#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 0.82 -0.09 -2.82 2.20 -1.26 -0.52 119.74 118.08 1j4a s LYS 3 Ca 0.00 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.29 1j4a s LYS 3 Cb 0.00 -0.79 0.01 0.00 -1.51 0.00 0.00 37.83 35.54 1j4a s LYS 3 CO 0.00 0.19 -0.15 0.42 -0.36 0.00 0.00 175.35 175.45 1j4a s ILE 4 N -0.15 1.40 -0.19 5.43 1.01 -0.31 -0.24 121.20 128.15 1j4a s ILE 4 Ca 0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1j4a s ILE 4 Cb -0.05 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1j4a s ILE 4 CO -0.00 0.42 0.04 0.12 0.00 0.00 0.00 174.94 175.51 1j4a s PHE 5 N 0.73 3.15 -0.01 3.97 5.36 -0.97 -2.35 117.98 127.87 1j4a s PHE 5 Ca -0.12 -0.14 0.01 0.00 -0.96 0.00 0.00 56.93 55.72 1j4a s PHE 5 Cb -0.16 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.40 1j4a s PHE 5 CO 0.03 -0.01 0.01 0.00 -1.46 0.00 0.00 175.22 173.79 1j4a s ALA 6 N 0.65 3.32 0.25 11.12 0.00 -0.30 -1.96 121.76 134.85 1j4a s ALA 6 Ca 0.02 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1j4a s ALA 6 Cb -0.13 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1j4a s ALA 6 CO 0.02 0.65 0.07 0.71 0.00 0.00 0.00 175.76 177.21 1j4a s TYR 7 N -1.08 2.87 -1.37 0.00 1.51 -0.09 -1.50 117.35 117.69 1j4a s TYR 7 Ca 0.19 -0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1j4a s TYR 7 Cb -0.12 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1j4a s TYR 7 CO 0.10 0.57 0.29 0.00 -1.11 0.00 0.00 175.55 175.41 1j4a n ALA 8 N -0.92 -0.88 -2.24 3.71 0.00 0.18 -4.35 120.51 116.00 1j4a n ALA 8 Ca -0.07 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1j4a n ALA 8 Cb 0.58 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 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 -2.92 3.65 0.28 0.00 -1.09 -0.80 -4.94 121.20 115.38 1j4a s ILE 9 Ca 0.19 1.11 -0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1j4a s ILE 9 Cb -0.09 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1j4a s ILE 9 CO 0.23 0.04 0.48 -0.13 -1.23 0.00 0.00 174.94 174.33 1j4a s ARG 10 N 1.76 3.51 0.26 2.79 0.52 -1.26 -4.38 118.95 122.14 1j4a s ARG 10 Ca 0.63 -0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 55.48 1j4a s ARG 10 Cb -0.33 -2.74 0.51 0.00 0.52 0.00 0.00 34.95 32.92 1j4a s ARG 10 CO 0.28 0.26 1.74 0.93 0.02 0.00 0.00 175.30 178.53 1j4a h GLU 11 N 1.29 0.49 0.00 3.54 4.39 -2.02 0.56 114.58 122.83 1j4a h GLU 11 Ca -0.49 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1j4a h GLU 11 Cb 1.21 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1j4a h GLU 11 CO 0.64 0.32 0.00 0.38 -1.16 0.00 0.00 179.01 179.19 1j4a h ASP 12 N 0.50 0.00 0.70 1.42 2.03 -2.02 -2.23 116.42 116.82 1j4a h ASP 12 Ca 0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.75 1j4a h ASP 12 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1j4a h ASP 12 CO -0.40 0.00 -0.85 -0.62 -1.03 0.00 0.00 179.24 176.33 1j4a n GLU 13 N -2.62 0.34 -0.22 4.15 1.02 0.17 -4.40 120.64 119.07 1j4a n GLU 13 Ca 0.01 0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.17 1j4a n GLU 13 Cb 0.23 -1.66 0.08 0.00 -0.02 0.00 0.00 31.44 30.07 1j4a n GLU 13 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1j4a h LYS 14 N 0.00 0.63 -0.74 3.49 1.57 -1.11 -2.02 116.57 118.39 1j4a h LYS 14 Ca 0.00 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1j4a h LYS 14 Cb 0.77 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 1j4a h LYS 14 CO 0.00 0.42 0.49 -1.35 -0.57 0.00 0.00 179.45 178.44 1j4a h PRO 15 N 0.65 0.75 0.10 3.15 0.11 -1.77 -1.28 132.00 133.71 1j4a h PRO 15 Ca 0.28 -0.05 -0.27 0.00 0.11 0.00 0.00 66.00 66.08 1j4a h PRO 15 Cb 0.16 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.11 1j4a h PRO 15 CO -0.17 0.50 -1.17 0.74 -0.21 0.00 0.00 178.00 177.69 1j4a h PHE 16 N 0.77 0.58 -0.52 0.65 0.04 -1.66 -2.03 116.94 114.78 1j4a h PHE 16 Ca 0.32 -0.39 0.05 0.00 2.80 0.00 0.00 57.97 60.75 1j4a h PHE 16 Cb 0.27 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.33 1j4a h PHE 16 CO -0.00 1.27 0.24 -0.07 -0.60 0.00 0.00 178.31 179.15 1j4a h LEU 17 N 0.13 0.33 -0.35 1.54 3.38 -1.03 -0.90 115.31 118.42 1j4a h LEU 17 Ca -0.13 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1j4a h LEU 17 Cb 1.87 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 1j4a h LEU 17 CO 0.20 0.23 0.21 0.11 0.09 0.00 0.00 178.44 179.28 1j4a h LYS 18 N 0.47 0.47 -0.72 1.13 1.57 -1.21 0.56 116.57 118.85 1j4a h LYS 18 Ca 0.23 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1j4a h LYS 18 Cb 0.17 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 1j4a h LYS 18 CO -0.18 0.36 0.45 1.49 -0.57 0.00 0.00 179.45 180.99 1j4a h GLU 19 N 0.46 0.84 -0.49 3.15 4.81 -1.01 0.18 114.58 122.52 1j4a h GLU 19 Ca 0.13 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1j4a h GLU 19 Cb 0.00 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1j4a h GLU 19 CO -0.02 0.56 0.03 2.35 -0.73 0.00 0.00 179.01 181.19 1j4a h TRP 20 N 0.87 0.91 0.28 0.92 7.01 -0.56 -2.71 115.95 122.67 1j4a h TRP 20 Ca 0.30 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 1j4a h TRP 20 Cb 0.05 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 1j4a h TRP 20 CO -0.04 0.85 -0.25 0.93 -2.79 0.00 0.00 178.44 177.14 1j4a h GLU 21 N 0.70 -0.53 -0.49 2.65 5.08 -0.27 -1.65 114.58 120.08 1j4a h GLU 21 Ca 0.14 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.68 1j4a h GLU 21 Cb 0.47 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1j4a h GLU 21 CO 0.02 -0.35 0.48 -0.44 -1.00 0.00 0.00 179.01 177.72 1j4a h ASP 22 N -0.55 0.00 0.44 1.42 3.32 -0.58 0.14 116.42 120.62 1j4a h ASP 22 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1j4a h ASP 22 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1j4a h ASP 22 CO -0.04 0.00 -0.58 0.00 -1.72 0.00 0.00 179.24 176.91 1j4a n ALA 23 N -2.40 3.70 -2.93 3.45 0.00 -0.71 -4.37 120.51 117.25 1j4a n ALA 23 Ca 0.09 -0.38 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 1j4a n ALA 23 Cb 0.68 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.52 1.49 0.25 0.00 8.25 0.48 -4.95 115.22 119.21 1j4a n HIS 24 Ca 0.05 -3.50 0.18 0.00 -0.26 0.00 0.00 57.72 54.19 1j4a n HIS 24 Cb 0.34 -0.39 0.89 0.00 1.12 0.00 0.00 29.99 31.96 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 2.95 0.00 0.00 -0.41 1.57 -1.70 0.85 116.57 119.83 1j4a h LYS 25 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1j4a h LYS 25 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1j4a h LYS 25 CO 0.60 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.08 1j4a n ASP 26 N -3.45 0.00 -4.41 0.86 5.75 -1.26 -4.76 116.55 109.28 1j4a n ASP 26 Ca 0.00 -0.82 -0.33 0.00 -0.01 0.00 0.00 54.79 53.64 1j4a n ASP 26 Cb 0.31 -0.03 -0.14 0.00 -1.03 0.00 0.00 41.12 40.23 1j4a n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1j4a s VAL 27 N -2.07 3.02 -0.06 2.12 1.01 0.29 -4.43 120.40 120.29 1j4a s VAL 27 Ca 0.42 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 1j4a s VAL 27 Cb 0.20 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1j4a s VAL 27 CO 0.35 0.55 0.68 -0.70 0.00 0.00 0.00 175.10 175.99 1j4a s GLU 28 N -0.13 4.43 -0.12 2.72 2.12 0.32 -4.99 118.70 123.06 1j4a s GLU 28 Ca -0.01 0.85 0.02 0.00 0.36 0.00 0.00 54.97 56.19 1j4a s GLU 28 Cb -0.14 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.83 1j4a s GLU 28 CO 0.03 0.09 -0.17 0.08 -0.54 0.00 0.00 175.26 174.76 1j4a s VAL 29 N 0.71 1.65 0.21 3.70 1.01 -1.26 -1.16 120.40 125.27 1j4a s VAL 29 Ca 0.37 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1j4a s VAL 29 Cb -0.18 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1j4a s VAL 29 CO 0.18 0.47 -0.14 -1.61 0.00 0.00 0.00 175.10 174.00 1j4a s GLU 30 N 1.00 1.35 0.28 2.72 0.41 -0.99 -5.01 118.70 118.46 1j4a s GLU 30 Ca -0.05 -1.61 -0.17 0.00 -0.41 0.00 0.00 54.97 52.73 1j4a s GLU 30 Cb -0.15 -1.15 0.01 0.00 -1.78 0.00 0.00 34.13 31.07 1j4a s GLU 30 CO -0.03 0.18 0.62 1.52 -0.49 0.00 0.00 175.26 177.07 1j4a s TYR 31 N -2.96 0.08 0.19 1.61 1.13 -1.26 -1.15 117.35 115.00 1j4a s TYR 31 Ca 0.23 -0.51 0.02 0.00 -1.41 0.00 0.00 57.07 55.40 1j4a s TYR 31 Cb -0.01 0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 41.30 1j4a s TYR 31 CO 0.07 -1.17 0.01 -0.08 -2.51 0.00 0.00 175.55 171.88 1j4a s THR 32 N -3.81 0.68 -0.85 -3.49 -1.32 -0.56 -4.94 115.64 101.34 1j4a s THR 32 Ca 0.16 -1.99 0.24 0.00 -1.21 0.00 0.00 61.69 58.89 1j4a s THR 32 Cb -0.04 -2.21 -0.07 0.00 -1.51 0.00 0.00 72.50 68.68 1j4a s THR 32 CO 0.09 -0.40 1.20 -0.90 -2.21 0.00 0.00 174.62 172.40 1j4a n ASP 33 N -0.28 0.64 -4.78 8.08 3.85 -1.26 -1.91 116.55 120.88 1j4a n ASP 33 Ca -0.05 -0.34 -0.32 0.00 -0.71 0.00 0.00 54.79 53.37 1j4a n ASP 33 Cb 0.64 0.54 0.06 0.00 -1.35 0.00 0.00 41.12 41.00 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 -3.07 2.70 0.78 0.11 1.02 -1.26 -3.94 119.74 116.07 1j4a s LYS 34 Ca 0.08 1.26 -0.11 0.00 0.02 0.00 0.00 55.97 57.21 1j4a s LYS 34 Cb 0.16 -1.95 0.06 0.00 -0.52 0.00 0.00 37.83 35.58 1j4a s LYS 34 CO 0.76 -1.31 1.09 -0.51 -0.92 0.00 0.00 175.35 174.46 1j4a s LEU 35 N -5.22 2.69 -0.35 3.17 1.43 -1.26 -0.65 118.68 118.49 1j4a s LEU 35 Ca 0.64 1.32 -0.24 0.00 -1.03 0.00 0.00 54.13 54.82 1j4a s LEU 35 Cb -0.18 -3.98 0.01 0.00 0.03 0.00 0.00 46.19 42.07 1j4a s LEU 35 CO 0.47 -1.84 0.80 -0.22 0.23 0.00 0.00 176.35 175.78 1j4a s LEU 36 N -5.71 4.10 0.40 1.79 2.96 -1.26 -4.77 118.68 116.20 1j4a s LEU 36 Ca 0.60 0.48 0.04 0.00 -0.22 0.00 0.00 54.13 55.03 1j4a s LEU 36 Cb -0.14 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 1j4a s LEU 36 CO 0.54 -0.71 0.14 0.42 -1.32 0.00 0.00 176.35 175.43 1j4a s THR 37 N 3.09 0.54 0.43 3.68 -4.23 -1.26 -4.96 115.64 112.93 1j4a s THR 37 Ca 0.32 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.05 1j4a s THR 37 Cb -0.13 -2.36 0.24 0.00 1.34 0.00 0.00 72.50 71.59 1j4a s THR 37 CO 0.16 0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 175.62 1j4a h PRO 38 N 1.82 0.00 0.00 3.99 0.11 -1.88 -1.74 132.00 134.30 1j4a h PRO 38 Ca -0.34 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 1j4a h PRO 38 Cb 1.