#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h12 s LEU 3 N 0.00 3.31 -0.06 -3.43 1.43 -1.26 -5.06 118.68 113.61 3h12 s LEU 3 Ca 0.00 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.02 3h12 s LEU 3 Cb 0.00 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.46 3h12 s LEU 3 CO 0.00 -0.94 -0.10 -0.54 0.23 0.00 0.00 176.35 175.01 3h12 s LYS 4 N -4.98 1.43 0.19 1.70 1.02 -1.26 -3.98 119.74 113.85 3h12 s LYS 4 Ca 0.53 -0.32 -0.31 0.00 0.02 0.00 0.00 55.97 55.88 3h12 s LYS 4 Cb -0.11 -1.22 -0.10 0.00 -0.52 0.00 0.00 37.83 35.88 3h12 s LYS 4 CO 0.47 -0.00 1.52 0.42 -0.92 0.00 0.00 175.35 176.84 3h12 s ILE 5 N 0.72 2.66 -0.07 2.17 1.01 0.24 -0.70 121.20 127.22 3h12 s ILE 5 Ca -0.14 0.49 0.09 0.00 0.00 0.00 0.00 60.65 61.10 3h12 s ILE 5 Cb -0.15 -3.32 -0.13 0.00 0.01 0.00 0.00 42.46 38.87 3h12 s ILE 5 CO 0.03 0.05 0.09 0.35 0.00 0.00 0.00 174.94 175.45 3h12 n THR 6 N 3.51 0.48 -3.60 2.92 -2.24 0.76 -0.75 114.28 115.37 3h12 n THR 6 Ca 0.12 -0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 3h12 n THR 6 Cb 0.39 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.08 3h12 n THR 6 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h12 s GLU 7 N -2.37 0.93 -0.24 -0.78 2.02 -1.18 -4.91 118.70 112.17 3h12 s GLU 7 Ca -0.04 0.08 0.01 0.00 0.02 0.00 0.00 54.97 55.04 3h12 s GLU 7 Cb 0.04 0.43 0.06 0.00 0.10 0.00 0.00 34.13 34.76 3h12 s GLU 7 CO 0.41 -0.29 -0.07 0.08 0.02 0.00 0.00 175.26 175.41 3h12 s VAL 8 N -1.32 1.68 0.07 2.63 1.01 -1.26 -0.85 120.40 122.36 3h12 s VAL 8 Ca -0.11 -1.32 0.06 0.00 0.00 0.00 0.00 61.98 60.61 3h12 s VAL 8 Cb -0.02 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3h12 s VAL 8 CO 0.07 -0.08 -0.09 -0.54 0.00 0.00 0.00 175.10 174.46 3h12 s LYS 9 N 1.33 2.25 -0.21 2.72 1.02 -0.00 -4.54 119.74 122.30 3h12 s LYS 9 Ca -0.07 -0.94 -0.01 0.00 0.02 0.00 0.00 55.97 54.97 3h12 s LYS 9 Cb -0.19 -2.36 0.06 0.00 -0.52 0.00 0.00 37.83 34.82 3h12 s LYS 9 CO -0.06 0.53 -0.01 0.00 -0.92 0.00 0.00 175.35 174.90 3h12 s ALA 10 N -1.15 1.41 -0.32 5.17 0.00 -1.26 -0.87 121.76 124.73 3h12 s ALA 10 Ca 0.20 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 3h12 s ALA 10 Cb -0.11 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 3h12 s ALA 10 CO 0.12 -1.14 0.49 -1.01 0.00 0.00 0.00 175.76 174.22 3h12 s HIS 11 N 1.66 3.20 -0.07 0.00 3.76 0.05 -4.90 115.29 118.99 3h12 s HIS 11 Ca -0.03 0.27 -0.28 0.00 -0.15 0.00 0.00 55.06 54.87 3h12 s HIS 11 Cb -0.18 -2.83 -0.02 0.00 1.11 0.00 0.00 32.58 30.66 3h12 s HIS 11 CO -0.07 -0.45 0.94 0.00 -0.85 0.00 0.00 174.74 174.31 3h12 s ALA 12 N 2.32 3.33 0.08 -1.40 0.00 -1.26 -1.21 121.76 123.61 3h12 s ALA 12 Ca 0.18 0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.57 3h12 s ALA 12 Cb -0.16 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3h12 s ALA 12 CO 0.12 -0.43 -0.18 -0.51 0.00 0.00 0.00 175.76 174.76 3h12 s LEU 13 N 1.55 2.27 -0.01 0.00 1.43 -0.08 -0.97 118.68 122.87 3h12 s LEU 13 Ca 0.47 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3h12 s LEU 13 Cb -0.19 -0.75 -0.00 0.00 0.03 0.00 0.00 46.19 45.28 3h12 s LEU 13 CO 0.21 0.02 0.07 -0.55 0.23 0.00 0.00 176.35 176.32 3h12 s SER 14 N -1.74 0.03 0.02 2.29 0.15 -0.51 -1.89 113.70 112.05 3h12 s SER 14 Ca 0.03 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.58 3h12 s SER 14 Cb -0.10 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.36 3h12 s SER 14 CO 0.03 -0.19 -0.06 0.42 1.20 0.00 0.00 173.24 174.63 3h12 s THR 15 N -0.75 0.46 0.48 6.45 -4.23 0.15 -4.74 115.64 113.46 3h12 s THR 15 Ca -0.08 -0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 3h12 s THR 15 Cb -0.05 -0.48 -0.02 0.00 1.34 0.00 0.00 72.50 73.29 3h12 s THR 15 CO 0.00 -0.19 0.75 -2.16 -0.54 0.00 0.00 174.62 172.49 3h12 s PRO 16 N -0.98 3.36 -0.10 3.99 0.04 -1.26 -0.74 135.00 139.31 3h12 s PRO 16 Ca -0.05 -0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.00 3h12 s PRO 16 Cb -0.07 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 32.06 3h12 s PRO 16 CO 0.00 -0.24 -0.17 0.42 0.04 0.00 0.00 177.00 177.04 3h12 s ILE 17 N -2.70 1.63 0.26 0.56 1.01 -1.23 -4.70 121.20 116.03 3h12 s ILE 17 Ca 0.47 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 3h12 s ILE 17 Cb -0.10 -1.45 -0.14 0.00 0.01 0.00 0.00 42.46 40.78 3h12 s ILE 17 CO 0.43 0.46 1.22 -2.65 0.00 0.00 0.00 174.94 174.40 3h12 n PRO 18 N 3.95 1.68 -0.28 2.79 -0.02 -1.26 -4.80 135.00 137.06 3h12 n PRO 18 Ca -0.20 0.59 0.02 0.00 -2.02 0.00 0.00 63.50 61.90 3h12 n PRO 18 Cb 0.52 -2.12 0.09 0.00 -0.02 0.00 0.00 33.50 31.97 3h12 n PRO 18 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3h12 h GLU 19 N 3.04 -0.01 0.00 -0.52 4.39 -1.97 0.26 114.58 119.77 3h12 h GLU 19 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3h12 h GLU 19 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3h12 h GLU 19 CO 0.67 -0.01 0.00 2.89 -1.16 0.00 0.00 179.01 181.41 3h12 n ARG 20 N -5.52 0.11 -0.02 2.33 1.85 -1.26 -2.14 116.66 112.01 3h12 n ARG 20 Ca 0.11 0.29 0.12 0.00 -1.00 0.00 0.00 57.85 57.38 3h12 n ARG 20 Cb 0.41 -1.68 0.24 0.00 -1.05 0.00 0.00 32.46 30.37 3h12 n ARG 20 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 3h12 n MET 21 N -1.88 2.14 -2.44 2.89 2.81 0.88 -4.91 117.12 116.61 3h12 n MET 21 Ca 0.03 -1.66 -0.41 0.00 -1.81 0.00 0.00 57.70 53.86 3h12 n MET 21 Cb 0.24 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 3h12 n MET 21 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3h12 s ARG 22 N -1.96 4.57 0.23 0.03 0.52 -0.91 -4.66 118.95 116.78 3h12 s ARG 22 Ca 0.32 1.82 0.10 0.00 -0.52 0.00 0.00 55.73 57.45 3h12 s ARG 22 Cb 0.20 -3.22 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 3h12 s ARG 22 CO 0.31 0.07 -0.18 0.14 0.02 0.00 0.00 175.30 175.66 3h12 s VAL 23 N -0.59 2.13 -0.02 3.52 -7.23 -1.26 -4.93 120.40 112.01 3h12 s VAL 23 Ca 0.48 -2.23 0.06 0.00 -1.81 0.00 0.00 61.98 58.48 3h12 s VAL 23 Cb -0.32 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 3h12 s VAL 23 CO 0.39 -0.42 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.86 3h12 s GLU 24 N -3.36 1.62 0.03 4.82 2.12 -1.26 -0.79 118.70 121.88 3h12 s GLU 24 Ca 0.24 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.90 3h12 s GLU 24 Cb -0.04 -1.53 -0.00 0.00 0.26 0.00 0.00 34.13 32.82 3h12 s GLU 24 CO 0.11 0.39 0.01 -1.13 -0.54 0.00 0.00 175.26 174.09 3h12 n SER 25 N 2.70 0.65 0.08 -1.70 3.41 -1.08 -2.06 113.62 115.61 3h12 n SER 25 Ca -0.16 -1.16 0.09 0.00 -0.26 0.00 0.00 58.87 57.38 3h12 n SER 25 Cb 0.53 0.09 0.39 0.00 -0.26 0.00 0.00 64.21 64.96 3h12 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h12 n GLY 26 N 1.44 -1.04 0.17 5.00 0.00 -1.26 -1.01 105.19 108.49 3h12 n GLY 26 Ca -0.00 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3h12 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h12 h ALA 27 N 2.27 1.00 0.00 4.61 0.00 -1.90 0.16 119.26 125.40 3h12 h ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h12 h ALA 27 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3h12 h ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3h12 n GLY 28 N 0.97 1.23 3.64 0.00 0.00 -0.18 -3.90 105.19 106.95 3h12 n GLY 28 Ca 0.04 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 3h12 n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h12 s LEU 29 N 0.00 4.09 0.36 0.99 2.96 -1.26 -2.65 118.68 123.17 3h12 s LEU 29 Ca 0.00 0.80 -0.27 0.00 -0.22 0.00 0.00 54.13 54.44 3h12 s LEU 29 Cb 0.00 -2.92 -0.09 0.00 0.50 0.00 0.00 46.19 43.68 3h12 s LEU 29 CO 0.00 -0.36 1.25 -0.54 -1.32 0.00 0.00 176.35 175.38 3h12 s LYS 30 N 2.37 4.21 0.00 1.98 1.02 0.03 -0.68 119.74 128.68 3h12 s LYS 30 Ca 0.28 2.08 0.00 0.00 0.02 0.00 0.00 55.97 58.35 3h12 s LYS 30 Cb -0.16 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 3h12 s LYS 30 CO 0.09 -0.26 0.00 1.28 -0.92 0.00 0.00 175.35 175.54 3h12 n LEU 31 N 0.50 1.35 -3.75 3.17 4.77 0.04 -4.46 117.00 118.61 3h12 n LEU 31 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 3h12 n LEU 31 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 3h12 n LEU 31 CO 0.56 0.18 0.02 0.20 -1.33 0.00 0.00 177.39 177.02 3h12 s ASN 32 N -4.33 -0.35 -0.33 -1.43 0.01 -0.84 -3.51 114.94 104.15 3h12 s ASN 32 Ca 0.00 0.66 -0.21 0.00 -0.71 0.00 0.00 52.86 52.60 3h12 s ASN 32 Cb 0.00 0.68 -0.00 0.00 0.41 0.00 0.00 41.25 42.34 3h12 s ASN 32 CO 0.00 -0.14 0.67 -0.13 -1.51 0.00 0.00 177.10 175.98 3h12 s ARG 33 N 0.08 3.81 0.34 -0.60 1.81 0.09 -4.47 118.95 120.00 3h12 s ARG 33 Ca -0.01 0.25 0.09 0.00 -1.72 0.00 0.00 55.73 54.33 3h12 s ARG 33 Cb -0.03 -3.77 -0.06 0.00 -0.45 0.00 0.00 34.95 30.64 3h12 s ARG 33 CO 0.01 -0.67 -0.08 -0.65 -0.68 0.00 0.00 175.30 173.22 3h12 s GLN 34 N 2.74 1.78 0.18 3.54 -0.21 -1.26 -0.67 119.66 125.75 3h12 s GLN 34 Ca 0.26 -1.92 -0.23 0.00 0.02 0.00 0.00 55.36 53.50 3h12 s GLN 34 Cb -0.14 -1.60 0.06 0.00 1.00 0.00 0.00 33.01 32.32 3h12 s GLN 34 CO 0.14 0.11 0.63 0.00 -2.12 0.00 0.00 175.29 174.05 3h12 s MET 35 N -3.63 1.37 -0.23 2.91 0.23 -0.79 -4.83 119.30 114.32 3h12 s MET 35 Ca 0.32 -0.56 -0.12 0.00 -1.03 0.00 0.00 55.69 54.30 3h12 s MET 35 Cb 0.03 0.59 -0.05 0.00 -1.53 0.00 0.00 34.83 33.87 3h12 s MET 35 CO 0.16 -0.60 0.23 0.42 -2.03 0.00 0.00 175.02 173.19 3h12 s ILE 36 N -3.77 5.31 -0.44 3.16 -1.09 -1.26 -0.90 121.20 122.21 3h12 s ILE 36 Ca 0.03 0.33 -0.21 0.00 -2.23 0.00 0.00 60.65 58.57 3h12 s ILE 36 Cb -0.02 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.32 3h12 s ILE 36 CO -0.09 0.31 0.64 -0.22 -1.23 0.00 0.00 174.94 174.35 3h12 s LEU 37 N 1.17 4.52 0.23 2.97 2.96 -0.35 -4.14 118.68 126.04 3h12 s LEU 37 Ca 0.11 -0.36 -0.27 0.00 -0.22 0.00 0.00 54.13 53.39 3h12 s LEU 37 Cb -0.14 -2.71 -0.09 0.00 0.50 0.00 0.00 46.19 43.75 3h12 s LEU 37 CO 0.06 -0.77 0.86 -0.69 -1.32 0.00 0.00 176.35 174.49 3h12 s VAL 38 N 2.79 4.25 -0.09 1.68 1.01 0.12 -0.77 120.40 129.39 3h12 s VAL 38 Ca 0.22 1.83 -0.00 0.00 0.00 0.00 0.00 61.98 64.03 3h12 s VAL 38 Cb -0.14 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.11 3h12 s VAL 38 CO 0.19 0.41 -0.06 -0.70 0.00 0.00 0.00 175.10 174.94 3h12 s GLU 39 N -1.41 1.27 -0.23 2.72 2.12 -0.05 -1.69 118.70 121.42 3h12 s GLU 39 Ca 0.41 -0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 3h12 s GLU 39 Cb -0.23 -1.34 -0.02 0.00 0.26 0.00 0.00 34.13 32.80 3h12 s GLU 39 CO 0.27 -0.22 0.01 0.08 -0.54 0.00 0.00 175.26 174.86 3h12 s VAL 40 N 1.55 3.82 0.10 3.70 1.01 0.10 -0.82 120.40 129.85 3h12 s VAL 40 Ca 0.01 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3h12 s VAL 40 Cb -0.13 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3h12 s VAL 40 CO -0.05 0.39 0.13 -0.13 0.00 0.00 0.00 175.10 175.44 3h12 s ARG 41 N 1.48 3.04 0.33 2.72 0.52 -0.03 -1.46 118.95 125.54 3h12 s ARG 41 Ca 0.05 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 3h12 s ARG 41 Cb -0.15 -2.79 -0.06 0.00 0.52 0.00 0.00 34.95 32.47 3h12 s ARG 41 CO 0.00 0.56 0.02 0.95 0.02 0.00 0.00 175.30 176.84 3h12 s THR 42 N -1.51 1.46 0.56 0.02 -4.23 -1.18 -0.17 115.64 110.60 3h12 s THR 42 Ca 0.31 -2.04 0.43 0.00 -1.18 0.00 0.00 61.69 59.21 3h12 s THR 42 Cb -0.12 -2.73 0.44 0.00 1.34 0.00 0.00 72.50 71.43 3h12 s THR 42 CO 0.24 -0.09 2.30 -2.24 -0.54 0.00 0.00 174.62 174.29 3h12 h ASP 43 N 2.10 0.00 -0.54 3.99 2.03 -1.24 -2.29 116.42 120.48 3h12 h ASP 43 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 3h12 h ASP 43 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3h12 h ASP 43 CO 0.71 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 178.30 3h12 n GLU 44 N -3.08 2.90 -0.72 4.15 1.02 -1.26 -4.96 120.64 118.69 3h12 n GLU 44 Ca -0.02 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.69 3h12 n GLU 44 Cb 0.12 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3h12 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h12 n GLY 45 N 1.01 0.73 3.67 0.62 0.00 -0.86 -5.01 105.19 105.35 3h12 n GLY 45 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3h12 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h12 s VAL 46 N -2.62 4.64 -0.04 1.61 1.01 -1.26 -4.87 120.40 118.87 3h12 s VAL 46 Ca 0.00 1.95 0.07 0.00 0.00 0.00 0.00 61.98 64.00 3h12 s VAL 46 Cb 0.00 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 3h12 s VAL 46 CO 0.00 -0.08 -0.25 -0.89 0.00 0.00 0.00 175.10 173.87 3h12 s THR 47 N 2.65 2.03 0.11 3.92 2.01 -1.26 -3.07 115.64 122.02 3h12 s THR 47 Ca 0.48 -1.08 0.06 0.00 0.31 0.00 0.00 61.69 61.46 3h12 s THR 47 Cb -0.18 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 3h12 s THR 47 CO 0.13 0.57 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.76 3h12 s GLY 48 N -0.41 1.85 0.15 4.40 0.00 -0.53 -4.54 107.32 108.23 3h12 s GLY 48 Ca 0.04 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 43.64 3h12 s GLY 48 CO 0.01 -1.18 -0.17 -1.34 0.00 0.00 0.00 173.10 170.41 3h12 s VAL 49 N -1.32 1.71 0.27 1.40 -7.23 -1.26 -0.72 120.40 113.26 3h12 s VAL 49 Ca 0.24 -1.86 -0.09 0.00 -1.81 0.00 0.00 61.98 58.46 3h12 s VAL 49 Cb -0.11 -1.77 0.04 0.00 0.56 0.00 0.00 36.38 35.10 3h12 s VAL 49 CO 0.16 -0.33 0.52 0.61 -0.31 0.00 0.00 175.10 175.76 3h12 n GLY 50 N 0.38 1.42 3.19 2.32 0.00 -0.68 -3.42 105.19 108.39 3h12 n GLY 50 Ca -0.14 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3h12 n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h12 s SER 51 N -2.42 -0.36 -0.31 1.61 0.15 -1.25 -0.70 113.70 110.42 3h12 s SER 51 Ca 0.12 0.67 0.04 0.00 0.70 0.00 0.00 55.95 57.48 3h12 s SER 51 Cb -0.03 0.63 0.52 0.00 -1.71 0.00 0.00 66.02 65.43 3h12 s SER 51 CO 0.09 -0.14 1.65 -0.81 1.20 0.00 0.00 173.24 175.23 3h12 n PRO 52 N 3.47 2.23 0.00 5.44 -0.04 -1.26 -3.97 135.00 140.87 3h12 n PRO 52 Ca -0.18 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 3h12 n PRO 52 Cb 0.56 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 3h12 n PRO 52 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3h12 n SER 53 N -0.56 -2.30 0.00 3.54 2.88 -1.23 -4.68 113.62 111.26 3h12 n SER 53 Ca 0.41 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 3h12 n SER 53 Cb 1.