#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqj s LYS 2 N 0.00 0.77 0.16 3.17 -2.85 -1.08 0.16 119.74 120.07 1jqj s LYS 2 Ca 0.00 0.88 -0.22 0.00 -1.00 0.00 0.00 55.97 55.63 1jqj s LYS 2 Cb 0.00 0.38 0.06 0.00 -2.06 0.00 0.00 37.83 36.21 1jqj s LYS 2 CO 0.00 -0.10 0.58 -0.59 0.10 0.00 0.00 175.35 175.35 1jqj s PHE 3 N 0.29 -0.49 -0.13 1.78 -0.12 -0.39 -0.04 117.98 118.89 1jqj s PHE 3 Ca 0.00 0.26 -0.08 0.00 -0.05 0.00 0.00 56.93 57.06 1jqj s PHE 3 Cb -0.05 0.54 0.04 0.00 -0.63 0.00 0.00 43.02 42.92 1jqj s PHE 3 CO -0.00 -0.85 0.31 0.99 -0.05 0.00 0.00 175.22 175.62 1jqj s THR 4 N -3.76 -0.02 0.09 -4.49 2.01 -1.15 -1.22 115.64 107.10 1jqj s THR 4 Ca 0.02 0.08 -0.25 0.00 0.31 0.00 0.00 61.69 61.85 1jqj s THR 4 Cb -0.01 -0.46 0.08 0.00 0.01 0.00 0.00 72.50 72.12 1jqj s THR 4 CO -0.12 0.03 0.69 0.68 -0.69 0.00 0.00 174.62 175.22 1jqj s VAL 5 N 0.92 0.00 0.79 3.82 -7.23 -0.96 -4.13 120.40 113.62 1jqj s VAL 5 Ca -0.06 0.00 -0.10 0.00 -1.81 0.00 0.00 61.98 60.01 1jqj s VAL 5 Cb -0.07 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.91 1jqj s VAL 5 CO -0.07 0.00 -0.08 -0.62 -0.31 0.00 0.00 175.10 174.02 1jqj n GLU 6 N -0.22 -0.97 -0.25 4.82 -0.58 -1.26 -1.64 120.64 120.54 1jqj n GLU 6 Ca -0.15 -0.29 0.12 0.00 -0.42 0.00 0.00 57.16 56.42 1jqj n GLU 6 Cb 0.63 -1.21 0.26 0.00 -0.57 0.00 0.00 31.44 30.55 1jqj n GLU 6 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1jqj n ARG 7 N 0.41 2.52 -0.11 3.49 0.63 -0.97 -4.19 116.66 118.45 1jqj n ARG 7 Ca 0.02 -2.33 -0.23 0.00 -0.92 0.00 0.00 57.85 54.40 1jqj n ARG 7 Cb 0.27 -1.52 -0.08 0.00 0.45 0.00 0.00 32.46 31.58 1jqj n ARG 7 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1jqj n GLU 8 N 1.46 0.51 0.00 -0.14 -0.58 -1.26 -3.22 120.64 117.41 1jqj n GLU 8 Ca 0.21 0.22 0.03 0.00 -0.42 0.00 0.00 57.16 57.20 1jqj n GLU 8 Cb 0.59 -1.36 0.18 0.00 -0.57 0.00 0.00 31.44 30.27 1jqj n GLU 8 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1jqj n HIS 9 N -4.15 0.00 -0.01 -0.32 8.25 -1.26 -3.21 115.22 114.52 1jqj n HIS 9 Ca -0.41 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.03 1jqj n HIS 9 Cb 0.77 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.87 1jqj n HIS 9 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1jqj n LEU 10 N -0.74 0.15 -0.10 2.41 7.94 -1.26 -4.55 117.00 120.85 1jqj n LEU 10 Ca 0.04 0.02 -0.06 0.00 -1.11 0.00 0.00 56.01 54.90 1jqj n LEU 10 Cb 0.02 -0.05 0.01 0.00 0.53 0.00 0.00 43.42 43.94 1jqj n LEU 10 CO 0.03 0.04 0.92 0.25 -1.11 0.00 0.00 177.39 177.52 1jqj h LEU 11 N -0.05 0.07 0.31 -1.96 6.46 -1.51 0.82 115.31 119.44 1jqj h LEU 11 Ca -0.04 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1jqj h LEU 11 Cb 1.03 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 1jqj h LEU 11 CO -0.02 0.08 -0.28 0.11 -0.62 0.00 0.00 178.44 177.70 1jqj h LYS 12 N 0.23 -0.59 0.01 1.25 1.79 -1.84 0.29 116.57 117.70 1jqj h LYS 12 Ca 0.16 0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.68 1jqj h LYS 12 Cb 0.16 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1jqj h LYS 12 CO -0.19 -0.39 -0.06 -1.35 -1.08 0.00 0.00 179.45 176.38 1jqj h PRO 13 N -0.61 -0.11 0.00 3.15 0.11 -1.71 -1.29 132.00 131.55 1jqj h PRO 13 Ca -0.02 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1jqj h PRO 13 Cb 0.55 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1jqj h PRO 13 CO -0.04 -0.07 0.00 -0.11 -0.21 0.00 0.00 178.00 177.57 1jqj n LEU 14 N -5.18 0.37 -0.02 2.35 7.94 0.28 -1.82 117.00 120.92 1jqj n LEU 14 Ca -0.06 0.66 -0.19 0.00 -1.11 0.00 0.00 56.01 55.31 1jqj n LEU 14 Cb 0.11 -0.70 -0.14 0.00 0.53 0.00 0.00 43.42 43.22 1jqj n LEU 14 CO 0.30 -0.75 -0.85 1.67 -1.11 0.00 0.00 177.39 176.65 1jqj n GLN 15 N -1.99 0.73 0.06 1.96 7.27 0.98 -3.83 117.38 122.57 1jqj n GLN 15 Ca -0.01 0.25 -0.10 0.00 0.07 0.00 0.00 57.00 57.21 1jqj n GLN 15 Cb 0.04 -1.69 0.02 0.00 2.41 0.00 0.00 30.24 31.02 1jqj n GLN 15 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1jqj h GLN 16 N 0.05 0.38 0.00 3.69 5.75 -0.60 0.17 115.11 124.55 1jqj h GLN 16 Ca -0.43 -0.33 -0.12 0.00 -0.15 0.00 0.00 58.65 57.61 1jqj h GLN 16 Cb 2.02 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 30.63 1jqj h GLN 16 CO 0.07 0.98 -0.59 0.28 -2.65 0.00 0.00 178.83 176.92 1jqj h VAL 17 N 0.25 1.35 -0.08 2.39 2.07 -1.56 -3.18 116.25 117.49 1jqj h VAL 17 Ca -0.04 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1jqj h VAL 17 Cb 1.36 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1jqj h VAL 17 CO 0.13 0.58 0.00 -1.54 0.02 0.00 0.00 177.57 176.76 1jqj n SER 18 N -3.72 2.00 0.05 0.57 3.41 -1.23 -4.12 113.62 110.57 1jqj n SER 18 Ca -0.01 -1.54 -0.09 0.00 -0.26 0.00 0.00 58.87 56.98 1jqj n SER 18 Cb 0.61 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 1jqj n SER 18 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jqj h GLY 19 N 1.68 -1.22 0.94 5.00 0.00 -0.64 -3.01 103.07 105.82 1jqj h GLY 19 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 