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1j4a h PRO 38 CO 0.55 0.15 -1.03 0.93 -0.21 0.00 0.00 178.00 178.39 1j4a h GLU 39 N 0.00 0.00 -0.01 1.05 3.07 -1.97 -3.33 114.58 113.39 1j4a h GLU 39 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1j4a h GLU 39 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1j4a h GLU 39 CO 0.02 0.68 -0.49 0.25 -1.40 0.00 0.00 179.01 178.07 1j4a n THR 40 N -3.20 0.00 0.04 1.13 -2.24 -0.96 -4.29 114.28 104.76 1j4a n THR 40 Ca -0.04 -0.17 0.16 0.00 -2.27 0.00 0.00 64.05 61.73 1j4a n THR 40 Cb 0.89 0.91 0.64 0.00 -2.10 0.00 0.00 70.33 70.66 1j4a n THR 40 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1j4a h VAL 41 N 1.58 0.83 0.00 2.28 2.07 -1.44 -2.12 116.25 119.45 1j4a h VAL 41 Ca 0.00 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1j4a h VAL 41 Cb 0.63 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1j4a h VAL 41 CO 0.00 0.02 -0.13 0.00 0.02 0.00 0.00 177.57 177.48 1j4a h ALA 42 N 1.79 1.21 -0.00 1.67 0.00 -1.83 -0.95 119.26 121.15 1j4a h ALA 42 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1j4a h ALA 42 Cb 0.68 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1j4a h ALA 42 CO -0.02 0.16 0.01 -0.07 0.00 0.00 0.00 179.25 179.33 1j4a h LEU 43 N 0.00 0.00 0.00 0.00 3.38 -1.69 0.12 115.31 117.12 1j4a h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j4a h LEU 43 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1j4a h LEU 43 CO 0.02 0.00 -0.54 0.00 0.09 0.00 0.00 178.44 178.01 1j4a h ALA 44 N 1.99 0.70 -1.34 1.53 0.00 -1.34 -3.47 119.26 117.32 1j4a h ALA 44 Ca 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 54.91 54.13 1j4a h ALA 44 Cb 0.01 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1j4a h ALA 44 CO -0.00 0.00 0.73 1.17 0.00 0.00 0.00 179.25 181.15 1j4a n LYS 45 N -2.55 0.69 0.00 0.00 4.81 0.42 0.20 118.16 121.73 1j4a n LYS 45 Ca 0.03 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1j4a n LYS 45 Cb 0.50 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.69 1j4a n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j4a n GLY 46 N 3.77 1.55 3.87 3.14 0.00 -1.26 -5.07 105.19 111.19 1j4a n GLY 46 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.36 3.31 -0.42 4.61 0.00 0.13 -4.79 121.76 122.24 1j4a s ALA 47 Ca 0.00 -0.14 0.23 0.00 0.00 0.00 0.00 51.96 52.05 1j4a s ALA 47 Cb 0.00 -2.76 0.25 0.00 0.00 0.00 0.00 23.12 20.60 1j4a s ALA 47 CO 0.00 -0.03 1.35 -0.44 0.00 0.00 0.00 175.76 176.64 1j4a h ASP 48 N 1.24 0.00 -4.97 0.00 5.19 -0.93 -3.43 116.42 113.52 1j4a h ASP 48 Ca -0.47 -0.04 0.22 0.00 -0.62 0.00 0.00 57.03 56.13 1j4a h ASP 48 Cb 1.19 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.56 1j4a h ASP 48 CO 0.63 0.02 0.67 -0.83 -3.12 0.00 0.00 179.24 176.62 1j4a s GLY 49 N -4.12 -0.35 0.13 2.75 0.00 -1.22 -4.49 107.32 100.01 1j4a s GLY 49 Ca 0.04 0.91 0.09 0.00 0.00 0.00 0.00 44.72 45.77 1j4a s GLY 49 CO 0.72 0.27 -0.23 -1.34 0.00 0.00 0.00 173.10 172.52 1j4a s VAL 50 N -2.77 1.95 -0.19 1.40 -7.23 -0.13 -2.29 120.40 111.14 1j4a s VAL 50 Ca 0.10 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1j4a s VAL 50 Cb 0.00 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 1j4a s VAL 50 CO -0.04 -0.06 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.91 1j4a s VAL 51 N -1.31 3.09 0.29 1.32 1.01 -0.83 -0.56 120.40 123.42 1j4a s VAL 51 Ca 0.11 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1j4a s VAL 51 Cb -0.09 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 1j4a s VAL 51 CO 0.06 0.47 0.07 0.68 0.00 0.00 0.00 175.10 176.38 1j4a s VAL 52 N 1.15 0.89 -0.30 2.92 -7.23 -0.36 -0.91 120.40 116.56 1j4a s VAL 52 Ca 0.01 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.04 1j4a s VAL 52 Cb -0.14 -2.69 0.18 0.00 0.56 0.00 0.00 36.38 34.28 1j4a s VAL 52 CO -0.03 -0.02 1.07 -0.47 -0.31 0.00 0.00 175.10 175.34 1j4a s TYR 53 N -3.52 -0.49 -0.08 2.82 5.04 -1.26 -0.52 117.35 119.34 1j4a s TYR 53 Ca 0.37 0.58 -0.30 0.00 -2.44 0.00 0.00 57.07 55.27 1j4a s TYR 53 Cb 0.08 0.19 0.12 0.00 0.35 0.00 0.00 41.96 42.70 1j4a s TYR 53 CO 0.14 -0.27 0.98 1.14 -1.34 0.00 0.00 175.55 176.21 1j4a s GLN 54 N 2.84 0.66 -0.02 4.97 -2.07 -1.26 -4.74 119.66 120.04 1j4a s GLN 54 Ca -0.02 -0.16 0.05 0.00 -1.82 0.00 0.00 55.36 53.41 1j4a s GLN 54 Cb -0.09 0.31 -0.25 0.00 -1.09 0.00 0.00 33.01 31.89 1j4a s GLN 54 CO -0.12 -0.27 0.76 1.96 -1.32 0.00 0.00 175.29 176.30 1j4a h GLN 55 N 2.13 0.11 -6.14 9.60 1.08 -2.01 -3.46 115.11 116.42 1j4a h GLN 55 Ca -0.19 -0.18 -0.72 0.00 -1.45 0.00 0.00 58.65 56.11 1j4a h GLN 55 Cb 1.21 0.07 0.01 0.00 -0.05 0.00 0.00 27.48 28.72 1j4a h GLN 55 CO 0.29 0.84 0.98 -0.11 -0.95 0.00 0.00 178.83 179.89 1j4a n LEU 56 N -3.26 2.43 -4.62 1.46 0.00 -1.26 -4.82 117.00 106.93 1j4a n LEU 56 Ca -0.17 1.00 -0.43 0.00 0.00 0.00 0.00 56.01 56.41 1j4a n LEU 56 Cb 1.03 -1.17 -0.01 0.00 0.00 0.00 0.00 43.42 43.28 1j4a n LEU 56 CO 0.46 -0.42 0.64 0.47 0.00 0.00 0.00 177.39 178.55 1j4a n ASP 57 N 5.98 1.61 -4.40 1.96 8.00 -1.26 -4.89 116.55 123.55 1j4a n ASP 57 Ca 0.28 1.15 -0.43 0.00 0.71 0.00 0.00 54.79 56.50 1j4a n ASP 57 Cb 0.15 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 39.90 1j4a n ASP 57 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1j4a n TYR 58 N 0.09 4.58 -1.14 1.24 4.02 0.12 -4.98 117.16 121.09 1j4a n TYR 58 Ca 0.08 -3.10 -0.29 0.00 -0.01 0.00 0.00 57.90 54.59 1j4a n TYR 58 Cb 0.34 -2.35 0.17 0.00 -0.02 0.00 0.00 39.34 37.48 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 2.50 2.23 0.11 -0.72 -4.36 -1.26 -1.87 121.20 117.83 1j4a s ILE 59 Ca 0.47 0.07 -0.21 0.00 -0.26 0.00 0.00 60.65 60.72 1j4a s ILE 59 Cb 0.02 -2.54 -0.09 0.00 1.25 0.00 0.00 42.46 41.10 1j4a s ILE 59 CO 0.02 -0.10 1.73 0.00 0.24 0.00 0.00 174.94 176.84 1j4a h ALA 60 N -1.84 0.09 -0.49 2.27 0.00 -1.94 0.34 119.26 117.68 1j4a h ALA 60 Ca -0.53 0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.50 1j4a h ALA 60 Cb 1.32 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1j4a h ALA 60 CO 0.56 -0.46 -0.01 1.49 0.00 0.00 0.00 179.25 180.83 1j4a h GLU 61 N 0.03 0.10 -0.55 0.00 4.81 -1.98 0.53 114.58 117.52 1j4a h GLU 61 Ca 0.05 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1j4a h GLU 61 Cb 0.06 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1j4a h GLU 61 CO -0.08 0.06 0.13 1.15 -0.73 0.00 0.00 179.01 179.54 1j4a h THR 62 N 0.10 1.25 -0.26 0.32 2.02 -1.67 0.21 112.91 114.88 1j4a h THR 62 Ca 0.25 -0.89 -0.08 0.00 0.77 0.00 0.00 66.41 66.46 1j4a h THR 62 Cb 0.38 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1j4a h THR 62 CO -0.42 0.33 -0.20 -0.07 0.37 0.00 0.00 175.52 175.52 1j4a h LEU 63 N 0.78 0.46 -0.64 2.58 3.38 0.38 -1.29 115.31 120.96 1j4a h LEU 63 Ca 0.17 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1j4a h LEU 63 Cb 0.35 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1j4a h LEU 63 CO 0.00 0.67 -0.21 -0.61 0.09 0.00 0.00 178.44 178.38 1j4a h GLN 64 N 0.42 0.84 -0.65 1.13 5.75 0.52 -0.20 115.11 122.92 1j4a h GLN 64 Ca 0.07 -0.34 -0.07 0.00 -0.15 0.00 0.00 58.65 58.16 1j4a h GLN 64 Cb 0.59 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 1j4a h GLN 64 CO 0.04 0.98 0.15 0.00 -2.65 0.00 0.00 178.83 177.35 1j4a h ALA 65 N 1.02 0.86 0.06 3.38 0.00 -0.08 0.15 119.26 124.64 1j4a h ALA 65 Ca 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1j4a h ALA 65 Cb 0.75 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1j4a h ALA 65 CO 0.06 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.80 1j4a h LEU 66 N 0.97 -0.06 -0.60 0.00 3.38 -1.09 -2.18 115.31 115.73 1j4a h LEU 66 Ca 0.20 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.05 1j4a h LEU 66 Cb 0.38 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1j4a h LEU 66 CO 0.00 0.19 0.19 0.00 0.09 0.00 0.00 178.44 178.92 1j4a h ALA 67 N 0.61 0.75 0.00 1.53 0.00 -0.76 0.64 119.26 122.03 1j4a h ALA 67 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1j4a h ALA 67 Cb 0.29 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1j4a h ALA 67 CO 0.01 -0.23 0.00 -0.44 0.00 0.00 0.00 179.25 178.59 1j4a h ASP 68 N 0.36 0.00 -0.44 0.00 3.32 -0.48 -0.04 116.42 119.14 1j4a h ASP 68 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1j4a h ASP 68 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1j4a h ASP 68 CO -0.33 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.78 1j4a n ASN 69 N -2.98 4.29 -0.04 6.45 3.02 -0.18 -4.95 115.26 120.87 1j4a n ASN 69 Ca -0.03 -2.67 -0.00 0.00 -0.03 0.00 0.00 54.58 51.85 1j4a n ASN 69 Cb 0.07 -0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 38.72 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 0.32 0.41 3.39 7.41 0.00 -0.03 -4.15 105.19 112.54 1j4a n GLY 70 Ca 0.22 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.02 3.77 -0.00 -0.61 -1.09 0.04 -4.86 121.20 116.44 1j4a s ILE 71 Ca 0.00 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1j4a s ILE 71 Cb 0.00 -2.72 0.01 0.00 -1.58 0.00 0.00 42.46 38.17 1j4a s ILE 71 CO 0.00 0.41 0.68 1.07 -1.23 0.00 0.00 174.94 175.87 1j4a n THR 72 N 4.61 0.32 -3.93 2.92 5.66 -1.26 -3.21 114.28 119.39 1j4a n THR 72 Ca -0.17 -0.33 -0.30 0.00 -3.05 0.00 0.00 64.05 60.19 1j4a n THR 72 Cb 0.51 0.80 -0.15 0.00 -1.55 0.00 0.00 70.33 69.94 1j4a n THR 72 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1j4a s LYS 73 N -0.35 1.54 -0.14 1.09 1.02 -1.26 -1.65 119.74 120.00 1j4a s LYS 73 Ca 0.01 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 54.87 1j4a s LYS 73 Cb 0.01 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.72 1j4a s LYS 73 CO 0.00 -0.68 -0.12 1.41 -0.92 0.00 0.00 175.35 175.05 1j4a s MET 74 N 1.34 2.02 -0.27 1.68 1.75 -0.67 -0.96 119.30 124.20 1j4a s MET 74 Ca -0.02 -0.45 0.01 0.00 -1.25 0.00 0.00 55.69 53.97 1j4a s MET 74 Cb -0.19 -1.91 0.05 0.00 2.84 0.00 0.00 34.83 35.62 1j4a s MET 74 CO -0.08 -0.24 -0.07 -1.12 -0.65 0.00 0.00 175.02 172.85 1j4a s SER 75 N 1.56 4.47 0.38 1.11 0.01 0.28 -1.76 113.70 119.75 1j4a s SER 75 Ca 0.05 -1.22 -0.24 0.00 1.31 0.00 0.00 55.95 55.85 1j4a s SER 75 Cb -0.13 -1.62 -0.09 0.00 0.21 0.00 0.00 66.02 64.39 1j4a s SER 75 CO -0.10 -0.19 1.02 -0.76 0.41 0.00 0.00 173.24 173.63 1j4a s LEU 76 N 1.20 4.18 0.14 2.44 1.02 -0.07 -1.23 118.68 126.37 1j4a s LEU 76 Ca -0.05 1.98 0.24 0.00 0.02 0.00 0.00 54.13 56.31 1j4a s LEU 76 Cb -0.19 -4.16 0.22 0.00 0.02 0.00 0.00 46.19 42.08 1j4a s LEU 76 CO -0.04 -0.38 1.22 0.03 0.02 0.00 0.00 176.35 177.20 1j4a h ARG 77 N 2.64 0.00 0.00 1.70 3.08 -1.06 -3.28 114.38 117.45 1j4a h ARG 77 Ca -0.48 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.51 1j4a h ARG 77 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1j4a h ARG 77 CO 0.63 0.00 -0.03 0.27 -1.07 0.00 0.00 179.97 179.77 1j4a n ASN 78 N -2.28 1.05 -0.10 7.04 6.94 -1.26 -4.54 115.26 122.12 1j4a n ASN 78 Ca 0.02 -1.20 -0.17 0.00 -0.02 0.00 0.00 54.58 53.22 1j4a n ASN 78 Cb 0.47 -0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.80 1j4a n ASN 78 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1j4a n VAL 79 N -0.71 1.50 -1.93 3.53 0.31 -1.25 -1.58 118.33 118.20 1j4a n VAL 79 Ca 0.00 0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.94 1j4a n VAL 79 Cb 0.07 -2.15 -0.02 0.00 -0.91 0.00 0.00 33.84 30.83 1j4a n VAL 79 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1j4a s GLY 80 N -4.73 2.14 -0.07 2.92 0.00 -1.26 -4.78 107.32 101.54 1j4a s GLY 80 Ca -0.26 1.41 0.11 0.00 0.00 0.00 0.00 44.72 45.98 1j4a s GLY 80 CO 0.46 2.42 1.15 3.33 0.00 0.00 0.00 173.10 180.45 1j4a n VAL 81 N 2.53 1.52 0.56 1.40 0.24 -1.26 -4.77 118.33 118.55 1j4a n VAL 81 Ca 0.08 -1.61 0.13 0.00 -2.04 0.00 0.00 64.34 60.90 1j4a n VAL 81 Cb 0.39 0.11 0.43 0.00 -1.47 0.00 0.00 33.84 33.30 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 -0.74 0.79 -1.82 -1.34 8.00 -1.26 -2.92 116.55 117.26 1j4a n ASP 82 Ca 0.11 0.60 -0.02 0.00 0.71 0.00 0.00 54.79 56.19 1j4a n ASP 82 Cb 0.51 -0.81 0.31 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.27 4.78 -4.50 -2.24 6.94 -1.26 -4.93 115.26 111.78 1j4a n ASN 83 Ca 0.05 -3.18 -0.35 0.00 -0.02 0.00 0.00 54.58 51.07 1j4a n ASN 83 Cb 0.38 -0.71 -0.12 0.00 -2.36 0.00 0.00 39.78 36.97 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 4.17 -0.72 1.53 1.01 -1.15 0.13 121.20 123.21 1j4a s ILE 84 Ca 0.53 -0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.68 1j4a s ILE 84 Cb 0.43 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1j4a s ILE 84 CO 0.13 0.43 2.05 -0.62 0.00 0.00 0.00 174.94 176.93 1j4a s ASP 85 N 0.83 4.91 0.22 3.58 -1.08 -0.78 -4.80 116.67 119.54 1j4a s ASP 85 Ca 0.01 0.07 -0.03 0.00 -0.52 0.00 0.00 52.55 52.08 1j4a s ASP 85 Cb -0.14 -2.54 0.22 0.00 -1.46 0.00 0.00 42.92 39.01 1j4a s ASP 85 CO 