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 3h12 n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h12 n GLY 54 N 0.00 0.03 3.75 0.46 0.00 -1.26 -4.58 105.19 103.58 3h12 n GLY 54 Ca 0.00 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 3h12 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h12 s PRO 55 N -2.00 4.43 0.05 1.61 0.04 -1.26 -4.84 135.00 133.04 3h12 s PRO 55 Ca 0.00 0.94 -0.09 0.00 0.04 0.00 0.00 61.00 61.89 3h12 s PRO 55 Cb 0.00 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 3h12 s PRO 55 CO 0.00 0.29 0.18 0.71 0.04 0.00 0.00 177.00 178.22 3h12 s TYR 56 N -0.03 0.10 0.12 0.56 2.02 -1.26 -5.12 117.35 113.75 3h12 s TYR 56 Ca 0.36 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 56.35 3h12 s TYR 56 Cb -0.19 -0.06 -0.08 0.00 -0.40 0.00 0.00 41.96 41.23 3h12 s TYR 56 CO 0.21 -0.45 1.37 0.34 -1.57 0.00 0.00 175.55 175.44 3h12 s ASP 57 N -2.32 6.85 0.23 2.29 2.15 -1.26 -4.86 116.67 119.75 3h12 s ASP 57 Ca -0.02 2.32 0.01 0.00 0.43 0.00 0.00 52.55 55.29 3h12 s ASP 57 Cb 0.01 -2.59 0.24 0.00 -0.30 0.00 0.00 42.92 40.28 3h12 s ASP 57 CO -0.06 -0.63 1.58 -0.07 -0.17 0.00 0.00 175.17 175.83 3h12 h LEU 58 N 6.61 0.47 -0.59 -1.34 3.38 -1.97 -1.71 115.31 120.16 3h12 h LEU 58 Ca -0.42 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.24 3h12 h LEU 58 Cb 1.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3h12 h LEU 58 CO 0.85 0.88 0.06 0.00 0.09 0.00 0.00 178.44 180.32 3h12 h ALA 59 N 1.14 0.79 -0.48 1.53 0.00 -1.99 0.17 119.26 120.42 3h12 h ALA 59 Ca 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3h12 h ALA 59 Cb 0.97 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3h12 h ALA 59 CO 0.08 0.57 0.24 0.28 0.00 0.00 0.00 179.25 180.42 3h12 h VAL 60 N 0.90 1.18 -0.57 0.00 2.07 -1.90 -1.71 116.25 116.23 3h12 h VAL 60 Ca 0.18 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 3h12 h VAL 60 Cb 0.47 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3h12 h VAL 60 CO 0.02 0.20 -0.00 -0.07 0.02 0.00 0.00 177.57 177.74 3h12 h LEU 61 N 0.63 1.00 -0.65 2.57 3.38 -1.18 -0.08 115.31 120.97 3h12 h LEU 61 Ca 0.16 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3h12 h LEU 61 Cb 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3h12 h LEU 61 CO -0.02 1.06 0.03 0.50 0.09 0.00 0.00 178.44 180.10 3h12 h LYS 62 N 0.90 1.08 -0.14 1.13 3.64 -0.82 -0.41 116.57 121.96 3h12 h LYS 62 Ca 0.16 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 3h12 h LYS 62 Cb 0.55 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3h12 h LYS 62 CO 0.03 1.03 -0.05 -0.09 -2.27 0.00 0.00 179.45 178.10 3h12 h ARG 63 N 0.99 0.29 -0.81 1.90 9.65 -1.07 0.52 114.38 125.83 3h12 h ARG 63 Ca 0.18 -0.12 0.05 0.00 -1.10 0.00 0.00 59.98 58.99 3h12 h ARG 63 Cb 0.53 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.04 3h12 h ARG 63 CO 0.03 0.60 0.50 0.00 2.80 0.00 0.00 179.97 183.90 3h12 h ALA 64 N 0.68 1.09 -0.02 2.80 0.00 -0.68 0.20 119.26 123.33 3h12 h ALA 64 Ca 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3h12 h ALA 64 Cb 0.50 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h12 h ALA 64 CO 0.02 0.26 -0.31 0.82 0.00 0.00 0.00 179.25 180.04 3h12 h ILE 65 N 0.94 1.49 0.01 0.00 2.04 -0.87 0.79 117.51 121.91 3h12 h ILE 65 Ca 0.34 -1.88 -0.23 0.00 1.00 0.00 0.00 64.86 64.10 3h12 h ILE 65 Cb 0.12 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 3h12 h ILE 65 CO -0.15 0.52 -1.14 -0.33 0.00 0.00 0.00 178.15 177.06 3h12 h GLU 66 N -0.34 0.01 0.00 2.37 5.08 -0.87 0.16 114.58 120.99 3h12 h GLU 66 Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3h12 h GLU 66 Cb 1.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3h12 h GLU 66 CO 0.06 0.92 -0.22 -0.25 -1.00 0.00 0.00 179.01 178.53 3h12 n ASP 67 N -3.31 1.08 -0.04 1.42 8.00 0.05 -4.10 116.55 119.65 3h12 n ASP 67 Ca -0.03 -0.39 -0.08 0.00 0.71 0.00 0.00 54.79 55.00 3h12 n ASP 67 Cb 0.96 1.00 -0.03 0.00 -0.02 0.00 0.00 41.12 43.04 3h12 n ASP 67 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3h12 n VAL 68 N -1.11 1.23 -0.03 2.53 0.31 -0.97 -4.68 118.33 115.61 3h12 n VAL 68 Ca 0.00 0.14 -0.16 0.00 -0.01 0.00 0.00 64.34 64.31 3h12 n VAL 68 Cb 0.00 -1.91 -0.13 0.00 -0.91 0.00 0.00 33.84 30.88 3h12 n VAL 68 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3h12 h ILE 69 N -0.53 1.66 -0.61 2.52 2.04 -0.95 -3.38 117.51 118.26 3h12 h ILE 69 Ca -0.10 -2.40 0.12 0.00 1.00 0.00 0.00 64.86 63.47 3h12 h ILE 69 Cb 0.74 3.28 -0.12 0.00 -0.74 0.00 0.00 36.82 39.98 3h12 h ILE 69 CO -0.06 0.64 -0.25 1.23 0.00 0.00 0.00 178.15 179.70 3h12 h GLY 70 N -0.78 0.16 0.79 5.37 0.00 -0.83 -0.76 103.07 107.02 3h12 h GLY 70 Ca -0.06 0.33 0.17 0.00 0.00 0.00 0.00 47.33 47.76 3h12 h GLY 70 CO 0.04 -0.23 0.44 -2.55 0.00 0.00 0.00 176.54 174.24 3h12 h PRO 71 N -0.10 0.00 0.00 4.80 0.11 -1.74 0.01 132.00 135.08 3h12 h PRO 71 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3h12 h PRO 71 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3h12 h PRO 71 CO -0.67 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.16 3h12 n GLN 72 N -4.23 0.21 -0.06 1.05 1.13 -0.29 -3.67 117.38 111.51 3h12 n GLN 72 Ca 0.11 0.32 -0.03 0.00 -1.94 0.00 0.00 57.00 55.46 3h12 n GLN 72 Cb 0.68 -1.82 -0.13 0.00 0.11 0.00 0.00 30.24 29.07 3h12 n GLN 72 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3h12 n LEU 73 N -2.20 0.00 -4.75 1.08 4.32 -0.08 -4.88 117.00 110.49 3h12 n LEU 73 Ca 0.04 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.61 3h12 n LEU 73 Cb 0.31 0.29 -0.02 0.00 -1.62 0.00 0.00 43.42 42.38 3h12 n LEU 73 CO 0.24 0.29 1.23 -0.63 -1.22 0.00 0.00 177.39 177.30 3h12 s ILE 74 N -2.61 2.12 0.00 -0.08 -1.09 -0.80 -1.57 121.20 117.17 3h12 s ILE 74 Ca -0.08 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 3h12 s ILE 74 Cb 0.06 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 3h12 s ILE 74 CO 0.68 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 175.01 3h12 n GLY 75 N 2.15 1.72 3.92 6.18 0.00 0.07 -4.98 105.19 114.26 3h12 n GLY 75 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3h12 n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h12 s GLU 76 N -0.59 3.52 -0.23 1.61 0.41 -0.61 -4.67 118.70 118.14 3h12 s GLU 76 Ca 0.00 -0.07 -0.29 0.00 -0.41 0.00 0.00 54.97 54.20 3h12 s GLU 76 Cb 0.00 -2.53 -0.00 0.00 -1.78 0.00 0.00 34.13 29.82 3h12 s GLU 76 CO 0.00 -0.02 1.19 0.34 -0.49 0.00 0.00 175.26 176.28 3h12 s ASP 77 N -4.03 6.92 0.36 -0.19 -1.08 -1.26 -0.59 116.67 116.80 3h12 s ASP 77 Ca 0.44 1.42 0.27 0.00 -0.52 0.00 0.00 52.55 54.15 3h12 s ASP 77 Cb -0.10 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 40.01 3h12 s ASP 77 CO 0.40 -0.83 1.81 1.55 0.52 0.00 0.00 175.17 178.62 3h12 h PRO 78 N 8.24 0.00 0.00 4.34 0.13 -1.94 -2.98 132.00 139.80 3h12 h PRO 78 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 3h12 h PRO 78 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3h12 h PRO 78 CO 1.00 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.74 3h12 h ALA 79 N 2.15 1.70 -0.49 -0.56 0.00 -1.90 -3.30 119.26 116.86 3h12 h ALA 79 Ca 0.00 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 54.16 3h12 h ALA 79 Cb 0.32 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3h12 h ALA 79 CO 0.00 0.03 2.73 0.09 0.00 0.00 0.00 179.25 182.10 3h12 n ASN 80 N -4.13 7.05 -0.16 0.00 3.02 -1.13 -4.73 115.26 115.17 3h12 n ASN 80 Ca -0.03 -2.97 -0.03 0.00 -0.03 0.00 0.00 54.58 51.51 3h12 n ASN 80 Cb 0.11 -1.47 0.17 0.00 -0.61 0.00 0.00 39.78 37.98 3h12 n ASN 80 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h12 h ILE 81 N 3.12 1.23 -0.20 2.41 2.04 -1.86 -0.57 117.51 123.67 3h12 h ILE 81 Ca 0.65 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3h12 h ILE 81 Cb 0.41 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3h12 h ILE 81 CO 1.63 0.31 0.13 0.78 0.00 0.00 0.00 178.15 181.00 3h12 h ASN 82 N 0.88 0.24 -0.65 1.72 2.35 -1.94 0.02 115.58 118.20 3h12 h ASN 82 Ca 0.20 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3h12 h ASN 82 Cb 0.27 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 3h12 h ASN 82 CO -0.01 0.20 0.41 0.22 -1.65 0.00 0.00 177.43 176.61 3h12 h TYR 83 N 0.26 0.78 -0.14 1.19 3.20 -1.88 -2.95 116.97 117.43 3h12 h TYR 83 Ca 0.07 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 3h12 h TYR 83 Cb 0.00 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 3h12 h TYR 83 CO -0.06 0.47 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.44 3h12 h LEU 84 N 0.83 0.34 -0.07 2.82 3.38 -0.61 0.24 115.31 122.24 3h12 h LEU 84 Ca 0.25 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3h12 h LEU 84 Cb -0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3h12 h LEU 84 CO -0.08 0.73 0.04 -0.25 0.09 0.00 0.00 178.44 178.97 3h12 h TRP 85 N 0.27 0.08 -0.16 1.13 7.01 -0.89 -1.45 115.95 121.94 3h12 h TRP 85 Ca 0.02 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.89 3h12 h TRP 85 Cb 0.86 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.88 3h12 h TRP 85 CO 0.02 0.07 -0.46 0.45 -2.79 0.00 0.00 178.44 175.73 3h12 h HIS 86 N 0.08 0.48 -0.79 2.65 3.86 -1.29 -0.70 115.15 119.43 3h12 h HIS 86 Ca 0.02 -0.15 0.04 0.00 -1.16 0.00 0.00 60.37 59.13 3h12 h HIS 86 Cb 0.00 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.32 3h12 h HIS 86 CO -0.07 0.79 0.50 -0.22 0.86 0.00 0.00 177.93 179.79 3h12 h LYS 87 N 0.32 0.92 0.07 2.45 3.64 -0.38 -0.65 116.57 122.94 3h12 h LYS 87 Ca 0.02 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.08 3h12 h LYS 87 Cb 0.93 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3h12 h LYS 87 CO 0.08 0.61 -1.12 0.28 -2.27 0.00 0.00 179.45 177.03 3h12 h VAL 88 N 0.95 1.39 -0.02 2.00 2.07 -1.04 0.41 116.25 122.02 3h12 h VAL 88 Ca 0.33 -2.63 -0.00 0.00 0.82 0.00 0.00 66.70 65.22 3h12 h VAL 88 Cb 0.07 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 3h12 h VAL 88 CO -0.13 0.78 -0.00 0.15 0.02 0.00 0.00 177.57 178.39 3h12 h PHE 89 N 0.20 0.04 0.05 1.57 3.57 -0.80 -1.54 116.94 120.04 3h12 h PHE 89 Ca -0.13 -0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.13 3h12 h PHE 89 Cb 1.79 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.52 3h12 h PHE 89 CO 0.08 0.39 -1.03 0.45 -2.23 0.00 0.00 178.31 175.96 3h12 h HIS 90 N -0.31 0.41 -0.36 0.41 3.86 -1.21 -1.37 115.15 116.57 3h12 h HIS 90 Ca 0.01 -0.26 -0.08 0.00 -1.16 0.00 0.00 60.37 58.88 3h12 h HIS 90 Cb 0.37 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3h12 h HIS 90 CO 0.05 1.13 -0.10 0.78 0.86 0.00 0.00 177.93 180.64 3h12 h GLY 91 N 1.73 0.77 0.00 2.45 0.00 -0.90 -3.45 103.07 103.67 3h12 h GLY 91 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3h12 h GLY 91 CO 0.17 0.59 -0.17 1.18 0.00 0.00 0.00 176.54 178.31 3h12 n GLU 92 N -4.37 0.00 0.03 4.80 -0.58 -0.72 -5.00 120.64 114.79 3h12 n GLU 92 Ca -0.02 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.52 3h12 n GLU 92 Cb 0.36 -0.10 -0.10 0.00 -0.57 0.00 0.00 31.44 31.03 3h12 n GLU 92 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3h12 h VAL 93 N 0.00 1.29 0.68 2.62 2.07 -1.21 -0.78 116.25 120.91 3h12 h VAL 93 Ca 0.00 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 65.30 3h12 h VAL 93 Cb 0.17 2.32 0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3h12 h VAL 93 CO 0.00 0.68 -0.33 -1.28 0.02 0.00 0.00 177.57 176.66 3h12 h SER 94 N 0.39 -0.77 -0.27 0.57 0.87 -1.49 0.38 113.55 113.23 3h12 h SER 94 Ca -0.11 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.34 3h12 h SER 94 Cb 1.63 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.78 3h12 h SER 94 CO 0.19 -0.55 -0.36 0.03 -0.53 0.00 0.00 176.83 175.61 3h12 h ARG 95 N -0.92 0.72 -0.01 2.24 3.08 -1.79 -0.95 114.38 116.75 3h12 h ARG 95 Ca -0.09 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3h12 h ARG 95 Cb 0.70 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3h12 h ARG 95 CO 0.15 1.03 -0.52 0.09 -1.07 0.00 0.00 179.97 179.66 3h12 n ASN 96 N -4.21 1.09 0.00 7.04 3.02 -0.30 -3.91 115.26 117.99 3h12 n ASN 96 Ca -0.04 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 3h12 n ASN 96 Cb 0.52 0.41 0.00 0.00 -0.61 0.00 0.00 39.78 40.10 3h12 n ASN 96 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h12 n LEU 97 N -0.92 0.05 0.00 3.41 4.77 0.07 -5.00 117.00 119.38 3h12 n LEU 97 Ca 0.08 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3h12 n LEU 97 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3h12 n LEU 97 CO 0.32 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3h12 n GLY 98 N 0.69 2.10 0.27 -0.72 0.00 -0.38 -4.60 105.19 102.54 3h12 n GLY 98 Ca 0.00 -1.60 0.16 0.00 0.00 0.00 0.00 46.02 44.58 3h12 n GLY 98 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3h12 h HIS 99 N 0.00 0.00 -2.68 1.61 2.07 -1.75 -3.33 115.15 111.08 3h12 h HIS 99 Ca 0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 3h12 h HIS 99 Cb 0.00 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 29.58 3h12 h HIS 99 CO 0.00 0.00 -0.77 0.54 -3.07 0.00 0.00 177.93 174.63 3h12 n ARG 100 N -3.09 1.12 -4.08 5.12 5.12 -1.26 -4.85 116.66 114.74 3h12 n ARG 100 Ca 0.01 -3.88 -0.10 0.00 -1.93 0.00 0.00 57.85 51.95 3h12 n ARG 100 Cb 0.35 -1.97 -0.07 0.00 -1.16 0.00 0.00 32.46 29.61 3h12 n ARG 100 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3h12 s SER 101 N -0.87 0.03 0.62 0.55 1.04 -1.25 -4.97 113.70 108.85 3h12 s SER 101 Ca 0.30 -1.11 0.30 0.00 0.48 0.00 0.00 55.95 55.92 3h12 s SER 101 Cb 0.01 0.48 1.65 0.00 0.10 0.00 0.00 66.02 68.27 3h12 s SER 101 CO -0.17 -0.99 1.99 1.62 0.98 0.00 0.00 173.24 176.68 3h12 h VAL 102 N 2.44 0.23 -0.36 5.02 3.04 -1.90 0.56 116.25 125.28 3h12 h VAL 102 Ca -0.31 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.30 3h12 h VAL 102 Cb 1.25 0.