#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4a s LYS 3 N 0.00 0.51 -0.02 -2.82 2.20 -1.26 -1.00 119.74 117.35 1j4a s LYS 3 Ca 0.00 -0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.48 1j4a s LYS 3 Cb 0.00 -0.50 -0.01 0.00 -1.51 0.00 0.00 37.83 35.81 1j4a s LYS 3 CO 0.00 0.09 -0.19 0.42 -0.36 0.00 0.00 175.35 175.32 1j4a s ILE 4 N 0.03 1.47 -0.07 5.43 1.01 -0.45 0.25 121.20 128.87 1j4a s ILE 4 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.91 1j4a s ILE 4 Cb -0.04 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 1j4a s ILE 4 CO -0.00 0.42 -0.24 0.12 0.00 0.00 0.00 174.94 175.24 1j4a s PHE 5 N -0.39 2.40 0.04 3.97 5.36 -0.79 -2.37 117.98 126.21 1j4a s PHE 5 Ca 0.06 -0.82 0.06 0.00 -0.96 0.00 0.00 56.93 55.26 1j4a s PHE 5 Cb -0.08 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 40.98 1j4a s PHE 5 CO -0.00 -0.29 -0.11 0.00 -1.46 0.00 0.00 175.22 173.35 1j4a s ALA 6 N 0.06 2.86 0.19 11.12 0.00 -0.43 -1.42 121.76 134.14 1j4a s ALA 6 Ca -0.10 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.80 1j4a s ALA 6 Cb -0.15 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1j4a s ALA 6 CO 0.06 0.61 -0.01 0.71 0.00 0.00 0.00 175.76 177.12 1j4a s TYR 7 N -1.03 2.80 -1.48 0.00 2.02 0.61 -1.23 117.35 119.05 1j4a s TYR 7 Ca 0.17 -0.16 -0.02 0.00 -0.37 0.00 0.00 57.07 56.69 1j4a s TYR 7 Cb -0.11 -1.33 0.01 0.00 -0.40 0.00 0.00 41.96 40.13 1j4a s TYR 7 CO 0.08 0.54 0.16 0.00 -1.57 0.00 0.00 175.55 174.76 1j4a n ALA 8 N -0.27 -0.78 -2.01 3.71 0.00 0.09 -4.33 120.51 116.92 1j4a n ALA 8 Ca -0.09 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1j4a n ALA 8 Cb 0.56 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 1j4a n ALA 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j4a s ILE 9 N -2.93 3.19 0.40 0.00 -1.09 -0.85 -4.93 121.20 115.00 1j4a s ILE 9 Ca 0.10 0.66 0.02 0.00 -2.23 0.00 0.00 60.65 59.19 1j4a s ILE 9 Cb -0.05 -3.42 -0.01 0.00 -1.58 0.00 0.00 42.46 37.40 1j4a s ILE 9 CO 0.12 0.00 0.59 -0.13 -1.23 0.00 0.00 174.94 174.29 1j4a s ARG 10 N 2.43 3.15 0.21 2.79 0.52 -1.26 -4.40 118.95 122.39 1j4a s ARG 10 Ca 0.71 -0.61 -0.09 0.00 -0.52 0.00 0.00 55.73 55.22 1j4a s ARG 10 Cb -0.38 -2.65 0.26 0.00 0.52 0.00 0.00 34.95 32.70 1j4a s ARG 10 CO 0.31 -0.10 1.78 0.93 0.02 0.00 0.00 175.30 178.23 1j4a h GLU 11 N 0.60 0.54 0.00 3.54 4.39 -2.02 -1.43 114.58 120.20 1j4a h GLU 11 Ca -0.47 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1j4a h GLU 11 Cb 1.25 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1j4a h GLU 11 CO 0.57 0.36 0.00 0.38 -1.16 0.00 0.00 179.01 179.16 1j4a h ASP 12 N 0.56 0.00 1.18 1.42 2.03 -2.02 -1.12 116.42 118.47 1j4a h ASP 12 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1j4a h ASP 12 Cb 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1j4a h ASP 12 CO -0.23 0.00 -0.77 -0.33 -1.03 0.00 0.00 179.24 176.88 1j4a h GLU 13 N 0.00 0.00 -0.77 4.15 5.08 -1.66 -3.40 114.58 117.99 1j4a h GLU 13 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1j4a h GLU 13 Cb 0.24 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 1j4a h GLU 13 CO 0.00 0.00 0.35 0.87 -1.00 0.00 0.00 179.01 179.23 1j4a h LYS 14 N 0.00 0.51 -0.15 2.33 1.57 -1.02 -1.88 116.57 117.93 1j4a h LYS 14 Ca 0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1j4a h LYS 14 Cb 0.98 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1j4a h LYS 14 CO 0.00 0.34 -0.10 -1.35 -0.57 0.00 0.00 179.45 177.76 1j4a h PRO 15 N 0.53 0.23 0.00 3.15 0.11 -1.77 -1.54 132.00 132.71 1j4a h PRO 15 Ca 0.41 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.29 1j4a h PRO 15 Cb 0.57 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 1j4a h PRO 15 CO -0.36 0.35 -1.05 0.74 -0.21 0.00 0.00 178.00 177.47 1j4a h PHE 16 N 0.22 0.00 0.04 0.65 -1.00 -1.64 -1.71 116.94 113.50 1j4a h PHE 16 Ca 0.05 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 1j4a h PHE 16 Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 1j4a h PHE 16 CO 0.00 0.74 -0.02 1.25 -1.61 0.00 0.00 178.31 178.67 1j4a h LEU 17 N 0.00 -0.05 -0.65 1.54 5.85 -0.81 -1.15 115.31 120.04 1j4a h LEU 17 Ca -0.09 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.56 1j4a h LEU 17 Cb 1.64 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.60 1j4a h LEU 17 CO 0.08 0.16 0.25 0.50 -0.34 0.00 0.00 178.44 179.08 1j4a h LYS 18 N -0.25 0.41 -0.95 1.25 3.64 -1.31 0.25 116.57 119.60 1j4a h LYS 18 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1j4a h LYS 18 Cb 0.23 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 1j4a h LYS 18 CO 0.01 0.27 0.61 1.49 -2.27 0.00 0.00 179.45 179.56 1j4a h GLU 19 N 0.42 1.27 -0.32 1.90 4.81 -1.14 -0.32 114.58 121.20 1j4a h GLU 19 Ca 0.34 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1j4a h GLU 19 Cb 0.45 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1j4a h GLU 19 CO -0.34 0.86 0.00 2.35 -0.73 0.00 0.00 179.01 181.15 1j4a h TRP 20 N 1.30 0.61 -0.01 0.92 7.01 0.55 -2.95 115.95 123.39 1j4a h TRP 20 Ca 0.35 -0.11 0.03 0.00 2.11 0.00 0.00 58.89 61.27 1j4a h TRP 20 Cb -0.12 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 26.73 1j4a h TRP 20 CO 0.00 0.68 -0.30 0.93 -2.79 0.00 0.00 178.44 176.97 1j4a h GLU 21 N 0.37 -0.43 -0.20 2.65 5.08 -0.11 -2.28 114.58 119.65 1j4a h GLU 21 Ca 0.09 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1j4a h GLU 21 Cb 0.44 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1j4a h GLU 21 CO 0.02 -0.29 0.27 -0.44 -1.00 0.00 0.00 179.01 177.57 1j4a h ASP 22 N -0.45 0.00 -0.14 1.42 3.32 -0.98 1.21 116.42 120.80 1j4a h ASP 22 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1j4a h ASP 22 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1j4a h ASP 22 CO -0.26 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.26 1j4a n ALA 23 N -2.25 2.51 -3.05 3.45 0.00 -0.89 -4.47 120.51 115.81 1j4a n ALA 23 Ca 0.02 -0.60 -0.17 0.00 0.00 0.00 0.00 53.44 52.69 1j4a n ALA 23 Cb 0.40 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 1j4a n ALA 23 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j4a n HIS 24 N 0.62 -0.95 0.22 0.00 8.25 0.42 -4.97 115.22 118.80 1j4a n HIS 24 Ca 0.17 -3.19 0.07 0.00 -0.26 0.00 0.00 57.72 54.51 1j4a n HIS 24 Cb 0.42 0.23 0.52 0.00 1.12 0.00 0.00 29.99 32.28 1j4a n HIS 24 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1j4a h LYS 25 N 3.36 0.00 -0.16 -0.41 6.56 -1.73 -2.02 116.57 122.16 1j4a h LYS 25 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1j4a h LYS 25 Cb 0.98 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.64 1j4a h LYS 25 CO 0.40 0.24 0.00 -0.40 -2.06 0.00 0.00 179.45 177.63 1j4a n ASP 26 N -3.88 0.52 -4.11 0.86 3.85 -1.26 -4.70 116.55 107.84 1j4a n ASP 26 Ca -0.02 -2.01 -0.29 0.00 -0.71 0.00 0.00 54.79 51.76 1j4a n ASP 26 Cb 0.33 -0.10 -0.17 0.00 -1.35 0.00 0.00 41.12 39.83 1j4a n ASP 26 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1j4a s VAL 27 N -1.83 1.63 -0.02 2.12 1.01 -0.76 -4.54 120.40 118.01 1j4a s VAL 27 Ca 0.05 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 1j4a s VAL 27 Cb 0.03 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1j4a s VAL 27 CO 0.03 0.46 0.54 -0.70 0.00 0.00 0.00 175.10 175.44 1j4a s GLU 28 N 0.71 4.26 -0.08 2.72 2.12 -0.17 -4.96 118.70 123.30 1j4a s GLU 28 Ca -0.12 0.63 0.03 0.00 0.36 0.00 0.00 54.97 55.87 1j4a s GLU 28 Cb -0.16 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1j4a s GLU 28 CO 0.03 0.39 -0.19 0.08 -0.54 0.00 0.00 175.26 175.03 1j4a s VAL 29 N -0.20 1.63 0.10 3.70 1.01 -1.26 -1.34 120.40 124.05 1j4a s VAL 29 Ca 0.29 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1j4a s VAL 29 Cb -0.17 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1j4a s VAL 29 CO 0.15 0.47 -0.11 -0.70 0.00 0.00 0.00 175.10 174.91 1j4a s GLU 30 N 0.48 0.88 0.26 2.72 2.12 -1.00 -5.02 118.70 119.14 1j4a s GLU 30 Ca -0.17 -1.19 -0.21 0.00 0.36 0.00 0.00 54.97 53.77 1j4a s GLU 30 Cb -0.17 -0.59 0.03 0.00 0.26 0.00 0.00 34.13 33.66 1j4a s GLU 30 CO 0.06 0.09 0.68 1.52 -0.54 0.00 0.00 175.26 177.08 1j4a s TYR 31 N -2.45 -0.22 0.14 5.30 1.13 -1.26 -1.31 117.35 118.68 1j4a s TYR 31 Ca 0.07 -0.19 0.01 0.00 -1.41 0.00 0.00 57.07 55.54 1j4a s TYR 31 Cb -0.03 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 1j4a s TYR 31 CO 0.00 -1.15 0.01 -0.08 -2.51 0.00 0.00 175.55 171.82 1j4a s THR 32 N -3.89 0.45 -2.51 -3.49 -1.32 -0.36 -4.92 115.64 99.59 1j4a s THR 32 Ca 0.10 -1.94 0.24 0.00 -1.21 0.00 0.00 61.69 58.88 1j4a s THR 32 Cb -0.05 -2.00 0.42 0.00 -1.51 0.00 0.00 72.50 69.37 1j4a s THR 32 CO 0.03 -0.56 1.51 -0.90 -2.21 0.00 0.00 174.62 172.50 1j4a n ASP 33 N -0.14 2.26 -4.87 8.08 3.85 -1.26 -2.01 116.55 122.46 1j4a n ASP 33 Ca -0.07 -1.77 -0.31 0.00 -0.71 0.00 0.00 54.79 51.93 1j4a n ASP 33 Cb 0.63 -0.09 -0.02 0.00 -1.35 0.00 0.00 41.12 40.28 1j4a n ASP 33 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1j4a s LYS 34 N -1.81 3.77 0.68 0.11 1.02 -1.26 -4.20 119.74 118.05 1j4a s LYS 34 Ca 0.34 0.62 -0.11 0.00 0.02 0.00 0.00 55.97 56.85 1j4a s LYS 34 Cb 0.20 -2.27 -0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1j4a s LYS 34 CO 0.30 -0.21 1.05 -0.51 -0.92 0.00 0.00 175.35 175.07 1j4a s LEU 35 N -4.22 3.14 -0.21 3.17 1.43 -1.26 -0.73 118.68 120.00 1j4a s LEU 35 Ca 0.54 1.55 -0.26 0.00 -1.03 0.00 0.00 54.13 54.93 1j4a s LEU 35 Cb -0.10 -4.47 -0.00 0.00 0.03 0.00 0.00 46.19 41.65 1j4a s LEU 35 CO 0.36 -1.31 0.90 -0.22 0.23 0.00 0.00 176.35 176.32 1j4a s LEU 36 N -5.45 4.12 0.35 1.79 2.96 -1.26 -4.80 118.68 116.39 1j4a s LEU 36 Ca 0.57 1.21 0.04 0.00 -0.22 0.00 0.00 54.13 55.73 1j4a s LEU 36 Cb -0.13 -3.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 1j4a s LEU 36 CO 0.55 -0.53 0.17 0.42 -1.32 0.00 0.00 176.35 175.64 1j4a s THR 37 N 2.70 0.37 0.37 3.68 -4.23 -1.26 -4.94 115.64 112.33 1j4a s THR 37 Ca 0.39 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1j4a s THR 37 Cb -0.16 -2.46 0.27 0.00 1.34 0.00 0.00 72.50 71.50 1j4a s THR 37 CO 0.09 0.00 2.01 -0.65 -0.54 0.00 0.00 174.62 175.53 1j4a h PRO 38 N 2.05 0.74 0.02 3.99 0.11 -1.85 -1.00 132.00 136.06 1j4a h PRO 38 Ca -0.33 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.51 1j4a h PRO 38 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1j4a h PRO 38 CO 0.51 0.49 -0.97 0.93 -0.21 0.00 0.00 178.00 178.75 1j4a h GLU 39 N 0.76 0.35 -0.01 1.05 3.07 -1.96 -3.26 114.58 114.58 1j4a h GLU 39 Ca 0.23 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1j4a h GLU 39 Cb 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1j4a h GLU 39 CO -0.06 1.09 -0.17 0.25 -1.40 0.00 0.00 179.01 178.72 1j4a n THR 40 N -3.70 0.00 0.10 1.13 -2.24 -1.03 -3.92 114.28 104.61 1j4a n THR 40 Ca -0.06 -0.23 0.06 0.00 -2.27 0.00 0.00 64.05 61.55 1j4a n THR 40 Cb 0.85 0.67 0.51 0.00 -2.10 0.00 0.00 70.33 70.26 1j4a n THR 40 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1j4a h VAL 41 N 2.15 1.06 -0.63 2.28 3.04 -1.23 -1.97 116.25 120.94 1j4a h VAL 41 Ca 0.00 -0.12 0.04 0.00 -1.01 0.00 0.00 66.70 65.61 1j4a h VAL 41 Cb 0.59 0.69 -0.04 0.00 -2.01 0.00 0.00 31.29 30.52 1j4a h VAL 41 CO 0.00 0.06 0.42 0.00 -1.01 0.00 0.00 177.57 177.04 1j4a h ALA 42 N 1.84 1.69 -0.90 3.17 0.00 -1.77 -1.84 119.26 121.45 1j4a h ALA 42 Ca 0.10 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.20 1j4a h ALA 42 Cb -0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1j4a h ALA 42 CO -0.02 0.23 0.61 -0.07 0.00 0.00 0.00 179.25 180.00 1j4a h LEU 43 N 0.72 0.29 -0.19 0.00 3.38 -1.62 0.39 115.31 118.27 1j4a h LEU 43 Ca 0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1j4a h LEU 43 Cb 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1j4a h LEU 43 CO -0.07 0.11 -0.03 0.00 0.09 