0.02 -2.79 1.63 0.24 0.52 0.00 0.00 175.17 174.79 1j4a h MET 86 N 14.13 0.68 0.26 4.34 2.86 -1.94 -2.33 114.93 132.92 1j4a h MET 86 Ca -0.10 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1j4a h MET 86 Cb 1.10 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 1j4a h MET 86 CO 1.18 0.88 -0.38 0.00 1.06 0.00 0.00 176.91 179.65 1j4a h ALA 87 N 1.11 -0.74 -0.94 6.32 0.00 -1.98 -0.97 119.26 122.05 1j4a h ALA 87 Ca 0.07 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1j4a h ALA 87 Cb 0.77 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1j4a h ALA 87 CO 0.06 -0.97 0.61 -0.22 0.00 0.00 0.00 179.25 178.74 1j4a h LYS 88 N -0.70 1.11 0.11 0.00 1.63 -1.96 0.31 116.57 117.07 1j4a h LYS 88 Ca -0.00 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1j4a h LYS 88 Cb 0.67 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1j4a h LYS 88 CO -0.14 0.74 -0.05 0.00 -3.45 0.00 0.00 179.45 176.55 1j4a h ALA 89 N 1.47 -0.15 -0.71 5.00 0.00 -1.09 -0.77 119.26 123.01 1j4a h ALA 89 Ca 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1j4a h ALA 89 Cb 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1j4a h ALA 89 CO -0.13 -0.53 0.37 -0.22 0.00 0.00 0.00 179.25 178.74 1j4a h LYS 90 N -0.25 1.01 -0.93 0.00 3.64 -0.70 -0.04 116.57 119.30 1j4a h LYS 90 Ca -0.02 -0.13 0.20 0.00 -1.27 0.00 0.00 60.65 59.43 1j4a h LYS 90 Cb 0.21 -0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 31.72 1j4a h LYS 90 CO 0.02 0.77 0.49 1.49 -2.27 0.00 0.00 179.45 179.96 1j4a h GLU 91 N 0.99 0.56 -0.01 1.90 4.81 -0.05 -0.50 114.58 122.28 1j4a h GLU 91 Ca 0.25 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1j4a h GLU 91 Cb 0.07 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1j4a h GLU 91 CO -0.04 0.37 -0.03 1.28 -0.73 0.00 0.00 179.01 179.86 1j4a n LEU 92 N -4.90 1.34 -0.11 1.64 4.77 -0.32 -4.91 117.00 114.51 1j4a n LEU 92 Ca 0.22 -0.43 -0.01 0.00 -0.03 0.00 0.00 56.01 55.75 1j4a n LEU 92 Cb 0.59 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1j4a n LEU 92 CO 0.18 0.23 -0.01 0.61 -1.33 0.00 0.00 177.39 177.06 1j4a n GLY 93 N 1.19 0.36 3.77 -0.72 0.00 -0.20 -5.01 105.19 104.58 1j4a n GLY 93 Ca 0.18 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.05 2.98 -0.23 1.61 2.99 -0.09 -4.92 117.98 118.26 1j4a s PHE 94 Ca 0.00 1.46 -0.04 0.00 0.00 0.00 0.00 56.93 58.35 1j4a s PHE 94 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 43.02 39.42 1j4a s PHE 94 CO 0.00 -1.78 -0.03 -0.65 -0.00 0.00 0.00 175.22 172.76 1j4a s GLN 95 N -2.06 3.28 -0.03 0.44 -0.21 -0.66 -4.81 119.66 115.61 1j4a s GLN 95 Ca 0.54 -0.70 0.06 0.00 0.02 0.00 0.00 55.36 55.28 1j4a s GLN 95 Cb -0.37 -3.06 -0.01 0.00 1.00 0.00 0.00 33.01 30.57 1j4a s GLN 95 CO 0.48 -0.25 -0.21 0.42 -2.12 0.00 0.00 175.29 173.60 1j4a s ILE 96 N 1.46 1.70 0.28 1.08 1.01 -1.26 -1.67 121.20 123.80 1j4a s ILE 96 Ca 0.05 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 59.86 1j4a s ILE 96 Cb -0.15 -1.43 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 1j4a s ILE 96 CO -0.03 0.48 -0.07 0.42 0.00 0.00 0.00 174.94 175.75 1j4a s THR 97 N -0.33 1.67 0.25 2.92 -4.23 -0.72 -0.20 115.64 115.01 1j4a s THR 97 Ca 0.04 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 1j4a s THR 97 Cb -0.10 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1j4a s THR 97 CO 0.01 -0.31 0.27 -0.46 -0.54 0.00 0.00 174.62 173.58 1j4a n ASN 98 N -0.58 -0.70 -3.76 3.99 6.94 -0.86 -0.89 115.26 119.40 1j4a n ASN 98 Ca -0.06 -2.55 -0.29 0.00 -0.02 0.00 0.00 54.58 51.66 1j4a n ASN 98 Cb 0.63 1.48 -0.13 0.00 -2.36 0.00 0.00 39.78 39.40 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 -2.90 1.66 0.22 3.53 1.01 -0.61 -4.71 120.40 118.60 1j4a s VAL 99 Ca 0.27 -2.76 -0.01 0.00 0.00 0.00 0.00 61.98 59.48 1j4a s VAL 99 Cb 0.01 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1j4a s VAL 99 CO 0.19 -0.89 1.59 1.55 0.00 0.00 0.00 175.10 177.54 1j4a h PRO 100 N 6.62 0.52 -4.88 2.72 0.13 -1.90 -3.33 132.00 131.88 1j4a h PRO 100 Ca -0.01 -0.27 -0.52 0.00 -0.87 0.00 0.00 66.00 64.33 1j4a h PRO 100 Cb 0.91 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 31.74 1j4a h PRO 100 CO 0.53 0.86 -0.82 0.08 -0.23 0.00 0.00 178.00 178.42 1j4a s VAL 101 N -4.17 1.19 0.00 1.56 1.01 -1.26 -4.95 120.40 113.78 1j4a s VAL 101 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1j4a s VAL 101 Cb 0.12 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1j4a s VAL 101 CO 0.82 0.36 0.00 0.00 0.00 0.00 0.00 175.10 176.28 1j4a n TYR 102 N 3.42 0.00 0.00 5.22 0.18 -1.26 -4.94 117.16 119.78 1j4a n TYR 102 Ca -0.20 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.58 1j4a n TYR 102 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 1j4a n TYR 102 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1j4a n SER 103 N -0.20 0.00 0.26 9.48 2.88 -1.26 -4.32 113.62 120.46 1j4a n SER 103 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1j4a n SER 103 Cb 0.00 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.12 1j4a n SER 103 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1j4a h PRO 104 N 0.00 0.00 -0.56 -1.46 0.13 -1.98 -2.70 132.00 125.43 1j4a h PRO 104 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1j4a h PRO 104 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1j4a h PRO 104 CO 0.00 0.04 -0.07 -0.91 -0.23 0.00 0.00 178.00 176.82 1j4a h ASN 105 N 0.00 1.04 -0.65 1.44 4.21 -1.93 -1.26 115.58 118.42 1j4a h ASN 105 Ca -0.00 -0.33 0.12 0.00 1.21 0.00 0.00 56.30 57.30 1j4a h ASN 105 Cb 0.07 -0.28 -0.12 0.00 -1.12 0.00 0.00 38.32 36.87 1j4a h ASN 105 CO 0.00 1.12 -0.27 0.00 -1.29 0.00 0.00 177.43 177.00 1j4a h ALA 106 N 0.97 0.17 -0.08 -0.83 0.00 -1.76 0.27 119.26 118.00 1j4a h ALA 106 Ca 0.15 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1j4a h ALA 106 Cb 0.64 0.69 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1j4a h ALA 106 CO 0.04 -0.57 -0.38 0.82 0.00 0.00 0.00 179.25 179.17 1j4a h ILE 107 N -0.09 1.41 -0.69 0.00 5.03 -1.50 -2.80 117.51 118.87 1j4a h ILE 107 Ca 0.28 -1.76 -0.06 0.00 -0.12 0.00 0.00 64.86 63.20 1j4a h ILE 107 Cb 0.54 2.30 -0.03 0.00 -3.03 0.00 0.00 36.82 36.60 1j4a h ILE 107 CO -0.71 0.51 0.21 0.00 -0.68 0.00 0.00 178.15 177.49 1j4a h ALA 108 N 0.44 0.91 -0.81 1.87 0.00 -1.03 -2.01 119.26 118.63 1j4a h ALA 108 Ca -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1j4a h ALA 108 Cb 1.03 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1j4a h ALA 108 CO 0.08 0.59 0.36 0.93 0.00 0.00 0.00 179.25 181.21 1j4a h GLU 109 N 1.02 1.18 -0.43 0.00 5.08 -0.53 -1.22 114.58 119.68 1j4a h GLU 109 Ca 0.22 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1j4a h GLU 109 Cb 0.31 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1j4a h GLU 109 CO -0.01 0.93 0.21 1.25 -1.00 0.00 0.00 179.01 180.39 1j4a h HIS 110 N 1.16 0.63 -0.31 4.33 2.76 -1.20 0.32 115.15 122.83 1j4a h HIS 110 Ca 0.27 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1j4a h HIS 110 Cb 0.16 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1j4a h HIS 110 CO 0.02 0.51 0.20 0.00 -1.30 0.00 0.00 177.93 177.36 1j4a h ALA 111 N 1.05 0.39 -0.30 5.26 0.00 -1.09 -1.37 119.26 123.19 1j4a h ALA 111 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1j4a h ALA 111 Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1j4a h ALA 111 CO -0.02 -0.15 0.14 0.00 0.00 0.00 0.00 179.25 179.23 1j4a h ALA 112 N 1.11 0.39 0.02 0.00 0.00 -0.89 -1.55 119.26 118.35 1j4a h ALA 112 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j4a h ALA 112 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1j4a h ALA 112 CO -0.03 -0.04 -0.01 0.82 0.00 0.00 0.00 179.25 179.99 1j4a h ILE 113 N 0.35 0.98 -0.79 0.00 2.04 -0.80 -0.99 117.51 118.30 1j4a h ILE 113 Ca 0.10 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1j4a h ILE 113 Cb 0.13 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1j4a h ILE 113 CO -0.01 0.00 0.33 1.56 0.00 0.00 0.00 178.15 180.03 1j4a h GLN 114 N -0.04 1.16 -0.26 2.37 1.08 -1.20 -1.17 115.11 117.05 1j4a h GLN 114 Ca -0.00 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 1j4a h GLN 114 Cb 0.03 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 1j4a h GLN 114 CO 0.01 0.93 0.11 0.00 -0.95 0.00 0.00 178.83 178.93 1j4a h ALA 115 N 1.22 0.34 -0.47 3.87 0.00 -1.10 -1.19 119.26 121.93 1j4a h ALA 115 Ca 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1j4a h ALA 115 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1j4a h ALA 115 CO -0.03 -0.07 0.18 0.00 0.00 0.00 0.00 179.25 179.33 1j4a h ALA 116 N 0.96 1.44 -0.27 0.00 0.00 -0.93 -1.40 119.26 119.07 1j4a h ALA 116 Ca 0.09 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1j4a h ALA 116 Cb 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1j4a h ALA 116 CO -0.01 0.43 -0.49 0.00 0.00 0.00 0.00 179.25 179.18 1j4a h ARG 117 N 0.67 0.80 0.06 0.00 3.08 -0.89 -1.16 114.38 116.94 1j4a h ARG 117 Ca 0.16 -0.51 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 1j4a h ARG 117 Cb 0.14 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1j4a h ARG 117 CO -0.02 1.14 -0.03 0.82 -1.07 0.00 0.00 179.97 180.82 1j4a h ILE 118 N 0.56 1.01 -0.96 2.04 1.08 -0.95 -1.92 117.51 118.38 1j4a h ILE 118 Ca 0.01 -0.21 0.18 0.00 -0.39 0.00 0.00 64.86 64.45 1j4a h ILE 118 Cb 1.10 1.15 -0.09 0.00 -3.07 0.00 0.00 36.82 35.92 1j4a h ILE 118 CO 0.11 0.05 0.61 -0.07 -0.69 0.00 0.00 178.15 178.16 1j4a h LEU 119 N -0.17 0.67 -0.33 1.44 3.38 -1.15 -1.98 115.31 117.17 1j4a h LEU 119 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1j4a h LEU 119 Cb 0.15 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1j4a h LEU 119 CO 0.01 0.28 0.00 -0.09 0.09 0.00 0.00 178.44 178.73 1j4a h ARG 120 N 0.67 0.00 -4.54 1.13 9.65 -0.84 -0.89 114.38 119.56 1j4a h ARG 120 Ca 0.52 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 59.04 1j4a h ARG 120 Cb 0.91 0.00 0.08 0.00 -1.39 0.00 0.00 29.97 29.57 1j4a h ARG 120 CO -0.27 0.00 -0.57 1.04 2.80 0.00 0.00 179.97 182.97 1j4a n GLN 121 N -2.80 -5.49 -0.25 0.20 6.02 -0.74 -4.11 117.38 110.19 1j4a n GLN 121 Ca 0.04 0.78 -0.02 0.00 -0.01 0.00 0.00 57.00 57.79 1j4a n GLN 121 Cb 0.44 -5.48 0.16 0.00 1.02 0.00 0.00 30.24 26.37 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 -1.72 0.97 -0.50 1.08 3.32 -1.64 -1.69 116.42 116.24 1j4a h ASP 122 Ca -0.49 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.35 1j4a h ASP 122 Cb 1.33 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1j4a h ASP 122 CO 0.50 0.79 -0.19 0.50 -1.72 0.00 0.00 179.24 179.12 1j4a h LYS 123 N 1.09 1.01 -0.78 3.56 3.64 -1.80 0.83 116.57 124.12 1j4a h LYS 123 Ca 0.27 -0.42 0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1j4a h LYS 123 Cb 0.04 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1j4a h LYS 123 CO -0.04 1.10 0.50 0.00 -2.27 0.00 0.00 179.45 178.73 1j4a h ALA 124 N 0.88 1.01 -0.30 5.00 0.00 -1.54 0.54 119.26 124.85 1j4a h ALA 124 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1j4a h ALA 124 Cb 0.77 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1j4a h ALA 124 CO 0.06 0.31 0.05 1.98 0.00 0.00 0.00 179.25 181.66 1j4a h MET 125 N 0.97 0.50 -0.69 0.00 1.85 -0.90 -2.38 114.93 114.29 1j4a h MET 125 Ca 0.31 -0.13 -0.03 0.00 -0.61 0.00 0.00 59.70 59.23 1j4a h MET 125 Cb -0.01 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 31.93 1j4a h MET 125 CO -0.10 0.60 0.29 -0.44 -0.40 0.00 