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.23 3h12 h VAL 102 CO 0.44 0.00 -0.13 1.23 -1.01 0.00 0.00 177.57 178.10 3h12 h GLY 103 N 0.00 0.69 1.15 3.17 0.00 -1.87 0.39 103.07 106.61 3h12 h GLY 103 Ca 0.09 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 3h12 h GLY 103 CO -0.00 0.47 0.07 -2.22 0.00 0.00 0.00 176.54 174.86 3h12 h ILE 104 N 0.58 1.26 -0.70 2.60 1.08 -1.17 -0.75 117.51 120.41 3h12 h ILE 104 Ca 0.10 -1.04 -0.06 0.00 -0.39 0.00 0.00 64.86 63.47 3h12 h ILE 104 Cb 0.56 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 3h12 h ILE 104 CO 0.04 0.39 0.21 0.00 -0.69 0.00 0.00 178.15 178.09 3h12 h ALA 105 N 1.11 0.92 -0.57 1.87 0.00 -1.18 -0.84 119.26 120.56 3h12 h ALA 105 Ca 0.19 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3h12 h ALA 105 Cb 0.46 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3h12 h ALA 105 CO 0.02 0.60 0.35 0.00 0.00 0.00 0.00 179.25 180.22 3h12 h ALA 106 N 1.10 0.74 -0.52 0.00 0.00 -0.66 -0.44 119.26 119.48 3h12 h ALA 106 Ca 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3h12 h ALA 106 Cb 0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3h12 h ALA 106 CO -0.01 0.08 0.23 0.52 0.00 0.00 0.00 179.25 180.07 3h12 h MET 107 N 0.69 0.74 -0.77 0.00 2.07 -0.88 -2.30 114.93 114.48 3h12 h MET 107 Ca 0.23 -0.10 -0.04 0.00 -2.07 0.00 0.00 59.70 57.72 3h12 h MET 107 Cb 0.01 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 29.57 3h12 h MET 107 CO -0.09 0.59 0.31 0.77 1.07 0.00 0.00 176.91 179.56 3h12 h SER 108 N 0.74 1.05 -0.72 1.22 0.02 0.37 0.20 113.55 116.43 3h12 h SER 108 Ca 0.18 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3h12 h SER 108 Cb 0.11 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3h12 h SER 108 CO -0.02 0.92 0.36 1.23 -1.14 0.00 0.00 176.83 178.19 3h12 h GLY 109 N 1.14 1.10 1.10 -3.77 0.00 -0.82 0.28 103.07 102.10 3h12 h GLY 109 Ca 0.26 -0.53 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 3h12 h GLY 109 CO -0.02 0.50 -0.46 -2.08 0.00 0.00 0.00 176.54 174.48 3h12 h VAL 110 N 1.00 1.28 -0.73 4.60 2.07 -1.06 -1.65 116.25 121.75 3h12 h VAL 110 Ca 0.25 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 3h12 h VAL 110 Cb 0.09 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3h12 h VAL 110 CO -0.03 0.54 0.34 -0.78 0.02 0.00 0.00 177.57 177.65 3h12 h ASP 111 N 0.63 0.98 -0.58 0.57 3.58 -0.37 0.38 116.42 121.60 3h12 h ASP 111 Ca 0.03 -0.14 0.04 0.00 0.42 0.00 0.00 57.03 57.38 3h12 h ASP 111 Cb 1.07 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 3h12 h ASP 111 CO 0.11 0.85 0.32 0.40 -2.88 0.00 0.00 179.24 178.04 3h12 h ILE 112 N 1.04 1.00 -0.59 2.25 2.04 -0.87 -1.23 117.51 121.15 3h12 h ILE 112 Ca 0.25 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3h12 h ILE 112 Cb 0.14 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 3h12 h ILE 112 CO -0.03 0.11 0.26 0.00 0.00 0.00 0.00 178.15 178.50 3h12 h ALA 113 N 1.29 1.36 -0.27 1.87 0.00 -0.39 0.10 119.26 123.21 3h12 h ALA 113 Ca 0.25 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3h12 h ALA 113 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3h12 h ALA 113 CO -0.14 0.49 -0.16 -0.07 0.00 0.00 0.00 179.25 179.37 3h12 h LEU 114 N 0.83 0.46 -0.48 0.00 3.38 -0.30 -0.30 115.31 118.90 3h12 h LEU 114 Ca 0.20 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3h12 h LEU 114 Cb 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3h12 h LEU 114 CO -0.02 0.64 -0.43 -0.50 0.09 0.00 0.00 178.44 178.21 3h12 h TRP 115 N 0.43 0.93 -0.30 1.13 4.06 -0.65 -0.31 115.95 121.25 3h12 h TRP 115 Ca 0.08 -0.29 -0.00 0.00 2.06 0.00 0.00 58.89 60.73 3h12 h TRP 115 Cb 0.53 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 3h12 h TRP 115 CO 0.02 1.07 0.17 0.22 -3.56 0.00 0.00 178.44 176.35 3h12 h ASP 116 N 0.62 0.37 -0.60 -3.49 3.58 -0.83 -0.71 116.42 115.35 3h12 h ASP 116 Ca 0.04 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 3h12 h ASP 116 Cb 1.00 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 3h12 h ASP 116 CO 0.10 0.33 0.33 0.25 -2.88 0.00 0.00 179.24 177.37 3h12 h LEU 117 N 0.37 0.75 -0.38 2.28 6.46 -0.84 -0.22 115.31 123.74 3h12 h LEU 117 Ca 0.11 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.72 3h12 h LEU 117 Cb 0.04 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 3h12 h LEU 117 CO -0.02 0.63 0.04 0.50 -0.62 0.00 0.00 178.44 178.97 3h12 h LYS 118 N 0.82 0.65 -0.79 1.25 3.64 -0.75 0.20 116.57 121.59 3h12 h LYS 118 Ca 0.21 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3h12 h LYS 118 Cb 0.04 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3h12 h LYS 118 CO -0.03 0.72 0.38 0.78 -2.27 0.00 0.00 179.45 179.03 3h12 h GLY 119 N 0.48 1.22 0.98 5.01 0.00 -0.85 -0.82 103.07 109.10 3h12 h GLY 119 Ca 0.11 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 3h12 h GLY 119 CO 0.01 0.57 -0.16 3.21 0.00 0.00 0.00 176.54 180.18 3h12 h ARG 120 N 1.13 0.76 -0.38 4.80 3.08 -0.27 0.13 114.38 123.63 3h12 h ARG 120 Ca 0.27 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3h12 h ARG 120 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3h12 h ARG 120 CO -0.03 0.94 0.25 0.00 -1.07 0.00 0.00 179.97 180.05 3h12 h ALA 121 N 0.80 1.74 -0.00 0.04 0.00 -0.07 -2.38 119.26 119.40 3h12 h ALA 121 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h12 h ALA 121 Cb 0.70 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3h12 h ALA 121 CO 0.05 0.24 -0.42 -1.33 0.00 0.00 0.00 179.25 177.79 3h12 n MET 122 N -4.48 0.18 -3.67 0.00 2.81 -0.36 -4.97 117.12 106.63 3h12 n MET 122 Ca 0.03 -0.10 -0.24 0.00 -1.81 0.00 0.00 57.70 55.58 3h12 n MET 122 Cb 0.07 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.14 3h12 n MET 122 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3h12 n ASN 123 N -1.33 -3.87 -3.99 7.83 4.05 0.32 -5.02 115.26 113.25 3h12 n ASN 123 Ca 0.07 -0.68 -0.15 0.00 0.45 0.00 0.00 54.58 54.27 3h12 n ASN 123 Cb 0.34 -4.54 -0.13 0.00 1.23 0.00 0.00 39.78 36.68 3h12 n ASN 123 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3h12 s GLN 124 N -6.12 0.45 0.54 1.20 -1.52 -0.40 -4.82 119.66 108.99 3h12 s GLN 124 Ca 0.35 -0.38 -0.22 0.00 -1.95 0.00 0.00 55.36 53.16 3h12 s GLN 124 Cb -0.16 -0.36 -0.05 0.00 -0.22 0.00 0.00 33.01 32.22 3h12 s GLN 124 CO 0.77 0.09 1.31 -1.25 -0.25 0.00 0.00 175.29 175.96 3h12 s PRO 125 N -0.63 3.23 0.24 2.91 0.04 -1.19 -0.46 135.00 139.14 3h12 s PRO 125 Ca -0.02 2.12 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 3h12 s PRO 125 Cb -0.05 -2.25 0.42 0.00 0.04 0.00 0.00 34.50 32.66 3h12 s PRO 125 CO 0.00 -1.08 1.76 0.82 0.04 0.00 0.00 177.00 178.54 3h12 h ILE 126 N 1.47 0.75 -0.28 0.56 2.04 -1.53 -1.33 117.51 119.18 3h12 h ILE 126 Ca -0.51 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.25 3h12 h ILE 126 Cb 1.29 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3h12 h ILE 126 CO 0.58 0.10 0.24 0.10 0.00 0.00 0.00 178.15 179.16 3h12 h TYR 127 N 0.55 0.00 -0.28 1.37 -0.00 -1.86 -0.53 116.97 116.22 3h12 h TYR 127 Ca 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 59.01 3h12 h TYR 127 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.24 3h12 h TYR 127 CO -0.13 0.00 -0.30 1.96 -0.00 0.00 0.00 178.16 179.69 3h12 h GLN 128 N 0.00 0.58 -0.48 0.10 1.08 -1.57 0.14 115.11 114.97 3h12 h GLN 128 Ca 0.13 -0.25 -0.09 0.00 -1.45 0.00 0.00 58.65 56.99 3h12 h GLN 128 Cb 0.61 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 3h12 h GLN 128 CO -0.00 0.82 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.55 3h12 h LEU 129 N 0.50 0.83 0.00 1.46 4.07 -1.10 -2.82 115.31 118.25 3h12 h LEU 129 Ca 0.06 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3h12 h LEU 129 Cb 0.77 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.29 3h12 h LEU 129 CO 0.06 0.93 0.00 0.18 -1.08 0.00 0.00 178.44 178.54 3h12 n LEU 130 N -4.17 0.00 0.00 1.67 4.77 -0.97 -4.79 117.00 113.51 3h12 n LEU 130 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3h12 n LEU 130 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3h12 n LEU 130 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3h12 n GLY 131 N 0.17 0.96 1.01 -0.72 0.00 -1.07 -5.00 105.19 100.53 3h12 n GLY 131 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3h12 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h12 n GLY 132 N -2.08 -2.32 3.77 -0.02 0.00 0.49 -4.89 105.19 100.13 3h12 n GLY 132 Ca 0.00 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 3h12 n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h12 s LYS 133 N -0.85 3.63 -0.23 1.61 1.02 -1.26 -4.30 119.74 119.36 3h12 s LYS 133 Ca 0.00 1.72 -0.17 0.00 0.02 0.00 0.00 55.97 57.55 3h12 s LYS 133 Cb 0.00 -2.28 -0.17 0.00 -0.52 0.00 0.00 37.83 34.86 3h12 s LYS 133 CO 0.00 -0.65 0.01 0.34 -0.92 0.00 0.00 175.35 174.13 3h12 n PHE 134 N -0.74 0.64 -2.59 3.18 7.35 0.55 -4.75 117.46 121.10 3h12 n PHE 134 Ca 0.09 0.26 -0.43 0.00 -0.76 0.00 0.00 57.45 56.60 3h12 n PHE 134 Cb 0.49 -1.07 0.00 0.00 0.35 0.00 0.00 39.48 39.25 3h12 n PHE 134 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3h12 n HIS 135 N -4.25 4.64 0.23 -5.13 8.25 -0.27 -4.78 115.22 113.91 3h12 n HIS 135 Ca -0.41 -2.92 0.10 0.00 -0.26 0.00 0.00 57.72 54.23 3h12 n HIS 135 Cb 0.80 -2.57 0.50 0.00 1.12 0.00 0.00 29.99 29.84 3h12 n HIS 135 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3h12 h THR 136 N 5.34 0.61 0.23 1.59 1.35 -1.86 -3.08 112.91 117.09 3h12 h THR 136 Ca 0.44 -1.06 -0.33 0.00 -0.55 0.00 0.00 66.41 64.91 3h12 h THR 136 Cb 0.86 1.70 0.03 0.00 -1.73 0.00 0.00 68.15 69.01 3h12 h THR 136 CO 1.45 0.22 -1.51 -0.09 -0.25 0.00 0.00 175.52 175.35 3h12 h ARG 137 N 0.00 0.49 0.00 4.72 2.43 -1.99 -3.50 114.38 116.53 3h12 h ARG 137 Ca -0.00 -0.84 0.00 0.00 -0.81 0.00 0.00 59.98 58.33 3h12 h ARG 137 Cb 0.68 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3h12 h ARG 137 CO 0.03 1.40 0.00 0.41 -1.51 0.00 0.00 179.97 180.30 3h12 n GLY 138 N 1.75 0.17 3.28 2.80 0.00 -1.17 -4.98 105.19 107.05 3h12 n GLY 138 Ca -0.19 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 3h12 n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h12 s VAL 139 N -1.62 3.17 -0.07 1.61 1.01 0.26 -4.86 120.40 119.90 3h12 s VAL 139 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3h12 s VAL 139 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3h12 s VAL 139 CO 0.00 0.44 1.38 -0.60 0.00 0.00 0.00 175.10 176.32 3h12 s ARG 140 N 1.40 4.26 0.22 2.72 3.52 -1.26 -0.55 118.95 129.25 3h12 s ARG 140 Ca 0.05 1.87 0.05 0.00 -0.13 0.00 0.00 55.73 57.57 3h12 s ARG 140 Cb -0.14 -3.71 -0.03 0.00 -1.56 0.00 0.00 34.95 29.51 3h12 s ARG 140 CO -0.04 -0.65 0.31 0.00 -0.81 0.00 0.00 175.30 174.11 3h12 s ALA 141 N 3.02 3.87 0.13 6.12 0.00 -1.04 -0.88 121.76 132.98 3h12 s ALA 141 Ca 0.62 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 51.44 3h12 s ALA 141 Cb -0.28 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 3h12 s ALA 141 CO 0.23 0.32 -0.17 1.52 0.00 0.00 0.00 175.76 177.65 3h12 s TYR 142 N -1.94 1.63 -0.24 0.00 -0.85 0.62 -4.19 117.35 112.38 3h12 s TYR 142 Ca 0.34 -0.48 -0.25 0.00 -0.52 0.00 0.00 57.07 56.15 3h12 s TYR 142 Cb -0.09 -0.85 -0.00 0.00 0.38 0.00 0.00 41.96 41.39 3h12 s TYR 142 CO 0.28 0.22 0.86 0.00 -1.52 0.00 0.00 175.55 175.39 3h12 s ALA 143 N -1.82 3.65 -0.27 9.51 0.00 -0.36 -1.39 121.76 131.09 3h12 s ALA 143 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 3h12 s ALA 143 Cb -0.07 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.76 3h12 s ALA 143 CO 0.05 -0.95 -0.03 0.45 0.00 0.00 0.00 175.76 175.28 3h12 s SER 144 N 1.32 4.59 0.36 0.00 0.15 -0.23 -1.68 113.70 118.21 3h12 s SER 144 Ca 0.36 -0.99 -0.03 0.00 0.70 0.00 0.00 55.95 55.98 3h12 s SER 144 Cb -0.15 -1.70 0.01 0.00 -1.71 0.00 0.00 66.02 62.47 3h12 s SER 144 CO 0.07 -0.18 0.53 -0.44 1.20 0.00 0.00 173.24 174.42 3h12 s SER 145 N 1.32 0.92 -0.31 5.45 0.01 -1.26 -1.17 113.70 118.66 3h12 s SER 145 Ca -0.01 -1.50 -0.12 0.00 1.31 0.00 0.00 55.95 55.62 3h12 s SER 145 Cb -0.18 0.71 -0.03 0.00 0.21 0.00 0.00 66.02 66.73 3h12 s SER 145 CO -0.03 -1.39 0.23 -0.63 0.41 0.00 0.00 173.24 171.84 3h12 s ILE 146 N -2.81 5.28 0.00 1.44 1.01 0.49 -4.89 121.20 121.73 3h12 s ILE 146 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.93 3h12 s ILE 146 Cb -0.01 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3h12 s ILE 146 CO 0.20 0.10 0.00 -1.22 0.00 0.00 0.00 174.94 174.02 3h12 n TYR 147 N 5.11 -3.11 -1.40 3.97 4.02 -1.26 -0.20 117.16 124.29 3h12 n TYR 147 Ca -0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.46 3h12 n TYR 147 Cb 0.51 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 40.04 3h12 n TYR 147 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3h12 s TRP 148 N 0.55 1.11 -0.65 -0.72 0.51 -0.88 -4.36 118.94 114.50 3h12 s TRP 148 Ca 0.00 0.49 0.00 0.00 -2.12 0.00 0.00 56.10 54.47 3h12 s TRP 148 Cb 0.00 -3.65 0.00 0.00 -0.81 0.00 0.00 33.47 29.01 3h12 s TRP 148 CO 0.00 -3.30 0.00 -0.25 -0.51 0.00 0.00 176.95 172.89 3h12 n ASP 149 N -4.32 -3.44 -4.60 2.95 8.00 -1.26 -4.78 116.55 109.10 3h12 n ASP 149 Ca 0.13 0.12 -0.32 0.00 0.71 0.00 0.00 54.79 55.42 3h12 n ASP 149 Cb 0.59 -1.86 -0.10 0.00 -0.02 0.00 0.00 41.12 39.73 3h12 n ASP 149 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3h12 s LEU 150 N -1.59 3.19 0.90 0.64 1.43 -1.26 -5.11 118.68 116.88 3h12 s LEU 150 Ca 0.00 -0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 3h12 s LEU 150 Cb 0.00 -1.81 0.14 0.00 0.03 0.00 0.00 46.19 44.54 3h12 s LEU 150 CO 0.00 0.29 1.16 0.42 0.23 0.00 0.00 176.35 178.45 3h12 s THR 151 N -0.99 1.98 0.23 5.49 -4.23 -1.26 -4.83 115.64 112.04 3h12 s THR 151 Ca 0.17 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.65 3h12 s THR 151 Cb -0.11 -2.81 0.05 0.00 1.34 0.00 0.00 72.50 70.97 3h12 s THR 151 CO 0.07 0.00 1.66 -0.65 -0.54 0.00 0.00 174.62 175.17 3h12 h PRO 152 N -1.46 0.71 -0.17 3.99 0.11 -1.90 0.18 132.00 133.46 3h12 h PRO 152 Ca -0.49 -0.27 -0.09 0.00 0.11 0.00 0.00 66.00 65.26 3h12 h PRO 152 Cb 1.32 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3h12 h PRO 152 CO 0.60 0.86 -0.31 -0.44 -0.21 0.00 0.00 178.00 178.50 3h12 h ASP 153 N 0.63 0.33 -0.41 -2.05 3.32 -1.94 -1.15 116.42 115.15 3h12 h ASP 153 Ca 0.09 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 3h12 h ASP 153 Cb 0.69 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3h12 h ASP 153 CO 0.05 0.64 -0.14 1.56 -1.72 0.00 0.00 179.24 179.63 3h12 h GLN 154 N 0.29 0.82 -0.59 3.56 4.20 -1.74 0.67 115.11 122.32 3h12 h GLN 154 Ca 0.04 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.35 3h12 h GLN 154 Cb 0.70 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3h12 h GLN 154 CO 0.05 0.96 0.08 0.00 -0.67 0.00 0.00 178.83 179.25 3h12 h ALA 155 N 0.84 1.04 -0.25 3.87 0.00 -0.35 -0.39 119.26 124.02 3h12 h ALA 155 Ca 0.10 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3h12 h ALA 155 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3h12 h ALA 155 CO 0.05 0.61 -0.45 0.00 0.00 0.00 0.00 179.25 179.46 3h12 h ALA 156 N 1.19 0.75 -0.60 0.00 0.00 -1.03 -1.16 119.26 118.41 3h12 h ALA 156 Ca 0.18 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3h12 h ALA 156 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3h12 h ALA 156 CO 0.01 0.66 0.06 -0.44 0.00 0.00 0.00 179.25 179.54 3h12 h ASP 157 N 0.51 0.96 -0.22 0.00 3.32 -0.59 0.33 116.42 120.72 3h12 h ASP 157 Ca 0.03 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 3h12 h ASP 157 Cb 0.98 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3h12 h ASP 157 CO 0.09 0.98 0.02 -0.08 -1.72 0.00 0.00 179.24 178.53 3h12 h GLU 158 N 0.93 0.38 -0.27 3.56 4.81 -0.78 -0.03 114.58 123.17 3h12 h GLU 158 Ca 0.18 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3h12 h GLU 158 Cb 0.46 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3h12 h GLU 158 CO 0.02 0.54 0.10 1.25 -0.73 0.00 0.00 179.01 180.18 3h12 h LEU 159 N 0.16 0.11 -1.27 1.64 5.85 -0.99 -0.89 115.31 119.92 3h12 h LEU 159 Ca 0.07 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3h12 h LEU 159 Cb 0.36 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3h12 h LEU 159 CO 0.01 0.10 0.52 0.00 -0.34 0.00 0.00 178.44 178.72 3h12 h ALA 160 N 1.17 1.56 -0.53 1.25 0.00 -0.74 0.12 119.26 122.08 3h12 h ALA 160 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3h12 h ALA 160 Cb 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h12 h ALA 160 CO -0.12 0.36 0.21 0.78 0.00 0.00 0.00 179.25 180.47 3h12 h GLY 161 N 0.93 0.86 1.42 0.00 0.00 -0.32 0.17 103.07 106.13 3h12 h GLY 161 Ca 0.32 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 3h12 h GLY 161 CO -0.10 0.45 -0.09 1.49 0.00 0.00 0.00 176.54 178.29 3h12 h TRP 162 N 0.72 0.76 -0.56 5.60 4.06 -0.20 -1.52 115.95 124.80 3h12 h TRP 162 Ca 0.18 -0.12 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 3h12 h TRP 162 Cb 0.21 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.14 3h12 h TRP 162 CO 0.01 0.76 0.33 0.28 -3.56 0.00 0.00 178.44 176.25 3h12 h VAL 163 N 0.64 1.18 -0.77 1.49 2.07 -0.74 -1.64 116.25 118.47 3h12 h VAL 163 Ca 0.12 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.28 3h12 h VAL 163 Cb 0.53 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3h12 h VAL 163 CO 0.03 0.19 0.50 -0.08 0.02 0.00 0.00 177.57 178.23 3h12 h GLU 164 N 0.76 0.77 0.00 1.57 4.57 -0.73 -0.77 114.58 120.74 3h12 h GLU 164 Ca 0.20 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3h12 h GLU 164 Cb 0.01 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3h12 h GLU 164 CO -0.04 0.51 0.00 1.96 -1.18 0.00 0.00 179.01 180.27 3h12 h GLN 165 N 0.80 0.00 0.00 1.92 1.08 -0.92 -3.46 115.11 114.53 3h12 h GLN 165 Ca 0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 3h12 h GLN 165 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3h12 h GLN 165 CO -0.12 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.17 3h12 n GLY 166 N 0.07 1.13 3.78 3.46 0.00 -0.30 -4.94 105.19 108.40 3h12 n GLY 166 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3h12 n GLY 166 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h12 s PHE 167 N -2.00 3.04 -1.32 1.61 0.08 -0.65 -3.48 117.98 115.26 3h12 s PHE 167 Ca 0.00 1.59 0.14 0.00 0.12 0.00 0.00 56.93 58.78 3h12 s PHE 167 Cb 0.00 -3.18 0.34 0.00 -0.57 0.00 0.00 43.02 39.61 3h12 s PHE 167 CO 0.00 -0.98 1.25 0.25 -0.10 0.00 0.00 175.22 175.65 3h12 n THR 168 N -0.57 0.79 -3.48 0.64 -2.24 -1.26 -4.13 114.28 104.03 3h12 n THR 168 Ca 0.08 -0.90 -0.12 0.00 -2.27 0.00 0.00 64.05 60.84 3h12 n THR 168 Cb 0.50 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 3h12 n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h12 s ALA 169 N -1.04 -1.74 0.19 6.98 0.00 -1.26 -1.81 121.76 123.08 3h12 s ALA 169 Ca 0.27 0.96 -0.21 0.00 0.00 0.00 0.00 51.96 52.98 3h12 s ALA 169 Cb 0.15 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.67 3h12 s ALA 169 CO 0.20 -0.60 0.59 0.00 0.00 0.00 0.00 175.76 175.95 3h12 s ALA 170 N -2.65 -1.32 -0.03 0.00 0.00 -0.81 -1.22 121.76 115.73 3h12 s ALA 170 Ca -0.01 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.14 3h12 s ALA 170 Cb -0.01 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 3h12 s ALA 170 CO -0.05 -0.83 -0.24 0.21 0.00 0.00 0.00 175.76 174.86 3h12 s LYS 171 N -3.82 2.09 -0.15 0.00 2.20 -0.67 -1.06 119.74 118.32 3h12 s LYS 171 Ca 0.05 -0.86 -0.06 0.00 -0.36 0.00 0.00 55.97 54.74 3h12 s LYS 171 Cb -0.02 -1.94 -0.04 0.00 -1.51 0.00 0.00 37.83 34.32 3h12 s LYS 171 CO -0.06 0.48 0.04 -1.17 -0.36 0.00 0.00 175.35 174.27 3h12 s LEU 172 N -0.45 3.70 0.09 5.43 2.96 0.21 -0.38 118.68 130.24 3h12 s LEU 172 Ca 0.06 0.08 -0.27 0.00 -0.22 0.00 0.00 54.13 53.78 3h12 s LEU 172 Cb -0.10 -1.91 -0.06 0.00 0.50 0.00 0.00 46.19 44.62 3h12 s LEU 172 CO 0.00 0.23 0.84 -0.54 -1.32 0.00 0.00 176.35 175.56 3h12 s LYS 173 N 0.03 4.59 0.37 1.98 -0.14 0.72 -0.93 119.74 126.35 3h12 s LYS 173 Ca 0.04 1.22 0.05 0.00 -1.36 0.00 0.00 55.97 55.93 3h12 s LYS 173 Cb -0.12 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.65 3h12 s LYS 173 CO 0.01 0.32 0.20 0.14 -0.76 0.00 0.00 175.35 175.26 3h12 s VAL 174 N -0.26 0.29 0.00 3.17 -7.23 -0.18 -4.47 120.40 111.72 3h12 s VAL 174 Ca 0.41 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 3h12 s VAL 174 Cb -0.22 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.31 3h12 s VAL 174 CO 0.26 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 3h12 n GLY 175 N -0.76 1.89 0.12 2.32 0.00 -1.26 -4.31 105.19 103.19 3h12 n GLY 175 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3h12 n GLY 175 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h12 h ARG 176 N 0.00 0.24 -2.75 1.61 2.43 -1.93 -3.43 114.38 110.54 3h12 h ARG 176 Ca 0.00 -0.40 -0.60 0.00 -0.81 0.00 0.00 59.98 58.17 3h12 h ARG 176 Cb 0.00 0.15 -0.39 0.00 -0.42 0.00 0.00 29.97 29.31 3h12 h ARG 176 CO 0.00 1.19 -0.81 0.00 -1.51 0.00 0.00 179.97 178.85 3h12 s ALA 177 N -2.48 1.66 0.48 2.80 0.00 -1.26 -5.02 121.76 117.94 3h12 s ALA 177 Ca -0.20 -2.36 0.13 0.00 0.00 0.00 0.00 51.96 49.53 3h12 s ALA 177 Cb 0.05 -1.75 1.12 0.00 0.00 0.00 0.00 23.12 22.53 3h12 s ALA 177 CO 0.76 -2.07 2.09 -1.35 0.00 0.00 0.00 175.76 175.19 3h12 h PRO 178 N 6.60 0.22 -0.19 0.00 0.11 -1.99 0.73 132.00 137.48 3h12 h PRO 178 Ca 0.07 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.06 3h12 h PRO 178 Cb 0.93 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3h12 h PRO 178 CO 0.39 0.14 -0.33 0.00 -0.21 0.00 0.00 178.00 178.00 3h12 h ARG 179 N 0.22 0.38 -0.19 1.05 3.08 -1.99 -1.37 114.38 115.56 3h12 h ARG 179 Ca 0.09 -0.16 -0.21 0.00 0.07 0.00 0.00 59.98 59.77 3h12 h ARG 179 Cb 0.10 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.14 3h12 h ARG 179 CO -0.02 0.67 -0.72 0.87 -1.07 0.00 0.00 179.97 179.70 3h12 h LYS 180 N 0.33 0.79 -0.92 0.04 1.57 -1.57 -1.91 116.57 114.90 3h12 h LYS 180 Ca 0.04 -0.61 0.04 0.00 -1.87 0.00 0.00 60.65 58.26 3h12 h LYS 180 Cb 0.74 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.10 3h12 h LYS 180 CO 0.06 1.22 0.60 -0.44 -0.57 0.00 0.00 179.45 180.31 3h12 h ASP 181 N 0.56 0.98 -0.27 0.86 3.32 -0.64 0.14 116.42 121.37 3h12 h ASP 181 Ca -0.03 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3h12 h ASP 181 Cb 1.34 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3h12 h ASP 181 CO 0.15 0.66 0.09 0.00 -1.72 0.00 0.00 179.24 178.41 3h12 h ALA 182 N 1.39 0.36 -0.57 3.45 0.00 -1.20 -0.16 119.26 122.53 3h12 h ALA 182 Ca 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3h12 h ALA 182 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3h12 h ALA 182 CO -0.14 -0.01 0.31 0.00 0.00 0.00 0.00 179.25 179.41 3h12 h ALA 183 N 0.92 1.48 -0.04 0.00 0.00 -0.91 -0.52 119.26 120.19 3h12 h ALA 183 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h12 h ALA 183 Cb 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h12 h ALA 183 CO -0.00 0.43 0.02 -0.91 0.00 0.00 0.00 179.25 178.79 3h12 h ASN 184 N 0.79 0.05 -0.77 0.00 2.35 -0.62 -1.40 115.58 115.98 3h12 h ASN 184 Ca 0.20 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3h12 h ASN 184 Cb 0.02 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3h12 h ASN 184 CO -0.03 0.15 0.50 -0.07 -1.65 0.00 0.00 177.43 176.33 3h12 h LEU 185 N -0.04 0.90 -0.72 1.61 3.38 -0.65 0.89 115.31 120.68 3h12 h LEU 185 Ca 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3h12 h LEU 185 Cb 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3h12 h LEU 185 CO -0.00 0.66 0.43 0.03 0.09 0.00 0.00 178.44 179.65 3h12 h ARG 186 N 1.05 0.98 -0.50 1.13 3.08 -0.97 -0.18 114.38 118.97 3h12 h ARG 186 Ca 0.28 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 3h12 h ARG 186 Cb -0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 3h12 h ARG 186 CO -0.06 0.70 -0.06 0.00 -1.07 0.00 0.00 179.97 179.48 3h12 h ALA 187 N 1.22 0.95 -0.38 0.04 0.00 -0.99 -1.89 119.26 118.21 3h12 h ALA 187 Ca 0.26 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3h12 h ALA 187 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3h12 h ALA 187 CO -0.05 0.62 0.13 0.52 0.00 0.00 0.00 179.25 180.47 3h12 h MET 188 N 0.80 0.59 -0.43 0.00 2.86 -0.55 -1.38 114.93 116.81 3h12 h MET 188 Ca 0.14 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 3h12 h MET 188 Cb 0.57 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3h12 h MET 188 CO 0.03 0.59 -0.17 -0.09 1.06 0.00 0.00 176.91 178.33 3h12 h ARG 189 N 0.47 0.81 -0.62 1.72 9.65 -0.89 -2.33 114.38 123.19 3h12 h ARG 189 Ca 0.12 -0.31 -0.04 0.00 -1.10 0.00 0.00 59.98 58.66 3h12 h ARG 189 Cb 0.24 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 3h12 h ARG 189 CO -0.01 0.93 0.23 0.37 2.80 0.00 0.00 179.97 184.29 3h12 h GLN 190 N 0.72 0.92 -0.21 0.20 4.15 -1.21 -1.97 115.11 117.72 3h12 h GLN 190 Ca 0.11 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 3h12 h GLN 190 Cb 0.68 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 3h12 h GLN 190 CO 0.05 0.77 -0.35 -0.09 -1.93 0.00 0.00 178.83 177.28 3h12 h ARG 191 N 0.90 0.61 0.00 1.69 9.65 -0.76 -3.35 114.38 123.12 3h12 h ARG 191 Ca 0.21 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3h12 h ARG 191 Cb 0.21 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3h12 h ARG 191 CO -0.01 0.99 -1.32 1.33 2.80 0.00 0.00 179.97 183.75 3h12 n VAL 192 N -4.28 0.22 -3.73 0.20 0.24 -0.92 -5.08 118.33 104.98 3h12 n VAL 192 Ca -0.06 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3h12 n VAL 192 Cb 0.51 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 3h12 n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h12 n GLY 193 N 1.30 -1.59 0.08 7.63 0.00 -0.74 -4.58 105.19 107.27 3h12 n GLY 193 Ca -0.00 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.76 3h12 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h12 h ALA 194 N 0.00 0.54 0.00 4.61 0.00 -1.98 -3.37 119.26 119.06 3h12 h ALA 194 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h12 h ALA 194 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h12 h ALA 194 CO 0.00 0.00 -0.54 -0.44 0.00 0.00 0.00 179.25 178.27 3h12 h ASP 195 N 0.00 0.00 -3.38 0.00 3.32 -1.98 -3.44 116.42 110.93 3h12 h ASP 195 Ca 0.00 -0.14 -0.55 0.00 0.02 0.00 0.00 57.03 56.35 3h12 h ASP 195 Cb 0.81 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.32 3h12 h ASP 195 CO 0.00 0.07 0.11 -0.69 -1.72 0.00 0.00 179.24 177.01 3h12 s VAL 196 N -3.18 4.88 0.09 -1.35 1.01 -1.26 -4.96 120.40 115.63 3h12 s VAL 196 Ca 0.06 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.27 3h12 s VAL 196 Cb 0.12 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 3h12 s VAL 196 CO 0.71 0.33 0.87 -1.61 0.00 0.00 0.00 175.10 175.40 3h12 s GLU 197 N 0.25 4.62 -0.18 2.72 0.41 -0.75 -4.98 118.70 120.79 3h12 s GLU 197 Ca 0.37 1.28 0.00 0.00 -0.41 0.00 0.00 54.97 56.22 3h12 s GLU 197 Cb -0.19 -3.36 0.01 0.00 -1.78 0.00 0.00 34.13 28.81 3h12 s GLU 197 CO 0.20 0.27 -0.17 0.42 -0.49 0.00 0.00 175.26 175.50 3h12 s ILE 198 N -0.14 2.35 0.17 -1.63 1.01 -1.26 -1.93 121.20 119.77 3h12 s ILE 198 Ca 0.43 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 