47.33 47.96 1jqj h GLY 19 CO 0.00 -0.37 0.41 -0.56 0.00 0.00 0.00 176.54 176.02 1jqj h PRO 20 N -0.38 0.79 -7.51 4.80 0.13 -1.85 -3.43 132.00 124.56 1jqj h PRO 20 Ca 0.00 -0.05 -0.45 0.00 -0.87 0.00 0.00 66.00 64.63 1jqj h PRO 20 Cb 0.40 -0.18 0.15 0.00 0.13 0.00 0.00 31.00 31.50 1jqj h PRO 20 CO -0.17 0.53 0.27 -0.48 -0.23 0.00 0.00 178.00 177.92 1jqj s LEU 21 N -10.17 1.81 0.00 1.56 0.05 -1.14 -5.01 118.68 105.79 1jqj s LEU 21 Ca -0.13 0.83 0.00 0.00 0.05 0.00 0.00 54.13 54.88 1jqj s LEU 21 Cb 0.14 -2.98 0.00 0.00 -2.05 0.00 0.00 46.19 41.30 1jqj s LEU 21 CO 0.76 -2.94 0.00 0.61 -0.55 0.00 0.00 176.35 174.23 1jqj n GLY 22 N -2.07 2.69 0.00 -3.48 0.00 -1.26 -4.92 105.19 96.15 1jqj n GLY 22 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1jqj n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqj n GLY 23 N 0.00 -0.71 2.77 -0.02 0.00 -1.26 -5.00 105.19 100.98 1jqj n GLY 23 Ca 0.00 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1jqj n GLY 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jqj n ARG 24 N 0.00 4.06 -1.00 1.61 0.63 -1.26 -5.07 116.66 115.63 1jqj n ARG 24 Ca 0.00 -4.74 -0.37 0.00 -0.92 0.00 0.00 57.85 51.82 1jqj n ARG 24 Cb 0.00 -2.35 0.04 0.00 0.45 0.00 0.00 32.46 30.60 1jqj n ARG 24 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1jqj n PRO 25 N 0.13 -0.01 0.00 -0.14 -0.02 -1.26 -4.97 135.00 128.74 1jqj n PRO 25 Ca 0.36 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1jqj n PRO 25 Cb 0.34 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 1jqj n PRO 25 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1jqj n THR 26 N -2.72 0.00 -2.07 3.45 -1.04 -1.26 -4.83 114.28 105.81 1jqj n THR 26 Ca -0.02 0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.68 1jqj n THR 26 Cb 0.60 -0.68 0.02 0.00 -1.82 0.00 0.00 70.33 68.45 1jqj n THR 26 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1jqj s LEU 27 N 0.00 3.58 0.57 -4.42 2.34 -1.26 -4.90 118.68 114.59 1jqj s LEU 27 Ca 0.00 2.01 0.38 0.00 0.06 0.00 0.00 54.13 56.58 1jqj s LEU 27 Cb 0.00 -4.56 2.02 0.00 -0.56 0.00 0.00 46.19 43.09 1jqj s LEU 27 CO 0.00 -1.30 2.17 1.55 -1.06 0.00 0.00 176.35 177.70 1jqj h PRO 28 N 0.66 0.00 0.00 1.48 0.13 -2.00 -2.17 132.00 130.10 1jqj h PRO 28 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1jqj h PRO 28 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1jqj h PRO 28 CO 0.56 0.00 -0.67 0.97 -0.23 0.00 0.00 178.00 178.64 1jqj h ILE 29 N 0.00 1.40 0.00 -3.56 6.09 -1.95 -3.17 117.51 116.33 1jqj h ILE 29 Ca 0.00 -2.34 -0.04 0.00 -1.37 0.00 0.00 64.86 61.11 1jqj h ILE 29 Cb 0.07 2.28 -0.01 0.00 0.47 0.00 0.00 36.82 39.64 1jqj h ILE 29 CO 0.00 0.65 -0.21 -0.07 -3.07 0.00 0.00 178.15 175.45 1jqj h LEU 30 N 0.00 0.00 -2.77 2.19 3.38 -1.72 -2.94 115.31 113.44 1jqj h LEU 30 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jqj h LEU 30 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1jqj h LEU 30 CO 0.09 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1jqj n GLY 31 N 0.55 2.49 3.69 0.83 0.00 -1.20 -4.71 105.19 106.83 1jqj n GLY 31 Ca 0.01 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1jqj n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jqj s ASN 32 N -0.98 4.97 0.51 1.61 -0.87 -1.11 -1.87 114.94 117.20 1jqj s ASN 32 Ca 0.50 -0.26 0.01 0.00 -1.57 0.00 0.00 52.86 51.54 1jqj s ASN 32 Cb 0.27 -1.15 0.02 0.00 -0.02 0.00 0.00 41.25 40.37 1jqj s ASN 32 CO 0.32 0.13 0.73 -0.76 -2.57 0.00 0.00 177.10 174.95 1jqj s LEU 33 N -2.65 3.41 -0.24 0.60 1.43 0.06 -4.69 118.68 116.60 1jqj s LEU 33 Ca 0.27 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1jqj s LEU 33 Cb -0.11 -2.94 0.04 0.00 0.03 0.00 0.00 46.19 43.21 1jqj s LEU 33 CO 0.19 -0.99 -0.12 -0.22 0.23 0.00 0.00 176.35 175.45 1jqj s LEU 34 N -4.67 3.03 -0.17 1.79 2.96 -0.27 -3.22 118.68 118.12 1jqj s LEU 34 Ca 0.54 -1.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.34 1jqj s LEU 34 Cb -0.10 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1jqj s LEU 34 CO 0.38 -0.12 0.06 -0.76 -1.32 0.00 0.00 176.35 174.58 1jqj s LEU 35 N 1.22 3.80 0.04 -0.68 1.43 0.30 -2.20 118.68 122.59 1jqj s LEU 35 Ca -0.02 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1jqj s LEU 35 Cb -0.17 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1jqj s LEU 35 CO -0.07 0.20 -0.04 -1.10 0.23 0.00 0.00 176.35 175.57 1jqj s GLN 36 N 0.24 0.46 -0.05 1.70 -0.21 -1.17 -1.21 119.66 119.41 1jqj s GLN 36 Ca 0.04 -0.85 -0.02 0.00 0.02 0.00 0.00 55.36 54.55 1jqj s GLN 36 Cb -0.12 0.06 0.04 0.00 1.00 0.00 0.00 33.01 33.98 1jqj s GLN 36 CO 0.00 -0.05 0.12 0.08 -2.12 0.00 0.00 175.29 173.32 1jqj s VAL 37 N -2.27 -0.06 -0.20 1.09 1.01 -1.01 -1.39 120.40 117.57 1jqj s VAL 37 Ca -0.07 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1jqj s VAL 37 Cb -0.04 -0.20 0.15 0.00 0.00 0.00 0.00 36.38 36.29 1jqj s VAL 37 CO -0.04 0.08 1.15 0.00 0.00 0.00 0.00 175.10 176.30 1jqj s ALA 38 N 1.17 -2.02 -1.24 