0.00 176.91 176.85 1j4a h ASP 126 N 0.32 0.92 -0.30 1.39 3.32 -0.39 -0.45 116.42 121.24 1j4a h ASP 126 Ca 0.09 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 1j4a h ASP 126 Cb 0.34 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1j4a h ASP 126 CO 0.01 0.81 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.79 1j4a h GLU 127 N 0.99 0.77 0.21 3.56 5.08 -0.74 -0.18 114.58 124.28 1j4a h GLU 127 Ca 0.23 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1j4a h GLU 127 Cb 0.17 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1j4a h GLU 127 CO -0.02 0.92 -0.10 0.87 -1.00 0.00 0.00 179.01 179.67 1j4a h LYS 128 N 0.68 -0.27 -0.58 2.33 1.57 -0.93 -2.81 116.57 116.56 1j4a h LYS 128 Ca 0.10 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1j4a h LYS 128 Cb 0.72 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1j4a h LYS 128 CO 0.06 -0.06 0.35 0.28 -0.57 0.00 0.00 179.45 179.51 1j4a h VAL 129 N -0.45 1.16 0.00 0.50 2.07 -0.92 0.01 116.25 118.62 1j4a h VAL 129 Ca -0.03 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1j4a h VAL 129 Cb 0.34 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1j4a h VAL 129 CO 0.05 0.17 -0.28 0.00 0.02 0.00 0.00 177.57 177.52 1j4a h ALA 130 N 1.60 1.10 -0.00 1.67 0.00 -0.92 -1.19 119.26 121.52 1j4a h ALA 130 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1j4a h ALA 130 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1j4a h ALA 130 CO -0.04 0.35 -0.31 0.54 0.00 0.00 0.00 179.25 179.79 1j4a n ARG 131 N -3.57 0.50 -1.46 0.00 1.74 -0.78 -4.94 116.66 108.15 1j4a n ARG 131 Ca -0.01 -0.27 -0.01 0.00 -0.77 0.00 0.00 57.85 56.79 1j4a n ARG 131 Cb 0.42 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.02 -0.03 -2.94 -1.55 8.25 -0.45 -5.00 115.22 112.49 1j4a n HIS 132 Ca 0.10 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.12 1j4a n HIS 132 Cb 0.33 -0.90 -0.04 0.00 1.12 0.00 0.00 29.99 30.51 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 6.18 -0.17 0.41 2.15 -0.10 -4.90 116.67 117.27 1j4a s ASP 133 Ca 0.00 -1.14 0.14 0.00 0.43 0.00 0.00 52.55 51.98 1j4a s ASP 133 Cb 0.00 -2.38 0.69 0.00 -0.30 0.00 0.00 42.92 40.93 1j4a s ASP 133 CO 0.00 -1.34 1.57 0.18 -0.17 0.00 0.00 175.17 175.41 1j4a n LEU 134 N 7.26 4.85 -4.71 -1.34 4.77 -1.26 -3.25 117.00 123.32 1j4a n LEU 134 Ca -0.06 -2.46 -0.42 0.00 -0.03 0.00 0.00 56.01 53.04 1j4a n LEU 134 Cb 0.44 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1j4a n LEU 134 CO 0.62 0.63 0.92 -0.13 -1.33 0.00 0.00 177.39 178.11 1j4a s ARG 135 N -2.29 4.41 0.02 3.23 0.52 -1.26 -4.96 118.95 118.62 1j4a s ARG 135 Ca 0.47 1.84 -0.19 0.00 -0.52 0.00 0.00 55.73 57.33 1j4a s ARG 135 Cb 0.34 -3.32 -0.21 0.00 0.52 0.00 0.00 34.95 32.28 1j4a s ARG 135 CO 0.17 -0.29 1.17 0.11 0.02 0.00 0.00 175.30 176.47 1j4a h TRP 136 N 6.75 0.65 -4.00 -0.53 5.08 -1.97 -3.45 115.95 118.49 1j4a h TRP 136 Ca -0.42 -0.32 -0.51 0.00 1.08 0.00 0.00 58.89 58.72 1j4a h TRP 136 Cb 1.21 -0.09 0.06 0.00 -3.00 0.00 0.00 29.16 27.35 1j4a h TRP 136 CO 0.66 1.12 0.49 0.00 -1.28 0.00 0.00 178.44 179.43 1j4a s ALA 137 N -3.45 2.99 -0.37 0.11 0.00 -1.26 -1.90 121.76 117.88 1j4a s ALA 137 Ca -0.13 0.94 0.07 0.00 0.00 0.00 0.00 51.96 52.84 1j4a s ALA 137 Cb 0.05 -3.39 0.61 0.00 0.00 0.00 0.00 23.12 20.39 1j4a s ALA 137 CO 0.82 -0.66 1.72 -0.35 0.00 0.00 0.00 175.76 177.30 1j4a n PRO 138 N -0.45 2.28 -1.73 0.00 -0.04 -1.26 -5.05 135.00 128.75 1j4a n PRO 138 Ca 0.07 -3.08 -0.40 0.00 -0.04 0.00 0.00 63.50 60.05 1j4a n PRO 138 Cb 0.48 -2.04 -0.01 0.00 -0.04 0.00 0.00 33.50 31.89 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 -1.01 4.43 -2.80 0.52 -1.04 -0.80 -4.96 114.28 108.63 1j4a n THR 139 Ca 0.47 -3.42 -0.37 0.00 -2.04 0.00 0.00 64.05 58.68 1j4a n THR 139 Cb 1.38 -2.43 -0.06 0.00 -1.82 0.00 0.00 70.33 67.40 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 1.16 4.22 0.32 12.58 2.07 -1.26 -4.93 121.20 135.36 1j4a s ILE 140 Ca 0.57 1.83 -0.07 0.00 -1.41 0.00 0.00 60.65 61.57 1j4a s ILE 140 Cb 0.16 -4.05 -0.06 0.00 0.13 0.00 0.00 42.46 38.64 1j4a s ILE 140 CO -0.07 0.21 0.61 -0.83 -1.91 0.00 0.00 174.94 172.96 1j4a s GLY 141 N -1.54 1.89 -0.24 1.50 0.00 -1.26 -4.70 107.32 102.97 1j4a s GLY 141 Ca 0.48 -0.45 -0.04 0.00 0.00 0.00 0.00 44.72 44.70 1j4a s GLY 141 CO 0.25 -0.32 -0.02 0.50 0.00 0.00 0.00 173.10 173.51 1j4a s ARG 142 N -3.62 3.31 0.32 2.90 0.52 -0.34 -4.97 118.95 117.08 1j4a s ARG 142 Ca 0.46 -0.68 -0.29 0.00 -0.52 0.00 0.00 55.73 54.71 1j4a s ARG 142 Cb -0.11 -3.09 -0.11 0.00 0.52 0.00 0.00 34.95 32.17 1j4a s ARG 142 CO 0.30 -0.25 1.43 -1.21 0.02 0.00 0.00 175.30 175.59 1j4a s GLU 143 N 1.48 4.23 0.21 3.54 2.02 -1.26 -4.11 118.70 124.81 1j4a s GLU 143 Ca 0.05 2.39 -0.09 0.00 0.02 0.00 0.00 54.97 57.34 1j4a s GLU 143 Cb -0.15 -3.04 0.21 0.00 0.10 0.00 0.00 34.13 31.25 1j4a s GLU 143 CO -0.02 -0.41 1.84 0.28 0.02 0.00 0.00 175.26 176.98 1j4a h VAL 144 N 3.18 1.07 0.00 2.63 2.07 -1.93 -1.97 116.25 121.30 1j4a h VAL 144 Ca -0.49 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1j4a h VAL 144 Cb 1.23 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1j4a h VAL 144 CO 0.70 0.15 0.00 0.08 0.02 0.00 0.00 177.57 178.52 1j4a h ARG 145 N 0.84 0.00 -0.01 1.57 0.11 -1.85 -1.60 114.38 113.45 1j4a h ARG 145 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 1j4a h ARG 145 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1j4a h ARG 145 CO -0.13 0.00 -0.21 -0.25 0.10 0.00 0.00 179.97 179.48 1j4a n ASP 146 N -2.45 0.84 -4.95 0.08 8.00 -0.74 -4.30 116.55 113.03 1j4a n ASP 146 Ca -0.01 -0.77 -0.25 0.00 0.71 0.00 0.00 54.79 54.47 1j4a n ASP 146 Cb 0.08 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 1j4a n ASP 146 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1j4a s GLN 147 N -2.51 3.44 -0.35 -1.24 -1.52 -0.60 -5.00 119.66 111.89 1j4a s GLN 147 Ca 0.25 -0.64 -0.15 0.00 -1.95 0.00 0.00 55.36 52.87 1j4a s GLN 147 Cb 0.19 -2.94 -0.01 0.00 -0.22 0.00 0.00 33.01 30.03 1j4a s GLN 147 CO 0.51 0.49 0.38 0.08 -0.25 0.00 0.00 175.29 176.50 1j4a s VAL 148 N -1.81 5.15 -0.23 1.09 1.01 -1.26 -2.44 120.40 121.92 1j4a s VAL 148 Ca 0.34 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 1j4a s VAL 148 Cb -0.10 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1j4a s VAL 148 CO 0.29 -0.12 0.15 -0.69 0.00 0.00 0.00 175.10 174.72 1j4a s VAL 149 N 2.05 5.29 -0.25 2.92 1.01 0.57 -0.75 120.40 131.23 1j4a s VAL 149 Ca 0.12 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 1j4a s VAL 149 Cb -0.17 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1j4a s VAL 149 CO 0.12 0.36 0.10 -0.83 0.00 0.00 0.00 175.10 174.85 1j4a s GLY 150 N 0.99 1.81 -0.27 4.51 0.00 0.23 -0.86 107.32 113.73 1j4a s GLY 150 Ca 0.07 -1.10 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 1j4a s GLY 150 CO 0.04 0.55 0.06 0.14 0.00 0.00 0.00 173.10 173.89 1j4a s VAL 151 N 1.60 3.99 -0.61 1.40 1.01 -0.12 -2.03 120.40 125.65 1j4a s VAL 151 Ca 0.06 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1j4a s VAL 151 Cb -0.15 -2.97 0.13 0.00 0.00 0.00 0.00 36.38 33.38 1j4a s VAL 151 CO 0.05 0.20 0.65 -0.69 0.00 0.00 0.00 175.10 175.32 1j4a s VAL 152 N 1.53 5.03 0.00 2.92 1.01 -0.79 -1.28 120.40 128.82 1j4a s VAL 152 Ca 0.04 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1j4a s VAL 152 Cb -0.16 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1j4a s VAL 152 CO 0.02 -1.04 0.00 0.61 0.00 0.00 0.00 175.10 174.69 1j4a n GLY 153 N 5.16 2.63 2.20 4.51 0.00 -0.36 0.05 105.19 119.38 1j4a n GLY 153 Ca -0.08 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 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 0.95 2.71 0.00 2.61 -2.24 -1.26 -4.27 114.28 112.78 1j4a n THR 154 Ca 0.00 -4.19 0.00 0.00 -2.27 0.00 0.00 64.05 57.59 1j4a n THR 154 Cb 0.00 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 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 -0.68 -0.78 0.14 3.38 0.00 -1.26 -4.62 105.19 101.36 1j4a n GLY 155 Ca 0.46 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.02 0.38 -0.00 1.61 3.86 -1.96 -1.62 115.15 117.39 1j4a h HIS 156 Ca 0.00 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1j4a h HIS 156 Cb 0.00 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1j4a h HIS 156 CO 0.00 0.32 -0.00 0.82 0.86 0.00 0.00 177.93 179.93 1j4a h ILE 157 N 0.33 1.25 -0.89 2.45 2.04 -1.93 -2.39 117.51 118.37 1j4a h ILE 157 Ca 0.10 -0.73 0.11 0.00 1.00 0.00 0.00 64.86 65.34 1j4a h ILE 157 Cb 0.07 1.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 1j4a h ILE 157 CO -0.02 0.19 0.52 1.23 0.00 0.00 0.00 178.15 180.07 1j4a h GLY 158 N -0.30 1.42 1.38 5.37 0.00 -1.73 -1.06 103.07 108.15 1j4a h GLY 158 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1j4a h GLY 158 CO 0.00 0.10 -0.13 1.46 0.00 0.00 0.00 176.54 177.97 1j4a h GLN 159 N 0.82 0.73 -0.55 4.80 4.20 -1.19 -0.52 115.11 123.41 1j4a h GLN 159 Ca 0.44 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 1j4a h GLN 159 Cb 0.47 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1j4a h GLN 159 CO -0.28 0.83 -0.08 0.28 -0.67 0.00 0.00 178.83 178.91 1j4a h VAL 160 N 0.66 1.27 -0.76 -0.54 2.07 -0.87 -2.14 116.25 115.94 1j4a h VAL 160 Ca 0.11 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1j4a h VAL 160 Cb 0.59 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1j4a h VAL 160 CO 0.04 0.43 0.45 0.15 0.02 0.00 0.00 177.57 178.66 1j4a h PHE 161 N 0.90 1.00 -0.71 1.57 3.57 -0.84 -1.56 116.94 120.88 1j4a h PHE 161 Ca 0.15 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.72 1j4a h PHE 161 Cb 0.63 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 1j4a h PHE 161 CO 0.04 0.68 0.38 0.52 -2.23 0.00 0.00 178.31 177.71 1j4a h MET 162 N 1.03 0.66 -0.36 1.11 2.86 -0.90 -1.46 114.93 117.87 1j4a h MET 162 Ca 0.27 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1j4a h MET 162 Cb -0.02 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1j4a h MET 162 CO -0.05 0.44 0.16 0.37 1.06 0.00 0.00 176.91 178.88 1j4a h GLN 163 N 0.68 0.54 -0.25 1.72 4.15 -0.78 -1.05 115.11 120.12 1j4a h GLN 163 Ca 0.33 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 1j4a h GLN 163 Cb 0.28 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1j4a h GLN 163 CO -0.22 0.51 0.11 0.82 -1.93 0.00 0.00 178.83 178.12 1j4a h ILE 164 N 0.44 1.16 -0.49 2.39 2.04 -1.08 -1.08 117.51 120.89 1j4a h ILE 164 Ca 0.12 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1j4a h ILE 164 Cb 0.16 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1j4a h ILE 164 CO -0.01 0.16 0.07 0.24 0.00 0.00 0.00 178.15 178.61 1j4a h MET 165 N 0.27 0.77 0.00 2.37 2.86 -1.08 -1.93 114.93 118.19 1j4a h MET 165 Ca 0.09 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 1j4a h MET 165 Cb 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1j4a h MET 165 CO -0.01 0.74 -0.38 0.93 1.06 0.00 0.00 176.91 179.25 1j4a h GLU 166 N 0.74 0.00 -0.03 1.72 5.08 -1.01 -2.34 114.58 118.73 1j4a h GLU 166 Ca 0.16 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1j4a h GLU 166 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1j4a h GLU 166 CO 0.01 0.38 -0.24 0.78 -1.00 0.00 0.00 179.01 178.93 1j4a h GLY 167 N 1.27 0.06 2.00 -3.84 0.00 -0.40 -0.21 103.07 101.95 1j4a h GLY 167 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1j4a h GLY 167 CO 0.05 0.03 0.00 0.74 0.00 0.00 0.00 176.54 177.36 1j4a h PHE 168 N 0.05 