0.00 0.00 178.44 178.54 1j4a n ALA 44 N -2.57 2.66 -1.69 1.53 0.00 -0.69 -4.88 120.51 114.87 1j4a n ALA 44 Ca 0.19 -0.24 -0.44 0.00 0.00 0.00 0.00 53.44 52.96 1j4a n ALA 44 Cb 0.78 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1j4a n ALA 44 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1j4a n LYS 45 N -0.87 2.64 0.00 0.00 2.85 0.14 -1.48 118.16 121.43 1j4a n LYS 45 Ca 0.19 0.96 0.00 0.00 -1.05 0.00 0.00 58.31 58.41 1j4a n LYS 45 Cb 0.21 -2.83 0.00 0.00 -0.65 0.00 0.00 35.03 31.76 1j4a n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1j4a n GLY 46 N 4.14 1.32 3.81 2.58 0.00 -1.26 -5.08 105.19 110.70 1j4a n GLY 46 Ca 0.18 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1j4a n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4a s ALA 47 N -1.19 1.93 -0.33 4.61 0.00 -0.55 -4.82 121.76 121.41 1j4a s ALA 47 Ca 0.00 -0.57 0.18 0.00 0.00 0.00 0.00 51.96 51.58 1j4a s ALA 47 Cb 0.00 -3.01 -0.26 0.00 0.00 0.00 0.00 23.12 19.85 1j4a s ALA 47 CO 0.00 -2.20 0.54 -0.25 0.00 0.00 0.00 175.76 173.85 1j4a n ASP 48 N -3.70 0.78 -3.65 0.00 8.00 0.14 -4.79 116.55 113.32 1j4a n ASP 48 Ca 0.07 -0.34 -0.08 0.00 0.71 0.00 0.00 54.79 55.15 1j4a n ASP 48 Cb 0.60 1.54 -0.02 0.00 -0.02 0.00 0.00 41.12 43.22 1j4a n ASP 48 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1j4a s GLY 49 N -3.62 -0.34 0.07 0.44 0.00 -1.19 -4.64 107.32 98.04 1j4a s GLY 49 Ca -0.02 0.21 0.06 0.00 0.00 0.00 0.00 44.72 44.97 1j4a s GLY 49 CO 0.76 0.07 -0.16 -1.34 0.00 0.00 0.00 173.10 172.43 1j4a s VAL 50 N -3.63 1.25 -0.13 1.40 -7.23 -0.71 -1.88 120.40 109.46 1j4a s VAL 50 Ca 0.07 -1.31 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1j4a s VAL 50 Cb -0.03 -1.17 0.01 0.00 0.56 0.00 0.00 36.38 35.75 1j4a s VAL 50 CO -0.02 -0.15 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.73 1j4a s VAL 51 N -1.18 1.89 0.13 1.32 1.01 -0.50 -1.47 120.40 121.60 1j4a s VAL 51 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1j4a s VAL 51 Cb -0.10 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1j4a s VAL 51 CO 0.03 0.52 0.03 0.68 0.00 0.00 0.00 175.10 176.36 1j4a s VAL 52 N 0.91 0.23 -0.30 2.92 -7.23 -0.34 -0.28 120.40 116.31 1j4a s VAL 52 Ca -0.06 -1.91 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 1j4a s VAL 52 Cb -0.15 -1.98 0.19 0.00 0.56 0.00 0.00 36.38 34.99 1j4a s VAL 52 CO -0.03 -0.54 0.85 -0.47 -0.31 0.00 0.00 175.10 174.60 1j4a s TYR 53 N -3.95 -1.03 -0.05 2.82 5.04 -1.26 -0.08 117.35 118.83 1j4a s TYR 53 Ca 0.22 0.92 -0.29 0.00 -2.44 0.00 0.00 57.07 55.48 1j4a s TYR 53 Cb 0.07 0.30 0.10 0.00 0.35 0.00 0.00 41.96 42.78 1j4a s TYR 53 CO 0.00 -0.58 0.87 1.14 -1.34 0.00 0.00 175.55 175.64 1j4a s GLN 54 N 2.91 0.82 0.05 4.97 -2.07 -1.26 -4.76 119.66 120.32 1j4a s GLN 54 Ca 0.12 -0.08 0.06 0.00 -1.82 0.00 0.00 55.36 53.64 1j4a s GLN 54 Cb -0.10 0.38 -0.23 0.00 -1.09 0.00 0.00 33.01 31.97 1j4a s GLN 54 CO -0.18 -0.31 1.01 1.96 -1.32 0.00 0.00 175.29 176.44 1j4a h GLN 55 N 2.35 0.06 -6.37 9.60 7.50 -2.01 -3.47 115.11 122.78 1j4a h GLN 55 Ca -0.23 -0.11 -0.64 0.00 0.50 0.00 0.00 58.65 58.18 1j4a h GLN 55 Cb 1.20 0.04 0.05 0.00 0.05 0.00 0.00 27.48 28.83 1j4a h GLN 55 CO 0.33 0.89 0.65 -0.11 -1.50 0.00 0.00 178.83 179.09 1j4a n LEU 56 N -3.29 2.40 -4.77 1.46 7.94 -1.26 -4.85 117.00 114.63 1j4a n LEU 56 Ca -0.09 1.10 -0.40 0.00 -1.11 0.00 0.00 56.01 55.51 1j4a n LEU 56 Cb 1.00 -1.30 0.02 0.00 0.53 0.00 0.00 43.42 43.66 1j4a n LEU 56 CO 0.47 -0.64 1.08 -1.81 -1.11 0.00 0.00 177.39 175.38 1j4a s ASP 57 N 0.93 5.86 -1.21 1.96 1.01 -1.26 -4.92 116.67 119.04 1j4a s ASP 57 Ca 0.83 2.95 -0.12 0.00 0.71 0.00 0.00 52.55 56.92 1j4a s ASP 57 Cb -0.82 -2.66 0.19 0.00 1.01 0.00 0.00 42.92 40.65 1j4a s ASP 57 CO 0.44 -1.19 1.48 -1.22 0.21 0.00 0.00 175.17 174.89 1j4a n TYR 58 N -0.19 4.45 -0.97 4.23 4.02 0.15 -4.98 117.16 123.88 1j4a n TYR 58 Ca 0.05 -3.28 -0.29 0.00 -0.01 0.00 0.00 57.90 54.36 1j4a n TYR 58 Cb 0.41 -2.02 0.22 0.00 -0.02 0.00 0.00 39.34 37.94 1j4a n TYR 58 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1j4a s ILE 59 N 0.64 1.80 0.13 -0.72 -4.36 -1.26 -1.50 121.20 115.93 1j4a s ILE 59 Ca 0.40 0.00 -0.19 0.00 -0.26 0.00 0.00 60.65 60.59 1j4a s ILE 59 Cb -0.01 -2.39 -0.03 0.00 1.25 0.00 0.00 42.46 41.29 1j4a s ILE 59 CO -0.00 0.00 1.72 0.00 0.24 0.00 0.00 174.94 176.90 1j4a h ALA 60 N -2.40 0.19 -0.75 2.27 0.00 -1.95 -0.09 119.26 116.52 1j4a h ALA 60 Ca -0.52 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1j4a h ALA 60 Cb 1.32 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1j4a h ALA 60 CO 0.46 -0.43 0.50 1.49 0.00 0.00 0.00 179.25 181.27 1j4a h GLU 61 N 0.07 0.86 -0.06 0.00 4.81 -1.99 0.36 114.58 118.63 1j4a h GLU 61 Ca 0.10 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 1j4a h GLU 61 Cb 0.13 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.33 1j4a h GLU 61 CO -0.17 0.57 -0.69 1.15 -0.73 0.00 0.00 179.01 179.13 1j4a h THR 62 N 0.88 1.35 -0.54 0.32 2.02 -1.69 -2.52 112.91 112.74 1j4a h THR 62 Ca 0.31 -2.01 -0.10 0.00 0.77 0.00 0.00 66.41 65.37 1j4a h THR 62 Cb 0.11 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1j4a h THR 62 CO -0.09 0.61 -0.07 -0.07 0.37 0.00 0.00 175.52 176.27 1j4a h LEU 63 N 0.18 0.96 -0.45 2.58 3.38 -0.64 -1.74 115.31 119.59 1j4a h LEU 63 Ca -0.07 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1j4a h LEU 63 Cb 1.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1j4a h LEU 63 CO 0.14 1.06 0.27 -0.61 0.09 0.00 0.00 178.44 179.38 1j4a h GLN 64 N 0.88 0.61 -0.71 1.13 5.75 -0.30 -1.33 115.11 121.14 1j4a h GLN 64 Ca 0.15 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.52 1j4a h GLN 64 Cb 0.61 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1j4a h GLN 64 CO 0.04 0.46 0.17 0.00 -2.65 0.00 0.00 178.83 176.85 1j4a h ALA 65 N 1.12 0.93 -0.00 3.38 0.00 -1.17 0.22 119.26 123.75 1j4a h ALA 65 Ca 0.16 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1j4a h ALA 65 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1j4a h ALA 65 CO -0.03 0.66 -0.08 -0.07 0.00 0.00 0.00 179.25 179.72 1j4a h LEU 66 N 1.07 -0.24 -1.36 0.00 3.38 -1.08 -2.01 115.31 115.06 1j4a h LEU 66 Ca 0.22 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1j4a h LEU 66 Cb 0.37 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1j4a h LEU 66 CO 0.00 -0.12 0.48 0.00 0.09 0.00 0.00 178.44 178.89 1j4a h ALA 67 N 0.84 1.69 0.00 1.53 0.00 -0.64 0.10 119.26 122.78 1j4a h ALA 67 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j4a h ALA 67 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1j4a h ALA 67 CO -0.09 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 1j4a n ASP 68 N -4.48 0.36 -0.65 0.00 10.43 0.73 -1.98 116.55 120.97 1j4a n ASP 68 Ca 0.11 0.57 0.06 0.00 2.57 0.00 0.00 54.79 58.10 1j4a n ASP 68 Cb 0.22 -0.65 0.17 0.00 1.84 0.00 0.00 41.12 42.70 1j4a n ASP 68 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1j4a n ASN 69 N -1.88 3.10 0.00 -2.24 3.02 0.17 -4.97 115.26 112.46 1j4a n ASN 69 Ca 0.04 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.29 1j4a n ASN 69 Cb 0.26 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1j4a n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4a n GLY 70 N 0.12 0.80 3.42 7.41 0.00 -0.84 -4.10 105.19 112.01 1j4a n GLY 70 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1j4a n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4a s ILE 71 N -2.15 3.85 -0.03 -0.61 -1.09 -0.14 -4.90 121.20 116.12 1j4a s ILE 71 Ca 0.00 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.12 1j4a s ILE 71 Cb 0.00 -2.75 0.07 0.00 -1.58 0.00 0.00 42.46 38.20 1j4a s ILE 71 CO 0.00 0.42 1.00 0.35 -1.23 0.00 0.00 174.94 175.48 1j4a n THR 72 N 4.43 0.49 -3.87 2.92 -2.24 -1.26 -2.94 114.28 111.81 1j4a n THR 72 Ca -0.17 -0.58 -0.30 0.00 -2.27 0.00 0.00 64.05 60.73 1j4a n THR 72 Cb 0.52 0.36 -0.16 0.00 -2.10 0.00 0.00 70.33 68.95 1j4a n THR 72 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1j4a s LYS 73 N -0.73 1.25 -0.10 -0.78 1.02 -1.26 -0.08 119.74 119.06 1j4a s LYS 73 Ca 0.08 -0.98 0.02 0.00 0.02 0.00 0.00 55.97 55.11 1j4a s LYS 73 Cb 0.07 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1j4a s LYS 73 CO 0.01 -0.71 -0.17 1.41 -0.92 0.00 0.00 175.35 174.96 1j4a s MET 74 N 1.48 2.36 -0.23 1.68 1.75 -0.39 -1.74 119.30 124.21 1j4a s MET 74 Ca -0.00 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 53.83 1j4a s MET 74 Cb -0.18 -1.93 0.05 0.00 2.84 0.00 0.00 34.83 35.61 1j4a s MET 74 CO -0.10 0.01 -0.12 -1.12 -0.65 0.00 0.00 175.02 173.04 1j4a s SER 75 N 0.76 4.02 0.41 1.11 0.01 -0.54 -1.65 113.70 117.82 1j4a s SER 75 Ca -0.11 -1.17 -0.17 0.00 1.31 0.00 0.00 55.95 55.81 1j4a s SER 75 Cb -0.16 -1.48 -0.09 0.00 0.21 0.00 0.00 66.02 64.50 1j4a s SER 75 CO 0.02 -0.15 0.88 -0.76 0.41 0.00 0.00 173.24 173.64 1j4a s LEU 76 N 1.19 3.90 0.09 2.44 1.43 0.71 -1.20 118.68 127.23 1j4a s LEU 76 Ca -0.05 1.48 0.25 0.00 -1.03 0.00 0.00 54.13 54.78 1j4a s LEU 76 Cb -0.18 -4.34 0.42 0.00 0.03 0.00 0.00 46.19 42.12 1j4a s LEU 76 CO -0.07 -0.37 1.37 0.54 0.23 0.00 0.00 176.35 178.06 1j4a n ARG 77 N -0.83 0.22 -2.81 1.70 1.74 0.88 -3.64 116.66 113.93 1j4a n ARG 77 Ca 0.05 0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 57.05 1j4a n ARG 77 Cb 0.54 -1.64 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1j4a n ARG 77 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1j4a n ASN 78 N -1.96 1.94 -0.08 0.55 6.94 -1.26 -4.52 115.26 116.87 1j4a n ASN 78 Ca 0.04 -2.14 -0.14 0.00 -0.02 0.00 0.00 54.58 52.32 1j4a n ASN 78 Cb 0.41 -0.07 -0.09 0.00 -2.36 0.00 0.00 39.78 37.67 1j4a n ASN 78 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 1j4a h VAL 79 N 0.49 0.93 -3.89 3.53 2.07 -1.92 -1.83 116.25 115.62 1j4a h VAL 79 Ca -0.21 -1.90 -0.53 0.00 0.82 0.00 0.00 66.70 64.88 1j4a h VAL 79 Cb 0.79 1.96 0.08 0.00 -1.52 0.00 0.00 31.29 32.61 1j4a h VAL 79 CO 0.32 0.31 0.71 -0.83 0.02 0.00 0.00 177.57 178.11 1j4a s GLY 80 N -4.41 2.95 -0.02 2.17 0.00 -1.26 -4.80 107.32 101.95 1j4a s GLY 80 Ca -0.20 1.42 0.02 0.00 0.00 0.00 0.00 44.72 45.96 1j4a s GLY 80 CO 0.49 2.09 0.92 3.33 0.00 0.00 0.00 173.10 179.94 1j4a n VAL 81 N 0.68 0.88 0.38 1.40 0.24 -1.26 -4.76 118.33 115.89 1j4a n VAL 81 Ca 0.01 -0.93 0.12 0.00 -2.04 0.00 0.00 64.34 61.50 1j4a n VAL 81 Cb 0.40 0.50 0.50 0.00 -1.47 0.00 0.00 33.84 33.78 1j4a n VAL 81 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1j4a n ASP 82 N -0.50 0.68 -1.61 -1.34 8.00 -1.26 -2.94 116.55 117.57 1j4a n ASP 82 Ca 0.02 0.68 -0.00 0.00 0.71 0.00 0.00 54.79 56.19 1j4a n ASP 82 Cb 0.36 -0.82 0.30 0.00 -0.02 0.00 0.00 41.12 40.95 1j4a n ASP 82 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1j4a n ASN 83 N -2.26 4.47 -4.38 -2.24 6.94 -1.26 -4.92 115.26 111.60 1j4a n ASN 83 Ca 0.02 -3.20 -0.33 0.00 -0.02 0.00 0.00 54.58 51.05 1j4a n ASN 83 Cb 0.22 -0.68 -0.14 0.00 -2.36 0.00 0.00 39.78 36.82 1j4a n ASN 83 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1j4a s ILE 84 N -2.96 3.27 -0.81 1.53 1.01 -1.15 -0.67 121.20 121.43 1j4a s ILE 84 Ca 0.51 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 60.34 1j4a s ILE 84 Cb 0.41 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 1j4a s ILE 84 CO 0.11 0.50 1.74 -0.62 0.00 0.00 0.00 174.94 176.67 1j4a s ASP 85 N 0.58 5.56 0.39 3.58 3.68 -0.56 -4.79 116.67 125.11 1j4a s ASP 85 Ca -0.06 -0.46 0.19 0.00 2.13 0.00 0.00 52.55 54.35 1j4a s ASP 85 Cb -0.15 -2.55 0.75 0.00 -1.45 0.00 0.00 42.92 39.52 1j4a s ASP 85 CO 0.03 -2.29 1.77 0.24 0.13 0.00 0.00 175.17 175.06 1j4a h MET 86 N 12.00 0.00 -0.33 4.34 2.86 -1.94 -1.65 114.93 130.21 1j4a h MET 86 Ca -0.05 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 1j4a h MET 86 Cb 1.