5.51 0.00 -0.80 -3.38 121.76 121.01 1jqj s ALA 38 Ca -0.09 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1jqj s ALA 38 Cb -0.12 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1jqj s ALA 38 CO -0.05 -0.34 0.00 -0.25 0.00 0.00 0.00 175.76 175.12 1jqj n ASP 39 N 0.50 -3.15 -0.14 0.00 9.92 -1.26 -0.45 116.55 121.97 1jqj n ASP 39 Ca -0.05 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1jqj n ASP 39 Cb 0.58 -2.98 0.00 0.00 -0.64 0.00 0.00 41.12 38.08 1jqj n ASP 39 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jqj n GLY 40 N -0.25 0.61 3.04 0.44 0.00 -1.26 -5.03 105.19 102.74 1jqj n GLY 40 Ca -0.12 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1jqj n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jqj s THR 41 N -2.28 -0.04 -0.19 2.61 -1.32 0.41 -2.06 115.64 112.77 1jqj s THR 41 Ca 0.00 0.15 -0.13 0.00 -1.21 0.00 0.00 61.69 60.50 1jqj s THR 41 Cb 0.00 -0.37 -0.05 0.00 -1.51 0.00 0.00 72.50 70.58 1jqj s THR 41 CO 0.00 0.06 0.26 -0.22 -2.21 0.00 0.00 174.62 172.51 1jqj s LEU 42 N 1.23 4.20 -0.22 9.08 2.96 0.17 -1.91 118.68 134.20 1jqj s LEU 42 Ca -0.09 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1jqj s LEU 42 Cb -0.10 -2.31 0.04 0.00 0.50 0.00 0.00 46.19 44.32 1jqj s LEU 42 CO -0.08 0.08 -0.14 -0.94 -1.32 0.00 0.00 176.35 173.94 1jqj s SER 43 N 0.64 3.82 0.15 3.68 1.04 -0.48 -0.81 113.70 121.73 1jqj s SER 43 Ca 0.14 -1.06 -0.16 0.00 0.48 0.00 0.00 55.95 55.35 1jqj s SER 43 Cb -0.13 -1.48 -0.07 0.00 0.10 0.00 0.00 66.02 64.44 1jqj s SER 43 CO 0.04 -0.12 0.59 -0.76 0.98 0.00 0.00 173.24 173.97 1jqj s LEU 44 N 1.21 4.38 -0.10 2.42 1.02 -0.45 -3.03 118.68 124.13 1jqj s LEU 44 Ca -0.03 1.18 -0.04 0.00 0.02 0.00 0.00 54.13 55.26 1jqj s LEU 44 Cb -0.17 -3.26 0.05 0.00 0.02 0.00 0.00 46.19 42.83 1jqj s LEU 44 CO -0.08 0.12 0.22 -0.89 0.02 0.00 0.00 176.35 175.74 1jqj s THR 45 N -1.40 -0.17 0.14 5.49 2.01 -0.94 -1.09 115.64 119.67 1jqj s THR 45 Ca 0.37 0.22 0.10 0.00 0.31 0.00 0.00 61.69 62.69 1jqj s THR 45 Cb -0.16 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 1jqj s THR 45 CO 0.19 0.09 -0.23 -0.83 -0.69 0.00 0.00 174.62 173.15 1jqj s GLY 46 N 1.70 1.48 -0.01 4.40 0.00 -0.21 -1.11 107.32 113.57 1jqj s GLY 46 Ca -0.05 -1.44 -0.29 0.00 0.00 0.00 0.00 44.72 42.94 1jqj s GLY 46 CO -0.08 -1.44 0.68 -1.08 0.00 0.00 0.00 173.10 171.18 1jqj s THR 47 N -1.33 0.00 -0.09 0.90 -1.32 -1.26 -1.91 115.64 110.63 1jqj s THR 47 Ca 0.13 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.75 1jqj s THR 47 Cb -0.09 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.18 1jqj s THR 47 CO 0.06 0.00 1.13 -0.90 -2.21 0.00 0.00 174.62 172.70 1jqj n ASP 48 N 0.62 1.30 -3.76 8.08 5.75 -0.97 -4.80 116.55 122.78 1jqj n ASP 48 Ca -0.18 -2.77 -0.29 0.00 -0.01 0.00 0.00 54.79 51.54 1jqj n ASP 48 Cb 0.59 -0.37 0.01 0.00 -1.03 0.00 0.00 41.12 40.32 1jqj n ASP 48 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jqj n LEU 49 N -0.58 -2.17 0.00 -2.12 4.77 -1.26 -4.61 117.00 111.03 1jqj n LEU 49 Ca 0.10 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1jqj n LEU 49 Cb 0.78 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.46 1jqj n LEU 49 CO -0.02 0.35 0.00 1.21 -1.33 0.00 0.00 177.39 177.60 1jqj n GLU 50 N -4.36 0.00 -3.98 3.23 2.13 -1.26 -5.05 120.64 111.36 1jqj n GLU 50 Ca 0.03 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.75 1jqj n GLU 50 Cb 0.53 -0.07 -0.07 0.00 0.27 0.00 0.00 31.44 32.10 1jqj n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jqj s MET 51 N -1.83 1.13 -0.20 5.31 0.23 -1.26 -0.76 119.30 121.92 1jqj s MET 51 Ca 0.00 -1.20 -0.11 0.00 -1.03 0.00 0.00 55.69 53.36 1jqj s MET 51 Cb 0.00 0.36 0.07 0.00 -1.53 0.00 0.00 34.83 33.73 1jqj s MET 51 CO 0.00 -0.40 0.48 -1.83 -2.03 0.00 0.00 175.02 171.24 1jqj s GLU 52 N -3.97 0.46 0.06 3.16 -1.05 0.11 -2.28 118.70 115.19 1jqj s GLU 52 Ca 0.18 0.94 -0.06 0.00 -0.15 0.00 0.00 54.97 55.87 1jqj s GLU 52 Cb 0.04 0.08 -0.05 0.00 -0.44 0.00 0.00 34.13 33.76 1jqj s GLU 52 CO 0.00 -0.17 0.32 -1.64 0.95 0.00 0.00 175.26 174.73 1jqj s MET 53 N 1.64 3.63 -0.15 -4.83 -1.94 -0.80 -2.11 119.30 114.73 1jqj s MET 53 Ca -0.09 -0.04 -0.04 0.00 -1.71 0.00 0.00 55.69 53.81 1jqj s MET 53 Cb -0.08 -3.00 0.06 0.00 2.01 0.00 0.00 34.83 33.83 1jqj s MET 53 CO -0.15 0.58 0.14 0.08 -0.01 0.00 0.00 175.02 175.66 1jqj s VAL 54 N -1.43 -0.20 0.04 -6.03 1.01 -1.08 -1.04 120.40 111.67 1jqj s VAL 54 Ca 0.33 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 1jqj s VAL 54 Cb -0.13 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 1jqj s VAL 54 CO 0.20 -0.12 0.39 0.00 0.00 0.00 0.00 175.10 175.57 1jqj s ALA 55 N 2.23 3.72 -0.16 5.51 0.00 -0.25 -2.43 121.76 130.38 1jqj s ALA 55 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 1jqj s ALA 55 Cb -0.15 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 1jqj s ALA 55 CO -0.09 0.54 -0.13 1.03 0.00 0.00 0.00 175.76 177.11 1jqj s ARG 56 N -1.54 3.28 -0.09 0.00 1.81 -1.20 -1.34 118.95 119.88 1jqj s ARG 56 Ca 0.28 -0.71 -0.01 0.00 -1.72 0.00 0.00 55.73 53.57 1jqj s ARG 56 Cb -0.15 -2.69 0.03 0.00 -0.45 0.00 0.00 34.95 31.68 1jqj s ARG 56 CO 0.15 0.02 -0.03 0.08 -0.68 0.00 0.00 175.30 174.85 1jqj s VAL 57 N 0.82 0.64 -0.18 3.52 1.01 0.01 -4.92 120.40 121.30 1jqj s VAL 57 Ca -0.04 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 1jqj s VAL 57 Cb -0.15 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1jqj s VAL 57 CO 0.00 0.30 1.21 0.00 0.00 0.00 0.00 175.10 176.62 1jqj s ALA 58 N 1.86 3.67 -0.55 5.51 0.00 -1.26 0.45 121.76 131.44 1jqj s ALA 58 Ca 0.05 0.40 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 1jqj s ALA 58 Cb -0.12 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1jqj s ALA 58 CO -0.06 -1.14 1.42 -0.51 0.00 0.00 0.00 175.76 175.46 1jqj s LEU 59 N 3.43 3.41 -0.01 0.00 1.43 -0.87 -4.89 118.68 121.18 1jqj s LEU 59 Ca 0.52 0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 53.72 1jqj s LEU 59 Cb -0.20 -3.08 -0.15 0.00 0.03 0.00 0.00 46.19 42.79 1jqj s LEU 59 CO 0.13 -1.70 1.02 -0.37 0.23 0.00 0.00 176.35 175.66 1jqj h VAL 60 N 6.39 0.47 -3.99 -1.59 -1.51 -1.88 -3.46 116.25 110.69 1jqj h VAL 60 Ca -0.27 -0.66 -0.45 0.00 -1.23 0.00 0.00 66.70 64.10 1jqj h VAL 60 Cb 1.09 0.72 0.15 0.00 -2.13 0.00 0.00 31.29 31.13 1jqj h VAL 60 CO 1.17 0.10 0.26 -1.10 -1.23 0.00 0.00 177.57 176.77 1jqj s GLN 61 N -4.15 0.41 -0.05 5.19 -0.21 -1.26 -4.92 119.66 114.67 1jqj s GLN 61 Ca -0.13 0.13 -0.39 0.00 0.02 0.00 0.00 55.36 54.99 1jqj s GLN 61 Cb 0.01 -1.77 -0.19 0.00 1.00 0.00 0.00 33.01 32.06 1jqj s GLN 61 CO 0.45 -2.66 1.08 -2.30 -2.12 0.00 0.00 175.29 169.74 1jqj n PRO 62 N -4.06 0.00 -4.34 2.91 -0.02 -1.26 -4.70 135.00 123.53 1jqj n PRO 62 Ca 0.09 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.40 1jqj n PRO 62 Cb 0.59 -1.44 -0.10 0.00 -0.02 0.00 0.00 33.50 32.53 1jqj n PRO 62 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1jqj s HIS 63 N 0.32 1.60 -0.28 6.00 -3.43 -1.26 -2.95 115.29 115.29 1jqj s HIS 63 Ca 0.89 -1.04 -0.23 0.00 -0.80 0.00 0.00 55.06 53.87 1jqj s HIS 63 Cb -1.24 -0.96 0.11 0.00 -1.43 0.00 0.00 32.58 29.06 1jqj s HIS 63 CO 0.57 -0.17 0.94 -1.21 -2.00 0.00 0.00 174.74 172.87 1jqj s GLU 64 N -3.94 0.56 0.81 -0.38 0.41 0.95 -4.93 118.70 112.18 1jqj s GLU 64 Ca 0.34 0.73 -0.16 0.00 -0.41 0.00 0.00 54.97 55.46 1jqj s GLU 64 Cb 0.07 0.24 -0.08 0.00 -1.78 0.00 0.00 34.13 32.58 1jqj s GLU 64 CO 0.12 -0.08 -0.05 -2.30 -0.49 0.00 0.00 175.26 172.46 1jqj n PRO 65 N 2.69 0.04 0.00 0.39 -0.02 -1.26 -2.64 135.00 134.20 1jqj n PRO 65 Ca -0.14 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1jqj n PRO 65 Cb 0.56 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1jqj n PRO 65 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jqj n GLY 66 N 2.38 4.28 2.72 -1.23 0.00 -1.22 -2.88 105.19 109.25 1jqj n GLY 66 Ca 0.05 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1jqj n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqj s ALA 67 N -2.00 0.61 0.10 4.61 0.00 -1.26 -2.41 121.76 121.42 1jqj s ALA 67 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.81 1jqj s ALA 67 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1jqj s ALA 67 CO 0.00 -0.66 -0.07 -0.08 0.00 0.00 0.00 175.76 174.95 1jqj s THR 68 N 2.02 0.76 -0.56 0.00 -1.32 -0.35 -4.21 115.64 111.98 1jqj s THR 68 Ca 0.04 -1.93 0.04 0.00 -1.21 0.00 0.00 61.69 58.63 1jqj s THR 68 Cb -0.13 -1.68 0.14 0.00 -1.51 0.00 0.00 72.50 69.32 1jqj s THR 68 CO -0.06 -0.84 0.33 -0.89 -2.21 0.00 0.00 174.62 170.95 1jqj s THR 69 N -3.52 2.42 0.33 5.08 2.01 -1.01 -0.54 115.64 120.42 1jqj s THR 69 Ca 0.12 -3.48 -0.04 0.00 0.31 0.00 0.00 61.69 58.61 1jqj s THR 69 Cb 0.04 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 1jqj s THR 69 CO -0.04 -0.89 0.58 0.68 -0.69 0.00 0.00 174.62 174.26 1jqj s VAL 70 N -0.54 5.03 0.86 3.82 -7.23 -1.20 -2.00 120.40 119.14 1jqj s VAL 70 Ca 0.20 -0.05 -0.12 0.00 -1.81 0.00 0.00 61.98 60.19 1jqj s VAL 70 Cb -0.18 -3.78 0.10 0.00 0.56 0.00 0.00 36.38 33.08 1jqj s VAL 70 CO -0.06 -0.44 1.07 -2.65 -0.31 0.00 0.00 175.10 172.71 1jqj n PRO 71 N -1.31 -0.11 -0.06 4.82 -0.02 -1.26 -0.76 135.00 136.30 1jqj n PRO 71 Ca -0.02 0.04 -0.04 0.00 -2.02 0.00 0.00 63.50 61.46 1jqj n PRO 71 Cb 0.55 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1jqj n PRO 71 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jqj n ALA 72 N -3.66 0.39 -0.14 3.55 0.00 -0.78 -3.45 120.51 116.42 1jqj n ALA 72 Ca 0.12 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 1jqj n ALA 72 Cb 0.51 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 1jqj n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqj h ARG 73 N -0.79 -0.35 0.00 0.00 2.47 -1.95 -1.35 114.38 112.41 1jqj h ARG 73 Ca 0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1jqj h ARG 73 Cb 0.45 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1jqj h ARG 73 CO 0.00 -0.23 0.00 1.63 0.56 0.00 0.00 179.97 181.93 1jqj n LYS 74 N -5.23 0.00 -0.23 0.04 5.02 -1.26 -2.00 118.16 114.49 1jqj n LYS 74 Ca -0.03 0.62 0.30 0.00 -2.02 0.00 0.00 58.31 57.18 1jqj n LYS 74 Cb 0.32 -1.42 0.54 0.00 -0.02 0.00 0.00 35.03 34.46 1jqj n LYS 74 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1jqj h PHE 75 N 0.00 0.00 0.04 2.13 3.04 -1.55 -1.31 116.94 119.29 1jqj h PHE 75 Ca 0.00 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.75 1jqj h PHE 75 Cb 0.