0.00 0.00 5.60 -1.00 -1.21 -3.47 116.94 116.90 1j4a h PHE 168 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1j4a h PHE 168 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1j4a h PHE 168 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1j4a n GLY 169 N 0.92 0.96 3.79 -1.45 0.00 -0.09 -4.09 105.19 105.23 1j4a n GLY 169 Ca 0.04 -0.00 -0.33 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 2.64 -0.13 4.61 0.00 -0.99 -4.71 121.76 121.18 1j4a s ALA 170 Ca 0.00 0.41 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 1j4a s ALA 170 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1j4a s ALA 170 CO 0.00 -1.02 0.95 0.21 0.00 0.00 0.00 175.76 175.90 1j4a s LYS 171 N -4.19 4.38 -0.14 0.00 2.20 -1.02 -4.47 119.74 116.50 1j4a s LYS 171 Ca 0.64 1.26 -0.02 0.00 -0.36 0.00 0.00 55.97 57.49 1j4a s LYS 171 Cb -0.17 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1j4a s LYS 171 CO 0.40 -0.32 -0.07 0.08 -0.36 0.00 0.00 175.35 175.08 1j4a s VAL 172 N 2.08 3.60 0.25 4.02 1.01 -1.26 -0.32 120.40 129.78 1j4a s VAL 172 Ca 0.45 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1j4a s VAL 172 Cb -0.18 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1j4a s VAL 172 CO 0.16 0.51 -0.10 0.27 0.00 0.00 0.00 175.10 175.94 1j4a s ILE 173 N 0.25 1.71 0.07 2.22 -4.36 -0.04 -4.88 121.20 116.17 1j4a s ILE 173 Ca -0.05 -2.17 -0.13 0.00 -0.26 0.00 0.00 60.65 58.04 1j4a s ILE 173 Cb -0.14 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.30 1j4a s ILE 173 CO 0.04 -0.42 0.29 0.42 0.24 0.00 0.00 174.94 175.50 1j4a s THR 174 N -2.98 0.10 -0.02 8.37 -4.23 0.93 -0.94 115.64 116.86 1j4a s THR 174 Ca 0.27 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.99 1j4a s THR 174 Cb 0.02 -1.08 0.01 0.00 1.34 0.00 0.00 72.50 72.79 1j4a s THR 174 CO 0.10 -0.44 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.21 1j4a s TYR 175 N -3.10 0.68 -0.18 3.99 5.04 -0.41 -1.48 117.35 121.89 1j4a s TYR 175 Ca -0.01 -0.16 -0.13 0.00 -2.44 0.00 0.00 57.07 54.33 1j4a s TYR 175 Cb 0.01 -0.53 0.05 0.00 0.35 0.00 0.00 41.96 41.85 1j4a s TYR 175 CO -0.07 -0.10 0.46 0.34 -1.34 0.00 0.00 175.55 174.85 1j4a s ASP 176 N 0.37 -0.54 0.59 4.32 -1.08 -1.26 -1.23 116.67 117.84 1j4a s ASP 176 Ca -0.05 0.97 0.36 0.00 -0.52 0.00 0.00 52.55 53.32 1j4a s ASP 176 Cb -0.09 0.91 1.79 0.00 -1.46 0.00 0.00 42.92 44.08 1j4a s ASP 176 CO 0.00 -0.18 2.15 0.16 0.52 0.00 0.00 175.17 177.82 1j4a h ILE 177 N 4.94 0.14 -3.69 4.11 -0.00 -2.02 -3.38 117.51 117.61 1j4a h ILE 177 Ca -0.31 -0.33 -0.67 0.00 -0.00 0.00 0.00 64.86 63.55 1j4a h ILE 177 Cb 1.18 1.28 -0.21 0.00 -0.00 0.00 0.00 36.82 39.07 1j4a h ILE 177 CO 0.24 0.03 -0.56 0.12 -0.00 0.00 0.00 178.15 177.98 1j4a s PHE 178 N -3.98 3.17 -0.41 0.16 5.36 -1.26 -5.08 117.98 115.95 1j4a s PHE 178 Ca -0.02 -0.42 -0.17 0.00 -0.96 0.00 0.00 56.93 55.36 1j4a s PHE 178 Cb 0.11 -2.35 0.02 0.00 -0.34 0.00 0.00 43.02 40.46 1j4a s PHE 178 CO 0.50 -0.39 0.44 1.03 -1.46 0.00 0.00 175.22 175.35 1j4a s ARG 179 N 1.64 3.20 0.02 10.12 0.52 -1.26 -4.90 118.95 128.29 1j4a s ARG 179 Ca 0.05 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.31 1j4a s ARG 179 Cb -0.17 -3.93 -0.08 0.00 0.52 0.00 0.00 34.95 31.29 1j4a s ARG 179 CO 0.07 -0.80 1.86 1.21 0.02 0.00 0.00 175.30 177.65 1j4a s ASN 180 N 1.81 6.51 0.27 0.23 3.84 -1.26 -4.85 114.94 121.49 1j4a s ASN 180 Ca 0.13 2.55 -0.01 0.00 0.21 0.00 0.00 52.86 55.74 1j4a s ASN 180 Cb -0.17 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.46 1j4a s ASN 180 CO 0.14 -1.01 1.87 -0.65 -2.79 0.00 0.00 177.10 174.66 1j4a h PRO 181 N 10.07 1.08 -0.41 0.43 0.11 -1.98 -0.15 132.00 141.16 1j4a h PRO 181 Ca -0.46 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1j4a h PRO 181 Cb 1.22 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1j4a h PRO 181 CO 0.94 0.72 -0.04 1.49 -0.21 0.00 0.00 178.00 180.90 1j4a h GLU 182 N 1.11 0.75 -0.30 1.05 4.81 -2.00 -1.63 114.58 118.38 1j4a h GLU 182 Ca 0.45 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1j4a h GLU 182 Cb 0.28 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1j4a h GLU 182 CO -0.20 0.86 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.62 1j4a h LEU 183 N 0.58 0.59 -0.50 1.64 3.38 -1.80 -2.52 115.31 116.68 1j4a h LEU 183 Ca 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1j4a h LEU 183 Cb 0.54 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1j4a h LEU 183 CO 0.03 0.82 0.20 -0.08 0.09 0.00 0.00 178.44 179.50 1j4a h GLU 184 N 0.51 0.75 -0.83 1.13 4.81 -0.95 -2.28 114.58 117.72 1j4a h GLU 184 Ca 0.07 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1j4a h GLU 184 Cb 0.69 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 1j4a h GLU 184 CO 0.05 0.67 0.52 0.87 -0.73 0.00 0.00 179.01 180.39 1j4a h LYS 185 N 0.67 0.96 0.00 1.92 6.56 -1.10 0.14 116.57 125.71 1j4a h LYS 185 Ca 0.17 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1j4a h LYS 185 Cb 0.20 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 1j4a h LYS 185 CO -0.01 0.63 0.00 1.63 -2.06 0.00 0.00 179.45 179.64 1j4a n LYS 186 N -4.60 0.03 -1.61 3.15 4.01 -0.97 -4.93 118.16 113.24 1j4a n LYS 186 Ca 0.11 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 58.07 1j4a n LYS 186 Cb 0.13 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 1j4a n LYS 186 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j4a n GLY 187 N 0.48 0.56 0.12 0.72 0.00 0.48 -4.97 105.19 102.58 1j4a n GLY 187 Ca 0.05 -0.80 -0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -3.50 1.61 0.05 -1.64 -3.46 116.97 110.03 1j4a h TYR 188 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1j4a h TYR 188 Cb 0.74 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 1j4a h TYR 188 CO 0.00 0.64 0.34 0.71 -1.05 0.00 0.00 178.16 178.80 1j4a s TYR 189 N -3.01 3.75 0.55 4.88 2.02 -1.26 -0.05 117.35 124.24 1j4a s TYR 189 Ca 0.02 1.72 -0.04 0.00 -0.37 0.00 0.00 57.07 58.41 1j4a s TYR 189 Cb 0.09 -3.05 0.01 0.00 -0.40 0.00 0.00 41.96 38.61 1j4a s TYR 189 CO 0.76 0.14 0.83 0.14 -1.57 0.00 0.00 175.55 175.85 1j4a s VAL 190 N 0.34 3.64 0.07 0.71 -7.23 -0.55 -4.90 120.40 112.49 1j4a s VAL 190 Ca 0.47 -0.19 0.20 0.00 -1.81 0.00 0.00 61.98 60.65 1j4a s VAL 190 Cb -0.22 -3.42 0.16 0.00 0.56 0.00 0.00 36.38 33.46 1j4a s VAL 190 CO 0.28 -0.38 1.70 0.44 -0.31 0.00 0.00 175.10 176.83 1j4a h ASP 191 N -0.01 0.00 -5.04 4.85 3.32 -1.94 -3.47 116.42 114.13 1j4a h ASP 191 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1j4a h ASP 191 Cb 1.26 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.72 1j4a h ASP 191 CO 0.59 0.34 0.14 -0.94 -1.72 0.00 0.00 179.24 177.65 1j4a s SER 192 N -6.35 -0.35 0.17 6.45 1.04 -1.26 -5.00 113.70 108.40 1j4a s SER 192 Ca 0.01 -0.38 -0.14 0.00 0.48 0.00 0.00 55.95 55.93 1j4a s SER 192 Cb 0.10 0.63 0.06 0.00 0.10 0.00 0.00 66.02 66.91 1j4a s SER 192 CO 0.68 -1.11 1.83 0.25 0.98 0.00 0.00 173.24 175.87 1j4a h LEU 193 N 2.09 0.61 -1.79 2.42 5.85 -1.97 -0.93 115.31 121.59 1j4a h LEU 193 Ca -0.28 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.46 1j4a h LEU 193 Cb 1.27 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1j4a h LEU 193 CO 0.34 0.45 0.22 0.44 -0.34 0.00 0.00 178.44 179.55 1j4a h ASP 194 N 0.71 0.24 0.26 1.25 3.32 -1.99 0.21 116.42 120.42 1j4a h ASP 194 Ca 0.19 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 1j4a h ASP 194 Cb -0.07 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1j4a h ASP 194 CO -0.04 0.16 -0.42 0.44 -1.72 0.00 0.00 179.24 177.66 1j4a h ASP 195 N 0.27 0.22 -0.20 6.45 3.32 -1.58 -1.47 116.42 123.43 1j4a h ASP 195 Ca 0.14 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 1j4a h ASP 195 Cb 0.22 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1j4a h ASP 195 CO -0.03 0.62 -0.53 0.25 -1.72 0.00 0.00 179.24 177.83 1j4a h LEU 196 N 0.17 0.82 -1.24 1.55 6.46 -0.44 -2.68 115.31 119.95 1j4a h LEU 196 Ca 0.01 -0.57 0.02 0.00 -0.12 0.00 0.00 57.88 57.22 1j4a h LEU 196 Cb 0.82 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 1j4a h LEU 196 CO 0.06 1.24 0.52 1.88 -0.62 0.00 0.00 178.44 181.53 1j4a h TYR 197 N 0.43 0.97 -0.26 1.25 0.05 -1.00 0.11 116.97 118.51 1j4a h TYR 197 Ca -0.01 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 1j4a h TYR 197 Cb 1.15 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 1j4a h TYR 197 CO 0.09 0.60 -0.23 -0.22 -1.05 0.00 0.00 178.16 177.34 1j4a h LYS 198 N 1.04 0.48 0.00 4.88 3.64 -1.18 -3.12 116.57 122.31 1j4a h LYS 198 Ca 0.30 -0.18 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 1j4a h LYS 198 Cb -0.07 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1j4a h LYS 198 CO -0.07 0.69 -2.15 1.04 -2.27 0.00 0.00 179.45 176.68 1j4a n GLN 199 N -4.13 0.67 -3.32 1.90 6.02 -0.82 -4.74 117.38 112.95 1j4a n GLN 199 Ca -0.00 -0.12 -0.38 0.00 -0.01 0.00 0.00 57.00 56.48 1j4a n GLN 199 Cb 0.39 -1.52 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 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 -3.12 3.57 -0.04 -1.58 0.00 -0.04 -4.73 121.76 115.82 1j4a s ALA 200 Ca -0.09 -0.08 0.13 0.00 0.00 0.00 0.00 51.96 51.92 1j4a s ALA 200 Cb 0.11 -2.60 -0.18 0.00 0.00 0.00 0.00 23.12 20.45 1j4a s ALA 200 CO 0.88 0.28 0.89 -0.44 0.00 0.00 0.00 175.76 177.37 1j4a h ASP 201 N 5.31 0.00 -3.59 0.00 3.32 -1.29 -3.39 116.42 116.78 1j4a h ASP 201 Ca -0.47 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.05 1j4a h ASP 201 Cb 1.20 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 1j4a h ASP 201 CO 0.67 0.86 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.54 1j4a s VAL 202 N -2.73 1.24 -0.11 -1.35 1.01 -1.07 -0.46 120.40 116.92 1j4a s VAL 202 Ca -0.02 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1j4a s VAL 202 Cb 0.09 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1j4a s VAL 202 CO 0.81 0.37 -0.15 -0.63 0.00 0.00 0.00 175.10 175.50 1j4a s ILE 203 N 0.42 1.53 -0.13 2.22 1.01 0.99 -0.60 121.20 126.65 1j4a s ILE 203 Ca -0.11 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1j4a s ILE 203 Cb -0.14 -1.40 0.01 0.00 0.01 0.00 0.00 42.46 40.94 1j4a s ILE 203 CO 0.03 0.45 -0.21 -0.55 0.00 0.00 0.00 174.94 174.66 1j4a s SER 204 N 1.03 2.95 -0.15 3.58 0.15 -0.86 0.01 113.70 120.42 1j4a s SER 204 Ca -0.05 -0.56 -0.18 0.00 0.70 0.00 0.00 55.95 55.85 1j4a s SER 204 Cb -0.15 -1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 62.76 1j4a s SER 204 CO -0.03 0.08 0.50 -0.76 1.20 0.00 0.00 173.24 174.23 1j4a s LEU 205 N 0.79 4.23 -0.31 3.45 1.43 -0.66 -1.88 118.68 125.73 1j4a s LEU 205 Ca -0.08 0.78 0.18 0.00 -1.03 0.00 0.00 54.13 53.97 1j4a s LEU 205 Cb -0.16 -2.71 0.47 0.00 0.03 0.00 0.00 46.19 43.82 1j4a s LEU 205 CO -0.01 -0.07 1.02 1.41 0.23 0.00 0.00 176.35 178.94 1j4a n HIS 206 N 4.06 1.42 -4.34 0.29 8.25 0.11 -3.96 115.22 121.05 1j4a n HIS 206 Ca -0.06 -2.59 -0.20 0.00 -0.26 0.00 0.00 57.72 54.61 1j4a n HIS 206 Cb 0.51 -0.31 -0.11 0.00 1.12 0.00 0.00 29.99 31.21 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 -3.58 1.79 0.59 1.59 -7.23 -1.22 -4.38 120.40 107.96 1j4a s VAL 207 Ca 0.30 -2.07 -0.16 0.00 -1.81 0.00 0.00 61.98 58.23 1j4a s VAL 207 Cb 0.41 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1j4a s VAL 207 CO -0.00 -0.45 1.06 -2.16 -0.31 0.00 0.00 175.10 173.23 1j4a s PRO 208 N -3.22 3.34 -1.43 4.82 0.04 -1.26 -4.58 135.00 132.70 1j4a s PRO 208 Ca 0.19 1.24 -0.09 0.00 0.04 0.00 0.00 61.00 62.39 1j4a s