 CO -0.18 0.01 -1.09 -0.44 -1.51 0.00 0.00 179.97 176.77 3h45 h ASP 481 N 0.02 0.34 -0.30 -3.80 3.32 -0.71 -3.14 116.42 112.15 3h45 h ASP 481 Ca 0.54 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3h45 h ASP 481 Cb 1.01 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3h45 h ASP 481 CO -0.91 1.21 0.18 0.78 -1.72 0.00 0.00 179.24 178.77 3h45 h ASN 482 N 0.09 0.29 -0.24 6.45 2.35 0.38 -1.14 115.58 123.76 3h45 h ASN 482 Ca -0.09 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3h45 h ASN 482 Cb 1.79 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 40.08 3h45 h ASN 482 CO 0.17 0.21 0.10 -0.07 -1.65 0.00 0.00 177.43 176.19 3h45 h LEU 483 N 0.36 0.13 -1.12 1.61 3.38 -1.34 -1.81 115.31 116.52 3h45 h LEU 483 Ca 0.12 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3h45 h LEU 483 Cb -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3h45 h LEU 483 CO -0.05 0.11 -0.32 0.22 0.09 0.00 0.00 178.44 178.49 3h45 h TYR 484 N 0.22 0.00 -0.18 1.13 3.20 -1.48 -2.56 116.97 117.30 3h45 h TYR 484 Ca 0.10 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3h45 h TYR 484 Cb 0.05 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 3h45 h TYR 484 CO -0.11 0.32 -0.10 1.49 -1.64 0.00 0.00 178.16 178.12 3h45 h GLU 485 N 0.00 0.39 -0.87 1.82 4.57 -0.69 -1.62 114.58 118.17 3h45 h GLU 485 Ca -0.00 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 3h45 h GLU 485 Cb 0.78 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 3h45 h GLU 485 CO 0.04 0.69 0.50 0.78 -1.18 0.00 0.00 179.01 179.84 3h45 h GLY 486 N 0.07 1.29 0.71 1.92 0.00 -1.21 -1.52 103.07 104.33 3h45 h GLY 486 Ca 0.04 -0.56 0.05 0.00 0.00 0.00 0.00 47.33 46.85 3h45 h GLY 486 CO 0.03 0.54 0.24 -0.25 0.00 0.00 0.00 176.54 177.10 3h45 h TRP 487 N 1.21 0.44 -0.21 5.60 2.91 -1.32 0.22 115.95 124.80 3h45 h TRP 487 Ca 0.31 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.40 3h45 h TRP 487 Cb -0.01 -0.13 -0.07 0.00 -0.51 0.00 0.00 29.16 28.45 3h45 h TRP 487 CO 0.00 0.21 -0.43 -0.22 -1.03 0.00 0.00 178.44 176.98 3h45 h LYS 488 N 0.47 -0.43 -0.58 2.65 1.63 -0.31 -0.53 116.57 119.47 3h45 h LYS 488 Ca 0.22 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 3h45 h LYS 488 Cb 0.14 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 3h45 h LYS 488 CO -0.16 -0.29 0.32 1.96 -3.45 0.00 0.00 179.45 177.83 3h45 h GLN 489 N -0.45 0.80 0.44 1.90 4.20 -0.73 -0.25 115.11 121.03 3h45 h GLN 489 Ca 0.09 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3h45 h GLN 489 Cb 0.62 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 3h45 h GLN 489 CO -0.45 0.59 -0.25 0.00 -0.67 0.00 0.00 178.83 178.04 3h45 h ALA 490 N 1.55 -0.65 -0.67 3.87 0.00 0.71 0.38 119.26 124.45 3h45 h ALA 490 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3h45 h ALA 490 Cb 0.02 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3h45 h ALA 490 CO -0.03 -0.88 0.39 0.28 0.00 0.00 0.00 179.25 179.01 3h45 h VAL 491 N -0.65 1.20 -0.21 0.00 2.07 -0.94 0.31 116.25 118.02 3h45 h VAL 491 Ca -0.05 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.06 