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 1j4a h MET 86 CO 1.26 0.35 -0.35 0.00 1.06 0.00 0.00 176.91 179.23 1j4a h ALA 87 N 1.65 0.49 0.12 6.32 0.00 -1.95 -1.86 119.26 124.04 1j4a h ALA 87 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1j4a h ALA 87 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1j4a h ALA 87 CO 0.05 0.57 -0.06 -0.22 0.00 0.00 0.00 179.25 179.58 1j4a h LYS 88 N 0.61 -0.16 -0.59 0.00 1.63 -1.90 -1.24 116.57 114.91 1j4a h LYS 88 Ca 0.05 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.97 1j4a h LYS 88 Cb 0.94 0.04 -0.12 0.00 -0.60 0.00 0.00 32.23 32.49 1j4a h LYS 88 CO 0.09 0.13 -0.27 0.00 -3.45 0.00 0.00 179.45 175.95 1j4a h ALA 89 N 0.37 0.12 -0.72 5.00 0.00 -1.26 0.74 119.26 123.51 1j4a h ALA 89 Ca -0.02 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1j4a h ALA 89 Cb 0.37 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1j4a h ALA 89 CO 0.03 -0.59 0.46 -0.22 0.00 0.00 0.00 179.25 178.93 1j4a h LYS 90 N -0.12 0.88 -0.92 0.00 3.64 -1.34 0.21 116.57 118.93 1j4a h LYS 90 Ca 0.26 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1j4a h LYS 90 Cb 0.53 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1j4a h LYS 90 CO -0.67 0.58 0.59 1.49 -2.27 0.00 0.00 179.45 179.18 1j4a h GLU 91 N 0.91 1.09 -0.14 1.90 4.81 0.15 -1.25 114.58 122.05 1j4a h GLU 91 Ca 0.28 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1j4a h GLU 91 Cb -0.01 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.12 1j4a h GLU 91 CO -0.10 0.72 0.00 1.28 -0.73 0.00 0.00 179.01 180.18 1j4a n LEU 92 N -4.53 1.08 -0.98 1.64 4.77 0.15 -4.91 117.00 114.22 1j4a n LEU 92 Ca 0.13 -0.48 -0.10 0.00 -0.03 0.00 0.00 56.01 55.52 1j4a n LEU 92 Cb 0.12 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1j4a n LEU 92 CO 0.33 0.24 -0.11 0.61 -1.33 0.00 0.00 177.39 177.13 1j4a n GLY 93 N 0.95 0.47 3.74 -0.72 0.00 -0.47 -4.97 105.19 104.18 1j4a n GLY 93 Ca 0.13 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1j4a n GLY 93 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j4a s PHE 94 N -2.45 2.16 -0.13 1.61 0.08 0.64 -4.94 117.98 114.96 1j4a s PHE 94 Ca 0.00 1.51 0.02 0.00 0.12 0.00 0.00 56.93 58.58 1j4a s PHE 94 Cb 0.00 -3.59 0.01 0.00 -0.57 0.00 0.00 43.02 38.87 1j4a s PHE 94 CO 0.00 -2.66 -0.19 -0.65 -0.10 0.00 0.00 175.22 171.62 1j4a s GLN 95 N -3.46 2.72 0.02 0.44 -0.21 0.88 -4.79 119.66 115.25 1j4a s GLN 95 Ca 0.80 -0.74 0.05 0.00 0.02 0.00 0.00 55.36 55.48 1j4a s GLN 95 Cb -0.34 -2.25 -0.02 0.00 1.00 0.00 0.00 33.01 31.40 1j4a s GLN 95 CO 0.39 -0.06 -0.15 0.42 -2.12 0.00 0.00 175.29 173.78 1j4a s ILE 96 N 0.94 1.15 0.20 1.08 1.01 -1.26 -1.26 121.20 123.07 1j4a s ILE 96 Ca -0.05 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.80 1j4a s ILE 96 Cb -0.15 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1j4a s ILE 96 CO -0.03 0.16 -0.01 0.42 0.00 0.00 0.00 174.94 175.49 1j4a s THR 97 N -0.60 0.88 0.00 2.92 -4.23 -0.66 -0.39 115.64 113.56 1j4a s THR 97 Ca 0.04 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1j4a s THR 97 Cb -0.07 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1j4a s THR 97 CO 0.00 -0.41 0.00 -0.46 -0.54 0.00 0.00 174.62 173.21 1j4a n ASN 98 N -0.33 0.13 -3.68 3.99 6.94 -0.86 -0.21 115.26 121.25 1j4a n ASN 98 Ca -0.06 -0.60 -0.30 0.00 -0.02 0.00 0.00 54.58 53.60 1j4a n ASN 98 Cb 0.63 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.92 1j4a n ASN 98 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1j4a s VAL 99 N -1.51 1.00 0.25 3.53 1.01 -0.69 -4.72 120.40 119.27 1j4a s VAL 99 Ca 0.00 -1.99 0.07 0.00 0.00 0.00 0.00 61.98 60.06 1j4a s VAL 99 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1j4a s VAL 99 CO 0.00 -0.83 1.57 1.55 0.00 0.00 0.00 175.10 177.39 1j4a h PRO 100 N 7.28 0.11 -4.73 2.72 0.13 -1.90 -3.28 132.00 132.32 1j4a h PRO 100 Ca -0.05 -0.08 -0.50 0.00 -0.87 0.00 0.00 66.00 64.50 1j4a h PRO 100 Cb 0.97 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 31.79 1j4a h PRO 100 CO 0.44 0.71 -0.81 0.08 -0.23 0.00 0.00 178.00 178.19 1j4a s VAL 101 N -3.63 1.10 0.00 1.56 1.01 -1.26 -4.96 120.40 114.22 1j4a s VAL 101 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1j4a s VAL 101 Cb 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1j4a s VAL 101 CO 0.78 0.34 0.00 0.00 0.00 0.00 0.00 175.10 176.22 1j4a n TYR 102 N 3.52 0.00 -3.12 5.22 4.11 -1.26 -4.91 117.16 120.71 1j4a n TYR 102 Ca -0.21 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.75 1j4a n TYR 102 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1j4a n TYR 102 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1j4a s SER 103 N -2.01 -0.24 0.38 9.48 0.15 -1.26 -4.31 113.70 115.88 1j4a s SER 103 Ca 0.00 0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.73 1j4a s SER 103 Cb 0.00 1.10 0.74 0.00 -1.71 0.00 0.00 66.02 66.15 1j4a s SER 103 CO 0.00 -0.04 1.97 1.55 1.20 0.00 0.00 173.24 177.91 1j4a h PRO 104 N 7.03 0.50 -0.26 5.44 0.13 -1.97 -2.09 132.00 140.79 1j4a h PRO 104 Ca -0.10 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1j4a h PRO 104 Cb 1.18 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1j4a h PRO 104 CO -0.13 0.44 -0.00 -0.91 -0.23 0.00 0.00 178.00 177.17 1j4a h ASN 105 N 0.50 0.36 -0.60 1.44 4.21 -1.94 -1.50 115.58 118.05 1j4a h ASN 105 Ca 0.12 -0.05 0.10 0.00 1.21 0.00 0.00 56.30 57.67 1j4a h ASN 105 Cb 0.15 -0.09 -0.07 0.00 -1.12 0.00 0.00 38.32 37.18 1j4a h ASN 105 CO -0.01 0.42 0.21 0.00 -1.29 0.00 0.00 177.43 176.76 1j4a h ALA 106 N 1.63 0.77 0.18 -0.83 0.00 -1.64 -0.13 119.26 119.23 1j4a h ALA 106 Ca 0.09 0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 1j4a h ALA 106 Cb 0.26 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.15 1j4a h ALA 106 CO 0.01 -0.21 -1.09 0.82 0.00 0.00 0.00 179.25 178.78 1j4a h ILE 107 N 0.38 1.40 -0.63 0.00 2.04 -1.35 -2.80 117.51 116.56 1j4a h ILE 107 Ca 0.31 -2.59 -0.06 0.00 1.00 0.00 0.00 64.86 63.52 1j4a h ILE 107 Cb 0.39 3.13 -0.03 0.00 -0.74 0.00 0.00 36.82 39.57 1j4a h ILE 107 CO -0.32 0.75 0.15 0.00 0.00 0.00 0.00 178.15 178.73 1j4a h ALA 108 N 0.10 0.83 -0.33 1.87 0.00 -1.22 -2.30 119.26 118.21 1j4a h ALA 108 Ca -0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1j4a h ALA 108 Cb 1.84 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1j4a h ALA 108 CO 0.19 0.55 -0.08 0.93 0.00 0.00 0.00 179.25 180.84 1j4a h GLU 109 N 0.93 0.55 -0.22 0.00 5.08 -1.08 -0.86 114.58 118.97 1j4a h GLU 109 Ca 0.20 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1j4a h GLU 109 Cb 0.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1j4a h GLU 109 CO 0.00 0.63 0.10 1.25 -1.00 0.00 0.00 179.01 179.99 1j4a h HIS 110 N 0.51 0.34 0.01 4.33 2.76 -1.20 0.15 115.15 122.04 1j4a h HIS 110 Ca 0.10 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.27 1j4a h HIS 110 Cb 0.45 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.27 1j4a h HIS 110 CO 0.02 0.36 -0.19 0.00 -1.30 0.00 0.00 177.93 176.81 1j4a h ALA 111 N 0.95 -0.24 -0.20 5.26 0.00 -1.10 -1.00 119.26 122.92 1j4a h ALA 111 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1j4a h ALA 111 Cb 0.16 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1j4a h ALA 111 CO -0.01 -0.69 0.09 0.00 0.00 0.00 0.00 179.25 178.64 1j4a h ALA 112 N 0.59 0.23 -0.08 0.00 0.00 -0.81 -0.73 119.26 118.45 1j4a h ALA 112 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j4a h ALA 112 Cb 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1j4a h ALA 112 CO -0.17 -0.33 0.05 0.82 0.00 0.00 0.00 179.25 179.61 1j4a h ILE 113 N 0.19 1.05 -0.78 0.00 2.04 -0.70 -1.32 117.51 117.99 1j4a h ILE 113 Ca 0.08 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1j4a h ILE 113 Cb 0.03 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1j4a h ILE 113 CO -0.07 0.04 0.34 1.56 0.00 0.00 0.00 178.15 180.02 1j4a h GLN 114 N 0.09 1.15 -0.10 2.37 1.08 -1.05 -1.01 115.11 117.65 1j4a h GLN 114 Ca 0.03 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1j4a h GLN 114 Cb 0.02 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.25 1j4a h GLN 114 CO -0.01 0.92 0.06 0.00 -0.95 0.00 0.00 178.83 178.85 1j4a h ALA 115 N 1.17 0.12 -0.60 3.87 0.00 -0.99 -0.76 119.26 122.09 1j4a h ALA 115 Ca 0.26 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1j4a h ALA 115 Cb 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1j4a h ALA 115 CO -0.03 -0.37 0.37 0.00 0.00 0.00 0.00 179.25 179.22 1j4a h ALA 116 N 1.00 0.77 -0.58 0.00 0.00 -0.97 -1.54 119.26 117.94 1j4a h ALA 116 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j4a h ALA 116 Cb 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1j4a h ALA 116 CO -0.01 0.11 0.36 0.00 0.00 0.00 0.00 179.25 179.71 1j4a h ARG 117 N 0.73 0.79 -0.52 0.00 3.08 -0.94 -0.98 114.38 116.55 1j4a h ARG 117 Ca 0.24 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1j4a h ARG 117 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1j4a h ARG 117 CO -0.09 0.56 0.28 0.82 -1.07 0.00 0.00 179.97 180.47 1j4a h ILE 118 N 0.79 1.18 -0.67 2.04 1.08 -0.79 -2.05 117.51 119.08 1j4a h ILE 118 Ca 0.21 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1j4a h ILE 118 Cb -0.03 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 1j4a h ILE 118 CO -0.04 0.19 0.41 -0.07 -0.69 0.00 0.00 178.15 177.95 1j4a h LEU 119 N 0.69 0.79 0.00 1.44 3.38 -1.10 -2.49 115.31 118.01 1j4a h LEU 119 Ca 0.18 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1j4a h LEU 119 Cb 0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1j4a h LEU 119 CO -0.03 0.60 -0.05 -1.14 0.09 0.00 0.00 178.44 177.92 1j4a n ARG 120 N -4.41 0.02 -3.30 1.13 3.00 -0.39 -1.22 116.66 111.49 1j4a n ARG 120 Ca 0.07 0.02 -0.24 0.00 -0.00 0.00 0.00 57.85 57.70 1j4a n ARG 120 Cb 0.06 -1.52 0.05 0.00 0.00 0.00 0.00 32.46 31.05 1j4a n ARG 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1j4a n GLN 121 N -1.56 -5.89 -0.07 -0.14 6.02 -0.82 -4.00 117.38 110.92 1j4a n GLN 121 Ca 0.07 0.83 0.01 0.00 -0.01 0.00 0.00 57.00 57.90 1j4a n GLN 121 Cb 0.35 -5.76 0.31 0.00 1.02 0.00 0.00 30.24 26.16 1j4a n GLN 121 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1j4a h ASP 122 N -1.86 0.62 -0.30 1.08 3.32 -1.75 -1.80 116.42 115.72 1j4a h ASP 122 Ca -0.54 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.39 1j4a h ASP 122 Cb 1.36 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1j4a h ASP 122 CO 0.57 0.53 -0.04 0.50 -1.72 0.00 0.00 179.24 179.08 1j4a h LYS 123 N 0.69 0.56 -0.62 3.56 3.64 -1.82 0.69 116.57 123.27 1j4a h LYS 123 Ca 0.17 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1j4a h LYS 123 Cb 0.08 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1j4a h LYS 123 CO -0.02 0.73 0.22 0.00 -2.27 0.00 0.00 179.45 178.11 1j4a h ALA 124 N 0.81 1.22 -0.17 5.00 0.00 -1.66 -0.60 119.26 123.86 1j4a h ALA 124 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1j4a h ALA 124 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1j4a h ALA 124 CO 0.02 0.56 0.01 1.98 0.00 0.00 0.00 179.25 181.82 1j4a h MET 125 N 0.90 0.29 -0.79 0.00 1.85 -0.93 -2.55 114.93 113.70 1j4a h MET 125 Ca 0.21 -0.09 -0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1j4a h MET 125 Cb 0.22 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.18 1j4a h MET 125 CO -0.01 0.49 0.48 -0.44 -0.40 0.00 0.00 176.91 177.03 1j4a h ASP 126 N 0.05 0.94 -0.63 1.39 3.32 -0.72 -1.84 116.42 118.93 1j4a h ASP 126 Ca 0.05 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1j4a h ASP 126 Cb 0.36 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1j4a h ASP 126 CO 0.01 0.71 0.25 -0.08 -1.72 0.00 0.00 179.24 178.41 1j4a h GLU 127 N 1.08 0.94 0.12 3.56 4.22 -1.00 -0.64 114.58 122.86 