PRO 208 Cb -0.03 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1j4a s PRO 208 CO 0.07 -0.80 2.44 -0.40 0.04 0.00 0.00 177.00 178.35 1j4a n ASP 209 N -1.93 7.05 -4.80 6.66 3.85 -1.26 -4.79 116.55 121.34 1j4a n ASP 209 Ca 0.09 -2.91 -0.32 0.00 -0.71 0.00 0.00 54.79 50.93 1j4a n ASP 209 Cb 0.53 -1.49 0.03 0.00 -1.35 0.00 0.00 41.12 38.84 1j4a n ASP 209 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1j4a s VAL 210 N 0.85 3.67 0.33 2.12 -7.23 -1.26 -4.76 120.40 114.12 1j4a s VAL 210 Ca 0.55 0.71 0.09 0.00 -1.81 0.00 0.00 61.98 61.52 1j4a s VAL 210 Cb 0.16 -3.27 0.39 0.00 0.56 0.00 0.00 36.38 34.22 1j4a s VAL 210 CO -0.06 -0.54 1.58 -0.65 -0.31 0.00 0.00 175.10 175.11 1j4a h PRO 211 N -0.03 0.01 0.00 4.82 0.11 -1.98 0.47 132.00 135.40 1j4a h PRO 211 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1j4a h PRO 211 Cb 1.23 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1j4a h PRO 211 CO 0.56 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 1j4a h ALA 212 N 1.99 1.00 -0.03 -0.75 0.00 -1.96 -2.62 119.26 116.89 1j4a h ALA 212 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1j4a h ALA 212 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1j4a h ALA 212 CO -0.86 0.00 -0.12 0.09 0.00 0.00 0.00 179.25 178.36 1j4a n ASN 213 N -3.04 2.70 -4.69 0.00 3.02 0.16 -4.81 115.26 108.61 1j4a n ASN 213 Ca -0.00 -1.85 -0.42 0.00 -0.03 0.00 0.00 54.58 52.27 1j4a n ASN 213 Cb 0.24 0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 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 -2.08 3.44 -1.46 2.41 1.01 -0.99 -2.37 120.40 120.36 1j4a s VAL 214 Ca 0.25 0.82 -0.08 0.00 0.00 0.00 0.00 61.98 62.96 1j4a s VAL 214 Cb 0.19 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 33.08 1j4a s VAL 214 CO 0.36 -0.01 0.82 1.41 0.00 0.00 0.00 175.10 177.68 1j4a n HIS 215 N 5.66 -2.25 0.24 5.22 8.25 0.37 -4.84 115.22 127.86 1j4a n HIS 215 Ca 0.15 0.72 0.07 0.00 -0.26 0.00 0.00 57.72 58.40 1j4a n HIS 215 Cb 0.42 -4.30 0.57 0.00 1.12 0.00 0.00 29.99 27.80 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 -1.81 0.00 -4.91 -0.41 3.00 -0.99 -3.35 114.93 106.46 1j4a h MET 216 Ca -0.54 0.00 -0.69 0.00 0.00 0.00 0.00 59.70 58.48 1j4a h MET 216 Cb 1.36 0.00 -0.18 0.00 0.00 0.00 0.00 31.60 32.77 1j4a h MET 216 CO 0.58 0.16 0.09 0.42 0.00 0.00 0.00 176.91 178.17 1j4a s ILE 217 N -4.57 4.83 0.17 -0.10 -1.09 -0.93 -4.66 121.20 114.85 1j4a s ILE 217 Ca -0.04 -0.63 -0.00 0.00 -2.23 0.00 0.00 60.65 57.74 1j4a s ILE 217 Cb 0.15 -4.38 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 1j4a s ILE 217 CO 0.67 -0.93 0.23 -0.46 -1.23 0.00 0.00 174.94 173.21 1j4a n ASN 218 N 6.29 -0.62 -0.24 3.58 0.23 -1.26 -1.45 115.26 121.80 1j4a n ASN 218 Ca -0.07 -1.93 0.03 0.00 -0.53 0.00 0.00 54.58 52.08 1j4a n ASN 218 Cb 0.44 1.18 0.16 0.00 -2.08 0.00 0.00 39.78 39.48 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 0.95 0.31 -0.24 0.53 3.32 -1.93 -0.88 116.42 118.49 1j4a h ASP 219 Ca -0.13 0.09 -0.20 0.00 0.02 0.00 0.00 57.03 56.81 1j4a h ASP 219 Cb 0.57 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1j4a h ASP 219 CO 0.18 0.15 -0.63 -0.33 -1.72 0.00 0.00 179.24 176.89 1j4a h GLU 220 N 0.48 0.85 -0.06 3.56 3.07 -1.96 -2.01 114.58 118.51 1j4a h GLU 220 Ca 0.37 -0.59 -0.17 0.00 -0.50 0.00 0.00 59.36 58.47 1j4a h GLU 220 Cb 0.50 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1j4a h GLU 220 CO -0.35 1.22 -0.69 0.66 -1.40 0.00 0.00 179.01 178.45 1j4a h SER 221 N 0.63 0.32 -0.02 1.42 4.64 -1.76 -2.75 113.55 116.03 1j4a h SER 221 Ca -0.01 -0.21 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 1j4a h SER 221 Cb 1.25 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1j4a h SER 221 CO 0.14 0.91 -0.23 0.40 -0.87 0.00 0.00 176.83 177.18 1j4a h ILE 222 N 0.19 1.25 -0.01 0.95 2.04 -1.18 -0.85 117.51 119.90 1j4a h ILE 222 Ca -0.02 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.59 1j4a h ILE 222 Cb 1.24 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1j4a h ILE 222 CO 0.11 0.38 -0.29 0.00 0.00 0.00 0.00 178.15 178.35 1j4a h ALA 223 N 1.38 1.51 0.00 1.87 0.00 -1.30 -2.27 119.26 120.46 1j4a h ALA 223 Ca 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1j4a h ALA 223 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1j4a h ALA 223 CO 0.04 0.37 -0.25 0.87 0.00 0.00 0.00 179.25 180.28 1j4a h LYS 224 N 0.01 0.00 -7.30 0.00 1.57 -0.87 -3.46 116.57 106.52 1j4a h LYS 224 Ca -0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 1j4a h LYS 224 Cb 0.52 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.99 1j4a h LYS 224 CO 0.04 0.25 0.18 -1.64 -0.57 0.00 0.00 179.45 177.71 1j4a s MET 225 N -3.25 0.57 0.48 3.15 -1.94 -0.82 -4.05 119.30 113.44 1j4a s MET 225 Ca 0.04 0.81 -0.22 0.00 -1.71 0.00 0.00 55.69 54.61 1j4a s MET 225 Cb 0.08 -1.73 -0.07 0.00 2.01 0.00 0.00 34.83 35.11 1j4a s MET 225 CO 0.68 -2.71 1.14 0.15 -0.01 0.00 0.00 175.02 174.27 1j4a s LYS 226 N -4.82 3.67 0.42 2.03 1.02 -1.18 -4.96 119.74 115.93 1j4a s LYS 226 Ca 0.65 1.68 -0.26 0.00 0.02 0.00 0.00 55.97 58.06 1j4a s LYS 226 Cb -0.20 -2.28 -0.10 0.00 -0.52 0.00 0.00 37.83 34.74 1j4a s LYS 226 CO 0.59 -0.60 1.41 0.94 -0.92 0.00 0.00 175.35 176.76 1j4a n GLN 227 N -0.73 2.29 -2.25 1.68 -0.06 -1.26 -2.24 117.38 114.81 1j4a n GLN 227 Ca 0.09 0.81 -0.16 0.00 -2.00 0.00 0.00 57.00 55.74 1j4a n GLN 227 Cb 0.49 -2.58 -0.01 0.00 -4.06 0.00 0.00 30.24 24.09 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 0.11 -4.76 -4.77 1.69 10.43 -0.65 -4.98 116.55 113.62 1j4a n ASP 228 Ca 0.04 0.01 -0.40 0.00 2.57 0.00 0.00 54.79 57.01 1j4a n ASP 228 Cb 0.40 -3.87 -0.02 0.00 1.84 0.00 0.00 41.12 39.47 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 -2.78 2.87 -0.26 2.53 0.11 -0.95 -4.22 120.40 117.70 1j4a s VAL 229 Ca 0.00 0.82 -0.07 0.00 -2.93 0.00 0.00 61.98 59.80 1j4a s VAL 229 Cb 0.00 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.32 1j4a s VAL 229 CO 0.00 0.16 0.08 -0.69 -3.33 0.00 0.00 175.10 171.32 1j4a s VAL 230 N -1.22 4.33 -0.17 2.04 1.01 0.39 -0.47 120.40 126.30 1j4a s VAL 230 Ca 0.52 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 1j4a s VAL 230 Cb -0.37 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1j4a s VAL 230 CO 0.48 0.31 0.06 -0.63 0.00 0.00 0.00 175.10 175.32 1j4a s ILE 231 N 1.61 4.79 -0.08 2.22 1.01 -0.98 -0.01 121.20 129.76 1j4a s ILE 231 Ca 0.06 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.70 1j4a s ILE 231 Cb -0.15 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.18 1j4a s ILE 231 CO 0.04 0.48 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 1j4a s VAL 232 N 0.25 1.55 -0.26 2.92 1.01 0.10 -1.38 120.40 124.58 1j4a s VAL 232 Ca 0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1j4a s VAL 232 Cb -0.12 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 34.97 1j4a s VAL 232 CO 0.00 0.45 0.08 0.21 0.00 0.00 0.00 175.10 175.84 1j4a s ASN 233 N 0.49 3.55 -0.03 3.32 2.47 -0.09 -1.66 114.94 123.00 1j4a s ASN 233 Ca -0.16 -1.28 0.09 0.00 0.42 0.00 0.00 52.86 51.93 1j4a s ASN 233 Cb -0.17 -0.70 0.24 0.00 -1.45 0.00 0.00 41.25 39.18 1j4a s ASN 233 CO 0.06 -0.37 1.20 1.33 -3.72 0.00 0.00 177.10 175.59 1j4a n VAL 234 N 4.98 1.20 0.00 -5.21 0.24 -1.26 -1.44 118.33 116.83 1j4a n VAL 234 Ca -0.05 -1.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 1j4a n VAL 234 Cb 0.44 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 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 0.01 0.00 -3.80 -1.34 2.88 -1.25 -4.85 113.62 105.25 1j4a n SER 235 Ca 0.10 0.02 -0.13 0.00 -1.33 0.00 0.00 58.87 57.53 1j4a n SER 235 Cb 0.44 -0.25 -0.13 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.49 0.14 0.17 -1.46 1.81 -1.26 -4.98 118.95 112.87 1j4a s ARG 236 Ca 0.00 0.24 -0.23 0.00 -1.72 0.00 0.00 55.73 54.02 1j4a s ARG 236 Cb 0.00 0.00 0.07 0.00 -0.45 0.00 0.00 34.95 34.58 1j4a s ARG 236 CO 0.00 -0.06 1.59 0.78 -0.68 0.00 0.00 175.30 176.93 1j4a h GLY 237 N 6.31 -0.23 2.00 -3.53 0.00 -1.84 -2.75 103.07 103.03 1j4a h GLY 237 Ca -0.30 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1j4a h GLY 237 CO 0.43 -0.20 0.00 -1.05 0.00 0.00 0.00 176.54 175.71 1j4a n PRO 238 N -5.42 0.02 0.26 4.80 -0.02 -1.26 -2.32 135.00 131.05 1j4a n PRO 238 Ca 0.02 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 1j4a n PRO 238 Cb 0.34 -1.55 0.69 0.00 -0.02 0.00 0.00 33.50 32.97 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 -8.54 2.45 3.38 -1.70 0.11 115.31 111.01 1j4a h LEU 239 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1j4a h LEU 239 Cb 0.12 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.59 1j4a h LEU 239 CO 0.00 0.11 -0.77 -0.69 0.09 0.00 0.00 178.44 177.18 1j4a s VAL 240 N -4.45 3.00 -0.73 1.22 1.01 -0.98 -1.89 120.40 117.59 1j4a s VAL 240 Ca -0.04 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 1j4a s VAL 240 Cb 0.14 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.29 1j4a s VAL 240 CO 0.62 0.51 1.23 -0.62 0.00 0.00 0.00 175.10 176.84 1j4a s ASP 241 N 0.57 6.16 0.30 3.32 -1.08 -0.53 -4.81 116.67 120.61 1j4a s ASP 241 Ca -0.08 -0.53 0.01 0.00 -0.52 0.00 0.00 52.55 51.44 1j4a s ASP 241 Cb -0.16 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.32 1j4a s ASP 241 CO 0.03 -1.78 1.89 0.74 0.52 0.00 0.00 175.17 176.58 1j4a h THR 242 N 6.02 1.02 -0.39 1.71 2.02 -1.93 -1.52 112.91 119.85 1j4a h THR 242 Ca -0.28 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 1j4a h THR 242 Cb 1.05 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1j4a h THR 242 CO 1.27 0.18 -0.02 0.44 0.37 0.00 0.00 175.52 177.75 1j4a h ASP 243 N 1.00 0.59 -0.55 4.18 3.32 -1.97 -0.11 116.42 122.89 1j4a h ASP 243 Ca 0.41 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 1j4a h ASP 243 Cb 0.29 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1j4a h ASP 243 CO -0.17 0.68 -0.10 0.00 -1.72 0.00 0.00 179.24 177.93 1j4a h ALA 244 N 1.39 0.75 -0.52 3.45 0.00 -1.65 -0.21 119.26 122.47 1j4a h ALA 244 Ca 0.12 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1j4a h ALA 244 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1j4a h ALA 244 CO 0.02 0.67 -0.11 0.28 0.00 0.00 0.00 179.25 180.10 1j4a h VAL 245 N 0.92 1.27 -0.39 0.00 2.07 -1.10 -0.88 116.25 118.15 1j4a h VAL 245 Ca 0.14 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 1j4a h VAL 245 Cb 0.67 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1j4a h VAL 245 CO 0.05 0.44 -0.04 0.40 0.02 0.00 0.00 177.57 178.44 1j4a h ILE 246 N 0.87 1.23 -0.34 4.57 2.04 -0.70 0.06 117.51 125.24 1j4a h ILE 246 Ca 0.14 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 1j4a h ILE 246 Cb 0.66 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1j4a h ILE 246 CO 0.05 0.33 -0.14 0.03 0.00 0.00 0.00 178.15 178.41 1j4a h ARG 247 N 0.59 0.60 -0.30 2.37 3.08 -0.71 0.34 114.38 120.35 1j4a h ARG 247 Ca 0.12 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1j4a h ARG 247 Cb 0.44 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1j4a h ARG 247 CO 0.02 0.72 -0.33 0.78 -1.07 0.00 0.00 179.97 180.10 1j4a h GLY 248 N 0.97 0.70 0.71 0.04 0.00 0.12 -0.63 103.07 104.98 1j4a h GLY 248 Ca 0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 1j4a h GLY 248 CO 0.04 0.59 -0.10 1.41 0.00 0.00 0.00 176.54 178.48 1j4a h LEU 249 N 0.55 0.30 -0.90 3.11 3.38 -0.73 -1.21 115.31 119.81 1j4a h LEU 249 Ca 0.06 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1j4a