60.29 3h12 s ILE 198 Cb -0.22 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 3h12 s ILE 198 CO 0.27 0.52 0.07 -0.76 0.00 0.00 0.00 174.94 175.03 3h12 s LEU 199 N 1.25 3.55 0.01 2.97 1.02 -0.22 -0.89 118.68 126.37 3h12 s LEU 199 Ca 0.03 -0.27 0.03 0.00 0.02 0.00 0.00 54.13 53.95 3h12 s LEU 199 Cb -0.14 -2.18 -0.01 0.00 0.02 0.00 0.00 46.19 43.88 3h12 s LEU 199 CO -0.09 0.08 -0.11 -0.69 0.02 0.00 0.00 176.35 175.56 3h12 s VAL 200 N -1.75 0.84 -0.05 -1.59 1.01 -0.73 -0.62 120.40 117.52 3h12 s VAL 200 Ca 0.29 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 3h12 s VAL 200 Cb -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3h12 s VAL 200 CO 0.21 0.10 0.06 -0.62 0.00 0.00 0.00 175.10 174.85 3h12 s ASP 201 N -0.61 1.25 0.00 3.32 -1.08 -0.11 -0.01 116.67 119.43 3h12 s ASP 201 Ca 0.02 0.03 0.24 0.00 -0.52 0.00 0.00 52.55 52.31 3h12 s ASP 201 Cb -0.05 -0.18 0.40 0.00 -1.46 0.00 0.00 42.92 41.63 3h12 s ASP 201 CO 0.00 -0.25 1.38 0.00 0.52 0.00 0.00 175.17 176.82 3h12 n ALA 202 N 5.28 2.45 -4.33 3.66 0.00 -0.13 -1.01 120.51 126.43 3h12 n ALA 202 Ca -0.04 -0.82 -0.35 0.00 0.00 0.00 0.00 53.44 52.23 3h12 n ALA 202 Cb 0.50 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 3h12 n ALA 202 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h12 n ASN 203 N 1.29 -0.60 -0.60 0.00 3.02 -1.19 -1.16 115.26 116.02 3h12 n ASN 203 Ca 0.17 -1.20 -0.08 0.00 -0.03 0.00 0.00 54.58 53.44 3h12 n ASN 203 Cb 0.57 -1.93 -0.03 0.00 -0.61 0.00 0.00 39.78 37.78 3h12 n ASN 203 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h12 n GLN 204 N -4.38 -0.90 0.00 3.52 6.02 0.49 -4.59 117.38 117.55 3h12 n GLN 204 Ca -0.14 0.70 0.13 0.00 -0.01 0.00 0.00 57.00 57.68 3h12 n GLN 204 Cb 0.59 -4.64 0.38 0.00 1.02 0.00 0.00 30.24 27.59 3h12 n GLN 204 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3h12 n SER 205 N -0.08 0.39 -4.69 1.08 7.64 -0.31 -4.00 113.62 113.65 3h12 n SER 205 Ca -0.08 -0.10 -0.24 0.00 1.01 0.00 0.00 58.87 59.46 3h12 n SER 205 Cb 0.35 0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 3h12 n SER 205 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h12 s LEU 206 N -2.94 3.36 0.80 -3.43 1.43 -1.23 -4.47 118.68 112.19 3h12 s LEU 206 Ca 0.14 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3h12 s LEU 206 Cb 0.18 -1.93 0.16 0.00 0.03 0.00 0.00 46.19 44.63 3h12 s LEU 206 CO 0.63 0.03 1.09 -0.83 0.23 0.00 0.00 176.35 177.50 3h12 s GLY 207 N -3.44 1.77 0.17 -3.19 0.00 -1.26 -4.32 107.32 97.04 3h12 s GLY 207 Ca 0.30 -1.66 -0.12 0.00 0.00 0.00 0.00 44.72 43.24 3h12 s GLY 207 CO 0.20 -1.01 1.69 3.21 0.00 0.00 0.00 173.10 177.19 3h12 h ARG 208 N -0.86 0.89 -0.10 2.90 3.08 -1.97 -0.58 114.38 117.74 3h12 h ARG 208 Ca -0.38 -0.20 -0.21 0.00 0.07 0.00 0.00 59.98 59.27 3h12 h ARG 208 Cb 1.25 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3h12 h ARG 208 CO 0.38 0.81 -0.79 0.45 -1.07 0.00 0.00 179.97 179.75 3h12 h HIS 209 N 0.80 0.82 0.00 3.04 3.86 -1.99 0.23 115.15 121.91 3h12 h HIS 209 Ca 0.18 -0.38 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 3h12 h HIS 209 Cb 0.30 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 3h12 h HIS 209 CO 0.02 1.18 -0.23 -0.44 0.86 0.00 0.00 177.93 179.32 3h12 h ASP 210 N 0.40 0.00 0.05 2.45 3.32 -1.94 -1.72 116.42 118.99 3h12 h ASP 210 Ca -0.05 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.79 3h12 h ASP 210 Cb 1.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.95 3h12 h ASP 210 CO 0.15 0.23 -0.76 0.00 -1.72 0.00 0.00 179.24 177.14 3h12 h ALA 211 N 1.77 0.45 -0.65 3.45 0.00 -0.66 0.14 119.26 123.76 3h12 h ALA 211 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3h12 h ALA 211 Cb 0.62 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3h12 h ALA 211 CO 0.03 0.72 0.37 -0.07 0.00 0.00 0.00 179.25 180.31 3h12 h LEU 212 N 0.41 0.79 -0.60 0.00 3.38 -0.72 0.21 115.31 118.79 3h12 h LEU 212 Ca -0.04 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3h12 h LEU 212 Cb 1.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3h12 h LEU 212 CO 0.14 0.64 0.05 0.00 0.09 0.00 0.00 178.44 179.36 3h12 h ALA 213 N 1.19 0.80 -0.83 1.53 0.00 -0.97 -2.81 119.26 118.18 3h12 h ALA 213 Ca 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3h12 h ALA 213 Cb 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3h12 h ALA 213 CO -0.04 0.60 0.45 1.98 0.00 0.00 0.00 179.25 182.24 3h12 h MET 214 N 0.92 1.16 -0.67 0.00 1.85 -0.41 -2.72 114.93 115.06 3h12 h MET 214 Ca 0.18 -0.14 0.01 0.00 -0.61 0.00 0.00 59.70 59.14 3h12 h MET 214 Cb 0.49 -0.23 -0.03 0.00 0.43 0.00 0.00 31.60 32.26 3h12 h MET 214 CO 0.02 0.85 0.44 1.25 -0.40 0.00 0.00 176.91 179.08 3h12 h LEU 215 N 1.15 0.76 -0.89 3.39 5.85 -0.38 0.89 115.31 126.07 3h12 h LEU 215 Ca 0.29 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.02 3h12 h LEU 215 Cb 0.03 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3h12 h LEU 215 CO -0.05 0.55 0.58 0.03 -0.34 0.00 0.00 178.44 179.22 3h12 h ARG 216 N 0.90 1.13 -0.29 1.25 3.08 -1.23 0.40 114.38 119.62 3h12 h ARG 216 Ca 0.25 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 3h12 h ARG 216 Cb -0.09 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.70 3h12 h ARG 216 CO -0.06 0.74 -0.37 0.82 -1.07 0.00 0.00 179.97 180.04 3h12 h ILE 217 N 1.16 1.29 -0.52 2.04 1.08 -1.12 -1.34 117.51 120.10 3h12 h ILE 217 Ca 0.35 -1.52 -0.07 0.00 -0.39 0.00 0.00 64.86 63.23 3h12 h ILE 217 Cb -0.05 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 3h12 h ILE 217 CO -0.10 0.49 0.03 -0.07 -0.69 0.00 0.00 178.15 177.81 3h12 h LEU 218 N 0.54 0.81 -0.39 1.44 4.07 -0.42 -0.76 115.31 120.61 3h12 h LEU 218 Ca 0.05 -0.19 -0.03 0.00 0.08 0.00 0.00 57.88 57.79 3h12 h LEU 218 Cb 0.88 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 3h12 h LEU 218 CO 0.08 0.86 0.13 -0.78 -1.08 0.00 0.00 178.44 177.64 3h12 h ASP 219 N 0.80 0.57 -0.80 -0.43 1.82 -0.74 -0.20 116.42 117.43 3h12 h ASP 219 Ca 0.16 -0.20 0.01 0.00 -0.39 0.00 0.00 57.03 56.60 3h12 h ASP 219 Cb 0.43 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.25 3h12 h ASP 219 CO 0.02 0.62 0.53 -0.08 -1.61 0.00 0.00 179.24 178.71 3h12 h GLU 220 N 0.48 1.06 -0.01 0.28 4.57 -0.84 -0.84 114.58 119.29 3h12 h GLU 220 Ca 0.13 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3h12 h GLU 220 Cb 0.25 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3h12 h GLU 220 CO -0.00 0.71 0.00 0.00 -1.18 0.00 0.00 179.01 178.53 3h12 n ALA 221 N -2.41 2.61 -2.39 2.92 0.00 -0.33 -4.94 120.51 115.98 3h12 n ALA 221 Ca 0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.06 3h12 n ALA 221 Cb 0.03 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3h12 n ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h12 n GLY 222 N 1.11 -0.02 3.78 0.00 0.00 -0.32 -4.96 105.19 104.78 3h12 n GLY 222 Ca 0.21 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3h12 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h12 h TYR 224 N 1.55 0.90 -3.40 0.00 3.20 -1.36 -3.40 116.97 114.46 3h12 h TYR 224 Ca -0.50 -0.47 -0.04 0.00 3.14 0.00 0.00 58.73 60.87 3h12 h TYR 224 Cb 1.24 -0.11 -0.11 0.00 1.54 0.00 0.00 36.73 39.29 3h12 h TYR 224 CO 0.54 1.30 -0.03 1.67 -1.64 0.00 0.00 178.16 180.00 3h12 s TRP 225 N -3.38 -0.06 -0.29 -3.82 -2.14 -1.26 -1.94 118.94 106.06 3h12 s TRP 225 Ca -0.11 -0.29 0.03 0.00 2.66 0.00 0.00 56.10 58.39 3h12 s TRP 225 Cb 0.06 0.31 0.08 0.00 -3.10 0.00 0.00 33.47 30.82 3h12 s TRP 225 CO 0.88 -0.86 -0.03 0.12 -2.66 0.00 0.00 176.95 174.41 3h12 s PHE 226 N -3.88 3.27 -0.08 1.66 5.99 0.70 -1.77 117.98 123.88 3h12 s PHE 226 Ca 0.10 -2.50 -0.10 0.00 0.00 0.00 0.00 56.93 54.43 3h12 s PHE 226 Cb -0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 43.02 40.69 3h12 s PHE 226 CO -0.04 -0.89 0.24 -2.00 -0.00 0.00 0.00 175.22 172.53 3h12 s GLU 227 N 1.09 3.64 -1.16 10.12 2.12 0.99 -0.99 118.70 134.49 3h12 s GLU 227 Ca 0.01 0.08 -0.25 0.00 0.36 0.00 0.00 54.97 55.17 3h12 s GLU 227 Cb -0.19 -3.21 0.03 0.00 0.26 0.00 0.00 34.13 31.03 3h12 s GLU 227 CO -0.08 0.74 0.47 0.39 -0.54 0.00 0.00 175.26 176.24 3h12 n GLU 228 N 1.95 -0.43 0.23 4.30 1.02 -0.28 -0.96 120.64 126.47 3h12 n GLU 228 Ca -0.18 0.01 0.10 0.00 -0.02 0.00 0.00 57.16 57.07 3h12 n GLU 228 Cb 0.54 -2.35 0.54 0.00 -0.02 0.00 0.00 31.44 30.15 3h12 n GLU 228 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3h12 h PRO 229 N -1.96 0.00 -4.76 3.49 0.13 -1.79 0.14 132.00 127.24 3h12 h PRO 229 Ca -0.63 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.18 3h12 h PRO 229 Cb 1.26 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.25 3h12 h PRO 229 CO 0.51 0.22 -0.60 -0.51 -0.23 0.00 0.00 178.00 177.38 3h12 s LEU 230 N -7.16 1.44 0.20 1.56 1.43 -1.26 -3.52 118.68 111.38 3h12 s LEU 230 Ca -0.01 -1.43 -0.32 0.00 -1.03 0.00 0.00 54.13 51.35 3h12 s LEU 230 Cb 0.12 0.21 -0.15 0.00 0.03 0.00 0.00 46.19 46.40 3h12 s LEU 230 CO 0.63 -0.81 1.15 -0.24 0.23 0.00 0.00 176.35 177.31 3h12 n SER 231 N -0.49 1.43 0.14 2.29 2.88 -1.26 -4.31 113.62 114.31 3h12 n SER 231 Ca 0.01 1.15 0.10 0.00 -1.33 0.00 0.00 58.87 58.80 3h12 n SER 231 Cb 0.66 -1.25 0.51 0.00 -0.75 0.00 0.00 64.21 63.38 3h12 n SER 231 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3h12 n ILE 232 N 1.27 1.13 0.93 2.46 -5.35 -1.26 -1.39 119.36 117.15 3h12 n ILE 232 Ca 0.14 0.66 0.13 0.00 -0.27 0.00 0.00 62.75 63.41 3h12 n ILE 232 Cb 0.27 -1.65 0.50 0.00 -1.74 0.00 0.00 39.64 37.02 3h12 n ILE 232 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3h12 n ASP 233 N -2.16 0.24 -4.27 7.28 8.00 -1.26 -4.46 116.55 119.92 3h12 n ASP 233 Ca -0.01 0.36 -0.43 0.00 0.71 0.00 0.00 54.79 55.42 3h12 n ASP 233 Cb 0.05 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 3h12 n ASP 233 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h12 s ASP 234 N -3.28 6.89 0.19 -2.24 2.15 -0.48 -4.87 116.67 115.03 3h12 s ASP 234 Ca 0.13 -3.54 -0.09 0.00 0.43 0.00 0.00 52.55 49.48 3h12 s ASP 234 Cb 0.18 -2.12 0.08 0.00 -0.30 0.00 0.00 42.92 40.75 3h12 s ASP 234 CO 0.58 -0.29 1.66 0.40 -0.17 0.00 0.00 175.17 177.36 3h12 h ILE 235 N 3.90 1.27 -0.37 4.11 2.04 -1.83 -2.76 117.51 123.86 3h12 h ILE 235 Ca 0.16 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 3h12 h ILE 235 Cb 0.87 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3h12 h ILE 235 CO 0.94 0.41 0.13 -0.08 0.00 0.00 0.00 178.15 179.55 3h12 h GLU 236 N 1.02 0.52 -0.84 2.37 4.57 -1.95 -1.46 114.58 118.82 3h12 h GLU 236 Ca 0.19 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3h12 h GLU 236 Cb 0.51 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 3h12 h GLU 236 CO 0.02 0.45 0.42 0.78 -1.18 0.00 0.00 179.01 179.51 3h12 h GLY 237 N 0.70 1.27 0.99 1.92 0.00 -1.90 0.25 103.07 106.30 3h12 h GLY 237 Ca 0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 3h12 h GLY 237 CO -0.01 0.58 0.15 0.45 0.00 0.00 0.00 176.54 177.70 3h12 h HIS 238 N 1.18 0.87 -0.82 5.60 3.86 -1.18 -1.81 115.15 122.87 3h12 h HIS 238 Ca 0.29 -0.10 0.09 0.00 -1.16 0.00 0.00 60.37 59.50 3h12 h HIS 238 Cb 0.08 -0.25 -0.07 0.00 1.06 0.00 0.00 27.41 28.23 3h12 h HIS 238 CO 0.01 0.76 0.46 -0.09 0.86 0.00 0.00 177.93 179.93 3h12 h ARG 239 N 0.74 0.76 -0.63 2.45 2.43 -0.69 -0.43 114.38 119.01 3h12 h ARG 239 Ca 0.17 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3h12 h ARG 239 Cb 0.31 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3h12 h ARG 239 CO -0.00 0.50 0.37 0.82 -1.51 0.00 0.00 179.97 180.15 3h12 h ILE 240 N 0.78 1.19 -0.47 1.20 2.04 -0.66 0.17 117.51 121.76 3h12 h ILE 240 Ca 0.39 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3h12 h ILE 240 Cb 0.36 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3h12 h ILE 240 CO -0.25 0.20 0.03 -0.07 0.00 0.00 0.00 178.15 178.06 3h12 h LEU 241 N 0.85 0.79 -1.28 1.44 3.38 -0.94 -2.67 115.31 116.88 3h12 h LEU 241 Ca 0.22 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3h12 h LEU 241 Cb -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3h12 h LEU 241 CO -0.04 0.88 -0.33 -0.09 0.09 0.00 0.00 178.44 178.95 3h12 h ARG 242 N 0.67 0.05 0.00 1.13 2.43 -0.63 -2.54 114.38 115.50 3h12 h ARG 242 Ca 0.14 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3h12 h ARG 242 Cb 0.46 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3h12 h ARG 242 CO 0.02 0.38 0.00 0.00 -1.51 0.00 0.00 179.97 178.85 3h12 n ALA 243 N -2.48 1.71 0.29 2.80 0.00 0.56 -1.73 120.51 121.67 3h12 n ALA 243 Ca -0.02 -0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.54 3h12 n ALA 243 Cb 0.38 -1.24 0.74 0.00 0.00 0.00 0.00 19.45 19.33 3h12 n ALA 243 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3h12 h GLN 244 N 0.00 0.00 -0.57 0.00 1.08 -1.41 -3.47 115.11 110.74 3h12 h GLN 244 Ca 0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 3h12 h GLN 244 Cb 0.23 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3h12 h GLN 244 CO 0.00 0.00 -0.13 0.41 -0.95 0.00 0.00 178.83 178.16 3h12 n GLY 245 N -0.12 0.44 3.92 3.46 0.00 -0.71 -5.01 105.19 107.18 3h12 n GLY 245 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 3h12 n GLY 245 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h12 s THR 246 N -2.25 2.78 -2.00 2.61 -4.23 -1.26 -4.96 115.64 106.32 3h12 s THR 246 Ca 0.00 -0.14 0.18 0.00 -1.18 0.00 0.00 61.69 60.54 3h12 s THR 246 Cb 0.00 -3.17 0.50 0.00 1.34 0.00 0.00 72.50 71.17 3h12 s THR 246 CO 0.00 -0.18 1.62 -2.65 -0.54 0.00 0.00 174.62 172.87 3h12 n PRO 247 N -2.82 0.92 -3.18 3.99 -0.02 -1.26 -4.76 135.00 127.87 3h12 n PRO 247 Ca 0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.15 3h12 n PRO 247 Cb 0.59 -1.30 -0.06 0.00 -0.02 0.00 0.00 33.50 32.71 3h12 n PRO 247 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h12 s