3h45 h VAL 491 Cb 0.53 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 3h45 h VAL 491 CO 0.06 0.21 -0.17 0.00 0.02 0.00 0.00 177.57 177.70 3h45 h ALA 492 N 1.20 -0.02 -0.67 1.67 0.00 -0.70 0.17 119.26 120.90 3h45 h ALA 492 Ca 0.24 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3h45 h ALA 492 Cb -0.00 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3h45 h ALA 492 CO -0.04 -0.59 0.12 0.00 0.00 0.00 0.00 179.25 178.73 3h45 h ALA 493 N 0.95 0.93 -0.62 0.00 0.00 0.21 -2.42 119.26 118.31 3h45 h ALA 493 Ca 0.13 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3h45 h ALA 493 Cb 0.36 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3h45 h ALA 493 CO -0.32 0.67 0.41 1.15 0.00 0.00 0.00 179.25 181.16 3h45 h THR 494 N 1.04 1.01 0.00 0.00 2.02 0.73 -1.63 112.91 116.09 3h45 h THR 494 Ca 0.21 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3h45 h THR 494 Cb 0.43 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3h45 h THR 494 CO 0.01 0.12 -0.14 1.56 0.37 0.00 0.00 175.52 177.44 3h45 h GLN 495 N 0.63 0.00 0.00 6.66 4.20 -0.20 -3.10 115.11 123.30 3h45 h GLN 495 Ca 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 3h45 h GLN 495 Cb 0.25 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3h45 h GLN 495 CO -0.08 0.14 -0.00 1.79 -0.67 0.00 0.00 178.83 180.01 3h45 h THR 496 N 0.00 0.01 -2.22 -0.54 1.35 -1.14 -3.41 112.91 106.95 3h45 h THR 496 Ca -0.00 -0.66 -0.62 0.00 -0.55 0.00 0.00 66.41 64.57 3h45 h THR 496 Cb 0.79 1.66 -0.13 0.00 -1.73 0.00 0.00 68.15 68.74 3h45 h THR 496 CO 0.02 0.00 0.91 0.12 -0.25 0.00 0.00 175.52 176.32 3h45 s PHE 497 N -3.53 2.69 -0.48 4.73 5.36 -1.17 -4.88 117.98 120.70 3h45 s PHE 497 Ca 0.03 -0.75 0.07 0.00 -0.96 0.00 0.00 56.93 55.33 3h45 s PHE 497 Cb 0.08 -4.43 0.38 0.00 -0.34 0.00 0.00 43.02 38.70 3h45 s PHE 497 CO 0.58 -1.74 0.97 1.63 -1.46 0.00 0.00 175.22 175.20 3h45 n LYS 498 N 7.93 2.80 0.00 10.12 4.76 -1.26 -4.69 118.16 137.82 3h45 n LYS 498 Ca 0.12 -4.40 0.00 0.00 -2.87 0.00 0.00 58.31 51.17 3h45 n LYS 498 Cb 0.48 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 3h45 n LYS 498 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3h45 n PHE 499 N -0.24 0.00 -2.46 2.13 7.35 -1.26 -5.01 117.46 117.97 3h45 n PHE 499 Ca 0.31 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.97 3h45 n PHE 499 Cb 0.56 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.37 3h45 n PHE 499 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 3h45 n LYS 500 N -0.24 -5.04 -1.88 -4.13 4.81 -1.26 -4.89 118.16 105.53 3h45 n LYS 500 Ca 0.00 3.70 -0.40 0.00 -0.87 0.00 0.00 58.31 60.73 3h45 n LYS 500 Cb 0.00 -4.93 -0.00 0.00 0.02 0.00 0.00 35.03 30.12 3h45 n LYS 500 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3h45 s ALA 501 N -0.63 3.44 -2.75 3.14 0.00 -1.26 -5.33 121.76 118.36 3h45 s ALA 501 Ca -0.12 1.46 0.26 0.00 0.00 0.00 0.00 51.96 53.55 3h45 s ALA 501 Cb 0.01 -3.57 0.62 0.00 0.00 0.00 0.00 23.12 20.18 3h45 s ALA 501 CO 0.34 -1.00 1.50 1.63 0.00 0.00 0.00 175.76 178.24