h LEU 249 Cb 0.83 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1j4a h LEU 249 CO 0.07 0.69 0.56 0.44 0.09 0.00 0.00 178.44 180.30 1j4a h ASP 250 N -0.09 1.06 1.35 -0.43 3.32 -0.84 -1.79 116.42 119.00 1j4a h ASP 250 Ca 0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1j4a h ASP 250 Cb 0.60 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1j4a h ASP 250 CO 0.03 0.79 0.00 0.77 -1.72 0.00 0.00 179.24 179.11 1j4a h SER 251 N 1.23 0.00 0.00 6.45 4.64 -1.14 -3.47 113.55 121.26 1j4a h SER 251 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1j4a h SER 251 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1j4a h SER 251 CO -0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 1j4a n GLY 252 N 0.61 0.77 0.25 -0.77 0.00 -0.68 -4.94 105.19 100.44 1j4a n GLY 252 Ca 0.03 0.00 -0.10 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 3.48 0.86 -5.17 1.61 1.63 -1.51 -3.42 116.57 114.05 1j4a h LYS 253 Ca 0.00 -0.30 -0.62 0.00 -0.85 0.00 0.00 60.65 58.88 1j4a h LYS 253 Cb 0.00 -0.06 -0.14 0.00 -0.60 0.00 0.00 32.23 31.43 1j4a h LYS 253 CO 0.00 0.93 -0.41 0.42 -3.45 0.00 0.00 179.45 176.94 1j4a s ILE 254 N -4.91 5.30 0.24 2.00 1.09 -0.64 -1.63 121.20 122.65 1j4a s ILE 254 Ca -0.12 0.34 0.03 0.00 -1.10 0.00 0.00 60.65 59.80 1j4a s ILE 254 Cb 0.11 -3.57 -0.02 0.00 -1.06 0.00 0.00 42.46 37.92 1j4a s ILE 254 CO 0.83 0.30 1.59 0.15 -0.10 0.00 0.00 174.94 177.71 1j4a h PHE 255 N 7.57 0.42 -1.67 3.97 3.57 -0.95 -3.40 116.94 126.46 1j4a h PHE 255 Ca -0.37 -0.14 0.33 0.00 3.53 0.00 0.00 57.97 61.32 1j4a h PHE 255 Cb 1.17 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 39.72 1j4a h PHE 255 CO 0.68 0.79 0.85 0.20 -2.23 0.00 0.00 178.31 178.61 1j4a s GLY 256 N -4.23 -0.31 -0.16 2.40 0.00 -1.24 -4.89 107.32 98.88 1j4a s GLY 256 Ca -0.05 0.47 -0.08 0.00 0.00 0.00 0.00 44.72 45.06 1j4a s GLY 256 CO 0.80 1.88 0.38 -0.47 0.00 0.00 0.00 173.10 175.69 1j4a s TYR 257 N -2.28 -0.59 -0.21 1.90 5.04 -0.60 -2.31 117.35 118.30 1j4a s TYR 257 Ca 0.19 1.24 -0.03 0.00 -2.44 0.00 0.00 57.07 56.02 1j4a s TYR 257 Cb 0.03 0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.55 1j4a s TYR 257 CO -0.03 -0.35 -0.06 0.00 -1.34 0.00 0.00 175.55 173.77 1j4a s ALA 258 N 1.69 2.79 -0.09 3.97 0.00 -0.48 -1.60 121.76 128.04 1j4a s ALA 258 Ca -0.07 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1j4a s ALA 258 Cb -0.10 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1j4a s ALA 258 CO -0.12 -0.32 -0.09 0.00 0.00 0.00 0.00 175.76 175.23 1j4a s MET 259 N 1.29 1.57 0.00 0.00 0.23 -0.16 -0.91 119.30 121.32 1j4a s MET 259 Ca 0.03 -0.31 0.15 0.00 -1.03 0.00 0.00 55.69 54.54 1j4a s MET 259 Cb -0.14 -1.50 0.05 0.00 -1.53 0.00 0.00 34.83 31.71 1j4a s MET 259 CO -0.02 -0.15 0.89 -3.47 -2.03 0.00 0.00 175.02 170.23 1j4a n ASP 260 N 4.50 1.86 -4.09 -1.18 4.64 -0.52 -1.71 116.55 120.05 1j4a n ASP 260 Ca -0.17 -1.43 -0.10 0.00 -1.38 0.00 0.00 54.79 51.72 1j4a n ASP 260 Cb 0.51 0.27 -0.10 0.00 -1.04 0.00 0.00 41.12 40.75 1j4a n ASP 260 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1j4a s VAL 261 N -1.58 0.40 -0.28 5.18 -7.23 -1.24 -1.03 120.40 114.62 1j4a s VAL 261 Ca 0.15 -1.54 -0.13 0.00 -1.81 0.00 0.00 61.98 58.65 1j4a s VAL 261 Cb 0.12 -1.16 0.10 0.00 0.56 0.00 0.00 36.38 36.01 1j4a s VAL 261 CO 0.30 -0.75 0.64 -0.47 -0.31 0.00 0.00 175.10 174.51 1j4a s TYR 262 N -2.89 -1.15 -0.37 2.82 5.04 -1.26 -4.71 117.35 114.84 1j4a s TYR 262 Ca 0.01 2.14 -0.28 0.00 -2.44 0.00 0.00 57.07 56.51 1j4a s TYR 262 Cb 0.00 0.67 -0.04 0.00 0.35 0.00 0.00 41.96 42.95 1j4a s TYR 262 CO -0.05 -0.58 2.05 -1.83 -1.34 0.00 0.00 175.55 173.81 1j4a s GLU 263 N 2.21 2.94 0.00 4.97 -1.05 -1.25 -0.35 118.70 126.16 1j4a s GLU 263 Ca -0.08 1.49 0.00 0.00 -0.15 0.00 0.00 54.97 56.24 1j4a s GLU 263 Cb -0.08 -4.35 0.00 0.00 -0.44 0.00 0.00 34.13 29.25 1j4a s GLU 263 CO -0.19 -2.33 0.00 0.41 0.95 0.00 0.00 175.26 174.10 1j4a n GLY 264 N 5.68 1.06 0.19 -3.83 0.00 -1.26 -4.99 105.19 102.04 1j4a n GLY 264 Ca 0.27 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.31 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 0.48 0.07 -6.54 1.61 4.11 -1.11 -3.43 114.58 109.77 1j4a h GLU 265 Ca 0.00 -0.03 -0.53 0.00 0.07 0.00 0.00 59.36 58.88 1j4a h GLU 265 Cb 0.00 -0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.29 1j4a h GLU 265 CO 0.00 0.44 1.02 0.08 0.07 0.00 0.00 179.01 180.62 1j4a s VAL 266 N -4.19 2.59 0.00 -1.06 1.01 -1.26 -1.17 120.40 116.32 1j4a s VAL 266 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1j4a s VAL 266 Cb 0.14 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1j4a s VAL 266 CO 0.74 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1j4a n GLY 267 N 4.04 0.94 1.05 4.51 0.00 -1.26 -4.78 105.19 109.70 1j4a n GLY 267 Ca 0.16 0.00 0.00 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 -2.02 0.89 -1.64 -0.61 2.08 -0.32 -4.90 119.36 112.84 1j4a n ILE 268 Ca 0.00 0.29 -0.37 0.00 0.56 0.00 0.00 62.75 63.24 1j4a n ILE 268 Cb 0.00 -1.55 0.07 0.00 -0.75 0.00 0.00 39.64 37.42 1j4a n ILE 268 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1j4a n PHE 269 N -3.36 1.70 -2.31 1.39 3.01 -0.36 -2.73 117.46 114.79 1j4a n PHE 269 Ca 0.00 0.42 -0.19 0.00 1.01 0.00 0.00 57.45 58.68 1j4a n PHE 269 Cb 0.13 -2.23 -0.02 0.00 -0.01 0.00 0.00 39.48 37.36 1j4a n PHE 269 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1j4a n ASN 270 N -1.91 -5.53 -4.23 4.37 5.15 -1.26 -4.94 115.26 106.90 1j4a n ASN 270 Ca 0.15 0.07 -0.22 0.00 -0.60 0.00 0.00 54.58 53.99 1j4a n ASN 270 Cb 0.48 -4.64 -0.12 0.00 -0.53 0.00 0.00 39.78 34.96 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 -4.89 1.01 -0.36 1.20 0.41 -1.11 -5.11 118.70 109.85 1j4a s GLU 271 Ca 0.00 -1.06 -0.20 0.00 -0.41 0.00 0.00 54.97 53.31 1j4a s GLU 271 Cb 0.00 -1.16 0.00 0.00 -1.78 0.00 0.00 34.13 31.19 1j4a s GLU 271 CO 0.00 0.27 0.59 0.34 -0.49 0.00 0.00 175.26 175.97 1j4a s ASP 272 N -1.78 6.38 -0.04 -0.19 2.15 -1.26 -4.89 116.67 117.03 1j4a s ASP 272 Ca 0.03 0.03 0.14 0.00 0.43 0.00 0.00 52.55 53.18 1j4a s ASP 272 Cb -0.10 -2.30 0.42 0.00 -0.30 0.00 0.00 42.92 40.63 1j4a s ASP 272 CO 0.03 -0.57 1.35 0.79 -0.17 0.00 0.00 175.17 176.60 1j4a n TRP 273 N 5.95 0.69 -2.13 -5.34 7.02 -1.26 -4.95 117.44 117.41 1j4a n TRP 273 Ca -0.03 -0.56 -0.42 0.00 -1.02 0.00 0.00 57.50 55.46 1j4a n TRP 273 Cb 0.49 -0.08 -0.03 0.00 -2.42 0.00 0.00 31.31 29.27 1j4a n TRP 273 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1j4a s GLU 274 N -1.34 4.19 0.00 -0.99 2.12 -1.26 -1.85 118.70 119.56 1j4a s GLU 274 Ca 0.31 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.67 1j4a s GLU 274 Cb 0.19 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.65 1j4a s GLU 274 CO 0.18 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 1j4a n GLY 275 N 3.99 0.75 3.77 -1.50 0.00 -1.26 -5.03 105.19 105.91 1j4a n GLY 275 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.50 2.21 -0.11 1.61 1.02 -0.77 -5.09 119.74 118.11 1j4a s LYS 276 Ca 0.00 -2.00 -0.27 0.00 0.02 0.00 0.00 55.97 53.72 1j4a s LYS 276 Cb 0.00 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1j4a s LYS 276 CO 0.00 -0.27 0.88 -1.21 -0.92 0.00 0.00 175.35 173.83 1j4a s GLU 277 N -3.97 4.40 0.01 1.68 0.41 -1.26 -4.99 118.70 114.97 1j4a s GLU 277 Ca 0.32 1.17 -0.30 0.00 -0.41 0.00 0.00 54.97 55.75 1j4a s GLU 277 Cb 0.02 -3.52 -0.05 0.00 -1.78 0.00 0.00 34.13 28.80 1j4a s GLU 277 CO 0.18 -0.21 1.32 0.12 -0.49 0.00 0.00 175.26 176.18 1j4a s PHE 278 N 1.69 3.06 0.52 1.61 5.36 -1.26 -4.94 117.98 124.02 1j4a s PHE 278 Ca 0.43 1.00 0.28 0.00 -0.96 0.00 0.00 56.93 57.69 1j4a s PHE 278 Cb -0.18 -3.57 1.66 0.00 -0.34 0.00 0.00 43.02 40.59 1j4a s PHE 278 CO 0.17 -1.99 2.18 -1.00 -1.46 0.00 0.00 175.22 173.13 1j4a h PRO 279 N 7.49 0.00 -2.95 10.12 0.13 -1.97 -3.40 132.00 141.42 1j4a h PRO 279 Ca -0.38 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.31 1j4a h PRO 279 Cb 1.18 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 1j4a h PRO 279 CO 0.88 0.05 -0.73 0.34 -0.23 0.00 0.00 178.00 178.31 1j4a s ASP 280 N -6.18 2.22 0.24 1.44 -1.08 -1.26 -5.01 116.67 107.04 1j4a s ASP 280 Ca -0.04 -0.57 -0.03 0.00 -0.52 0.00 0.00 52.55 51.39 1j4a s ASP 280 Cb 0.14 -0.14 0.27 0.00 -1.46 0.00 0.00 42.92 41.74 1j4a s ASP 280 CO 0.57 -0.35 1.70 0.00 0.52 0.00 0.00 175.17 177.61 1j4a h ALA 281 N 8.40 1.00 -0.44 3.66 0.00 -2.00 -2.02 119.26 127.87 1j4a h ALA 281 Ca -0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1j4a h ALA 281 Cb 1.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1j4a h ALA 281 CO 0.29 0.60 0.17 -0.09 0.00 0.00 0.00 179.25 180.22 1j4a h ARG 282 N 0.69 0.66 -0.73 0.00 2.43 -1.98 -1.60 114.38 113.86 1j4a h ARG 282 Ca 0.12 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1j4a h ARG 282 Cb 0.59 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1j4a h ARG 282 CO 0.04 0.62 0.22 1.25 -1.51 0.00 0.00 179.97 180.59 1j4a h LEU 283 N 0.57 1.07 -1.01 3.80 5.85 -1.94 -1.56 115.31 122.09 1j4a h LEU 283 Ca 0.15 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1j4a h LEU 283 Cb 0.21 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1j4a h LEU 283 CO -0.01 1.00 0.11 0.00 -0.34 0.00 0.00 178.44 179.20 1j4a h ALA 284 N 1.11 1.20 -0.32 1.25 0.00 -1.18 -0.61 119.26 120.71 1j4a h ALA 284 Ca 0.24 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1j4a h ALA 284 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1j4a h ALA 284 CO -0.01 0.55 -0.06 0.22 0.00 0.00 0.00 179.25 179.95 1j4a h ASP 285 N 0.79 0.61 -0.80 0.00 3.58 -0.93 -2.98 116.42 116.68 1j4a h ASP 285 Ca 0.17 -0.36 0.02 0.00 0.42 0.00 0.00 57.03 57.29 1j4a h ASP 285 Cb 0.32 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.16 1j4a h ASP 285 CO 0.00 0.83 0.52 -0.07 -2.88 0.00 0.00 179.24 177.64 1j4a h LEU 286 N 0.39 0.88 -0.81 2.28 3.38 -0.81 -2.63 115.31 117.98 1j4a h LEU 286 Ca 0.08 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1j4a h LEU 286 Cb 0.55 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1j4a h LEU 286 CO 0.03 0.62 0.46 0.40 0.09 0.00 0.00 178.44 180.04 1j4a h ILE 287 N 1.04 0.91 0.00 1.22 2.04 -1.02 -2.60 117.51 119.10 1j4a h ILE 287 Ca 0.31 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1j4a h ILE 287 Cb -0.04 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1j4a h ILE 287 CO -0.09 0.14 -0.22 0.00 0.00 0.00 0.00 178.15 177.98 1j4a n ALA 288 N -2.38 2.80 -1.77 1.87 0.00 -1.01 -4.76 120.51 115.26 1j4a n ALA 288 Ca 0.13 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 1j4a n ALA 288 Cb 0.27 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.02 3.52 0.49 0.00 0.52 -0.98 -4.91 118.95 114.57 1j4a s ARG 289 Ca 0.12 1.85 0.28 0.00 -0.52 0.00 0.00 55.73 57.46 1j4a s ARG 289 Cb 0.18 -2.29 0.87 0.00 0.52 0.00 0.00 34.95 34.23 1j4a s ARG 289 CO 0.61 -0.77 1.80 -1.00 0.02 0.00 0.00 175.30 175.96 1j4a h PRO 290 N 1.73 0.00 -0.11 3.54 0.13 -1.91 -3.08 132.00 132.30 1j4a h PRO 290 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1j4a h PRO 290 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1j4a h PRO 290 CO 0.59 0.02 -0.08 0.27 -0.23 0.00 0.00 178.00 178.57 1j4a n ASN 291 N -3.11 2.67 -4.07 1.44 6.94 -1.26 -3.66 115.26 114.21 1j4a n ASN 291 Ca 0.02 -3.28 -0.23 0.00 -0.02 0.00 0.00 54.58 51.08 1j4a n ASN 291 Cb 0.42 -0.50 -0.16 0.00 -2.36 0.00 0.00 39.78 37.18 