VAL 248 N -2.00 5.06 0.36 -1.45 1.01 -1.26 -4.92 120.40 117.20 3h12 s VAL 248 Ca 0.26 1.05 -0.27 0.00 0.00 0.00 0.00 61.98 63.03 3h12 s VAL 248 Cb 0.12 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 3h12 s VAL 248 CO 0.20 0.13 1.14 -0.13 0.00 0.00 0.00 175.10 176.45 3h12 s ARG 249 N 1.88 4.27 -0.21 2.72 0.52 -0.82 -4.86 118.95 122.45 3h12 s ARG 249 Ca 0.26 1.81 -0.16 0.00 -0.52 0.00 0.00 55.73 57.12 3h12 s ARG 249 Cb -0.16 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 3h12 s ARG 249 CO 0.10 -0.12 0.40 0.42 0.02 0.00 0.00 175.30 176.11 3h12 s ILE 250 N -1.35 5.20 -0.02 1.52 -1.09 -1.26 -0.22 121.20 123.97 3h12 s ILE 250 Ca 0.53 0.69 0.06 0.00 -2.23 0.00 0.00 60.65 59.70 3h12 s ILE 250 Cb -0.31 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 3h12 s ILE 250 CO 0.39 0.24 -0.20 0.00 -1.23 0.00 0.00 174.94 174.14 3h12 s ALA 251 N 1.39 1.68 0.20 9.38 0.00 -0.16 -0.63 121.76 133.62 3h12 s ALA 251 Ca 0.19 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 51.08 3h12 s ALA 251 Cb -0.15 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.57 3h12 s ALA 251 CO 0.08 0.39 0.61 -0.08 0.00 0.00 0.00 175.76 176.76 3h12 s THR 252 N -0.38 0.01 0.00 0.00 -1.32 -1.02 -1.13 115.64 111.79 3h12 s THR 252 Ca 0.06 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 3h12 s THR 252 Cb -0.09 -1.37 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 3h12 s THR 252 CO -0.00 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 3h12 n GLY 253 N -0.39 0.25 0.31 6.08 0.00 -1.26 -0.76 105.19 109.42 3h12 n GLY 253 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3h12 n GLY 253 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h12 h GLU 254 N 0.00 0.00 -0.19 1.61 4.11 -1.96 -2.60 114.58 115.55 3h12 h GLU 254 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3h12 h GLU 254 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3h12 h GLU 254 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 3h12 n ASN 255 N -4.14 3.23 -4.78 3.06 5.03 -1.26 -4.90 115.26 111.50 3h12 n ASN 255 Ca 0.00 -2.80 -0.32 0.00 0.87 0.00 0.00 54.58 52.33 3h12 n ASN 255 Cb 0.22 -0.43 -0.07 0.00 -1.02 0.00 0.00 39.78 38.49 3h12 n ASN 255 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3h12 s LEU 256 N -2.42 3.86 -0.03 3.41 1.43 -0.98 -5.04 118.68 118.91 3h12 s LEU 256 Ca 0.34 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 3h12 s LEU 256 Cb 0.27 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3h12 s LEU 256 CO 0.08 0.22 -0.11 -0.31 0.23 0.00 0.00 176.35 176.46 3h12 s TYR 257 N -1.29 1.18 0.40 0.29 2.02 -1.26 -4.61 117.35 114.07 3h12 s TYR 257 Ca 0.26 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 3h12 s TYR 257 Cb -0.12 -0.82 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 3h12 s TYR 257 CO 0.18 -0.12 0.00 0.25 -1.57 0.00 0.00 175.55 174.29 3h12 n THR 258 N 3.27 -0.58 0.29 -0.71 -2.24 0.43 -3.65 114.28 111.10 3h12 n THR 258 Ca -0.18 0.60 0.16 0.00 -2.27 0.00 0.00 64.05 62.36 3h12 n THR 258 Cb 0.54 -0.91 0.90 0.00 -2.10 0.00 0.00 70.33 68.76 3h12 n THR 258 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3h12 h ARG 259 N -0.91 0.00 -0.92 -0.78 0.11 -1.87 -2.67 114.38 107.34 3h12 h ARG 259 Ca -0.13 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.99 3h12 h ARG 259 Cb 0.88 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.91 3h12 h ARG 259 CO 0.05 0.04 0.60 -0.91 0.10 0.00 0.00 179.97 179.86 3h12 h ASN 260 N 0.00 1.00 -0.34 0.08 4.21 -1.98 -0.34 115.58 118.21 3h12 h ASN 260 Ca -0.00 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 3h12 h ASN 260 Cb 0.15 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.11 3h12 h ASN 260 CO 0.01 0.69 0.10 0.00 -1.29 0.00 0.00 177.43 176.93 3h12 h ALA 261 N 1.46 0.44 -0.08 -0.83 0.00 -1.54 -2.48 119.26 116.23 3h12 h ALA 261 Ca 0.36 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3h12 h ALA 261 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h12 h ALA 261 CO -0.11 0.09 -0.40 0.74 0.00 0.00 0.00 179.25 179.58 3h12 h PHE 262 N 0.39 0.19 -0.57 0.00 0.04 -1.55 -2.52 116.94 112.93 3h12 h PHE 262 Ca 0.11 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.74 3h12 h PHE 262 Cb 0.27 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 3h12 h PHE 262 CO 0.01 0.54 0.02 -0.97 -0.60 0.00 0.00 178.31 177.31 3h12 h ASN 263 N 0.14 0.94 -0.52 2.17 -1.24 -0.94 0.03 115.58 116.17 3h12 h ASN 263 Ca 0.01 -0.25 -0.06 0.00 0.71 0.00 0.00 56.30 56.72 3h12 h ASN 263 Cb 0.77 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.54 3h12 h ASN 263 CO 0.06 0.99 0.13 0.44 -1.29 0.00 0.00 177.43 177.76 3h12 h ASP 264 N 0.90 0.83 -0.35 1.15 3.32 -1.07 0.93 116.42 122.13 3h12 h ASP 264 Ca 0.17 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3h12 h ASP 264 Cb 0.50 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3h12 h ASP 264 CO 0.02 0.82 0.04 1.88 -1.72 0.00 0.00 179.24 180.28 3h12 h TYR 265 N 0.85 0.64 -0.31 4.55 -1.99 -1.04 -2.76 116.97 116.90 3h12 h TYR 265 Ca 0.18 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.83 3h12 h TYR 265 Cb 0.32 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 3h12 h TYR 265 CO 0.02 0.66 0.18 0.82 -0.00 0.00 0.00 178.16 179.84 3h12 h ILE 266 N 0.43 1.02 -0.80 -2.88 2.04 -0.67 -1.03 117.51 115.62 3h12 h ILE 266 Ca 0.11 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 65.98 3h12 h ILE 266 Cb 0.38 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 3h12 h ILE 266 CO 0.01 0.07 0.53 0.03 0.00 0.00 0.00 178.15 178.78 3h12 h ARG 267 N 0.36 0.54 -0.65 2.37 3.08 -0.79 -1.12 114.38 118.17 3h12 h ARG 267 Ca 0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3h12 h ARG 267 Cb 0.01 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3h12 h ARG 267 CO -0.06 0.36 0.00 0.09 -1.07 0.00 0.00 179.97 179.28 3h12 n ASN 268 N -4.51 4.78 -3.68 7.04 3.02 -0.93 -4.95 115.26 116.03 3h12 n ASN 268 Ca 0.15 -2.46 -0.25 0.00 -0.03 0.00 0.00 54.58 52.00 3h12 n ASN 268 Cb 0.47 -0.58 0.06 0.00 -0.61 0.00 0.00 39.78 39.13 3h12 n ASN 268 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3h12 n ASP 269 N 1.12 -5.17 -0.19 6.41 8.00 -0.42 -4.71 116.55 121.58 3h12 n ASP 269 Ca 0.26 -0.64 0.02 0.00 0.71 0.00 0.00 54.79 55.14 3h12 n ASP 269 Cb 0.90 -4.65 0.04 0.00 -0.02 0.00 0.00 41.12 37.39 3h12 n ASP 269 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h12 n ALA 270 N -4.79 2.16 -3.23 2.24 0.00 -0.44 -4.50 120.51 111.96 3h12 n ALA 270 Ca -0.03 -0.93 -0.13 0.00 0.00 0.00 0.00 53.44 52.35 3h12 n ALA 270 Cb 0.57 -0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 3h12 n ALA 270 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3h12 s ILE 271 N -0.84 0.02 -0.14 0.00 2.07 -1.26 -4.21 121.20 116.85 3h12 s ILE 271 Ca 0.07 -0.20 0.07 0.00 -1.41 0.00 0.00 60.65 59.17 3h12 s ILE 271 Cb 0.04 -0.52 -0.13 0.00 0.13 0.00 0.00 42.46 41.97 3h12 s ILE 271 CO 0.05 -0.11 -0.04 0.47 -1.91 0.00 0.00 174.94 173.40 3h12 n ASP 272 N 2.24 2.29 -3.94 4.50 8.00 0.20 -4.93 116.55 124.90 3h12 n ASP 272 Ca -0.16 -0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.00 3h12 n ASP 272 Cb 0.57 0.31 -0.16 0.00 -0.02 0.00 0.00 41.12 41.82 3h12 n ASP 272 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h12 s VAL 273 N -2.31 1.36 0.02 2.53 1.01 -0.62 -2.11 120.40 120.29 3h12 s VAL 273 Ca -0.13 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 3h12 s VAL 273 Cb 0.05 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 3h12 s VAL 273 CO 0.45 0.15 0.75 -0.76 0.00 0.00 0.00 175.10 175.70 3h12 s LEU 274 N 1.52 4.42 -0.21 3.92 1.02 0.51 -2.45 118.68 127.41 3h12 s LEU 274 Ca -0.00 1.39 0.12 0.00 0.02 0.00 0.00 54.13 55.66 3h12 s LEU 274 Cb -0.16 -3.20 0.42 0.00 0.02 0.00 0.00 46.19 43.27 3h12 s LEU 274 CO -0.08 -0.02 1.27 0.00 0.02 0.00 0.00 176.35 177.54 3h12 n GLN 275 N 3.04 1.64 -1.63 1.70 6.02 0.06 -1.24 117.38 126.97 3h12 n GLN 275 Ca -0.02 -3.15 -0.49 0.00 -0.01 0.00 0.00 57.00 53.33 3h12 n GLN 275 Cb 0.50 -1.65 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 3h12 n GLN 275 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h12 n ALA 276 N -1.15 0.22 -2.70 -1.58 0.00 -1.26 -1.40 120.51 112.64 3h12 n ALA 276 Ca 0.21 0.48 -0.36 0.00 0.00 0.00 0.00 53.44 53.77 3h12 n ALA 276 Cb 0.76 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.90 3h12 n ALA 276 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h12 s ASP 277 N 0.65 6.04 0.55 0.00 -1.08 -1.26 -4.37 116.67 117.19 3h12 s ASP 277 Ca 0.81 0.11 0.32 0.00 -0.52 0.00 0.00 52.55 53.27 3h12 s ASP 277 Cb -0.81 -2.08 1.49 0.00 -1.46 0.00 0.00 42.92 40.06 3h12 s ASP 277 CO 0.43 0.09 1.86 0.00 0.52 0.00 0.00 175.17 178.07 3h12 h ALA 278 N 7.32 2.82 -0.02 3.66 0.00 -1.81 0.38 119.26 131.61 3h12 h ALA 278 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3h12 h ALA 278 Cb 1.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3h12 h ALA 278 CO 0.67 -1.13 0.00 -1.13 0.00 0.00 0.00 179.25 177.66 3h12 n SER 279 N -4.16 1.54 0.00 0.00 3.41 -1.26 -1.19 113.62 111.96 3h12 n SER 279 Ca 0.19 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 3h12 n SER 279 Cb 0.99 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 3h12 n SER 279 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h12 n ARG 280 N 0.20 0.00 0.00 4.33 1.74 -0.54 -3.57 116.66 118.82 3h12 n ARG 280 Ca 0.19 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.41 3h12 n ARG 280 Cb 0.36 -0.61 0.68 0.00 -1.02 0.00 0.00 32.46 31.87 3h12 n ARG 280 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h12 n ALA 281 N -2.42 2.70 0.00 7.54 0.00 0.01 -2.94 120.51 125.40 3h12 n ALA 281 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3h12 n ALA 281 Cb 0.32 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3h12 n ALA 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h12 n GLY 282 N 1.18 0.01 0.00 0.00 0.00 -1.26 -0.43 105.19 104.69 3h12 n GLY 282 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3h12 n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h12 n GLY 283 N 0.00 1.60 0.34 -0.02 0.00 -0.33 -3.85 105.19 102.92 3h12 n GLY 283 Ca 0.00 -2.23 0.02 0.00 0.00 0.00 0.00 46.02 43.82 3h12 n GLY 283 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h12 h ILE 284 N 0.25 1.02 -0.67 -0.61 2.04 -1.82 0.21 117.51 117.92 3h12 h ILE 284 Ca 0.00 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3h12 h ILE 284 Cb 0.00 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 35.97 3h12 h ILE 284 CO 0.00 0.18 0.44 0.74 0.00 0.00 0.00 178.15 179.51 3h12 h THR 285 N 1.01 1.16 0.00 -0.27 2.02 -1.90 -0.75 112.91 114.18 3h12 h THR 285 Ca 0.41 -0.31 -0.24 0.00 0.77 0.00 0.00 66.41 67.05 3h12 h THR 285 Cb 0.24 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3h12 h THR 285 CO -0.20 0.16 -0.97 -0.08 0.37 0.00 0.00 175.52 174.81 3h12 h GLU 286 N 0.89 0.47 -0.04 6.66 4.57 -1.71 -3.14 114.58 122.28 3h12 h GLU 286 Ca 0.25 -0.51 -0.07 0.00 -1.18 0.00 0.00 59.36 57.85 3h12 h GLU 286 Cb -0.08 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 3h12 h GLU 286 CO -0.06 1.15 -0.32 0.00 -1.18 0.00 0.00 179.01 178.60 3h12 h ALA 287 N 0.67 1.40 -0.50 2.92 0.00 -0.77 -0.51 119.26 122.46 3h12 h ALA 287 Ca -0.09 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.55 3h12 h ALA 287 Cb 1.61 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 3h12 h ALA 287 CO 0.17 0.44 0.28 -0.07 0.00 0.00 0.00 179.25 180.07 3h12 h LEU 288 N 0.06 0.42 -0.49 0.00 3.38 -1.12 0.18 115.31 117.74 3h12 h LEU 288 Ca 0.01 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3h12 h LEU 288 Cb 0.60 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3h12 h LEU 288 CO 0.04 0.29 -0.25 0.00 0.09 0.00 0.00 178.44 178.62 3h12 h ALA 289 N 1.25 0.68 -0.48 1.53 0.00 -1.35 -2.17 119.26 118.71 3h12 h ALA 289 Ca 0.21 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3h12 h ALA 289 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h12 h ALA 289 CO -0.13 0.67 -0.04 0.82 0.00 0.00 0.00 179.25 180.58 3h12 h ILE 290 N 0.83 1.25 -0.57 0.00 2.04 -0.69 -0.94 117.51 119.44 3h12 h ILE 290 Ca 0.10 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 3h12 h ILE 290 Cb 0.83 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3h12 h ILE 290 CO 0.07 0.38 0.28 -1.28 0.00 0.00 0.00 178.15 177.60 3h12 h SER 291 N 0.76 0.73 -0.48 1.72 0.87 -0.56 0.10 113.55 116.70 3h12 h SER 291 Ca 0.14 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 3h12 h SER 291 Cb 0.51 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3h12 h SER 291 CO 0.03 0.65 -0.11 0.00 -0.53 0.00 0.00 176.83 176.86 3h12 h ALA 292 N 1.11 0.84 -0.44 6.23 0.00 -1.21 -1.92 119.26 123.86 3h12 h ALA 292 Ca 0.20 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3h12 h ALA 292 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h12 h ALA 292 CO -0.03 0.65 -0.16 0.77 0.00 0.00 0.00 179.25 180.48 3h12 h SER 293 N 0.85 0.86 -0.43 0.00 0.02 -0.76 -0.40 113.55 113.68 3h12 h SER 293 Ca 0.13 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3h12 h SER 293 Cb 0.65 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3h12 h SER 293 CO 0.05 1.01 0.28 0.00 -1.14 0.00 0.00 176.83 177.03 3h12 h ALA 294 N 1.06 0.55 -0.46 3.77 0.00 -0.52 -2.50 119.26 121.16 3h12 h ALA 294 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3h12 h ALA 294 Cb 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3h12 h ALA 294 CO 0.05 -0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.42 3h12 h ALA 295 N 1.17 0.61 -0.84 0.00 0.00 -1.01 -0.52 119.26 118.67 3h12 h ALA 295 Ca 0.16 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.04 3h12 h ALA 295 Cb -0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 3h12 