1j4a h GLU 127 Ca 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 1j4a h GLU 127 Cb -0.05 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1j4a h GLU 127 CO -0.05 0.80 -0.06 0.87 -2.18 0.00 0.00 179.01 178.39 1j4a h LYS 128 N 0.88 -0.15 -0.92 1.92 1.57 -1.14 -3.19 116.57 115.54 1j4a h LYS 128 Ca 0.21 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.07 1j4a h LYS 128 Cb 0.21 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 1j4a h LYS 128 CO -0.02 0.11 0.57 0.28 -0.57 0.00 0.00 179.45 179.82 1j4a h VAL 129 N -0.41 1.02 -0.04 0.50 2.07 -1.24 -1.27 116.25 116.88 1j4a h VAL 129 Ca -0.02 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1j4a h VAL 129 Cb 0.33 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1j4a h VAL 129 CO 0.03 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.79 1j4a h ALA 130 N 1.44 1.90 -0.02 1.67 0.00 -1.14 -0.60 119.26 122.51 1j4a h ALA 130 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1j4a h ALA 130 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1j4a h ALA 130 CO -0.19 0.08 -0.06 0.54 0.00 0.00 0.00 179.25 179.61 1j4a n ARG 131 N -4.48 1.56 -1.03 0.00 1.74 -0.57 -4.94 116.66 108.94 1j4a n ARG 131 Ca -0.02 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 1j4a n ARG 131 Cb 0.12 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1j4a n ARG 131 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1j4a n HIS 132 N 0.14 0.00 -3.03 -1.55 8.25 -0.23 -5.01 115.22 113.79 1j4a n HIS 132 Ca 0.17 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.19 1j4a n HIS 132 Cb 0.38 -0.52 -0.04 0.00 1.12 0.00 0.00 29.99 30.93 1j4a n HIS 132 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1j4a s ASP 133 N -2.97 6.19 -0.11 0.41 2.15 -0.66 -4.90 116.67 116.77 1j4a s ASP 133 Ca 0.00 -1.24 0.15 0.00 0.43 0.00 0.00 52.55 51.88 1j4a s ASP 133 Cb 0.00 -2.34 0.62 0.00 -0.30 0.00 0.00 42.92 40.91 1j4a s ASP 133 CO 0.00 -1.20 1.50 0.18 -0.17 0.00 0.00 175.17 175.48 1j4a n LEU 134 N 6.76 4.23 -4.72 -1.34 4.77 -1.26 -3.22 117.00 122.21 1j4a n LEU 134 Ca -0.07 -2.13 -0.41 0.00 -0.03 0.00 0.00 56.01 53.36 1j4a n LEU 134 Cb 0.44 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1j4a n LEU 134 CO 0.60 0.68 0.76 -0.13 -1.33 0.00 0.00 177.39 177.97 1j4a s ARG 135 N -1.89 4.58 -0.01 3.23 0.52 -1.26 -4.96 118.95 119.16 1j4a s ARG 135 Ca 0.44 1.60 -0.20 0.00 -0.52 0.00 0.00 55.73 57.05 1j4a s ARG 135 Cb 0.29 -3.35 -0.29 0.00 0.52 0.00 0.00 34.95 32.12 1j4a s ARG 135 CO 0.20 0.01 1.00 0.11 0.02 0.00 0.00 175.30 176.64 1j4a h TRP 136 N 5.92 0.65 -4.07 -0.53 5.08 -1.98 -3.45 115.95 117.58 1j4a h TRP 136 Ca -0.43 -0.42 -0.56 0.00 1.08 0.00 0.00 58.89 58.56 1j4a h TRP 136 Cb 1.21 -0.05 0.15 0.00 -3.00 0.00 0.00 29.16 27.48 1j4a h TRP 136 CO 0.65 1.29 0.56 0.00 -1.28 0.00 0.00 178.44 179.67 1j4a n ALA 137 N -2.65 1.39 -1.10 0.11 0.00 -1.26 -1.28 120.51 115.73 1j4a n ALA 137 Ca -0.13 0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1j4a n ALA 137 Cb 0.81 -2.34 0.28 0.00 0.00 0.00 0.00 19.45 18.19 1j4a n ALA 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j4a n PRO 138 N -1.45 3.34 -1.39 0.00 -0.04 -1.26 -5.04 135.00 129.15 1j4a n PRO 138 Ca 0.13 -3.08 -0.39 0.00 -0.04 0.00 0.00 63.50 60.12 1j4a n PRO 138 Cb 0.46 -2.19 -0.02 0.00 -0.04 0.00 0.00 33.50 31.71 1j4a n PRO 138 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1j4a n THR 139 N -0.41 3.74 -2.74 0.52 -1.04 -0.40 -4.94 114.28 109.00 1j4a n THR 139 Ca 0.45 -2.58 -0.39 0.00 -2.04 0.00 0.00 64.05 59.49 1j4a n THR 139 Cb 1.44 -2.56 -0.06 0.00 -1.82 0.00 0.00 70.33 67.33 1j4a n THR 139 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1j4a s ILE 140 N 2.77 4.07 0.38 12.58 2.07 -1.26 -4.90 121.20 136.90 1j4a s ILE 140 Ca 0.59 1.98 -0.13 0.00 -1.41 0.00 0.00 60.65 61.68 1j4a s ILE 140 Cb 0.16 -4.22 -0.08 0.00 0.13 0.00 0.00 42.46 38.45 1j4a s ILE 140 CO -0.06 0.40 0.77 -0.83 -1.91 0.00 0.00 174.94 173.31 1j4a s GLY 141 N -1.28 2.14 -0.19 1.50 0.00 -1.26 -4.64 107.32 103.59 1j4a s GLY 141 Ca 0.44 -0.05 -0.06 0.00 0.00 0.00 0.00 44.72 45.05 1j4a s GLY 141 CO 0.30 0.15 0.03 0.50 0.00 0.00 0.00 173.10 174.08 1j4a s ARG 142 N -3.46 3.76 0.34 2.90 0.52 -0.36 -4.97 118.95 117.68 1j4a s ARG 142 Ca 0.53 -0.45 -0.27 0.00 -0.52 0.00 0.00 55.73 55.02 1j4a s ARG 142 Cb -0.10 -3.14 -0.09 0.00 0.52 0.00 0.00 34.95 32.14 1j4a s ARG 142 CO 0.25 0.11 1.10 -1.21 0.02 0.00 0.00 175.30 175.57 1j4a s GLU 143 N 0.77 4.38 0.30 3.54 2.02 -1.26 -4.14 118.70 124.30 1j4a s GLU 143 Ca 0.02 1.73 -0.02 0.00 0.02 0.00 0.00 54.97 56.72 1j4a s GLU 143 Cb -0.14 -2.89 0.44 0.00 0.10 0.00 0.00 34.13 31.64 1j4a s GLU 143 CO 0.02 -0.01 1.94 0.28 0.02 0.00 0.00 175.26 177.51 1j4a h VAL 144 N 2.67 1.21 0.00 2.63 2.07 -1.94 -2.15 116.25 120.75 1j4a h VAL 144 Ca -0.48 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1j4a h VAL 144 Cb 1.22 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1j4a h VAL 144 CO 0.65 0.23 -0.01 0.08 0.02 0.00 0.00 177.57 178.53 1j4a h ARG 145 N 1.04 0.00 -0.00 1.57 0.11 -1.85 -1.48 114.38 113.78 1j4a h ARG 145 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1j4a h ARG 145 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1j4a h ARG 145 CO -0.05 0.01 -0.16 -0.25 0.10 0.00 0.00 179.97 179.62 1j4a n ASP 146 N -3.14 0.28 -4.94 0.08 9.92 -0.81 -4.23 116.55 113.71 1j4a n ASP 146 Ca -0.01 -0.07 -0.24 0.00 -0.53 0.00 0.00 54.79 53.93 1j4a n ASP 146 Cb 0.19 -0.16 -0.02 0.00 -0.64 0.00 0.00 41.12 40.49 1j4a n ASP 146 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1j4a s GLN 147 N -2.80 3.49 -0.25 -1.24 -1.52 -0.56 -5.01 119.66 111.76 1j4a s GLN 147 Ca 0.19 -0.40 -0.09 0.00 -1.95 0.00 0.00 55.36 53.10 1j4a s GLN 147 Cb 0.19 -2.74 -0.04 0.00 -0.22 0.00 0.00 33.01 30.20 1j4a s GLN 147 CO 0.55 0.25 0.13 0.08 -0.25 0.00 0.00 175.29 176.06 1j4a s VAL 148 N -2.16 4.95 -0.25 1.09 1.01 -1.26 -2.44 120.40 121.35 1j4a s VAL 148 Ca 0.39 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1j4a s VAL 148 Cb -0.10 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1j4a s VAL 148 CO 0.33 0.31 0.05 -0.69 0.00 0.00 0.00 175.10 175.11 1j4a s VAL 149 N 1.46 4.14 -0.31 2.92 1.01 0.09 -0.64 120.40 129.07 1j4a s VAL 149 Ca 0.06 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 1j4a s VAL 149 Cb -0.15 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1j4a s VAL 149 CO 0.07 0.34 0.40 -0.83 0.00 0.00 0.00 175.10 175.08 1j4a s GLY 150 N 1.59 1.87 -0.28 4.51 0.00 0.16 -0.66 107.32 114.51 1j4a s GLY 150 Ca 0.06 -0.97 -0.07 0.00 0.00 0.00 0.00 44.72 43.74 1j4a s GLY 150 CO 0.02 1.05 0.09 0.14 0.00 0.00 0.00 173.10 174.40 1j4a s VAL 151 N 2.13 4.18 -0.61 1.40 1.01 0.13 -1.43 120.40 127.21 1j4a s VAL 151 Ca 0.15 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 1j4a s VAL 151 Cb -0.16 -3.08 0.11 0.00 0.00 0.00 0.00 36.38 33.25 1j4a s VAL 151 CO 0.11 0.17 0.72 -0.69 0.00 0.00 0.00 175.10 175.41 1j4a s VAL 152 N 1.56 4.83 0.00 2.92 1.01 -0.69 -1.43 120.40 128.60 1j4a s VAL 152 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1j4a s VAL 152 Cb -0.16 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.72 1j4a s VAL 152 CO 0.03 -1.14 0.00 0.61 0.00 0.00 0.00 175.10 174.60 1j4a n GLY 153 N 5.26 1.94 2.39 4.51 0.00 0.98 -0.56 105.19 119.71 1j4a n GLY 153 Ca -0.08 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 1j4a n GLY 153 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j4a n THR 154 N 2.03 2.55 -0.53 2.61 -2.24 -1.26 -4.32 114.28 113.12 1j4a n THR 154 Ca 0.00 -4.65 0.00 0.00 -2.27 0.00 0.00 64.05 57.13 1j4a n THR 154 Cb 0.00 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1j4a n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j4a n GLY 155 N -0.56 -0.67 0.15 3.38 0.00 -1.26 -4.62 105.19 101.61 1j4a n GLY 155 Ca 0.42 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 1j4a n GLY 155 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1j4a h HIS 156 N -0.34 -0.27 0.19 1.61 -0.00 -1.95 -1.33 115.15 113.07 1j4a h HIS 156 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1j4a h HIS 156 Cb 0.00 0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1j4a h HIS 156 CO 0.00 -0.17 -0.11 0.82 -0.00 0.00 0.00 177.93 178.48 1j4a h ILE 157 N -0.25 0.78 -0.60 2.45 2.04 -1.93 -2.47 117.51 117.54 1j4a h ILE 157 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1j4a h ILE 157 Cb 0.23 0.78 -0.11 0.00 -0.74 0.00 0.00 36.82 36.97 1j4a h ILE 157 CO -0.02 0.00 -0.15 1.23 0.00 0.00 0.00 178.15 179.21 1j4a h GLY 158 N -0.28 0.43 1.29 5.37 0.00 -1.71 -1.38 103.07 106.79 1j4a h GLY 158 Ca -0.02 0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1j4a h GLY 158 CO 0.03 -0.23 0.18 1.46 0.00 0.00 0.00 176.54 177.98 1j4a h GLN 159 N -0.00 0.89 -0.55 4.80 4.20 -1.17 0.06 115.11 123.35 1j4a h GLN 159 Ca 0.29 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1j4a h GLN 159 Cb 0.44 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1j4a h GLN 159 CO -0.61 0.77 0.10 0.28 -0.67 0.00 0.00 178.83 178.70 1j4a h VAL 160 N 0.86 1.25 -0.34 -0.54 2.07 -0.92 -1.39 116.25 117.25 1j4a h VAL 160 Ca 0.19 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1j4a h VAL 160 Cb 0.26 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1j4a h VAL 160 CO -0.01 0.34 -0.02 0.15 0.02 0.00 0.00 177.57 178.05 1j4a h PHE 161 N 0.79 0.55 -0.55 1.57 3.04 -0.79 -1.75 116.94 119.79 1j4a h PHE 161 Ca 0.17 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 1j4a h PHE 161 Cb 0.39 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.72 1j4a h PHE 161 CO 0.03 0.56 0.28 0.52 -2.02 0.00 0.00 178.31 177.67 1j4a h MET 162 N 0.51 0.79 -0.64 1.11 2.86 -0.42 -1.69 114.93 117.44 1j4a h MET 162 Ca 0.11 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1j4a h MET 162 Cb 0.36 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1j4a h MET 162 CO 0.01 0.64 0.30 0.37 1.06 0.00 0.00 176.91 179.29 1j4a h GLN 163 N 0.75 0.94 -0.04 1.72 4.15 -0.63 -1.33 115.11 120.66 1j4a h GLN 163 Ca 0.19 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1j4a h GLN 163 Cb 0.10 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 1j4a h GLN 163 CO -0.03 0.76 0.01 0.82 -1.93 0.00 0.00 178.83 178.46 1j4a h ILE 164 N 0.89 1.19 -0.63 2.39 2.04 -1.10 -0.35 117.51 121.95 1j4a h ILE 164 Ca 0.22 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1j4a h ILE 164 Cb 0.14 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1j4a h ILE 164 CO -0.03 0.16 0.22 0.24 0.00 0.00 0.00 178.15 178.75 1j4a h MET 165 N -0.15 0.94 -0.61 2.37 2.86 -1.24 -2.04 114.93 117.06 1j4a h MET 165 Ca 0.01 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1j4a h MET 165 Cb 0.25 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1j4a h MET 165 CO 0.00 0.79 0.15 0.93 1.06 0.00 0.00 176.91 179.84 1j4a h GLU 166 N 0.92 0.95 0.00 1.72 5.08 -1.08 -1.71 114.58 120.45 1j4a h GLU 166 Ca 0.21 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1j4a h GLU 166 Cb 0.22 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1j4a h GLU 166 CO -0.01 0.85 -0.09 0.78 -1.00 0.00 0.00 179.01 179.54 1j4a h GLY 167 N 1.02 0.00 2.00 -3.84 0.00 -0.38 0.40 103.07 102.27 1j4a h GLY 167 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1j4a h GLY 167 CO -0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.28 1j4a h PHE 168 N 0.00 0.00 0.00 5.60 0.04 -0.76 -3.47 116.94 118.35 1j4a h PHE 168 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1j4a h PHE 168 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1j4a h PHE 168 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1j4a n GLY 169 N 0.64 0.99 3.81 -1.45 0.00 0.14 -4.09 105.19 105.24 1j4a n GLY 169 Ca 0.03 