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1jqj h PHE 75 CO -0.20 0.00 -1.06 0.35 -2.02 0.00 0.00 178.31 175.38 1jqj h PHE 76 N 0.00 0.16 -0.22 0.41 3.57 -0.91 -3.31 116.94 116.64 1jqj h PHE 76 Ca 0.50 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.94 1jqj h PHE 76 Cb 2.73 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 41.41 1jqj h PHE 76 CO 0.00 1.41 -0.10 -0.44 -2.23 0.00 0.00 178.31 176.95 1jqj h ASP 77 N -0.74 -0.34 -0.15 0.41 3.32 -0.62 0.77 116.42 119.08 1jqj h ASP 77 Ca -0.26 0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1jqj h ASP 77 Cb 1.41 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 41.12 1jqj h ASP 77 CO -0.07 -0.13 -0.24 0.40 -1.72 0.00 0.00 179.24 177.48 1jqj h ILE 78 N -0.07 0.00 0.00 0.35 5.03 -1.65 2.18 117.51 123.35 1jqj h ILE 78 Ca 0.12 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.86 1jqj h ILE 78 Cb 0.25 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.04 1jqj h ILE 78 CO -0.27 0.00 -0.01 0.00 -0.68 0.00 0.00 178.15 177.19 1jqj h ARG 80 N 0.00 0.00 -2.03 0.00 1.12 0.77 -3.33 114.38 110.91 1jqj h ARG 80 Ca -0.00 0.00 -0.73 0.00 -1.11 0.00 0.00 59.98 58.14 1jqj h ARG 80 Cb 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 29.97 29.66 1jqj h ARG 80 CO 0.00 0.21 0.57 0.41 -3.11 0.00 0.00 179.97 178.05 1jqj n GLY 81 N 1.16 5.80 3.28 2.80 0.00 0.72 -4.98 105.19 113.99 1jqj n GLY 81 Ca 0.03 -2.59 -0.11 0.00 0.00 0.00 0.00 46.02 43.34 1jqj n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jqj s LEU 82 N -4.00 0.97 -0.19 0.99 1.43 -1.22 -4.89 118.68 111.77 1jqj s LEU 82 Ca 0.47 -1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 51.98 1jqj s LEU 82 Cb 0.34 0.68 -0.07 0.00 0.03 0.00 0.00 46.19 47.17 1jqj s LEU 82 CO -0.26 -0.91 2.18 -0.81 0.23 0.00 0.00 176.35 176.78 1jqj n PRO 83 N -0.30 2.01 -1.54 1.29 -0.04 -1.26 -4.85 135.00 130.31 1jqj n PRO 83 Ca 0.01 0.59 -0.37 0.00 -0.04 0.00 0.00 63.50 63.70 1jqj n PRO 83 Cb 0.65 -3.11 -0.05 0.00 -0.04 0.00 0.00 33.50 30.96 1jqj n PRO 83 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1jqj n GLU 84 N 8.46 0.90 0.00 0.54 0.28 -1.26 -0.18 120.64 129.37 1jqj n GLU 84 Ca 0.29 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 1jqj n GLU 84 Cb 0.41 -3.20 0.00 0.00 1.43 0.00 0.00 31.44 30.09 1jqj n GLU 84 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jqj n GLY 85 N 6.08 0.92 3.78 -1.84 0.00 -1.26 -5.09 105.19 107.77 1jqj n GLY 85 Ca 0.41 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 1jqj n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqj s ALA 86 N -0.65 3.02 0.30 4.61 0.00 0.75 -4.74 121.76 125.05 1jqj s ALA 86 Ca 0.00 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 1jqj s ALA 86 Cb 0.00 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1jqj s ALA 86 CO 0.00 -0.40 0.58 -1.21 0.00 0.00 0.00 175.76 174.73 1jqj s GLU 87 N -2.65 3.66 -0.13 0.00 8.01 -1.26 -2.29 118.70 124.04 1jqj s GLU 87 Ca 0.61 0.08 0.02 0.00 0.01 0.00 0.00 54.97 55.69 1jqj s GLU 87 Cb -0.24 -2.61 0.01 0.00 -4.31 0.00 0.00 34.13 26.98 1jqj s GLU 87 CO 0.30 0.19 -0.18 0.42 0.01 0.00 0.00 175.26 176.00 1jqj s ILE 88 N -2.10 1.76 -0.33 -1.63 1.09 -0.65 -4.16 121.20 115.17 1jqj s ILE 88 Ca 0.45 -0.79 -0.06 0.00 -1.10 0.00 0.00 60.65 59.15 1jqj s ILE 88 Cb -0.11 -1.58 0.04 0.00 -1.06 0.00 0.00 42.46 39.75 1jqj s ILE 88 CO 0.30 0.49 0.08 0.00 -0.10 0.00 0.00 174.94 175.71 1jqj s ALA 89 N 0.98 3.00 -0.11 9.38 0.00 -1.03 -2.26 121.76 131.72 1jqj s ALA 89 Ca -0.05 -1.75 -0.03 0.00 0.00 0.00 0.00 51.96 50.14 1jqj s ALA 89 Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1jqj s ALA 89 CO -0.03 -1.32 -0.01 0.08 0.00 0.00 0.00 175.76 174.48 1jqj s VAL 90 N 1.38 4.21 -0.12 0.00 1.01 -0.36 -1.75 120.40 124.76 1jqj s VAL 90 Ca -0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1jqj s VAL 90 Cb -0.20 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.44 1jqj s VAL 90 CO 0.02 0.56 0.29 0.00 0.00 0.00 0.00 175.10 175.97 1jqj s GLN 91 N -0.42 0.26 -0.59 2.72 -2.07 -0.07 -1.26 119.66 118.22 1jqj s GLN 91 Ca 0.08 0.58 -0.27 0.00 -1.82 0.00 0.00 55.36 53.92 1jqj s GLN 91 Cb -0.12 -0.08 0.01 0.00 -1.09 0.00 0.00 33.01 31.73 1jqj s GLN 91 CO 0.02 -0.15 1.53 -1.17 -1.32 0.00 0.00 175.29 174.20 1jqj s LEU 92 N 1.20 3.34 -0.95 2.60 2.96 0.12 -1.59 118.68 126.36 1jqj s LEU 92 Ca -0.09 0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 53.91 1jqj s LEU 92 Cb -0.09 -2.87 0.19 0.00 0.50 0.00 0.00 46.19 43.92 1jqj s LEU 