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 -2.97 1.06 -0.29 3.53 1.01 -1.16 -1.56 120.40 120.02 1j4a s VAL 292 Ca 0.37 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1j4a s VAL 292 Cb 0.32 -0.92 0.06 0.00 0.00 0.00 0.00 36.38 35.85 1j4a s VAL 292 CO 0.03 0.31 -0.03 -0.76 0.00 0.00 0.00 175.10 174.65 1j4a s LEU 293 N 0.02 3.84 -0.20 3.92 1.43 -0.63 -4.66 118.68 122.40 1j4a s LEU 293 Ca -0.01 -1.41 -0.09 0.00 -1.03 0.00 0.00 54.13 51.58 1j4a s LEU 293 Cb -0.09 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 1j4a s LEU 293 CO 0.01 -0.25 0.11 -0.69 0.23 0.00 0.00 176.35 175.76 1j4a s VAL 294 N 1.17 5.20 0.07 -1.59 1.01 -1.26 -0.99 120.40 124.02 1j4a s VAL 294 Ca -0.05 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1j4a s VAL 294 Cb -0.20 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1j4a s VAL 294 CO -0.03 0.43 -0.17 0.42 0.00 0.00 0.00 175.10 175.75 1j4a s THR 295 N 0.47 1.39 -1.14 3.92 -4.23 -0.69 -5.01 115.64 110.34 1j4a s THR 295 Ca 0.06 -1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 59.19 1j4a s THR 295 Cb -0.12 -1.28 0.10 0.00 1.34 0.00 0.00 72.50 72.55 1j4a s THR 295 CO -0.00 -0.09 2.49 -0.81 -0.54 0.00 0.00 174.62 175.67 1j4a n PRO 296 N 1.36 4.12 -3.45 3.99 -0.04 -1.26 -4.10 135.00 135.62 1j4a n PRO 296 Ca -0.20 -3.19 -0.23 0.00 -0.04 0.00 0.00 63.50 59.84 1j4a n PRO 296 Cb 0.54 -2.53 0.06 0.00 -0.04 0.00 0.00 33.50 31.53 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 1.58 -1.82 -0.11 0.54 4.81 -0.20 -4.53 118.16 118.43 1j4a n LYS 297 Ca 0.60 0.68 0.04 0.00 -0.87 0.00 0.00 58.31 58.76 1j4a n LYS 297 Cb 0.31 -5.06 0.10 0.00 0.02 0.00 0.00 35.03 30.41 1j4a n LYS 297 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1j4a n THR 298 N -3.67 0.86 -0.14 3.15 5.66 -1.26 -4.62 114.28 114.26 1j4a n THR 298 Ca -0.08 -0.93 0.10 0.00 -3.05 0.00 0.00 64.05 60.09 1j4a n THR 298 Cb 0.61 0.59 0.43 0.00 -1.55 0.00 0.00 70.33 70.41 1j4a n THR 298 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j4a h ALA 299 N 1.55 1.87 0.00 1.79 0.00 -1.90 -0.22 119.26 122.35 1j4a h ALA 299 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1j4a h ALA 299 Cb 0.63 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1j4a h ALA 299 CO 0.00 -0.01 -0.08 0.27 0.00 0.00 0.00 179.25 179.42 1j4a h PHE 300 N 0.57 0.00 -1.20 0.00 -5.15 -1.85 -3.23 116.94 106.08 1j4a h PHE 300 Ca 0.31 0.00 -0.71 0.00 -0.20 0.00 0.00 57.97 57.37 1j4a h PHE 300 Cb 0.45 0.00 -0.11 0.00 0.22 0.00 0.00 35.95 36.51 1j4a h PHE 300 CO -0.00 0.08 2.06 0.98 -2.00 0.00 0.00 178.31 179.43 1j4a n TYR 301 N -3.20 4.40 -4.40 6.09 9.36 -0.10 -4.63 117.16 124.68 1j4a n TYR 301 Ca 0.01 -3.02 -0.20 0.00 3.32 0.00 0.00 57.90 58.01 1j4a n TYR 301 Cb 0.38 -2.41 -0.10 0.00 -0.63 0.00 0.00 39.34 36.58 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 2.79 1.37 0.23 2.97 -4.23 -1.26 -5.05 115.64 112.46 1j4a s THR 302 Ca 0.48 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1j4a s THR 302 Cb 0.04 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.43 1j4a s THR 302 CO 0.02 -0.25 1.63 0.71 -0.54 0.00 0.00 174.62 176.19 1j4a h THR 303 N 2.31 1.28 -0.00 3.99 1.35 -1.99 0.03 112.91 119.89 1j4a h THR 303 Ca -0.40 -1.42 0.01 0.00 -0.55 0.00 0.00 66.41 64.05 1j4a h THR 303 Cb 1.23 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1j4a h THR 303 CO 0.67 0.46 -0.03 -0.74 -0.25 0.00 0.00 175.52 175.63 1j4a h HIS 304 N 0.54 -0.07 0.37 4.73 -0.00 -1.95 -1.33 115.15 117.43 1j4a h HIS 304 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 1j4a h HIS 304 Cb 0.79 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 1j4a h HIS 304 CO 0.03 -0.05 -0.18 0.00 -0.00 0.00 0.00 177.93 177.74 1j4a h ALA 305 N 0.95 -0.49 -0.73 5.26 0.00 -1.68 -2.71 119.26 119.85 1j4a h ALA 305 Ca 0.01 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1j4a h ALA 305 Cb 0.07 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1j4a h ALA 305 CO -0.03 -0.75 0.48 0.28 0.00 0.00 0.00 179.25 179.22 1j4a h VAL 306 N -0.54 1.10 -0.43 0.00 2.07 -0.97 -0.69 116.25 116.80 1j4a h VAL 306 Ca -0.05 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1j4a h VAL 306 Cb 0.40 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1j4a h VAL 306 CO 0.08 0.16 0.28 -0.09 0.02 0.00 0.00 177.57 178.02 1j4a h ARG 307 N 0.88 0.57 0.00 1.57 2.43 -1.19 -1.70 114.38 116.94 1j4a h ARG 307 Ca 0.29 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.34 1j4a h ARG 307 Cb 0.07 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1j4a h ARG 307 CO -0.09 0.39 -0.42 -0.91 -1.51 0.00 0.00 179.97 177.44 1j4a h ASN 308 N 0.58 0.00 -0.08 -3.80 2.35 -1.06 -0.69 115.58 112.88 1j4a h ASN 308 Ca 0.16 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 1j4a h ASN 308 Cb -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1j4a h ASN 308 CO -0.03 0.42 -0.48 0.24 -1.65 0.00 0.00 177.43 175.93 1j4a h MET 309 N 0.00 0.63 0.30 0.81 2.86 -0.54 -0.80 114.93 118.20 1j4a h MET 309 Ca -0.00 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1j4a h MET 309 Cb 0.78 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1j4a h MET 309 CO 0.05 0.97 -0.14 0.28 1.06 0.00 0.00 176.91 179.13 1j4a h VAL 310 N 0.50 0.31 -0.78 -2.22 2.07 -1.12 -2.96 116.25 112.06 1j4a h VAL 310 Ca 0.03 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1j4a h VAL 310 Cb 1.02 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1j4a h VAL 310 CO 0.10 0.08 0.31 0.58 0.02 0.00 0.00 177.57 178.65 1j4a h VAL 311 N -1.03 1.26 -0.36 2.57 2.07 -1.18 -2.09 116.25 117.48 1j4a h VAL 311 Ca -0.04 -0.82 -0.14 0.00 0.82 0.00 0.00 66.70 66.51 1j4a h VAL 311 Cb 0.44 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1j4a h VAL 311 CO 0.07 0.33 -0.34 0.11 0.02 0.00 0.00 177.57 177.77 1j4a h LYS 312 N 1.14 0.87 -0.53 1.57 1.57 -1.27 -2.07 116.57 117.85 1j4a h LYS 312 Ca 0.26 -0.45 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 1j4a h LYS 312 Cb 0.22 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1j4a h LYS 312 CO -0.02 1.10 0.10 0.00 -0.57 0.00 0.00 179.45 180.05 1j4a h ALA 313 N 0.76 0.70 -0.41 3.86 0.00 -1.33 -1.67 119.26 121.18 1j4a h ALA 313 Ca 0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1j4a h ALA 313 Cb 0.92 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1j4a h ALA 313 CO 0.08 0.43 0.09 0.74 0.00 0.00 0.00 179.25 180.59 1j4a h PHE 314 N 0.76 0.70 -0.42 0.00 -1.00 -1.41 0.30 116.94 115.87 1j4a h PHE 314 Ca 0.16 -0.09 0.04 0.00 2.81 0.00 0.00 57.97 60.90 1j4a h PHE 314 Cb 0.39 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 1j4a h PHE 314 CO 0.03 0.68 0.18 -0.44 -1.61 0.00 0.00 178.31 177.15 1j4a h ASP 315 N 0.53 0.24 -0.63 2.17 3.32 -1.32 0.17 116.42 120.89 1j4a h ASP 315 Ca 0.13 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1j4a h ASP 315 Cb 0.34 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1j4a h ASP 315 CO 0.00 0.17 0.30 0.78 -1.72 0.00 0.00 179.24 178.78 1j4a h ASN 316 N 0.37 0.83 -0.32 6.45 2.35 -1.05 -1.52 115.58 122.69 1j4a h ASN 316 Ca 0.19 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1j4a h ASN 316 Cb 0.14 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1j4a h ASN 316 CO -0.16 0.73 0.06 -1.13 -1.65 0.00 0.00 177.43 175.28 1j4a h ASN 317 N 0.87 0.50 -0.57 5.81 -0.73 0.00 -1.38 115.58 120.08 1j4a h ASN 317 Ca 0.22 -0.25 0.02 0.00 1.87 0.00 0.00 56.30 58.16 1j4a h ASN 317 Cb 0.12 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.55 1j4a h ASN 317 CO -0.03 0.62 0.37 0.25 -0.37 0.00 0.00 177.43 178.28 1j4a h LEU 318 N 0.35 0.59 0.30 0.34 5.85 -0.66 -1.49 115.31 120.59 1j4a h LEU 318 Ca 0.10 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1j4a h LEU 318 Cb 0.33 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1j4a h LEU 318 CO 0.00 0.42 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.05 1j4a h GLU 319 N 0.69 -0.38 -0.18 1.25 5.08 -0.75 -0.63 114.58 119.66 1j4a h GLU 319 Ca 0.22 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 1j4a h GLU 319 Cb 0.03 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 1j4a h GLU 319 CO -0.06 -0.15 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.28 1j4a h LEU 320 N -0.56 -1.45 -0.60 1.33 3.38 -0.65 0.60 115.31 117.35 1j4a h LEU 320 Ca -0.04 0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1j4a h LEU 320 Cb 0.41 0.59 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 1j4a h LEU 320 CO 0.07 -0.43 -0.12 0.58 0.09 0.00 0.00 178.44 178.63 1j4a h VAL 321 N -0.49 0.42 -0.06 1.22 2.07 -1.17 -0.36 116.25 117.89 1j4a h VAL 321 Ca 0.08 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1j4a h VAL 321 Cb 0.64 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1j4a h VAL 321 CO -0.44 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.53 1j4a n GLU 322 N -5.38 1.17 -1.82 1.57 1.02 -0.25 -4.86 120.64 112.07 1j4a n GLU 322 Ca 0.07 -0.25 -0.14 0.00 -0.02 0.00 0.00 57.16 56.82 1j4a n GLU 322 Cb 0.32 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.74 0.65 3.91 0.62 0.00 -0.14 -5.00 105.19 105.96 1j4a n GLY 323 Ca 0.08 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.91 3.61 0.03 1.61 1.02 0.13 -5.02 119.74 117.21 1j4a s LYS 324 Ca 0.00 -0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.62 1j4a s LYS 324 Cb 0.00 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.54 1j4a s LYS 324 CO 0.00 0.28 1.60 -2.00 -0.92 0.00 0.00 175.35 174.31 1j4a s GLU 325 N -3.41 4.21 0.56 1.68 2.12 -1.26 -4.07 118.70 118.53 1j4a s GLU 325 Ca 0.43 2.22 -0.21 0.00 0.36 0.00 0.00 54.97 57.77 1j4a s GLU 325 Cb -0.11 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 1j4a s GLU 325 CO 0.29 -0.73 1.30 0.00 -0.54 0.00 0.00 175.26 175.58 1j4a s ALA 326 N 2.93 2.72 -0.01 6.30 0.00 -1.26 -4.91 121.76 127.53 1j4a s ALA 326 Ca 0.72 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 53.66 1j4a s ALA 326 Cb -0.36 -3.52 -0.19 0.00 0.00 0.00 0.00 23.12 19.04 1j4a s ALA 326 CO 0.30 -1.28 1.19 0.93 0.00 0.00 0.00 175.76 176.90 1j4a h GLU 327 N 1.29 0.25 -2.45 0.00 5.08 -1.92 -3.39 114.58 113.43 1j4a h GLU 327 Ca -0.51 -0.18 -0.59 0.00 -1.00 0.00 0.00 59.36 57.08 1j4a h GLU 327 Cb 1.30 0.03 -0.39 0.00 0.50 0.00 0.00 28.75 30.19 1j4a h GLU 327 CO 0.57 0.81 -0.88 0.25 -1.00 0.00 0.00 179.01 178.76 1j4a n THR 328 N -4.54 -0.25 -2.23 1.13 -2.24 -1.26 -5.11 114.28 99.78 1j4a n THR 328 Ca -0.08 -3.96 -0.33 0.00 -2.27 0.00 0.00 64.05 57.40 1j4a n THR 328 Cb 0.43 -1.85 -0.00 0.00 -2.10 0.00 0.00 70.33 66.80 1j4a n THR 328 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1j4a s PRO 329 N -0.66 3.48 0.06 -0.78 0.02 -1.26 -2.04 135.00 133.82 1j4a s PRO 329 Ca 0.32 1.29 0.03 0.00 0.02 0.00 0.00 61.00 62.67 1j4a s PRO 329 Cb 0.05 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 1j4a s PRO 329 CO -0.17 -0.69 0.01 0.08 -0.33 0.00 0.00 177.00 175.90 1j4a s VAL 330 N -2.24 4.12 -0.34 3.83 1.01 0.72 -4.78 120.40 122.72 1j4a s VAL 330 Ca 0.66 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 1j4a s VAL 330 Cb -0.17 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1j4a s VAL 330 CO 0.30 0.21 0.85 -0.54 0.00 0.00 0.00 175.10 175.93 1j4a s LYS 331 N -2.05 3.86 0.00 2.72 1.02 -1.26 -4.55 119.74 119.48 1j4a s LYS 331 Ca 0.24 0.53 0.15 0.00 0.02 0.00 0.00 55.97 56.91 1j4a s LYS 331 Cb -0.12 -3.78 0.12 0.00 -0.52 0.00 0.00 37.83 33.54 1j4a s LYS 331 CO 0.16 -0.83 0.98 1.55 -0.92 0.00 0.00 175.35 176.28