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1j4a n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4a s ALA 170 N -2.00 2.73 -0.16 4.61 0.00 -0.98 -4.72 121.76 121.24 1j4a s ALA 170 Ca 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 51.93 1j4a s ALA 170 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1j4a s ALA 170 CO 0.00 -1.00 0.82 0.21 0.00 0.00 0.00 175.76 175.80 1j4a s LYS 171 N -4.59 4.31 -0.17 0.00 2.20 -1.02 -4.42 119.74 116.05 1j4a s LYS 171 Ca 0.60 1.01 -0.05 0.00 -0.36 0.00 0.00 55.97 57.17 1j4a s LYS 171 Cb -0.15 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1j4a s LYS 171 CO 0.46 -0.29 -0.00 0.08 -0.36 0.00 0.00 175.35 175.24 1j4a s VAL 172 N 2.02 4.19 0.23 4.02 1.01 -1.26 -0.73 120.40 129.87 1j4a s VAL 172 Ca 0.38 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.21 1j4a s VAL 172 Cb -0.17 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1j4a s VAL 172 CO 0.13 0.47 -0.17 0.27 0.00 0.00 0.00 175.10 175.81 1j4a s ILE 173 N 0.44 2.01 0.10 2.22 -4.36 0.16 -4.86 121.20 116.91 1j4a s ILE 173 Ca -0.01 -2.24 -0.09 0.00 -0.26 0.00 0.00 60.65 58.04 1j4a s ILE 173 Cb -0.14 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.47 1j4a s ILE 173 CO 0.02 -0.49 0.22 -0.89 0.24 0.00 0.00 174.94 174.05 1j4a s THR 174 N -2.68 0.12 -0.03 8.37 2.01 -0.16 -0.69 115.64 122.58 1j4a s THR 174 Ca 0.24 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1j4a s THR 174 Cb -0.03 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 71.10 1j4a s THR 174 CO 0.10 -0.56 -0.00 -0.47 -0.69 0.00 0.00 174.62 172.99 1j4a s TYR 175 N -3.87 0.35 -0.20 4.92 5.04 -0.51 -1.21 117.35 121.86 1j4a s TYR 175 Ca 0.07 -0.02 -0.14 0.00 -2.44 0.00 0.00 57.07 54.54 1j4a s TYR 175 Cb 0.04 -0.43 0.06 0.00 0.35 0.00 0.00 41.96 41.99 1j4a s TYR 175 CO -0.09 -0.13 0.51 0.34 -1.34 0.00 0.00 175.55 174.84 1j4a s ASP 176 N 1.00 -0.61 0.42 4.32 -1.08 -1.26 -0.01 116.67 119.45 1j4a s ASP 176 Ca -0.10 1.08 0.14 0.00 -0.52 0.00 0.00 52.55 53.15 1j4a s ASP 176 Cb -0.14 1.02 0.90 0.00 -1.46 0.00 0.00 42.92 43.24 1j4a s ASP 176 CO -0.02 -0.20 1.94 0.16 0.52 0.00 0.00 175.17 177.57 1j4a h ILE 177 N 4.91 1.18 -3.51 4.11 3.07 -2.00 -3.34 117.51 121.93 1j4a h ILE 177 Ca -0.31 -0.84 -0.69 0.00 1.55 0.00 0.00 64.86 64.57 1j4a h ILE 177 Cb 1.19 1.44 -0.36 0.00 -0.27 0.00 0.00 36.82 38.82 1j4a h ILE 177 CO 0.22 0.24 -0.52 -0.36 -1.05 0.00 0.00 178.15 176.68 1j4a s PHE 178 N -4.50 3.53 0.20 0.16 2.99 -1.26 -5.10 117.98 114.00 1j4a s PHE 178 Ca -0.04 -2.59 -0.30 0.00 0.00 0.00 0.00 56.93 54.00 1j4a s PHE 178 Cb 0.15 -3.17 -0.09 0.00 0.00 0.00 0.00 43.02 39.91 1j4a s PHE 178 CO 0.71 -0.92 1.33 1.03 -0.00 0.00 0.00 175.22 177.37 1j4a s ARG 179 N 0.72 4.37 0.02 0.44 0.52 -1.26 -4.96 118.95 118.81 1j4a s ARG 179 Ca 0.11 2.08 -0.30 0.00 -0.52 0.00 0.00 55.73 57.10 1j4a s ARG 179 Cb -0.22 -3.19 -0.06 0.00 0.52 0.00 0.00 34.95 32.00 1j4a s ARG 179 CO -0.04 -0.29 1.46 1.21 0.02 0.00 0.00 175.30 177.65 1j4a s ASN 180 N 0.42 6.79 0.19 0.23 3.84 -1.26 -4.92 114.94 120.24 1j4a s ASN 180 Ca 0.58 2.21 -0.12 0.00 0.21 0.00 0.00 52.86 55.74 1j4a s ASN 180 Cb -0.37 -2.56 0.19 0.00 -0.55 0.00 0.00 41.25 37.96 1j4a s ASN 180 CO 0.38 -0.75 1.77 -0.65 -2.79 0.00 0.00 177.10 175.06 1j4a h PRO 181 N 7.86 0.46 -0.58 0.43 0.11 -1.99 0.31 132.00 138.60 1j4a h PRO 181 Ca -0.39 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 1j4a h PRO 181 Cb 1.19 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1j4a h PRO 181 CO 0.91 0.30 -0.05 0.93 -0.21 0.00 0.00 178.00 179.88 1j4a h GLU 182 N 0.47 1.05 -0.47 1.05 5.08 -1.99 -1.39 114.58 118.37 1j4a h GLU 182 Ca 0.26 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1j4a h GLU 182 Cb 0.22 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1j4a h GLU 182 CO -0.21 1.05 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.69 1j4a h LEU 183 N 0.95 0.84 -0.59 1.33 3.38 -1.87 -1.98 115.31 117.37 1j4a h LEU 183 Ca 0.16 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1j4a h LEU 183 Cb 0.61 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1j4a h LEU 183 CO 0.04 0.95 0.09 -0.08 0.09 0.00 0.00 178.44 179.53 1j4a h GLU 184 N 0.77 0.98 -0.78 1.13 4.81 -0.77 -2.35 114.58 118.37 1j4a h GLU 184 Ca 0.13 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1j4a h GLU 184 Cb 0.59 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1j4a h GLU 184 CO 0.04 0.93 0.50 0.87 -0.73 0.00 0.00 179.01 180.62 1j4a h LYS 185 N 0.88 0.96 0.00 1.92 1.57 -0.93 -1.56 116.57 119.41 1j4a h LYS 185 Ca 0.18 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1j4a h LYS 185 Cb 0.43 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1j4a h LYS 185 CO 0.01 0.64 0.00 1.63 -0.57 0.00 0.00 179.45 181.16 1j4a n LYS 186 N -4.59 0.45 -1.22 3.15 5.02 -0.77 -4.90 118.16 115.29 1j4a n LYS 186 Ca 0.09 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1j4a n LYS 186 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1j4a n LYS 186 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j4a n GLY 187 N 0.47 0.45 0.12 0.72 0.00 -0.59 -4.98 105.19 101.39 1j4a n GLY 187 Ca 0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 1j4a n GLY 187 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1j4a h TYR 188 N 0.00 0.06 -3.72 1.61 0.05 -1.73 -3.46 116.97 109.78 1j4a h TYR 188 Ca 0.00 -0.03 -0.51 0.00 0.05 0.00 0.00 58.73 58.24 1j4a h TYR 188 Cb 0.30 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.04 1j4a h TYR 188 CO 0.00 0.75 0.46 0.71 -1.05 0.00 0.00 178.16 179.03 1j4a s TYR 189 N -3.41 3.63 0.19 4.88 1.51 -1.26 -0.99 117.35 121.91 1j4a s TYR 189 Ca -0.01 1.69 0.03 0.00 -1.01 0.00 0.00 57.07 57.77 1j4a s TYR 189 Cb 0.12 -3.24 -0.03 0.00 -0.11 0.00 0.00 41.96 38.69 1j4a s TYR 189 CO 0.78 -0.45 0.33 0.14 -1.11 0.00 0.00 175.55 175.24 1j4a s VAL 190 N -0.86 5.29 0.22 0.71 -7.23 -0.35 -4.89 120.40 113.29 1j4a s VAL 190 Ca 0.46 -0.80 0.05 0.00 -1.81 0.00 0.00 61.98 59.88 1j4a s VAL 190 Cb -0.30 -3.79 -0.08 0.00 0.56 0.00 0.00 36.38 32.76 1j4a s VAL 190 CO 0.38 -0.21 1.51 0.44 -0.31 0.00 0.00 175.10 176.91 1j4a h ASP 191 N 1.70 0.20 -5.04 4.85 3.32 -1.97 -3.45 116.42 116.02 1j4a h ASP 191 Ca -0.50 -0.13 -0.24 0.00 0.02 0.00 0.00 57.03 56.18 1j4a h ASP 191 Cb 1.21 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.55 1j4a h ASP 191 CO 0.65 0.83 -0.65 -0.94 -1.72 0.00 0.00 179.24 177.42 1j4a s SER 192 N -6.89 0.69 0.22 6.45 1.04 -1.26 -5.03 113.70 108.93 1j4a s SER 192 Ca -0.03 -1.22 -0.09 0.00 0.48 0.00 0.00 55.95 55.10 1j4a s SER 192 Cb 0.11 0.23 0.19 0.00 0.10 0.00 0.00 66.02 66.65 1j4a s SER 192 CO 0.80 -0.68 1.88 -0.07 0.98 0.00 0.00 173.24 176.15 1j4a h LEU 193 N 2.75 1.00 -1.04 2.42 3.38 -1.99 -1.43 115.31 120.40 1j4a h LEU 193 Ca -0.36 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.64 1j4a h LEU 193 Cb 1.21 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1j4a h LEU 193 CO 0.60 0.75 0.64 0.44 0.09 0.00 0.00 178.44 180.96 1j4a h ASP 194 N 1.16 0.99 -0.49 -0.43 3.32 -1.99 0.54 116.42 119.52 1j4a h ASP 194 Ca 0.31 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 1j4a h ASP 194 Cb -0.08 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1j4a h ASP 194 CO -0.06 0.61 0.14 0.44 -1.72 0.00 0.00 179.24 178.65 1j4a h ASP 195 N 1.11 0.78 -0.28 6.45 3.32 -1.69 -1.21 116.42 124.90 1j4a h ASP 195 Ca 0.44 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 1j4a h ASP 195 Cb 0.25 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1j4a h ASP 195 CO -0.19 0.76 0.03 0.25 -1.72 0.00 0.00 179.24 178.37 1j4a h LEU 196 N 0.81 0.46 -0.74 1.55 6.46 -0.45 -2.65 115.31 120.75 1j4a h LEU 196 Ca 0.18 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1j4a h LEU 196 Cb 0.29 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 1j4a h LEU 196 CO -0.00 0.63 0.46 1.88 -0.62 0.00 0.00 178.44 180.78 1j4a h TYR 197 N 0.28 0.96 -0.92 1.25 0.05 -0.89 0.37 116.97 118.07 1j4a h TYR 197 Ca 0.08 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.88 1j4a h TYR 197 Cb 0.37 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 37.75 1j4a h TYR 197 CO 0.03 0.64 0.61 -0.22 -1.05 0.00 0.00 178.16 178.16 1j4a h LYS 198 N 1.01 1.21 0.00 4.88 3.64 -1.14 -3.07 116.57 123.10 1j4a h LYS 198 Ca 0.27 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 1j4a h LYS 198 Cb -0.06 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.46 1j4a h LYS 198 CO -0.05 0.81 -1.70 1.04 -2.27 0.00 0.00 179.45 177.28 1j4a n GLN 199 N -4.44 0.64 -3.10 1.90 6.02 -0.84 -4.68 117.38 112.89 1j4a n GLN 199 Ca 0.10 0.09 -0.39 0.00 -0.01 0.00 0.00 57.00 56.79 1j4a n GLN 199 Cb 0.01 -1.70 -0.05 0.00 1.02 0.00 0.00 30.24 29.52 1j4a n GLN 199 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j4a s ALA 200 N -2.97 3.43 -0.03 -1.58 0.00 0.06 -4.75 121.76 115.91 1j4a s ALA 200 Ca -0.05 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.13 1j4a s ALA 200 Cb 0.09 -2.87 -0.24 0.00 0.00 0.00 0.00 23.12 20.11 1j4a s ALA 200 CO 0.83 0.10 0.72 -0.44 0.00 0.00 0.00 175.76 176.98 1j4a h ASP 201 N 5.72 0.11 -3.58 0.00 3.32 -1.22 -3.38 116.42 117.39 1j4a h ASP 201 Ca -0.44 -0.20 -0.60 0.00 0.02 0.00 0.00 57.03 55.80 1j4a h ASP 201 Cb 1.20 -0.04 -0.33 0.00 0.22 0.00 0.00 39.33 40.39 1j4a h ASP 201 CO 0.71 1.18 -0.85 -0.69 -1.72 0.00 0.00 179.24 177.87 1j4a s VAL 202 N -2.61 1.60 -0.13 -1.35 1.01 -1.01 -0.83 120.40 117.09 1j4a s VAL 202 Ca -0.07 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1j4a s VAL 202 Cb 0.08 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1j4a s VAL 202 CO 0.82 0.46 -0.14 -0.63 0.00 0.00 0.00 175.10 175.61 1j4a s ILE 203 N 0.32 1.47 -0.06 2.22 1.01 0.26 0.39 121.20 126.80 1j4a s ILE 203 Ca -0.12 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 59.99 1j4a s ILE 203 Cb -0.15 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 1j4a s ILE 203 CO 0.05 0.44 -0.22 -0.55 0.00 0.00 0.00 174.94 174.66 1j4a s SER 204 N 1.34 2.75 -0.21 3.58 0.15 -0.52 -1.07 113.70 119.72 1j4a s SER 204 Ca 0.01 -0.47 -0.12 0.00 0.70 0.00 0.00 55.95 56.07 1j4a s SER 204 Cb -0.13 -0.91 -0.05 0.00 -1.71 0.00 0.00 66.02 63.22 1j4a s SER 204 CO -0.07 0.19 0.21 -0.76 1.20 0.00 0.00 173.24 174.01 1j4a s LEU 205 N 0.06 4.16 -0.29 3.45 1.43 -0.64 -1.71 118.68 125.14 1j4a s LEU 205 Ca -0.08 0.26 0.20 0.00 -1.03 0.00 0.00 54.13 53.48 1j4a s LEU 205 Cb -0.14 -2.21 0.49 0.00 0.03 0.00 0.00 46.19 44.35 1j4a s LEU 205 CO 0.05 0.07 1.04 1.41 0.23 0.00 0.00 176.35 179.15 1j4a n HIS 206 N 4.06 1.29 -4.38 0.29 8.25 0.27 -4.11 115.22 120.89 1j4a n HIS 206 Ca -0.14 -2.43 -0.24 0.00 -0.26 0.00 0.00 57.72 54.65 1j4a n HIS 206 Cb 0.52 -0.29 -0.11 0.00 1.12 0.00 0.00 29.99 31.22 1j4a n HIS 206 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1j4a s VAL 207 N -3.57 2.08 0.59 1.59 -7.23 -1.23 -4.38 120.40 108.23 1j4a s VAL 207 Ca 0.28 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.26 1j4a s VAL 207 Cb 0.38 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 1j4a s VAL 207 CO -0.01 -0.27 1.07 -2.16 -0.31 0.00 0.00 175.10 173.42 1j4a s PRO 208 N -2.87 3.29 -0.45 4.82 0.04 -1.26 -4.67 135.00 133.90 1j4a s PRO 208 Ca 0.19 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.48 1j4a s PRO 208 Cb -0.06 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1j4a s PRO 208 CO 0.09 -0.84 3.10 -0.40 0.04 0.00 0.00 177.00 178.99 1j4a n ASP 209 N -1.89 6.30 -4.67 6.66 5.75 -1.26 -4.77 116.55 122.68 1j4a n ASP 209 Ca 0.09 -2.85 -0.29 0.00 -0.01 0.00 0.00 54.79 51.73 1j4a n ASP 209 Cb 0.52 -1.35 0.16 0.00 -1.03 0.00 0.00 41.12 39.43 1j4a n ASP 209 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1j4a s VAL 210 N -0.46 2.43 0.29 2.12 -7.23 -1.26 -4.71 120.40 111.58 1j4a s VAL 210 Ca 0.63 0.14 0.04 0.00 -1.81 0.00 0.00 61.98 60.98 1j4a s VAL 210 Cb 0.32 -2.51 0.29 0.00 0.56 0.00 0.00 36.38 35.05 1j4a s VAL 210 CO -0.11 -0.18 1.80 -0.65 -0.31 0.00 0.00 175.10 175.65 1j4a h PRO 211 N -1.80 0.83 0.00 4.82 0.11 -1.98 0.36 132.00 134.33 1j4a h PRO 211 Ca -0.51 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 1j4a h PRO 211 Cb 1.30 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j4a h PRO 211 CO 0.53 0.55 -0.01 0.00 -0.21 0.00 0.00 178.00 178.86 1j4a h ALA 212 N 1.61 1.53 -0.04 -0.75 0.00 -1.96 -2.40 119.26 117.25 1j4a h ALA 212 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1j4a h ALA 212 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1j4a h ALA 212 CO -0.34 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.01 1j4a n ASN 213 N -3.87 2.79 -4.70 0.00 3.02 0.10 -4.86 115.26 107.73 1j4a n ASN 213 Ca -0.03 -1.88 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 1j4a n ASN 213 Cb 0.09 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1j4a n ASN 213 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j4a s VAL 214 N -1.75 3.46 -1.46 2.41 1.01 -0.90 -1.86 120.40 121.31 1j4a s VAL 214 Ca 0.25 0.97 -0.09 0.00 0.00 0.00 0.00 61.98 63.11 1j4a s VAL 214 Cb 0.18 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.98 1j4a s VAL 214 CO 0.27 0.04 0.83 1.41 0.00 0.00 0.00 175.10 177.65 1j4a n HIS 215 N 4.68 -2.25 0.19 5.22 8.25 0.52 -4.85 115.22 126.98 1j4a n HIS 215 Ca 0.12 0.74 0.05 0.00 -0.26 0.00 0.00 57.72 58.38 1j4a n HIS 215 Cb 0.43 -4.17 0.51 0.00 1.12 0.00 0.00 29.99 27.88 1j4a n HIS 215 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j4a h MET 216 N -1.83 0.09 -5.31 -0.41 3.00 -0.44 -3.36 114.93 106.67 1j4a h MET 216 Ca -0.54 -0.01 -0.66 0.00 0.00 0.00 0.00 59.70 58.49 1j4a h MET 216 Cb 1.36 -0.02 -0.16 0.00 0.00 0.00 0.00 31.60 32.78 1j4a h MET 216 CO 0.59 0.18 0.20 0.42 0.00 0.00 0.00 176.91 178.31 1j4a s ILE 217 N -4.85 4.74 0.23 -0.10 -1.09 -0.99 -4.72 121.20 114.41 1j4a s ILE 217 Ca -0.05 -0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 1j4a s ILE 217 Cb 0.16 -4.34 -0.01 0.00 -1.58 0.00 0.00 42.46 36.70 1j4a s ILE 217 CO 0.70 -0.83 0.26 -0.46 -1.23 0.00 0.00 174.94 173.38 1j4a n ASN 218 N 6.53 -0.70 -0.29 3.58 0.23 -1.26 -1.87 115.26 121.48 1j4a n ASN 218 Ca -0.03 -2.35 0.05 0.00 -0.53 0.00 0.00 54.58 51.72 1j4a n ASN 218 Cb 0.47 1.42 0.19 0.00 -2.08 0.00 0.00 39.78 39.77 1j4a n ASN 218 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1j4a h ASP 219 N 1.33 0.59 -0.17 0.53 3.32 -1.93 -0.72 116.42 119.37 1j4a h ASP 219 Ca -0.17 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1j4a h ASP 219 Cb 0.79 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1j4a h ASP 219 CO 0.24 0.30 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.69 1j4a h GLU 220 N 0.70 0.32 -0.50 3.56 4.39 -1.96 -2.16 114.58 118.92 1j4a h GLU 220 Ca 0.42 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.87 1j4a h GLU 220 Cb 0.49 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1j4a h GLU 220 CO -0.30 0.58 -0.20 0.66 -1.16 0.00 0.00 179.01 178.60 1j4a h SER 221 N 0.03 1.04 -0.66 1.42 4.64 -1.78 -2.84 113.55 115.40 1j4a h SER 221 Ca 0.04 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 1j4a h SER 221 Cb 0.46 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1j4a h SER 221 CO 0.02 1.19 0.39 0.40 -0.87 0.00 0.00 176.83 177.95 1j4a h ILE 222 N 0.88 1.19 -0.35 0.95 2.04 -1.17 -1.48 117.51 119.57 1j4a h ILE 222 Ca 0.12 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1j4a h ILE 222 Cb 0.78 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1j4a h ILE 222 CO 0.06 0.21 0.13 0.00 0.00 0.00 0.00 178.15 178.55 1j4a h ALA 223 N 1.50 1.56 0.00 1.87 0.00 -1.16 -2.16 119.26 120.88 1j4a h ALA 223 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j4a h ALA 223 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1j4a h ALA 223 CO -0.04 0.34 0.00 0.87 0.00 0.00 0.00 179.25 180.42 1j4a h LYS 224 N 0.50 0.00 -7.33 0.00 1.57 -1.11 -3.46 116.57 106.74 1j4a h LYS 224 Ca 0.12 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.40 1j4a h LYS 224 Cb 0.13 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.58 1j4a h LYS 224 CO -0.01 0.00 0.29 -1.64 -0.57 0.00 0.00 179.45 177.52 1j4a s MET 225 N -3.26 1.81 0.51 3.15 -1.94 -0.81 -3.76 119.30 114.99 1j4a s MET 225 Ca 0.07 0.97 -0.20 0.00 -1.71 0.00 0.00 55.69 54.82 1j4a s MET 225 Cb 0.09 -1.86 -0.07 0.00 2.01 0.00 0.00 34.83 35.00 1j4a s MET 225 CO 0.59 -1.90 1.11 0.15 -0.01 0.00 0.00 175.02 174.95 1j4a s LYS 226 N -4.94 3.57 0.31 2.03 1.02 -1.16 -4.95 119.74 115.63 1j4a s LYS 226 Ca 0.62 1.56 -0.29 0.00 0.02 0.00 0.00 55.97 57.88 1j4a s LYS 226 Cb -0.17 -2.11 -0.12 0.00 -0.52 0.00 0.00 37.83 34.91 1j4a s LYS 226 CO 0.56 -0.66 1.44 0.94 -0.92 0.00 0.00 175.35 176.71 1j4a n GLN 227 N -1.04 2.36 -1.26 1.68 -0.06 -1.26 -2.29 117.38 115.52 1j4a n GLN 227 Ca 0.10 0.84 -0.09 0.00 -2.00 0.00 0.00 57.00 55.85 1j4a n GLN 227 Cb 0.51 -2.52 -0.04 0.00 -4.06 0.00 0.00 30.24 24.13 1j4a n GLN 227 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1j4a n ASP 228 N 1.43 -4.23 -4.76 1.69 10.43 -0.39 -4.99 116.55 115.72 1j4a n ASP 228 Ca 0.07 0.22 -0.40 0.00 2.57 0.00 0.00 54.79 57.25 1j4a n ASP 228 Cb 0.36 -2.52 0.02 0.00 1.84 0.00 0.00 41.12 40.82 1j4a n ASP 228 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1j4a s VAL 229 N -2.29 2.06 -0.20 2.53 0.11 -0.97 -4.27 120.40 117.37 1j4a s VAL 229 Ca 0.00 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.06 1j4a s VAL 229 Cb 0.00 -3.03 -0.02 0.00 -1.53 0.00 0.00 36.38 31.80 1j4a s VAL 229 CO 0.00 0.01 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.06 1j4a s VAL 230 N -1.21 3.65 -0.16 2.04 1.01 -0.01 -0.89 120.40 124.83 1j4a s VAL 230 Ca 0.62 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 1j4a s VAL 230 Cb -0.44 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1j4a s VAL 230 CO 0.56 0.43 -0.01 -0.63 0.00 0.00 0.00 175.10 175.45 1j4a s ILE 231 N 1.14 4.17 -0.07 2.22 1.01 -0.88 -0.57 121.20 128.21 1j4a s ILE 231 Ca 0.02 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1j4a s ILE 231 Cb -0.15 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.50 1j4a s ILE 231 CO 0.00 0.49 -0.15 -0.69 0.00 0.00 0.00 174.94 174.60 1j4a s VAL 232 N 0.26 1.32 -0.33 2.92 1.01 -0.24 -0.93 120.40 124.41 1j4a s VAL 232 Ca -0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1j4a s VAL 232 Cb -0.13 -1.18 0.11 0.00 0.00 0.00 0.00 36.38 35.18 1j4a s VAL 232 CO 0.02 0.39 0.14 0.21 0.00 0.00 0.00 175.10 175.86 1j4a s ASN 233 N 0.57 3.74 -0.05 3.32 2.47 -0.11 -1.62 114.94 123.25 1j4a s ASN 233 Ca -0.15 -1.77 0.16 0.00 0.42 0.00 0.00 52.86 51.53 1j4a s ASN 233 Cb -0.16 -0.72 0.53 0.00 -1.45 0.00 0.00 41.25 39.45 1j4a s ASN 233 CO 0.05 -0.39 1.45 1.33 -3.72 0.00 0.00 177.10 175.82 1j4a n VAL 234 N 4.65 1.38 0.00 -5.21 0.24 -1.26 -1.99 118.33 116.14 1j4a n VAL 234 Ca 0.00 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.14 1j4a n VAL 234 Cb 0.40 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1j4a n VAL 234 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1j4a n SER 235 N 0.84 0.00 -3.72 -1.34 2.88 -1.26 -4.87 113.62 106.15 1j4a n SER 235 Ca 0.20 0.10 -0.12 0.00 -1.33 0.00 0.00 58.87 57.72 1j4a n SER 235 Cb 0.66 -0.35 -0.12 0.00 -0.75 0.00 0.00 64.21 63.65 1j4a n SER 235 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1j4a s ARG 236 N -0.71 0.32 0.19 -1.46 1.81 -1.26 -4.96 118.95 112.88 1j4a s ARG 236 Ca 0.00 0.61 -0.17 0.00 -1.72 0.00 0.00 55.73 54.46 1j4a s ARG 236 Cb 0.00 -0.02 0.16 0.00 -0.45 0.00 0.00 34.95 34.65 1j4a s ARG 236 CO 0.00 -0.13 1.63 0.78 -0.68 0.00 0.00 175.30 176.89 1j4a h GLY 237 N 6.82 0.24 1.36 -3.53 0.00 -1.87 -2.32 103.07 103.77 1j4a h GLY 237 Ca -0.36 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1j4a h GLY 237 CO 0.33 -0.22 0.00 -1.05 0.00 0.00 0.00 176.54 175.60 1j4a n PRO 238 N -5.41 0.29 0.21 4.80 -0.02 -1.26 -2.05 135.00 131.57 1j4a n PRO 238 Ca 0.05 0.10 0.07 0.00 -2.02 0.00 0.00 63.50 61.70 1j4a n PRO 238 Cb 0.31 -1.50 0.47 0.00 -0.02 0.00 0.00 33.50 32.76 1j4a n PRO 238 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1j4a h LEU 239 N 0.00 0.00 -8.50 2.45 3.38 -1.65 0.15 115.31 111.15 1j4a h LEU 239 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1j4a h LEU 239 Cb 0.08 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.53 1j4a h LEU 239 CO 0.00 0.28 -0.84 -0.69 0.09 0.00 0.00 178.44 177.28 1j4a s VAL 240 N -3.92 2.43 -0.74 1.22 1.01 -0.87 -1.29 120.40 118.25 1j4a s VAL 240 Ca -0.01 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 1j4a s VAL 240 Cb 0.12 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1j4a s VAL 240 CO 0.66 0.55 1.21 -0.62 0.00 0.00 0.00 175.10 176.91 1j4a s ASP 241 N 0.16 6.19 0.22 3.32 -1.08 -0.78 -4.83 116.67 119.86 1j4a s ASP 241 Ca -0.11 -0.65 -0.08 0.00 -0.52 0.00 0.00 52.55 51.19 1j4a s ASP 241 Cb -0.16 -2.52 0.35 0.00 -1.46 0.00 0.00 42.92 39.13 1j4a s ASP 241 CO 0.06 -1.72 1.70 0.74 0.52 0.00 0.00 175.17 176.47 1j4a h THR 242 N 6.05 0.60 -0.71 1.71 2.02 -1.92 -1.03 112.91 119.63 1j4a h THR 242 Ca -0.25 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1j4a h THR 242 Cb 1.05 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1j4a h THR 242 CO 1.26 0.05 0.47 0.44 0.37 0.00 0.00 175.52 178.11 1j4a h ASP 243 N 0.27 0.77 -0.50 4.18 3.32 -1.98 -1.10 116.42 121.39 1j4a h ASP 243 Ca 0.35 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1j4a h ASP 243 Cb 0.55 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1j4a h ASP 243 CO -0.44 0.55 0.31 0.00 -1.72 0.00 0.00 179.24 177.93 1j4a h ALA 244 N 1.57 0.64 -0.58 3.45 0.00 -1.55 -0.81 119.26 121.99 1j4a h ALA 244 Ca 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1j4a h ALA 244 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1j4a h ALA 244 CO -0.07 0.12 0.21 0.28 0.00 0.00 0.00 179.25 179.79 1j4a h VAL 245 N 0.67 1.23 -0.93 0.00 2.07 -1.11 -1.56 116.25 116.62 1j4a h VAL 245 Ca 0.18 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1j4a h VAL 245 Cb -0.02 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1j4a h VAL 245 CO -0.03 0.29 0.55 0.40 0.02 0.00 0.00 177.57 178.79 1j4a h ILE 246 N 0.81 1.26 -0.88 4.57 2.04 -0.97 0.25 117.51 124.58 1j4a h ILE 246 Ca 0.19 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1j4a h ILE 246 Cb 0.23 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.23 1j4a h ILE 246 CO -0.01 0.28 0.57 0.03 0.00 0.00 0.00 178.15 179.02 1j4a h ARG 247 N 1.29 1.17 -0.64 2.37 3.08 -0.94 0.22 114.38 120.94 1j4a h ARG 247 Ca 0.33 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 1j4a h ARG 247 Cb -0.04 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.73 1j4a h ARG 247 CO -0.06 0.78 0.26 0.78 -1.07 0.00 0.00 179.97 180.66 1j4a h GLY 248 N 1.20 1.02 0.87 0.04 0.00 -0.40 -1.10 103.07 104.69 1j4a h GLY 248 Ca 0.32 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1j4a h GLY 248 CO -0.07 0.52 0.03 1.41 0.00 0.00 0.00 176.54 178.43 1j4a h LEU 249 N 0.89 0.43 -1.23 3.11 3.38 -0.50 -1.35 115.31 120.05 1j4a h LEU 249 Ca 0.21 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1j4a h LEU 249 Cb 0.19 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1j4a h LEU 249 CO -0.02 0.60 0.47 0.44 0.09 0.00 0.00 178.44 180.02 1j4a h ASP 250 N 0.24 0.87 1.43 -0.43 3.32 -0.43 -2.06 116.42 119.36 1j4a h ASP 250 Ca 0.08 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1j4a h ASP 250 Cb 0.36 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1j4a h ASP 250 CO 0.01 0.65 -0.05 -1.54 -1.72 0.00 0.00 179.24 176.59 1j4a n SER 251 N -4.41 0.81 0.00 6.45 3.41 -0.43 -4.93 113.62 114.52 1j4a n SER 251 Ca 0.08 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1j4a n SER 251 Cb 0.05 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1j4a n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j4a n GLY 252 N 1.31 0.73 0.07 5.00 0.00 -0.78 -4.95 105.19 106.58 1j4a n GLY 252 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1j4a n GLY 252 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j4a h LYS 253 N 3.78 0.09 -5.56 1.61 1.63 -1.60 -3.42 116.57 113.11 1j4a h LYS 253 Ca 0.00 -0.04 -0.61 0.00 -0.85 0.00 0.00 60.65 59.15 1j4a h LYS 253 Cb 0.00 -0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 31.52 1j4a h LYS 253 CO 0.00 0.51 0.21 0.42 -3.45 0.00 0.00 179.45 177.14 1j4a s ILE 254 N -4.44 4.95 0.28 2.00 1.01 -0.58 -1.27 121.20 123.15 1j4a s ILE 254 Ca -0.15 1.15 0.05 0.00 0.00 0.00 0.00 60.65 61.69 1j4a s ILE 254 Cb 0.03 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.55 1j4a s ILE 254 CO 0.69 -0.03 1.68 0.15 0.00 0.00 0.00 174.94 177.44 1j4a h PHE 255 N 7.93 0.38 -1.02 3.97 3.57 -1.19 -3.40 116.94 127.17 1j4a h PHE 255 Ca -0.26 -0.10 0.38 0.00 3.53 0.00 0.00 57.97 61.51 1j4a h PHE 255 Cb 1.12 -0.08 -0.16 0.00 2.79 0.00 0.00 35.95 39.61 1j4a h PHE 255 CO 0.76 0.67 0.99 0.20 -2.23 0.00 0.00 178.31 178.70 1j4a s GLY 256 N -4.16 -0.40 -0.07 2.40 0.00 -1.24 -4.87 107.32 98.98 1j4a s GLY 256 Ca -0.05 1.