92 CO -0.09 -1.90 1.02 -0.70 -1.32 0.00 0.00 176.35 173.37 1jqj s GLU 93 N 5.94 3.76 0.00 1.98 2.12 0.28 -4.36 118.70 128.41 1jqj s GLU 93 Ca 0.55 -2.36 0.00 0.00 0.36 0.00 0.00 54.97 53.51 1jqj s GLU 93 Cb -0.11 -4.69 0.00 0.00 0.26 0.00 0.00 34.13 29.58 1jqj s GLU 93 CO 0.23 -1.50 0.00 0.41 -0.54 0.00 0.00 175.26 173.85 1jqj n GLY 94 N 4.30 -0.03 0.51 -1.50 0.00 -1.26 -1.03 105.19 106.17 1jqj n GLY 94 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 1jqj n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jqj n GLU 95 N 0.00 0.00 -4.08 1.61 1.02 -1.26 -5.12 120.64 112.81 1jqj n GLU 95 Ca 0.00 -0.55 -0.08 0.00 -0.02 0.00 0.00 57.16 56.51 1jqj n GLU 95 Cb 0.00 -0.26 -0.10 0.00 -0.02 0.00 0.00 31.44 31.06 1jqj n GLU 95 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1jqj s ARG 96 N 0.00 0.58 -0.69 3.49 1.81 -0.20 -3.70 118.95 120.24 1jqj s ARG 96 Ca 0.00 -1.10 -0.08 0.00 -1.72 0.00 0.00 55.73 52.83 1jqj s ARG 96 Cb 0.00 0.11 0.18 0.00 -0.45 0.00 0.00 34.95 34.79 1jqj s ARG 96 CO -0.00 -0.08 0.56 1.41 -0.68 0.00 0.00 175.30 176.51 1jqj s MET 97 N -3.35 2.97 -0.02 3.54 -2.45 -0.09 -0.56 119.30 119.34 1jqj s MET 97 Ca 0.03 -2.43 -0.30 0.00 -1.25 0.00 0.00 55.69 51.74 1jqj s MET 97 Cb 0.03 -4.03 -0.05 0.00 1.25 0.00 0.00 34.83 32.04 1jqj s MET 97 CO -0.07 -1.22 1.34 -0.51 1.05 0.00 0.00 175.02 175.61 1jqj s LEU 98 N 0.17 4.30 0.29 4.11 2.01 -0.62 -2.37 118.68 126.56 1jqj s LEU 98 Ca 0.16 2.01 0.10 0.00 0.01 0.00 0.00 54.13 56.42 1jqj s LEU 98 Cb -0.17 -3.56 -0.05 0.00 0.01 0.00 0.00 46.19 42.42 1jqj s LEU 98 CO -0.05 -0.68 -0.09 -0.69 1.01 0.00 0.00 176.35 175.84 1jqj s VAL 99 N 2.41 2.81 -0.29 -1.59 1.01 -0.28 -0.89 120.40 123.58 1jqj s VAL 99 Ca 0.61 -2.16 0.02 0.00 0.00 0.00 0.00 61.98 60.46 1jqj s VAL 99 Cb -0.29 -2.59 0.18 0.00 0.00 0.00 0.00 36.38 33.68 1jqj s VAL 99 CO 0.25 -0.34 0.53 -0.13 0.00 0.00 0.00 175.10 175.40 1jqj s ARG 100 N -3.61 0.50 -0.91 2.72 0.52 -0.72 -2.67 118.95 114.79 1jqj s ARG 100 Ca 0.31 0.61 -0.02 0.00 -0.52 0.00 0.00 55.73 56.12 1jqj s ARG 100 Cb -0.04 0.13 0.24 0.00 0.52 0.00 0.00 34.95 35.80 1jqj s ARG 100 CO 0.17 -0.85 0.89 0.45 0.02 0.00 0.00 175.30 175.98 1jqj n SER 101 N 5.40 4.53 0.00 0.23 2.88 -1.08 -2.47 113.62 123.11 1jqj n SER 101 Ca 0.01 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.36 1jqj n SER 101 Cb 0.52 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1jqj n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jqj n GLY 102 N 2.05 1.20 0.00 0.46 0.00 -1.26 -2.58 105.19 105.06 1jqj n GLY 102 Ca 0.23 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1jqj n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jqj n ARG 103 N 0.00 0.00 -1.80 1.61 5.12 -1.26 -4.90 116.66 115.43 1jqj n ARG 103 Ca 0.00 -0.09 -0.42 0.00 -1.93 0.00 0.00 57.85 55.41 1jqj n ARG 103 Cb 0.00 -0.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.80 1jqj n ARG 103 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1jqj n SER 104 N 0.00 3.93 -4.76 0.55 7.64 -1.06 -4.92 113.62 115.00 1jqj n SER 104 Ca 0.00 -2.84 -0.36 0.00 1.01 0.00 0.00 58.87 56.68 1jqj n SER 104 Cb 0.29 -1.65 -0.07 0.00 -1.01 0.00 0.00 64.21 61.77 1jqj n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jqj s ARG 105 N 3.37 4.10 0.52 1.43 1.70 -1.26 -2.64 118.95 126.17 1jqj s ARG 105 Ca 0.48 -0.06 0.04 0.00 -0.47 0.00 0.00 55.73 55.73 1jqj s ARG 105 Cb 0.13 -3.38 0.01 0.00 -0.57 0.00 0.00 34.95 31.14 1jqj s ARG 105 CO -0.07 0.36 0.27 -0.06 -1.08 0.00 0.00 175.30 174.73 1jqj s PHE 106 N 0.14 1.81 -0.15 5.89 0.40 -1.09 -4.93 117.98 120.04 1jqj s PHE 106 Ca 0.13 -0.84 -0.04 0.00 -0.60 0.00 0.00 56.93 55.57 1jqj s PHE 106 Cb -0.12 -1.84 0.07 0.00 0.51 0.00 0.00 43.02 41.64 1jqj s PHE 106 CO 0.02 -0.21 0.26 0.45 0.70 0.00 0.00 175.22 176.44 1jqj s SER 107 N -4.13 0.57 -0.10 1.36 0.15 -1.26 -1.13 113.70 109.15 1jqj s SER 107 Ca 0.27 0.39 -0.04 0.00 0.70 0.00 0.00 55.95 57.27 1jqj s SER 107 Cb -0.01 0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1jqj s SER 107 CO 0.16 -0.26 0.06 -0.76 1.20 0.00 0.00 173.24 173.64 1jqj s LEU 108 N 2.41 3.90 0.20 3.45 1.43 -1.00 -4.85 118.68 124.22 1jqj s LEU 108 Ca 0.03 0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 1jqj s LEU 108 Cb -0.13 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 1jqj s LEU 108 CO -0.10 0.38 1.26 -0.94 0.23 0.00 0.00 176.35 177.18 1jqj s SER 109 N -0.87 6.98 -0.01 2.29 1.04 -1.26 -0.91 113.70 120.96 1jqj s SER 109 Ca 0.13 2.33 0.01 0.00 0.48 0.00 0.00 55.95 58.91 1jqj s SER 109 Cb -0.12 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.40 1jqj s SER 109 CO 0.03 -0.45 -0.02 0.42 0.98 0.00 0.00 173.24 174.19 1jqj s THR 110 N -0.02 0.21 0.19 2.02 -4.23 -1.24 -4.21 115.64 108.35 1jqj s THR 110 Ca 0.54 -0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.93 1jqj s THR 110 Cb -0.35 -0.21 -0.06 0.00 1.34 0.00 0.00 72.50 73.22 1jqj s THR 110 CO 0.38 0.08 0.45 -0.76 -0.54 0.00 0.00 174.62 