h ALA 295 CO -0.05 0.27 0.55 0.77 0.00 0.00 0.00 179.25 180.79 3h12 h SER 296 N 0.62 0.51 -0.34 0.00 0.02 -0.90 -1.10 113.55 112.37 3h12 h SER 296 Ca 0.15 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3h12 h SER 296 Cb 0.28 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3h12 h SER 296 CO -0.00 0.26 0.00 0.00 -1.14 0.00 0.00 176.83 175.94 3h12 n ALA 297 N -2.48 2.62 -2.73 3.77 0.00 -0.90 -4.91 120.51 115.89 3h12 n ALA 297 Ca 0.16 -0.69 -0.22 0.00 0.00 0.00 0.00 53.44 52.69 3h12 n ALA 297 Cb 0.52 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.99 3h12 n ALA 297 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h12 n HIS 298 N 0.48 -1.52 -4.07 0.00 8.25 -0.42 -5.02 115.22 112.93 3h12 n HIS 298 Ca 0.12 0.27 -0.24 0.00 -0.26 0.00 0.00 57.72 57.61 3h12 n HIS 298 Cb 0.40 -4.25 -0.02 0.00 1.12 0.00 0.00 29.99 27.24 3h12 n HIS 298 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h12 n LEU 299 N -3.55 0.00 -4.51 2.41 4.77 -0.25 -5.02 117.00 110.84 3h12 n LEU 299 Ca -0.18 -2.59 -0.27 0.00 -0.03 0.00 0.00 56.01 52.94 3h12 n LEU 299 Cb 0.65 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 3h12 n LEU 299 CO 0.39 -0.50 -0.46 0.00 -1.33 0.00 0.00 177.39 175.48 3h12 s ALA 300 N -2.71 2.78 -0.19 -1.18 0.00 -0.89 -3.73 121.76 115.83 3h12 s ALA 300 Ca 0.20 -1.54 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 3h12 s ALA 300 Cb -0.02 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.54 3h12 s ALA 300 CO 0.12 0.45 -0.16 -0.46 0.00 0.00 0.00 175.76 175.72 3h12 s TRP 301 N -1.68 2.82 -0.29 0.00 -0.00 -1.26 -0.36 118.94 118.17 3h12 s TRP 301 Ca 0.23 -1.42 -0.03 0.00 -0.00 0.00 0.00 56.10 54.88 3h12 s TRP 301 Cb -0.08 -1.96 0.10 0.00 -0.00 0.00 0.00 33.47 31.52 3h12 s TRP 301 CO 0.13 -0.71 0.11 -0.80 -0.00 0.00 0.00 176.95 175.68 3h12 s ASN 302 N 1.28 3.62 0.54 5.86 0.01 -0.37 -4.87 114.94 121.00 3h12 s ASN 302 Ca 0.04 -1.35 -0.21 0.00 -0.71 0.00 0.00 52.86 50.62 3h12 s ASN 302 Cb -0.14 -0.53 -0.05 0.00 0.41 0.00 0.00 41.25 40.94 3h12 s ASN 302 CO -0.09 -0.42 1.27 -2.16 -1.51 0.00 0.00 177.10 174.19 3h12 s PRO 303 N 1.92 3.26 0.41 -0.60 0.04 -1.26 -4.14 135.00 134.63 3h12 s PRO 303 Ca 0.08 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 3h12 s PRO 303 Cb -0.16 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 3h12 s PRO 303 CO -0.30 -1.03 1.28 -1.58 0.04 0.00 0.00 177.00 175.41 3h12 s HIS 304 N -1.44 2.84 0.00 0.56 5.65 -0.49 -4.35 115.29 118.07 3h12 s HIS 304 Ca 0.71 1.44 0.00 0.00 0.25 0.00 0.00 55.06 57.46 3h12 s HIS 304 Cb -0.35 -3.61 0.00 0.00 -1.18 0.00 0.00 32.58 27.44 3h12 s HIS 304 CO 0.41 -1.96 0.30 0.25 -0.65 0.00 0.00 174.74 173.09 3h12 n THR 305 N 0.05 0.09 -2.66 0.89 -2.24 -1.26 -4.30 114.28 104.84 3h12 n THR 305 Ca 0.04 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3h12 n THR 305 Cb 0.44 1.44 -0.03 0.00 -2.10 0.00 0.00 70.33 70.08 3h12 n THR 305 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3h12 s PHE 306 N -0.09 2.54 0.18 4.78 5.36 -1.26 -3.67 117.98 125.81 3h12 s PHE 306 Ca 0.00 0.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 3h12 s PHE 306 Cb 0.00 -4.44 0.00 0.00 -0.34 0.00 0.00 43.02 38.24 3h12 s PHE 306 CO 0.00 -1.72 0.00 -1.71 -1.46 0.00 0.00 175.22 170.33 3h12 n ASN 307 N 8.48 -1.58 -3.48 6.13 2.85 -1.26 -4.71 115.26 121.70 3h12 n ASN 307 Ca 0.04 0.41 -0.09 0.00 -0.11 0.00 0.00 54.58 54.83 3h12 n ASN 307 Cb 0.48 1.70 -0.01 0.00 1.24 0.00 0.00 39.78 43.19 3h12 n ASN 307 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 3h12 s ASP 308 N -2.00 -0.00 0.50 1.20 1.47 -1.26 -4.85 116.67 111.73 3h12 s ASP 308 Ca 0.00 -0.96 0.28 0.00 1.18 0.00 0.00 52.55 53.05 3h12 s ASP 308 Cb 0.00 0.74 1.28 0.00 -0.34 0.00 0.00 42.92 44.60 3h12 s ASP 308 CO 0.00 -1.43 1.98 -0.29 0.68 0.00 0.00 175.17 176.10 3h12 h ILE 309 N 2.06 0.47 -0.09 2.11 6.09 -1.77 -1.18 117.51 125.19 3h12 h ILE 309 Ca -0.26 -0.75 -0.13 0.00 -1.37 0.00 0.00 64.86 62.36 3h12 h ILE 309 Cb 1.25 1.52 0.01 0.00 0.47 0.00 0.00 36.82 40.06 3h12 h ILE 309 CO 0.33 0.14 -0.44 0.40 -3.07 0.00 0.00 178.15 175.51 3h12 h ILE 310 N 0.00 1.39 -0.28 2.19 2.04 -1.97 0.96 117.51 121.84 3h12 h ILE 310 Ca -0.00 -1.80 -0.08 0.00 1.00 0.00 0.00 64.86 63.97 3h12 h ILE 310 Cb 0.51 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 3h12 h ILE 310 CO 0.02 0.53 -0.17 0.71 0.00 0.00 0.00 178.15 179.24 3h12 h THR 311 N 0.01 1.24 0.42 -0.27 1.35 -1.75 0.11 112.91 114.02 3h12 h THR 311 Ca -0.03 -1.11 -0.02 0.00 -0.55 0.00 0.00 66.41 64.70 3h12 h THR 311 Cb 1.09 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3h12 h THR 311 CO 0.09 0.36 -0.20 0.58 -0.25 0.00 0.00 175.52 176.10 3h12 h VAL 312 N 0.45 0.59 -0.57 6.82 2.07 -1.20 -2.58 116.25 121.84 3h12 h VAL 312 Ca 0.08 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 3h12 h VAL 312 Cb 0.56 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3h12 h VAL 312 CO 0.04 0.02 0.04 0.00 0.02 0.00 0.00 177.57 177.69 3h12 h ALA 313 N -0.07 1.00 -0.25 1.67 0.00 -0.36 0.37 119.26 121.62 3h12 h ALA 313 Ca -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3h12 h ALA 313 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3h12 h ALA 313 CO 0.09 0.62 0.14 0.00 0.00 0.00 0.00 179.25 180.10 3h12 h ALA 314 N 1.15 0.32 -0.51 0.00 0.00 -0.81 -1.45 119.26 117.96 3h12 h ALA 314 Ca 0.17 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3h12 h ALA 314 Cb 0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3h12 h ALA 314 CO 0.02 -0.14 0.03 -0.91 0.00 0.00 0.00 179.25 178.25 3h12 h ASN 315 N 0.29 0.80 -0.54 0.00 4.21 -1.24 -3.09 115.58 116.02 3h12 h ASN 315 Ca 0.09 -0.19 -0.04 0.00 1.21 0.00 0.00 56.30 57.37 3h12 h ASN 315 Cb 0.07 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 3h12 h ASN 315 CO -0.01 0.85 0.19 0.25 -1.29 0.00 0.00 177.43 177.42 3h12 h LEU 316 N 0.79 0.80 -0.47 1.61 5.85 -0.25 0.81 115.31 124.45 3h12 h LEU 316 Ca 0.16 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3h12 h LEU 316 Cb 0.43 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3h12 h LEU 316 CO 0.02 0.75 0.29 0.45 -0.34 0.00 0.00 178.44 179.60 3h12 h HIS 317 N 0.85 0.54 -0.40 1.25 3.86 -1.21 -0.04 115.15 119.99 3h12 h HIS 317 Ca 0.19 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.26 3h12 h HIS 317 Cb 0.23 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3h12 h HIS 317 CO 0.02 0.31 -0.36 -0.07 0.86 0.00 0.00 177.93 178.69 3h12 h LEU 318 N 0.57 1.01 -0.46 2.43 4.07 -1.40 -2.69 115.31 118.85 3h12 h LEU 318 Ca 0.19 -0.45 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 3h12 h LEU 318 Cb 0.00 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.44 3h12 h LEU 318 CO -0.08 1.25 0.21 0.58 -1.08 0.00 0.00 178.44 179.33 3h12 h VAL 319 N 0.79 1.19 -0.26 1.22 2.07 -0.72 -1.58 116.25 118.95 3h12 h VAL 319 Ca 0.07 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3h12 h VAL 319 Cb 0.95 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3h12 h VAL 319 CO 0.09 0.21 0.17 0.00 0.02 0.00 0.00 177.57 178.06 3h12 h ALA 320 N 1.06 1.81 -0.01 1.67 0.00 -0.91 -2.12 119.26 120.76 3h12 h ALA 320 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3h12 h ALA 320 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h12 h ALA 320 CO -0.02 0.18 -0.18 0.00 0.00 0.00 0.00 179.25 179.23 3h12 n ALA 321 N -2.50 2.91 -2.79 0.00 0.00 -0.70 -0.33 120.51 117.10 3h12 n ALA 321 Ca 0.01 -0.34 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 3h12 n ALA 321 Cb 0.07 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 3h12 n ALA 321 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h12 s SER 322 N -2.48 5.70 -0.70 0.00 0.01 -0.68 -4.07 113.70 111.49 3h12 s SER 322 Ca 0.27 0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.60 3h12 s SER 322 Cb 0.20 -1.63 -0.11 0.00 0.21 0.00 0.00 66.02 64.69 3h12 s SER 322 CO 0.49 0.25 3.12 -0.81 0.41 0.00 0.00 173.24 176.71 3h12 n PRO 323 N 1.05 2.88 -4.38 12.44 -0.04 -1.26 -4.67 135.00 141.02 3h12 n PRO 323 Ca -0.12 -1.91 -0.26 0.00 -0.04 0.00 0.00 63.50 61.17 3h12 n PRO 323 Cb 0.52 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.56 3h12 n PRO 323 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3h12 s HIS 324 N 0.49 2.44 0.36 0.54 3.76 -1.26 -5.03 115.29 116.59 3h12 s HIS 324 Ca 0.65 -0.30 -0.28 0.00 -0.15 0.00 0.00 55.06 54.97 3h12 s HIS 324 Cb 0.28 -1.18 -0.11 0.00 1.11 0.00 0.00 32.58 32.68 3h12 s HIS 324 CO -0.07 0.54 1.47 -2.30 -0.85 0.00 0.00 174.74 173.53 3h12 n PRO 325 N 0.02 2.59 -3.11 8.40 -0.02 -1.26 -4.92 135.00 136.70 3h12 n PRO 325 Ca -0.11 0.91 -0.39 0.00 -2.02 0.00 0.00 63.50 61.89 3h12 n PRO 325 Cb 0.56 -2.62 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 3h12 n PRO 325 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h12 s ALA 326 N -0.95 3.46 -0.46 3.55 0.00 -1.26 -4.90 121.76 121.21 3h12 s ALA 326 Ca 0.55 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.74 3h12 s ALA 326 Cb -0.50 -2.84 0.19 0.00 0.00 0.00 0.00 23.12 19.98 3h12 s ALA 326 CO 0.61 0.21 0.57 -0.12 0.00 0.00 0.00 175.76 177.03 3h12 n MET 327 N 2.33 0.45 -3.40 0.00 0.00 -1.22 -4.55 117.12 110.72 3h12 n MET 327 Ca -0.06 -2.58 -0.41 0.00 0.00 0.00 0.00 57.70 54.65 3h12 n MET 327 Cb 0.50 -1.52 -0.09 0.00 0.00 0.00 0.00 33.22 32.11 3h12 n MET 327 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 3h12 s PHE 328 N 0.30 3.21 0.11 1.12 5.36 -0.06 -4.78 117.98 123.23 3h12 s PHE 328 Ca 0.32 -0.03 -0.31 0.00 -0.96 0.00 0.00 56.93 55.95 3h12 s PHE 328 Cb 0.06 -2.67 -0.09 0.00 -0.34 0.00 0.00 43.02 39.98 3h12 s PHE 328 CO -0.14 -0.43 1.59 -2.00 -1.46 0.00 0.00 175.22 172.77 3h12 s GLU 329 N 2.01 4.22 -0.18 10.12 2.12 -1.26 -0.27 118.70 135.45 3h12 s GLU 329 Ca 0.12 2.31 -0.01 0.00 0.36 0.00 0.00 54.97 57.75 3h12 s GLU 329 Cb -0.17 -3.38 0.05 0.00 0.26 0.00 0.00 34.13 30.90 3h12 s GLU 329 CO 0.12 -0.65 -0.02 -0.46 -0.54 0.00 0.00 175.26 173.71 3h12 s TRP 330 N 1.87 1.53 -0.11 5.30 -0.11 -0.49 -4.71 118.94 122.21 3h12 s TRP 330 Ca 0.71 -1.07 -0.29 0.00 1.22 0.00 0.00 56.10 56.67 3h12 s TRP 330 Cb -0.41 -1.23 -0.06 0.00 -1.50 0.00 0.00 33.47 30.27 3h12 s TRP 330 CO 0.31 -0.62 2.05 0.34 -4.62 0.00 0.00 176.95 174.41 3h12 s ASP 331 N 1.69 5.96 0.00 5.86 -1.08 -1.26 -1.07 116.67 126.77 3h12 s ASP 331 Ca -0.01 2.18 0.15 0.00 -0.52 0.00 0.00 52.55 54.35 3h12 s ASP 331 Cb -0.16 -2.52 0.38 0.00 -1.46 0.00 0.00 42.92 39.16 3h12 s ASP 331 CO -0.07 -1.52 1.30 2.30 0.52 0.00 0.00 175.17 177.71 3h12 n ILE 332 N 6.71 0.88 -1.87 4.11 -6.64 -0.32 -4.91 119.36 117.32 3h12 n ILE 332 Ca 0.25 -0.94 -0.30 0.00 -1.77 0.00 0.00 62.75 59.99 3h12 n ILE 332 Cb 0.43 0.60 0.16 0.00 -1.44 0.00 0.00 39.64 39.40 3h12 n ILE 332 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 3h12 s THR 333 N -1.03 1.98 -0.21 7.28 -4.23 -1.26 -4.95 115.64 113.22 3h12 s THR 333 Ca 0.30 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.52 3h12 s THR 333 Cb 0.16 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 3h12 s THR 333 CO 0.21 0.00 1.57 -2.28 -0.54 0.00 0.00 174.62 173.59 3h12 s HIS 334 N -3.75 2.18 -0.29 3.99 2.46 -1.26 -4.92 115.29 113.71 3h12 s HIS 334 Ca 0.70 0.57 0.03 0.00 0.47 0.00 0.00 55.06 56.83 3h12 s HIS 334 Cb -0.06 -3.95 0.18 0.00 -0.13 0.00 0.00 32.58 28.62 3h12 s HIS 334 CO 0.52 -2.84 0.51 1.21 -2.47 0.00 0.00 174.74 171.67 3h12 s ASN 335 N 3.93 -0.71 0.60 9.88 3.84 -1.26 -4.91 114.94 126.30 3h12 s ASN 335 Ca 0.69 0.09 0.35 0.00 0.21 0.00 0.00 52.86 54.21 3h12 s ASN 335 Cb -0.25 1.64 1.90 0.00 -0.55 0.00 0.00 41.25 43.99 3h12 s ASN 335 CO 0.28 -0.31 2.22 0.44 -2.79 0.00 0.00 177.10 176.93 3h12 h ASP 336 N 8.07 0.00 0.63 -4.21 3.32 -1.91 -0.55 116.42 121.77 3h12 h ASP 336 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3h12 h ASP 336 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3h12 h ASP 336 CO 0.22 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.95 3h12 n LEU 337 N -3.39 0.00 0.02 1.55 4.77 -1.26 -0.77 117.00 117.92 3h12 n LEU 337 Ca -0.02 0.46 0.12 0.00 -0.03 0.00 0.00 56.01 56.53 3h12 n LEU 337 Cb 0.15 -0.46 0.14 0.00 -2.33 0.00 0.00 43.42 40.93 3h12 n LEU 337 CO 0.25 -0.14 0.27 0.23 -1.33 0.00 0.00 177.39 176.67 3h12 n MET 338 N -1.46 0.16 0.00 3.23 2.81 -0.22 -2.14 117.12 119.51 3h12 n MET 338 Ca 0.06 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 3h12 n MET 338 Cb 0.22 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3h12 n MET 338 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3h12 n THR 339 N -1.80 0.00 0.25 2.03 -2.24 -0.91 -4.79 114.28 106.82 3h12 n THR 339 Ca 0.04 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.84 3h12 n THR 339 Cb 0.39 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 3h12 n THR 339 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h12 n ARG 340 N -1.97 4.87 0.09 -0.78 1.74 0.05 -4.58 116.66 116.09 3h12 n ARG 340 Ca 0.00 -0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 56.88 3h12 n ARG 340 Cb 0.47 -0.78 -0.14 0.00 -1.02 0.00 0.00 32.46 30.99 3h12 n ARG 340 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h12 h LEU 341 N 0.08 0.34 -8.09 0.55 5.85 -1.78 -3.43 115.31 108.83 3h12 h LEU 341 Ca 0.00 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 3h12 h LEU 341 Cb 0.13 -0.11 -0.14 0.00 0.37 0.00 0.00 40.66 40.91 3h12 h LEU 341 CO 0.00 1.29 -0.49 0.00 -0.34 0.00 0.00 178.44 178.90 3h12 s ALA 342 N -2.66 0.21 -1.34 1.25 0.00 -1.26 -0.26 121.76 117.69 3h12 s ALA 342 Ca -0.03 -0.98 0.21 0.00 0.00 0.00 0.00 51.96 51.16 3h12 s ALA 342 Cb 0.08 0.58 1.05 0.00 0.00 0.00 0.00 23.12 24.82 3h12 s ALA 342 CO 0.87 -0.50 1.69 -1.13 0.00 0.00 0.00 175.76 176.69 3h12 n SER 343 N -0.06 0.00 -4.63 0.00 3.41 -1.23 -4.73 113.62 106.38 