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.94 1j4a s GLY 256 CO 0.78 0.34 0.14 -0.47 0.00 0.00 0.00 173.10 173.89 1j4a s TYR 257 N -2.02 -0.14 -0.20 1.90 5.04 -0.71 -2.07 117.35 119.15 1j4a s TYR 257 Ca 0.14 0.50 -0.04 0.00 -2.44 0.00 0.00 57.07 55.22 1j4a s TYR 257 Cb 0.05 -0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.15 1j4a s TYR 257 CO -0.05 -0.21 -0.02 0.00 -1.34 0.00 0.00 175.55 173.94 1j4a s ALA 258 N 1.68 2.97 -0.11 3.97 0.00 -0.11 -1.63 121.76 128.53 1j4a s ALA 258 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1j4a s ALA 258 Cb -0.12 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.31 1j4a s ALA 258 CO -0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 175.76 175.46 1j4a s MET 259 N 1.00 1.68 0.00 0.00 0.23 -0.51 -0.94 119.30 120.76 1j4a s MET 259 Ca 0.01 -0.33 0.21 0.00 -1.03 0.00 0.00 55.69 54.55 1j4a s MET 259 Cb -0.14 -1.65 0.10 0.00 -1.53 0.00 0.00 34.83 31.61 1j4a s MET 259 CO 0.01 -0.22 1.11 -3.47 -2.03 0.00 0.00 175.02 170.43 1j4a n ASP 260 N 4.74 2.45 -4.00 -1.18 2.03 -0.84 -1.31 116.55 118.43 1j4a n ASP 260 Ca -0.15 -1.72 -0.08 0.00 0.52 0.00 0.00 54.79 53.36 1j4a n ASP 260 Cb 0.50 0.18 -0.10 0.00 -0.72 0.00 0.00 41.12 40.99 1j4a n ASP 260 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1j4a s VAL 261 N -1.98 0.17 -0.27 5.18 -7.23 -1.25 -0.55 120.40 114.46 1j4a s VAL 261 Ca 0.22 -1.37 -0.14 0.00 -1.81 0.00 0.00 61.98 58.88 1j4a s VAL 261 Cb 0.17 -1.06 0.09 0.00 0.56 0.00 0.00 36.38 36.15 1j4a s VAL 261 CO 0.36 -0.75 0.65 -0.47 -0.31 0.00 0.00 175.10 174.58 1j4a s TYR 262 N -3.01 -1.09 -1.30 2.82 5.04 -1.26 -4.72 117.35 113.82 1j4a s TYR 262 Ca -0.02 2.11 0.14 0.00 -2.44 0.00 0.00 57.07 56.87 1j4a s TYR 262 Cb 0.01 0.64 0.69 0.00 0.35 0.00 0.00 41.96 43.65 1j4a s TYR 262 CO -0.07 -0.55 1.41 -1.91 -1.34 0.00 0.00 175.55 173.10 1j4a n GLU 263 N 4.60 0.14 -0.65 4.97 2.13 -1.26 -1.33 120.64 129.24 1j4a n GLU 263 Ca -0.18 0.18 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1j4a n GLU 263 Cb 0.56 -1.50 0.33 0.00 0.27 0.00 0.00 31.44 31.10 1j4a n GLU 263 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j4a n GLY 264 N -0.06 3.41 0.20 8.31 0.00 -1.26 -4.69 105.19 111.09 1j4a n GLY 264 Ca 0.06 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.27 1j4a n GLY 264 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1j4a h GLU 265 N 3.01 0.00 -6.52 1.61 -0.00 -1.63 -3.44 114.58 107.62 1j4a h GLU 265 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 59.36 58.82 1j4a h GLU 265 Cb 1.66 0.00 0.04 0.00 -0.00 0.00 0.00 28.75 30.45 1j4a h GLU 265 CO 0.34 0.00 1.06 0.28 -0.00 0.00 0.00 179.01 180.68 1j4a n VAL 266 N -2.78 0.27 -0.96 -1.06 0.31 -1.26 -1.17 118.33 111.69 1j4a n VAL 266 Ca 0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1j4a n VAL 266 Cb 0.40 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 1j4a n VAL 266 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j4a n GLY 267 N 4.10 0.78 0.93 2.92 0.00 -1.26 -4.81 105.19 107.86 1j4a n GLY 267 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1j4a n GLY 267 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j4a n ILE 268 N -2.21 0.80 -1.81 -0.61 2.08 -0.42 -4.90 119.36 112.29 1j4a n ILE 268 Ca 0.00 0.20 -0.40 0.00 0.56 0.00 0.00 62.75 63.11 1j4a n ILE 268 Cb 0.01 -1.61 0.01 0.00 -0.75 0.00 0.00 39.64 37.30 1j4a n ILE 268 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1j4a s PHE 269 N -2.08 2.52 -0.85 1.39 0.40 -0.31 -3.03 117.98 116.02 1j4a s PHE 269 Ca -0.03 1.24 0.00 0.00 -0.60 0.00 0.00 56.93 57.53 1j4a s PHE 269 Cb 0.01 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.59 1j4a s PHE 269 CO 0.05 -2.91 0.00 -1.71 0.70 0.00 0.00 175.22 171.35 1j4a n ASN 270 N 0.06 -3.35 -4.15 1.36 5.15 -1.26 -4.94 115.26 108.13 1j4a n ASN 270 Ca 0.03 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.85 1j4a n ASN 270 Cb 0.41 -2.58 -0.12 0.00 -0.53 0.00 0.00 39.78 36.96 1j4a n ASN 270 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1j4a s GLU 271 N -4.41 0.76 -0.42 1.20 0.41 -1.17 -5.12 118.70 109.94 1j4a s GLU 271 Ca 0.00 -0.92 -0.19 0.00 -0.41 0.00 0.00 54.97 53.45 1j4a s GLU 271 Cb 0.00 -0.71 0.02 0.00 -1.78 0.00 0.00 34.13 31.66 1j4a s GLU 271 CO 0.00 0.15 0.54 0.34 -0.49 0.00 0.00 175.26 175.81 1j4a s ASP 272 N -1.73 6.27 0.00 -0.19 2.15 -1.26 -4.91 116.67 117.00 1j4a s ASP 272 Ca -0.03 -0.46 0.19 0.00 0.43 0.00 0.00 52.55 52.68 1j4a s ASP 272 Cb -0.10 -2.27 0.52 0.00 -0.30 0.00 0.00 42.92 40.76 1j4a s ASP 272 CO 0.02 -0.67 1.43 0.79 -0.17 0.00 0.00 175.17 176.57 1j4a n TRP 273 N 5.94 0.77 -1.68 -5.34 7.02 -1.26 -4.96 117.44 117.93 1j4a n TRP 273 Ca -0.04 -0.47 -0.43 0.00 -1.02 0.00 0.00 57.50 55.54 1j4a n TRP 273 Cb 0.48 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.33 1j4a n TRP 273 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1j4a n GLU 274 N 1.27 2.77 -1.01 -0.99 2.13 -1.26 -1.14 120.64 122.40 1j4a n GLU 274 Ca 0.20 1.01 -0.01 0.00 0.66 0.00 0.00 57.16 59.02 1j4a n GLU 274 Cb 0.56 -2.92 -0.00 0.00 0.27 0.00 0.00 31.44 29.34 1j4a n GLU 274 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j4a n GLY 275 N 4.34 0.47 3.62 8.31 0.00 -1.26 -5.01 105.19 115.66 1j4a n GLY 275 Ca 0.19 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1j4a n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4a s LYS 276 N -0.80 1.95 -0.06 1.61 1.02 -0.29 -5.10 119.74 118.06 1j4a s LYS 276 Ca 0.00 -2.12 -0.30 0.00 0.02 0.00 0.00 55.97 53.57 1j4a s LYS 276 Cb 0.00 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 1j4a s LYS 276 CO 0.00 -0.09 1.24 -2.00 -0.92 0.00 0.00 175.35 173.58 1j4a s GLU 277 N -3.74 4.32 0.05 1.68 2.12 -1.26 -4.99 118.70 116.88 1j4a s GLU 277 Ca 0.32 1.72 -0.30 0.00 0.36 0.00 0.00 54.97 57.07 1j4a s GLU 277 Cb 0.09 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1j4a s GLU 277 CO 0.16 -0.51 1.00 0.12 -0.54 0.00 0.00 175.26 175.50 1j4a s PHE 278 N 2.45 3.68 0.23 5.30 5.36 -1.26 -4.97 117.98 128.78 1j4a s PHE 278 Ca 0.57 1.69 0.25 0.00 -0.96 0.00 0.00 56.93 58.47 1j4a s PHE 278 Cb -0.25 -3.14 1.09 0.00 -0.34 0.00 0.00 43.02 40.38 1j4a s PHE 278 CO 0.21 -0.11 1.90 -1.00 -1.46 0.00 0.00 175.22 174.77 1j4a h PRO 279 N 6.28 0.00 -3.38 10.12 0.13 -1.99 -3.42 132.00 139.74 1j4a h PRO 279 Ca -0.42 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.18 1j4a h PRO 279 Cb 1.22 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 1j4a h PRO 279 CO 0.74 0.20 -0.76 0.34 -0.23 0.00 0.00 178.00 178.29 1j4a s ASP 280 N -6.19 3.31 0.36 1.44 -1.08 -1.26 -5.00 116.67 108.25 1j4a s ASP 280 Ca -0.01 -1.13 0.12 0.00 -0.52 0.00 0.00 52.55 51.02 1j4a s ASP 280 Cb 0.11 -0.61 0.68 0.00 -1.46 0.00 0.00 42.92 41.65 1j4a s ASP 280 CO 0.62 -0.36 1.80 0.00 0.52 0.00 0.00 175.17 177.75 1j4a h ALA 281 N 8.24 1.34 -0.23 3.66 0.00 -1.99 -1.07 119.26 129.20 1j4a h ALA 281 Ca -0.16 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1j4a h ALA 281 Cb 1.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1j4a h ALA 281 CO 0.39 0.50 -0.03 -0.09 0.00 0.00 0.00 179.25 180.02 1j4a h ARG 282 N 0.00 0.43 -0.55 0.00 2.43 -1.99 -1.21 114.38 113.49 1j4a h ARG 282 Ca -0.00 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 1j4a h ARG 282 Cb 0.71 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1j4a h ARG 282 CO 0.05 0.64 0.04 1.25 -1.51 0.00 0.00 179.97 180.44 1j4a h LEU 283 N 0.18 0.92 -1.05 3.80 5.85 -1.93 -1.16 115.31 121.93 1j4a h LEU 283 Ca 0.06 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1j4a h LEU 283 Cb 0.46 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1j4a h LEU 283 CO 0.02 0.98 0.64 0.00 -0.34 0.00 0.00 178.44 179.74 1j4a h ALA 284 N 0.97 1.33 -0.34 1.25 0.00 -1.09 -0.52 119.26 120.86 1j4a h ALA 284 Ca 0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1j4a h ALA 284 Cb 0.48 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1j4a h ALA 284 CO 0.02 0.60 -0.04 0.22 0.00 0.00 0.00 179.25 180.04 1j4a h ASP 285 N 1.28 0.63 -0.77 0.00 3.58 -0.90 -2.54 116.42 117.70 1j4a h ASP 285 Ca 0.37 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1j4a h ASP 285 Cb -0.08 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 40.76 1j4a h ASP 285 CO -0.10 0.82 0.45 -0.07 -2.88 0.00 0.00 179.24 177.46 1j4a h LEU 286 N 0.43 0.95 -0.86 2.28 3.38 -0.67 -1.56 115.31 119.25 1j4a h LEU 286 Ca 0.09 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1j4a h LEU 286 Cb 0.52 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1j4a h LEU 286 CO 0.03 0.75 0.54 0.40 0.09 0.00 0.00 178.44 180.25 1j4a h ILE 287 N 1.06 1.08 -0.01 1.22 2.04 -0.95 -3.03 117.51 118.93 1j4a h ILE 287 Ca 0.27 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1j4a h ILE 287 Cb -0.00 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1j4a h ILE 287 CO -0.05 0.18 -0.20 0.00 0.00 0.00 0.00 178.15 178.08 1j4a n ALA 288 N -2.35 2.96 -1.77 1.87 0.00 -0.64 -4.77 120.51 115.82 1j4a n ALA 288 Ca 0.12 -0.35 -0.39 0.00 0.00 0.00 0.00 53.44 52.82 1j4a n ALA 288 Cb 0.14 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 1j4a n ALA 288 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1j4a s ARG 289 N -2.51 4.16 0.51 0.00 0.52 -0.91 -4.91 118.95 115.81 1j4a s ARG 289 Ca 0.25 1.92 0.27 0.00 -0.52 0.00 0.00 55.73 57.66 1j4a s ARG 289 Cb 0.19 -2.80 1.35 0.00 0.52 0.00 0.00 34.95 34.22 1j4a s ARG 289 CO 0.51 -0.26 2.02 -1.00 0.02 0.00 0.00 175.30 176.59 1j4a h PRO 290 N 2.88 0.00 0.00 3.54 0.13 -1.92 -3.09 132.00 133.55 1j4a h PRO 290 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1j4a h PRO 290 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1j4a h PRO 290 CO 0.63 0.14 -0.43 0.27 -0.23 0.00 0.00 178.00 178.38 1j4a n ASN 291 N -3.56 1.80 -4.12 1.44 6.94 -1.26 -4.13 115.26 112.36 1j4a n ASN 291 Ca -0.01 -3.78 -0.24 0.00 -0.02 0.00 0.00 54.58 50.52 1j4a n ASN 291 Cb 0.28 -0.51 -0.16 0.00 -2.36 0.00 0.00 39.78 37.03 1j4a n ASN 291 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1j4a s VAL 292 N -3.17 1.28 -0.30 3.53 1.01 -1.17 -1.75 120.40 119.84 1j4a s VAL 292 Ca 0.37 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1j4a s VAL 292 Cb 0.36 -1.09 0.08 0.00 0.00 0.00 0.00 36.38 35.73 1j4a s VAL 292 CO -0.06 0.37 -0.02 -0.22 0.00 0.00 0.00 175.10 175.17 1j4a s LEU 293 N -0.12 4.09 -0.18 3.92 2.96 -0.65 -4.72 118.68 123.98 1j4a s LEU 293 Ca 0.01 -1.79 -0.15 0.00 -0.22 0.00 0.00 54.13 51.97 1j4a s LEU 293 Cb -0.09 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1j4a s LEU 293 CO 0.01 -0.29 0.35 -0.69 -1.32 0.00 0.00 176.35 174.40 1j4a s VAL 294 N 1.01 5.25 0.14 1.68 1.01 -1.26 -1.43 120.40 126.80 1j4a s VAL 294 Ca 0.02 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.70 1j4a s VAL 294 Cb -0.19 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1j4a s VAL 294 CO -0.07 0.31 -0.16 0.42 0.00 0.00 0.00 175.10 175.60 1j4a s THR 295 N 0.96 1.54 -1.15 3.92 -4.23 -0.43 -5.02 115.64 111.23 1j4a s THR 295 Ca 0.18 -1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1j4a s THR 295 Cb -0.14 -1.65 0.24 0.00 1.34 0.00 0.00 72.50 72.30 1j4a s THR 295 CO 0.06 -0.35 1.87 -0.81 -0.54 0.00 0.00 174.62 174.86 1j4a n PRO 296 N 0.49 4.68 -3.49 3.99 -0.04 -1.26 -4.11 135.00 135.26 1j4a n PRO 296 Ca -0.15 -4.16 -0.19 0.00 -0.04 0.00 0.00 63.50 58.96 1j4a n PRO 296 Cb 0.57 -2.60 0.07 0.00 -0.04 0.00 0.00 33.50 31.50 1j4a n PRO 296 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j4a n LYS 297 N 1.40 -4.75 -0.17 0.54 4.81 0.29 -4.70 118.16 115.58 1j4a n LYS 297 Ca 0.44 0.76 0.05 0.00 -0.87 0.00 0.00 58.31 58.68 1j4a n LYS 297 Cb 0.29 -5.53 0.14 0.00 0.02 0.00 0.00 35.03 29.96 1j4a n LYS 297 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1j4a n THR 298 N -3.98 1.04 -0.13 3.15 -2.24 -1.26 -4.67 114.28 106.19 1j4a n THR 298 Ca -0.23 -1.03 0.04 0.00 -2.27 0.00 0.00 64.05 60.57 1j4a n THR 298 Cb 0.66 0.48 0.36 0.00 -2.10 0.00 0.00 70.33 69.72 1j4a n THR 298 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j4a h ALA 299 N 1.84 1.66 0.00 6.98 0.00 -1.90 -1.12 119.26 126.72 1j4a h ALA 299 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1j4a h ALA 299 Cb 0.73 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1j4a h ALA 299 CO 0.01 0.28 -0.13 0.27 0.00 0.00 0.00 179.25 179.68 1j4a h PHE 300 N 0.74 0.00 -2.07 0.00 -0.00 -1.84 -3.19 116.94 110.58 1j4a h PHE 300 Ca 0.25 0.00 -0.74 0.00 -0.00 0.00 0.00 57.97 57.48 1j4a h PHE 300 Cb 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 35.95 35.84 1j4a h PHE 300 CO -0.00 0.13 1.44 0.98 -0.00 0.00 0.00 178.31 180.86 1j4a n TYR 301 N -3.27 4.81 -4.26 6.09 9.36 -0.43 -4.66 117.16 124.79 1j4a n TYR 301 Ca 0.00 -3.30 -0.15 0.00 3.32 0.00 0.00 57.90 57.77 1j4a n TYR 301 Cb 0.39 -2.18 -0.10 0.00 -0.63 0.00 0.00 39.34 36.81 1j4a n TYR 301 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1j4a s THR 302 N 1.52 1.26 0.39 2.97 -4.23 -1.26 -5.05 115.64 111.23 1j4a s THR 302 Ca 0.43 -2.08 0.07 0.00 -1.18 0.00 0.00 61.69 58.93 1j4a s THR 302 Cb -0.02 -1.87 0.20 0.00 1.34 0.00 0.00 72.50 72.16 1j4a s THR 302 CO 0.00 -0.72 1.97 0.71 -0.54 0.00 0.00 174.62 176.04 1j4a h THR 303 N 2.76 1.15 -0.30 3.99 1.35 -1.99 -1.07 112.91 118.80 1j4a h THR 303 Ca -0.37 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 64.93 1j4a h THR 303 Cb 1.20 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 1j4a h THR 303 CO 0.63 0.19 0.03 -0.74 -0.25 0.00 0.00 175.52 175.37 1j4a h HIS 304 N 0.43 0.54 0.24 4.73 -0.00 -1.95 -0.84 115.15 118.30 1j4a h HIS 304 Ca 0.10 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1j4a h HIS 304 Cb 0.18 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1j4a h HIS 304 CO 0.01 0.62 -0.12 0.00 -0.00 0.00 0.00 177.93 178.44 1j4a h ALA 305 N 0.86 -0.32 -0.53 5.26 0.00 -1.60 -2.44 119.26 120.48 1j4a h ALA 305 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1j4a h ALA 305 Cb 0.38 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1j4a h ALA 305 CO 0.01 -0.65 0.18 0.28 0.00 0.00 0.00 179.25 179.07 1j4a h VAL 306 N -0.38 1.21 -0.78 0.00 2.07 -1.20 -0.70 116.25 116.47 1j4a h VAL 306 Ca -0.03 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1j4a h VAL 306 Cb 0.29 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1j4a h VAL 306 CO 0.05 0.26 0.38 -0.09 0.02 0.00 0.00 177.57 178.20 1j4a h ARG 307 N 0.77 1.10 -0.13 1.57 2.43 -1.05 -1.86 114.38 117.21 1j4a h ARG 307 Ca 0.18 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 1j4a h ARG 307 Cb 0.20 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1j4a h ARG 307 CO -0.01 0.84 -0.59 -0.91 -1.51 0.00 0.00 179.97 177.79 1j4a h ASN 308 N 1.10 0.49 -0.47 -3.80 2.35 -0.90 -1.40 115.58 112.95 1j4a h ASN 308 Ca 0.27 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1j4a h ASN 308 Cb 0.09 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1j4a h ASN 308 CO -0.04 0.97 0.19 0.24 -1.65 0.00 0.00 177.43 177.15 1j4a h MET 309 N 0.33 0.70 0.26 0.81 2.86 -0.55 -0.69 114.93 118.65 1j4a h MET 309 Ca -0.00 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1j4a h MET 309 Cb 1.12 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1j4a h MET 309 CO 0.10 0.62 -0.12 0.28 1.06 0.00 0.00 176.91 178.85 1j4a h VAL 310 N 0.62 0.72 -0.42 -2.22 2.07 -1.28 -2.32 116.25 113.42 1j4a h VAL 310 Ca 0.16 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1j4a h VAL 310 Cb 0.18 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1j4a h VAL 310 CO -0.01 0.15 0.14 0.58 0.02 0.00 0.00 177.57 178.45 1j4a h VAL 311 N -0.82 1.21 -0.32 2.57 2.07 -1.30 -1.51 116.25 118.16 1j4a h VAL 311 Ca -0.04 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1j4a h VAL 311 Cb 0.51 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1j4a h VAL 311 CO 0.06 0.24 -0.15 0.11 0.02 0.00 0.00 177.57 177.85 1j4a h LYS 312 N 0.53 0.56 -0.13 1.57 1.57 -1.24 0.19 116.57 119.62 1j4a h LYS 312 Ca 0.14 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1j4a h LYS 312 Cb 0.24 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1j4a h LYS 312 CO -0.01 0.69 -0.02 0.00 -0.57 0.00 0.00 179.45 179.55 1j4a h ALA 313 N 1.33 0.18 -0.73 3.86 0.00 -1.12 -1.12 119.26 121.67 1j4a h ALA 313 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1j4a h ALA 313 Cb 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1j4a h ALA 313 CO 0.04 -0.10 0.25 0.74 0.00 0.00 0.00 179.25 180.17 1j4a h PHE 314 N -0.05 1.14 -0.65 0.00 -1.00 -1.10 -0.51 116.94 114.78 1j4a h PHE 314 Ca 0.04 -0.10 -0.04 0.00 2.81 0.00 0.00 57.97 60.67 1j4a h PHE 314 Cb 0.41 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 1j4a h PHE 314 CO 0.04 0.89 0.23 -0.44 -1.61 0.00 0.00 178.31 177.42 1j4a h ASP 315 N 1.07 0.89 -0.24 2.17 5.19 -0.54 -1.38 116.42 123.58 1j4a h ASP 315 Ca 0.24 -0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 56.42 1j4a h ASP 315 Cb 0.27 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1j4a h ASP 315 CO -0.01 0.81 -0.22 0.78 -3.12 0.00 0.00 179.24 177.49 1j4a h ASN 316 N 0.94 0.61 -0.27 6.45 2.35 -0.83 -2.55 115.58 122.29 1j4a h ASN 316 Ca 0.22 -0.46 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1j4a h ASN 316 Cb 0.22 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1j4a h ASN 316 CO -0.01 0.95 0.16 0.78 -1.65 0.00 0.00 177.43 177.65 1j4a h ASN 317 N 0.29 0.34 -0.73 5.81 2.35 -0.76 -1.82 115.58 121.05 1j4a h ASN 317 Ca 0.04 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1j4a h ASN 317 Cb 0.76 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.00 1j4a h ASN 317 CO 0.06 0.31 0.48 0.25 -1.65 0.00 0.00 177.43 176.88 1j4a h LEU 318 N 0.33 0.72 -1.10 1.61 5.85 -1.29 0.34 115.31 121.77 1j4a h LEU 318 Ca 0.10 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1j4a h LEU 318 Cb 0.04 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1j4a h LEU 318 CO -0.02 0.48 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.17 1j4a h GLU 319 N 0.82 0.56 0.36 1.25 5.08 -1.04 -0.26 114.58 121.35 1j4a h GLU 319 Ca 0.31 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1j4a h GLU 319 Cb 0.16 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1j4a h GLU 319 CO -0.10 0.63 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.30 1j4a h LEU 320 N 0.52 -0.41 -0.80 1.33 3.38 0.46 0.10 115.31 119.89 1j4a h LEU 320 Ca 0.10 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1j4a h LEU 320 Cb 0.44 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1j4a h LEU 320 CO 0.02 -0.05 0.47 0.58 0.09 0.00 0.00 178.44 179.56 1j4a h VAL 321 N -0.83 0.96 -0.00 1.22 2.07 -1.14 -1.91 116.25 116.62 1j4a h VAL 321 Ca -0.05 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1j4a h VAL 321 Cb 0.53 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1j4a h VAL 321 CO 0.08 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.20 1j4a n GLU 322 N -4.71 1.05 -1.03 1.57 1.02 -0.11 -4.87 120.64 113.55 1j4a n GLU 322 Ca 0.12 -0.07 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1j4a n GLU 322 Cb 0.22 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1j4a n GLU 322 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j4a n GLY 323 N 0.94 0.42 3.91 0.62 0.00 -0.72 -5.01 105.19 105.35 1j4a n GLY 323 Ca 0.20 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1j4a n GLY 323 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4a s LYS 324 N -0.98 3.61 0.17 1.61 1.02 0.33 -5.01 119.74 120.48 1j4a s LYS 324 Ca 0.00 -0.10 -0.32 0.00 0.02 0.00 0.00 55.97 55.57 1j4a s LYS 324 Cb 0.00 -2.75 -0.11 0.00 -0.52 0.00 0.00 37.83 34.45 1j4a s LYS 324 CO 0.00 0.33 1.75 -2.00 -0.92 0.00 0.00 175.35 174.51 1j4a s GLU 325 N -3.23 4.14 0.32 1.68 2.12 -1.26 -4.11 118.70 118.35 1j4a s GLU 325 Ca 0.42 2.58 -0.28 0.00 0.36 0.00 0.00 54.97 58.04 1j4a s GLU 325 Cb -0.11 -3.30 -0.10 0.00 0.26 0.00 0.00 34.13 30.89 1j4a s GLU 325 CO 0.28 -0.78 1.15 0.00 -0.54 0.00 0.00 175.26 175.37 1j4a s ALA 326 N 1.82 3.37 0.16 6.30 0.00 -1.26 -4.93 121.76 127.22 1j4a s ALA 326 Ca 0.77 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.59 1j4a s ALA 326 Cb -0.48 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.32 1j4a s ALA 326 CO 0.34 -0.32 1.62 0.93 0.00 0.00 0.00 175.76 178.33 1j4a h GLU 327 N 3.46 0.96 -2.01 0.00 5.08 -1.90 -3.38 114.58 116.80 1j4a h GLU 327 Ca -0.48 -0.30 -0.56 0.00 -1.00 0.00 0.00 59.36 57.03 1j4a h GLU 327 Cb 1.22 -0.09 -0.39 0.00 0.50 0.00 0.00 28.75 29.99 1j4a h GLU 327 CO 0.66 0.96 -1.08 0.25 -1.00 0.00 0.00 179.01 178.79 1j4a n THR 328 N -4.28 -0.55 -1.44 1.13 -2.24 -1.26 -5.11 114.28 100.53 1j4a n THR 328 Ca 0.02 -4.07 -0.30 0.00 -2.27 0.00 0.00 64.05 57.42 1j4a n THR 328 Cb 0.32 -1.96 0.09 0.00 -2.10 0.00 0.00 70.33 66.68 1j4a n THR 328 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1j4a s PRO 329 N -1.25 2.09 -0.04 -0.78 0.04 -1.26 -2.03 135.00 131.78 1j4a s PRO 329 Ca 0.35 0.81 0.07 0.00 0.04 0.00 0.00 61.00 62.27 1j4a s PRO 329 Cb 0.17 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 1j4a s PRO 329 CO -0.11 -1.66 -0.23 0.08 0.04 0.00 0.00 177.00 175.13 1j4a s VAL 330 N -3.05 2.30 0.02 -0.36 1.01 0.48 -4.79 120.40 116.00 1j4a s VAL 330 Ca 0.61 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1j4a s VAL 330 Cb -0.15 -1.83 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 1j4a s VAL 330 CO 0.55 0.58 1.70 -0.75 0.00 0.00 0.00 175.10 177.18 1j4a s LYS 331 N -0.54 4.18 -0.44 2.72 2.20 -1.26 -4.52 119.74 122.09 1j4a s LYS 331 Ca 0.08 2.32 -0.15 0.00 -0.36 0.00 0.00 55.97 57.85 1j4a s LYS 331 Cb -0.11 -3.84 0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1j4a s LYS 331 CO 0.00 -0.81 0.35 0.08 -0.36 0.00 0.00 175.35 174.61 1j4a s VAL 332 N 3.46 5.24 0.00 4.02 1.01 -1.26 -5.09 120.40 127.78 1j4a s VAL 332 Ca 0.76 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1j4a s VAL 332 Cb -0.38 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1j4a s VAL 332 CO 0.33 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.61