174.23 1jqj s LEU 111 N 0.21 4.21 0.50 4.79 1.02 -0.85 -4.85 118.68 123.71 1jqj s LEU 111 Ca -0.02 0.68 -0.22 0.00 0.02 0.00 0.00 54.13 54.59 1jqj s LEU 111 Cb -0.04 -3.43 -0.07 0.00 0.02 0.00 0.00 46.19 42.66 1jqj s LEU 111 CO -0.01 -0.02 1.14 -0.81 0.02 0.00 0.00 176.35 176.67 1jqj n PRO 112 N -0.16 1.45 0.00 1.29 -0.04 -1.26 -2.39 135.00 133.88 1jqj n PRO 112 Ca -0.02 0.53 0.15 0.00 -0.04 0.00 0.00 63.50 64.12 1jqj n PRO 112 Cb 0.52 -2.28 0.76 0.00 -0.04 0.00 0.00 33.50 32.46 1jqj n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jqj n ALA 113 N -0.89 2.65 1.56 0.55 0.00 -1.26 -2.63 120.51 120.49 1jqj n ALA 113 Ca 0.10 -0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.41 1jqj n ALA 113 Cb 0.43 -1.43 0.43 0.00 0.00 0.00 0.00 19.45 18.88 1jqj n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqj n ALA 114 N -0.95 2.55 0.08 0.00 0.00 -1.26 -3.16 120.51 117.76 1jqj n ALA 114 Ca 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 53.44 53.29 1jqj n ALA 114 Cb 0.22 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 1jqj n ALA 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jqj n ASP 115 N -0.15 0.09 -4.77 0.00 10.43 -1.08 -5.04 116.55 116.03 1jqj n ASP 115 Ca 0.15 -0.55 -0.41 0.00 2.57 0.00 0.00 54.79 56.55 1jqj n ASP 115 Cb 0.21 0.98 -0.01 0.00 1.84 0.00 0.00 41.12 44.14 1jqj n ASP 115 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1jqj s PHE 116 N -1.13 2.78 -1.09 1.24 5.36 -1.19 -4.94 117.98 119.00 1jqj s PHE 116 Ca 0.01 1.13 -0.06 0.00 -0.96 0.00 0.00 56.93 57.05 1jqj s PHE 116 Cb 0.01 -3.93 0.30 0.00 -0.34 0.00 0.00 43.02 39.06 1jqj s PHE 116 CO 0.06 -2.82 1.34 -0.35 -1.46 0.00 0.00 175.22 172.00 1jqj n PRO 117 N 1.13 4.12 -2.48 10.12 -0.04 -1.26 -5.02 135.00 141.56 1jqj n PRO 117 Ca 0.03 -4.52 -0.41 0.00 -0.04 0.00 0.00 63.50 58.56 1jqj n PRO 117 Cb 0.40 -2.52 -0.04 0.00 -0.04 0.00 0.00 33.50 31.29 1jqj n PRO 117 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1jqj s ASN 118 N -0.62 7.23 -0.45 3.54 3.84 -1.26 -4.78 114.94 122.44 1jqj s ASN 118 Ca 0.31 2.14 -0.11 0.00 0.21 0.00 0.00 52.86 55.41 1jqj s ASN 118 Cb -0.01 -2.61 -0.10 0.00 -0.55 0.00 0.00 41.25 37.98 1jqj s ASN 118 CO 0.04 -0.24 1.47 0.18 -2.79 0.00 0.00 177.10 175.76 1jqj n LEU 119 N 2.23 -0.67 -2.92 3.21 4.77 -1.26 -4.67 117.00 117.69 1jqj n LEU 119 Ca 0.02 -1.80 -0.42 0.00 -0.03 0.00 0.00 56.01 53.79 1jqj n LEU 119 Cb 0.46 -1.05 -0.07 0.00 -2.33 0.00 0.00 43.42 40.43 1jqj n LEU 119 CO 0.54 -2.41 0.98 0.47 -1.33 0.00 0.00 177.39 175.64 1jqj n ASP 120 N 10.65 0.62 -4.01 -1.43 9.92 -1.26 -4.69 116.55 126.34 1jqj n ASP 120 Ca 0.18 0.58 -0.36 0.00 -0.53 0.00 0.00 54.79 54.66 1jqj n ASP 120 Cb 0.48 -0.59 0.03 0.00 -0.64 0.00 0.00 41.12 40.40 1jqj n ASP 120 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1jqj n ASP 121 N 3.99 -4.91 -3.53 -2.24 -0.08 -1.26 -5.05 116.55 103.47 1jqj n ASP 121 Ca 0.30 0.38 -0.17 0.00 -1.51 0.00 0.00 54.79 53.78 1jqj n ASP 121 Cb -0.03 -0.78 -0.08 0.00 2.34 0.00 0.00 41.12 42.57 1jqj n ASP 121 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 1jqj s TRP 122 N -1.95 1.51 -0.45 -0.67 1.48 -1.26 -5.16 118.94 112.43 1jqj s TRP 122 Ca 0.46 -1.53 -0.23 0.00 -1.06 0.00 0.00 56.10 53.74 1jqj s TRP 122 Cb -0.31 -0.57 0.03 0.00 -1.16 0.00 0.00 33.47 31.45 1jqj s TRP 122 CO 0.74 -0.86 0.77 -1.14 -4.06 0.00 0.00 176.95 172.40 1jqj s GLN 123 N -3.55 3.39 0.45 3.25 2.00 -1.26 -5.07 119.66 118.87 1jqj s GLN 123 Ca 0.39 -0.14 -0.25 0.00 -2.00 0.00 0.00 55.36 53.36 1jqj s GLN 123 Cb 0.03 -3.94 -0.08 0.00 0.80 0.00 0.00 33.01 29.81 1jqj s GLN 123 CO 0.23 -1.12 1.34 0.45 -0.50 0.00 0.00 175.29 175.70 1jqj n SER 124 N 6.69 2.85 0.00 6.67 2.88 -1.26 -3.89 113.62 127.55 1jqj n SER 124 Ca 0.02 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1jqj n SER 124 Cb 0.48 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1jqj n SER 124 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1jqj n GLU 125 N -0.20 0.26 -3.60 -1.46 1.02 -0.32 -4.94 120.64 111.39 1jqj n GLU 125 Ca 0.07 -0.47 -0.05 0.00 -0.02 0.00 0.00 57.16 56.69 1jqj n GLU 125 Cb 0.41 -0.68 -0.02 0.00 -0.02 0.00 0.00 31.44 31.14 1jqj n GLU 125 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jqj s VAL 126 N -0.15 0.00 -0.14 2.62 0.11 -1.06 -4.92 120.40 116.86 1jqj s VAL 126 Ca 0.00 -0.19 -0.31 0.00 -2.93 0.00 0.00 61.98 58.55 1jqj s VAL 126 Cb 0.00 -1.39 0.13 0.00 -1.53 0.00 0.00 36.38 33.59 1jqj s VAL 126 CO 0.00 0.00 1.06 -1.83 -3.33 0.00 0.00 175.10 171.00 1jqj s GLU 127 N -2.88 0.53 0.00 1.54 4.04 -1.26 -2.73 118.70 117.95 1jqj s GLU 127 Ca 0.09 -0.07 0.00 0.00 0.04 0.00 0.00 54.97 55.04 1jqj s GLU 127 Cb -0.00 0.25 0.00 0.00 0.02 0.00 0.00 34.13 34.39 1jqj s GLU 127 CO -0.05 -0.21 0.00 1.97 -1.84 0.00 0.00 175.26 175.14 1jqj n PHE 128 N 0.21 0.00 -4.45 4.83 1.16 -0.27 -4.98 117.46 113.95 1jqj n PHE 128 Ca -0.06 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.30 1jqj n PHE 128 Cb 0.59 