3h12 n SER 343 Ca -0.11 0.09 -0.40 0.00 -0.26 0.00 0.00 58.87 58.18 3h12 n SER 343 Cb 0.62 -0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 3h12 n SER 343 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3h12 s TYR 344 N -2.66 3.31 0.35 7.33 5.04 -1.26 -5.05 117.35 124.41 3h12 s TYR 344 Ca 0.18 0.71 0.09 0.00 -2.44 0.00 0.00 57.07 55.62 3h12 s TYR 344 Cb 0.14 -2.72 -0.07 0.00 0.35 0.00 0.00 41.96 39.67 3h12 s TYR 344 CO 0.34 -0.22 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.73 3h12 s ASP 345 N 1.39 3.69 0.01 4.32 1.01 -1.26 -4.93 116.67 120.90 3h12 s ASP 345 Ca 0.23 -1.22 -0.33 0.00 0.71 0.00 0.00 52.55 51.94 3h12 s ASP 345 Cb -0.16 -0.34 -0.12 0.00 1.01 0.00 0.00 42.92 43.31 3h12 s ASP 345 CO 0.09 -0.24 1.81 -0.11 0.21 0.00 0.00 175.17 176.93 3h12 n LEU 346 N -0.80 3.48 -3.47 1.23 7.94 -1.26 -4.98 117.00 119.13 3h12 n LEU 346 Ca -0.05 1.00 -0.19 0.00 -1.11 0.00 0.00 56.01 55.66 3h12 n LEU 346 Cb 0.64 -1.42 -0.12 0.00 0.53 0.00 0.00 43.42 43.05 3h12 n LEU 346 CO 0.44 -0.07 -0.20 -0.75 -1.11 0.00 0.00 177.39 175.70 3h12 s LYS 347 N 3.19 0.22 -0.13 1.96 2.20 -1.26 -5.14 119.74 120.77 3h12 s LYS 347 Ca 0.88 0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 56.46 3h12 s LYS 347 Cb -0.65 -1.09 -0.05 0.00 -1.51 0.00 0.00 37.83 34.54 3h12 s LYS 347 CO 0.46 -0.75 0.25 -0.51 -0.36 0.00 0.00 175.35 174.44 3h12 s LEU 348 N 2.32 4.30 -0.09 5.43 1.43 -1.26 -4.42 118.68 126.40 3h12 s LEU 348 Ca 0.08 0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3h12 s LEU 348 Cb -0.15 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.79 3h12 s LEU 348 CO -0.18 0.21 -0.05 -1.61 0.23 0.00 0.00 176.35 174.95 3h12 s GLU 349 N -0.09 1.13 -1.63 1.70 2.02 -0.26 -4.80 118.70 116.77 3h12 s GLU 349 Ca 0.16 -0.11 -0.17 0.00 0.02 0.00 0.00 54.97 54.87 3h12 s GLU 349 Cb -0.13 -1.27 0.13 0.00 0.10 0.00 0.00 34.13 32.95 3h12 s GLU 349 CO 0.04 -0.25 0.88 0.09 0.02 0.00 0.00 175.26 176.05 3h12 n ASN 350 N 4.87 -4.04 0.00 -0.19 4.13 -1.26 -0.90 115.26 117.87 3h12 n ASN 350 Ca -0.12 -0.91 0.00 0.00 1.68 0.00 0.00 54.58 55.23 3h12 n ASN 350 Cb 0.50 -3.27 0.00 0.00 -1.54 0.00 0.00 39.78 35.47 3h12 n ASN 350 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h12 n GLY 351 N -1.53 0.89 3.62 7.41 0.00 -1.23 -5.00 105.19 109.34 3h12 n GLY 351 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3h12 n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h12 s LEU 352 N 0.00 3.19 0.24 0.99 1.43 -0.08 -2.50 118.68 121.95 3h12 s LEU 352 Ca 0.00 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 3h12 s LEU 352 Cb 0.00 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3h12 s LEU 352 CO 0.00 0.18 0.15 0.68 0.23 0.00 0.00 176.35 177.59 3h12 s VAL 353 N -1.25 4.29 0.04 -1.59 -7.23 0.28 -1.10 120.40 113.84 3h12 s VAL 353 Ca 0.23 -1.43 0.06 0.00 -1.81 0.00 0.00 61.98 59.03 3h12 s VAL 353 Cb -0.11 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.50 3h12 s VAL 353 CO 0.15 -0.31 -0.14 -1.10 -0.31 0.00 0.00 175.10 173.39 3h12 s GLN 354 N -3.69 2.21 0.57 4.82 -1.52 -1.26 -0.58 119.66 120.21 3h12 s GLN 354 Ca 0.32 -0.91 -0.20 0.00 -1.95 0.00 0.00 55.36 52.62 3h12 s GLN 354 Cb -0.08 -2.29 -0.04 0.00 -0.22 0.00 0.00 33.01 30.38 3h12 s GLN 354 CO 0.24 0.55 1.22 -1.25 -0.25 0.00 0.00 175.29 175.81 3h12 s PRO 355 N -1.51 3.09 0.55 2.91 0.04 -1.26 -4.96 135.00 133.86 3h12 s PRO 355 Ca 0.16 1.88 -0.20 0.00 0.04 0.00 0.00 61.00 62.88 3h12 s PRO 355 Cb -0.11 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 3h12 s PRO 355 CO 0.07 -1.13 0.84 -2.30 0.04 0.00 0.00 177.00 174.52 3h12 n PRO 356 N -1.38 0.88 0.00 0.56 -0.02 -1.26 -4.96 135.00 128.82 3h12 n PRO 356 Ca 0.12 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 61.99 3h12 n PRO 356 Cb 0.49 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 3h12 n PRO 356 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h12 n GLN 357 N -0.46 2.29 -1.23 -0.52 10.64 -1.26 -4.79 117.38 122.06 3h12 n GLN 357 Ca 0.12 -0.51 -0.30 0.00 -1.83 0.00 0.00 57.00 54.49 3h12 n GLN 357 Cb 0.45 -1.11 0.24 0.00 -0.86 0.00 0.00 30.24 28.96 3h12 n GLN 357 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h12 n GLY 358 N 1.04 -2.50 3.75 2.61 0.00 -1.05 -4.52 105.19 104.51 3h12 n GLY 358 Ca 0.04 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 3h12 n GLY 358 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h12 s PRO 359 N -5.58 2.82 7.02 1.61 0.02 -1.26 -3.19 135.00 136.45 3h12 s PRO 359 Ca 0.72 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3h12 s PRO 359 Cb -0.06 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3h12 s PRO 359 CO 0.54 -1.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 3h12 n GLY 360 N 0.43 2.44 0.27 0.52 0.00 0.40 -1.31 105.19 107.94 3h12 n GLY 360 Ca 0.13 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.95 3h12 n GLY 360 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h12 h LEU 361 N 0.00 0.00 0.00 0.99 3.38 -1.84 -1.50 115.31 116.34 3h12 h LEU 361 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h12 h LEU 361 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h12 h LEU 361 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3h12 n GLY 362 N -0.88 1.18 3.52 0.83 0.00 -0.43 -4.60 105.19 104.81 3h12 n GLY 362 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3h12 n GLY 362 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h12 s PHE 363 N -2.00 0.80 0.13 1.61 -0.12 -1.26 -2.54 117.98 114.60 3h12 s PHE 363 Ca 0.00 -1.10 0.06 0.00 -0.05 0.00 0.00 56.93 55.84 3h12 s PHE 363 Cb 0.00 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 3h12 s PHE 363 CO 0.00 -1.09 0.01 -1.21 -0.05 0.00 0.00 175.22 172.87 3h12 s GLU 364 N -3.35 2.51 0.23 1.99 2.02 -1.26 -5.02 118.70 115.83 3h12 s GLU 364 Ca 0.28 -0.94 -0.22 0.00 0.02 0.00 0.00 54.97 54.10 3h12 s GLU 364 Cb -0.00 -2.48 -0.09 0.00 0.10 0.00 0.00 34.13 31.67 3h12 s GLU 364 CO 0.16 0.50 0.78 0.42 0.02 0.00 0.00 175.26 177.15 3h12 s ILE 365 N -1.49 4.45 -0.81 -1.63 -1.09 -1.26 -3.56 121.20 115.81 3h12 s ILE 365 Ca 0.27 1.49 -0.23 0.00 -2.23 0.00 0.00 60.65 59.94 3h12 s ILE 365 Cb -0.11 -3.95 0.06 0.00 -1.58 0.00 0.00 42.46 36.89 3h12 s ILE 365 CO 0.19 0.26 1.19 -0.62 -1.23 0.00 0.00 174.94 174.73 3h12 s ASP 366 N -1.53 6.31 0.54 3.58 -1.08 0.64 -4.88 116.67 120.25 3h12 s ASP 366 Ca 0.43 -1.10 0.33 0.00 -0.52 0.00 0.00 52.55 51.69 3h12 s ASP 366 Cb -0.18 -2.49 1.34 0.00 -1.46 0.00 0.00 42.92 40.13 3h12 s ASP 366 CO 0.23 -1.52 1.98 -0.50 0.52 0.00 0.00 175.17 175.88 3h12 h TRP 367 N 9.64 0.00 -0.06 -5.34 4.06 -1.95 -2.20 115.95 120.10 3h12 h TRP 367 Ca -0.11 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.65 3h12 h TRP 367 Cb 1.04 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.20 3h12 h TRP 367 CO 1.12 0.03 -0.77 -0.44 -3.56 0.00 0.00 178.44 174.81 3h12 h ASP 368 N 0.00 0.46 -0.57 -3.49 3.32 -1.98 -0.78 116.42 113.38 3h12 h ASP 368 Ca -0.00 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 3h12 h ASP 368 Cb 0.52 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3h12 h ASP 368 CO 0.00 1.07 0.13 0.15 -1.72 0.00 0.00 179.24 178.87 3h12 h PHE 369 N 0.25 0.96 -0.33 4.55 3.57 -1.76 -1.63 116.94 122.55 3h12 h PHE 369 Ca -0.04 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.38 3h12 h PHE 369 Cb 1.36 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 3h12 h PHE 369 CO 0.04 0.83 0.12 0.28 -2.23 0.00 0.00 178.31 177.35 3h12 h VAL 370 N 0.82 0.91 0.00 1.41 2.07 -1.30 -2.47 116.25 117.69 3h12 h VAL 370 Ca 0.18 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 3h12 h VAL 370 Cb 0.36 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3h12 h VAL 370 CO 0.00 0.05 -0.37 0.00 0.02 0.00 0.00 177.57 177.27 3h12 h ALA 371 N 1.21 1.21 -0.00 1.67 0.00 -0.82 -2.53 119.26 120.00 3h12 h ALA 371 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3h12 h ALA 371 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h12 h ALA 371 CO -0.15 0.47 -0.15 0.00 0.00 0.00 0.00 179.25 179.42 3h12 n ALA 372 N -2.39 2.82 -1.91 0.00 0.00 -0.64 -4.12 120.51 114.26 3h12 n ALA 372 Ca -0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 3h12 n ALA 372 Cb 0.44 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.67 3h12 n ALA 372 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h12 n HIS 373 N -1.03 1.58 -1.69 0.00 -0.00 -0.95 -5.05 115.22 108.07 3h12 n HIS 373 Ca 0.13 -1.90 -0.44 0.00 -0.00 0.00 0.00 57.72 55.51 3h12 n HIS 373 Cb 0.29 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 3h12 n HIS 373 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h12 n ALA 374 N -0.82 1.98 -1.65 -1.41 0.00 -1.25 -1.43 120.51 115.94 3h12 n ALA 374 Ca 0.32 0.41 -0.46 0.00 0.00 0.00 0.00 53.44 53.71 3h12 n ALA 374 Cb 0.86 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 3h12 n ALA 374 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3h12 n TRP 375 N 3.99 1.95 -1.40 0.00 -0.00 -0.15 -4.59 117.44 117.25 3h12 n TRP 375 Ca 0.17 0.49 0.08 0.00 -0.00 0.00 0.00 57.50 58.24 3h12 n TRP 375 Cb 0.32 -2.41 0.15 0.00 -0.00 0.00 0.00 31.31 29.37 3h12 n TRP 375 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 3h12 n LYS 376 N 1.94 1.26 0.00 5.87 5.02 -1.26 -4.96 118.16 126.03 3h12 n LYS 376 Ca 0.12 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.68 3h12 n LYS 376 Cb 0.30 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3h12 n LYS 376 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h12 n GLY 377 N -1.14 0.69 3.73 0.72 0.00 -1.26 -5.06 105.19 102.87 3h12 n GLY 377 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3h12 n GLY 377 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h12 n GLU 378 N -1.94 1.69 -2.43 1.61 4.71 -1.26 -5.01 120.64 118.01 3h12 n GLU 378 Ca 0.00 0.62 -0.38 0.00 -0.01 0.00 0.00 57.16 57.39 3h12 n GLU 378 Cb 0.00 -2.54 -0.03 0.00 -1.01 0.00 0.00 31.44 27.85 3h12 n GLU 378 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3h12 s PRO 379 N -2.81 4.16 -0.01 3.49 0.04 -1.26 -5.00 135.00 133.61 3h12 s PRO 379 Ca 0.71 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 63.36 3h12 s PRO 379 Cb -0.42 -2.66 -0.29 0.00 0.04 0.00 0.00 34.50 31.17 3h12 s PRO 379 CO 0.50 -0.18 0.81 0.00 0.04 0.00 0.00 177.00 178.17 3h12 h ALA 380 N 2.68 0.21 -2.24 8.56 0.00 -1.95 -3.26 119.26 123.27 3h12 h ALA 380 Ca -0.48 -1.10 -0.06 0.00 0.00 0.00 0.00 54.91 53.26 3h12 h ALA 380 Cb 1.22 0.32 -0.22 0.00 0.00 0.00 0.00 17.79 19.11 3h12 h ALA 380 CO 0.63 1.08 0.00 -1.50 0.00 0.00 0.00 179.25 179.46 3h12 s ILE 381 N -2.61 -0.00 1.14 0.00 2.07 -1.26 -0.78 121.20 119.76 3h12 s ILE 381 Ca -0.11 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 58.95 3h12 s ILE 381 Cb 0.06 -0.86 0.26 0.00 0.13 0.00 0.00 42.46 42.05 3h12 s ILE 381 CO 0.86 0.00 1.15 -0.83 -1.91 0.00 0.00 174.94 174.21 3h12 s GLY 382 N 0.45 1.62 0.36 1.50 0.00 0.14 -4.93 107.32 106.46 3h12 s GLY 382 Ca -0.01 -0.97 -0.28 0.00 0.00 0.00 0.00 44.72 43.46 3h12 s GLY 382 CO -0.01 -0.12 1.45 0.00 0.00 0.00 0.00 173.10 174.42 3h12 s ALA 383 N -3.19 3.57 0.83 3.20 0.00 -1.26 -4.30 121.76 120.62 3h12 s ALA 383 Ca 0.71 1.50 -0.11 0.00 0.00 0.00 0.00 51.96 54.06 3h12 s ALA 383 Cb -0.09 -3.58 0.13 0.00 0.00 0.00 0.00 23.12 19.58 3h12 s ALA 383 CO 0.55 -0.95 1.18 0.20 0.00 0.00 0.00 175.76 176.74 3h12 s GLY 384 N -0.15 1.71 0.50 0.00 0.00 -1.25 -4.37 107.32 103.76 3h12 s GLY 384 Ca 0.53 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 44.25 3h12 s GLY 384 CO 0.59 -0.48 0.49 0.30 0.00 0.00 0.00 173.10 174.00 3h12 s HIS 385 N -3.57 2.01 0.00 1.90 3.76 0.55 -4.80 115.29 115.14 3h12 s HIS 385 Ca 0.67 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 3h12 s HIS 385 Cb -0.07 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.52 3h12 s HIS 385 CO 0.49 -0.50 0.00 0.41 -0.85 0.00 0.00 174.74 174.29 3h12 n GLY 386 N -1.80 1.26 0.32 -2.22 0.00 -1.26 -4.89 105.19 96.60 3h12 n GLY 386 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 3h12 n GLY 386 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3h12 h MET 387 N 0.00 0.63 0.15 1.61 2.86 -1.95 -1.17 114.93 117.06 3h12 h MET 387 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3h12 h MET 387 Cb 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3h12 h MET 387 CO 0.00 0.42 -0.07 -0.22 1.06 0.00 0.00 176.91 178.10 3h12 h LYS 388 N 0.65 -0.19 0.00 1.72 3.64 -1.94 -0.28 116.57 120.17 3h12 h LYS 388 Ca 0.19 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3h12 h LYS 388 Cb -0.04 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3h12 h LYS 388 CO -0.04 -0.10 -0.47 1.57 -2.27 0.00 0.00 179.45 178.14 3h12 h LYS 389 N -0.23 0.00 -0.81 1.90 5.09 -1.77 -1.89 116.57 118.87 3h12 h LYS 389 Ca -0.02 0.00 0.11 0.00 0.09 0.00 0.00 60.65 60.83 3h12 h LYS 389 Cb 0.18 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.45 3h12 h LYS 389 CO 0.03 0.47 0.53 1.49 -2.09 0.00 0.00 179.45 179.88 3h12 h GLU 390 N 0.00 0.68 0.00 0.07 4.57 -1.06 -3.46 114.58 115.38 3h12 h GLU 390 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3h12 h GLU 390 Cb 1.01 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3h12 h GLU 390 CO 0.06 0.45 0.00 0.41 -1.18 0.00 0.00 179.01 178.75 3h12 n GLY 391 N -1.45 -0.98 3.64 1.92 0.00 -0.71 -5.08 105.19 102.53 3h12 n GLY 391 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3h12 n GLY 391 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h12 s HIS 392 N 0.00 3.16 -2.00 1.61 2.46 -0.17 -5.00 115.29 115.35 3h12 s HIS 392 Ca 0.00 1.23 0.06 0.00 0.47 0.00 0.00 55.06 56.82 3h12 s HIS 392 Cb 0.00 -3.61 0.33 0.00 -0.13 0.00 0.00 32.58 29.17 3h12 s HIS 392 CO 0.00 -0.77 0.80 1.58 -2.47 0.00 0.00 174.74 173.88