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.36 1jqj n PHE 128 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1jqj s THR 129 N -2.00 0.93 0.00 1.97 2.01 -1.26 -0.24 115.64 117.05 1jqj s THR 129 Ca 0.00 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.00 1jqj s THR 129 Cb 0.00 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1jqj s THR 129 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1jqj n LEU 130 N -0.72 0.00 -4.02 4.42 -0.00 -1.09 -4.81 117.00 110.79 1jqj n LEU 130 Ca -0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.58 1jqj n LEU 130 Cb 0.66 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 44.08 1jqj n LEU 130 CO 0.40 0.00 -0.38 -2.65 -0.00 0.00 0.00 177.39 174.76 1jqj n PRO 131 N -0.16 0.00 0.13 1.47 -0.02 -1.26 -3.67 135.00 131.49 1jqj n PRO 131 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 1jqj n PRO 131 Cb 0.00 -0.93 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 1jqj n PRO 131 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1jqj h GLN 132 N 0.34 -0.40 -0.74 -0.52 4.20 -1.88 -2.57 115.11 113.54 1jqj h GLN 132 Ca -0.34 0.03 0.31 0.00 0.06 0.00 0.00 58.65 58.71 1jqj h GLN 132 Cb 1.35 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 29.09 1jqj h GLN 132 CO 0.44 -0.27 0.41 0.00 -0.67 0.00 0.00 178.83 178.74 1jqj n ALA 133 N -2.43 0.76 0.04 3.87 0.00 -1.26 0.13 120.51 121.62 1jqj n ALA 133 Ca -0.05 0.74 -0.13 0.00 0.00 0.00 0.00 53.44 54.00 1jqj n ALA 133 Cb 0.18 -0.75 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 1jqj n ALA 133 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jqj h THR 134 N 0.00 1.13 0.00 0.00 2.02 -1.84 -0.01 112.91 114.20 1jqj h THR 134 Ca 0.62 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1jqj h THR 134 Cb 1.66 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1jqj h THR 134 CO -0.55 0.23 0.00 0.80 0.37 0.00 0.00 175.52 176.37 1jqj n MET 135 N -4.94 0.17 -0.01 6.66 0.00 0.35 -2.09 117.12 117.27 1jqj n MET 135 Ca -0.09 0.55 -0.00 0.00 0.00 0.00 0.00 57.70 58.17 1jqj n MET 135 Cb 0.25 -1.94 -0.00 0.00 0.00 0.00 0.00 33.22 31.53 1jqj n MET 135 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1jqj h LYS 136 N 0.00 -0.01 -0.97 2.12 3.64 0.67 -3.34 116.57 118.69 1jqj h LYS 136 Ca 0.00 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 59.68 1jqj h LYS 136 Cb 0.16 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.81 1jqj h LYS 136 CO 0.00 -0.00 0.21 -0.09 -2.27 0.00 0.00 179.45 177.30 1jqj h ARG 137 N -0.23 0.06 -0.95 1.90 9.65 -0.83 1.00 114.38 124.99 1jqj h ARG 137 Ca -0.00 -0.00 0.21 0.00 -1.10 0.00 0.00 59.98 59.09 1jqj h ARG 137 Cb 0.01 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.50 1jqj h ARG 137 CO 0.00 0.04 0.62 -0.07 2.80 0.00 0.00 179.97 183.36 1jqj h LEU 138 N 0.06 0.46 0.02 3.80 3.38 -1.58 0.25 115.31 121.71 1jqj h LEU 138 Ca 0.65 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.68 1jqj h LEU 138 Cb 1.47 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1jqj h LEU 138 CO -0.82 0.17 -0.01 0.40 0.09 0.00 0.00 178.44 178.27 1jqj h ILE 139 N 0.45 0.00 -0.70 1.22 2.04 0.92 -3.33 117.51 118.10 1jqj h ILE 139 Ca 0.51 -0.09 0.18 0.00 1.00 0.00 0.00 64.86 66.46 1jqj h ILE 139 Cb 1.21 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.16 1jqj h ILE 139 CO -0.22 0.00 -0.05 -0.62 0.00 0.00 0.00 178.15 177.26 1jqj n GLU 140 N -2.32 -0.06 0.15 2.37 1.02 -0.90 0.69 120.64 121.59 1jqj n GLU 140 Ca -0.00 1.07 0.11 0.00 -0.02 0.00 0.00 57.16 58.31 1jqj n GLU 140 Cb 0.01 -1.66 0.55 0.00 -0.02 0.00 0.00 31.44 30.33 1jqj n GLU 140 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jqj n ALA 141 N -3.46 1.22 0.00 0.62 0.00 0.86 -3.85 120.51 115.90 1jqj n ALA 141 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1jqj n ALA 141 Cb 0.48 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1jqj n ALA 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jqj n THR 142 N -2.24 0.00 -0.33 0.00 -2.24 0.22 -4.70 114.28 104.99 1jqj n THR 142 Ca -0.00 -0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.98 1jqj n THR 142 Cb 0.09 0.14 0.42 0.00 -2.10 0.00 0.00 70.33 68.88 1jqj n THR 142 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1jqj h GLN 143 N 0.00 0.31 0.00 -0.78 4.15 -1.14 -0.84 115.11 116.81 1jqj h GLN 143 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1jqj h GLN 143 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1jqj h GLN 143 CO 0.00 0.21 0.00 0.27 -1.93 0.00 0.00 178.83 177.38 1jqj h PHE 144 N 0.32 0.00 -0.25 3.99 -5.15 -1.86 -2.90 116.94 111.10 1jqj h PHE 144 Ca 0.68 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.45 1jqj h PHE 144 Cb 1.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.66 1jqj h PHE 144 CO -0.07 0.00 0.00 0.45 -2.00 0.00 0.00 178.31 176.69 1jqj n SER 145 N -2.42 2.56 -4.71 -0.68 2.88 -0.32 -4.90 113.62 106.03 1jqj n SER 145 Ca 0.01 -1.85 -0.40 0.00 -1.33 0.00 0.00 58.87 55.30 1jqj n SER 145 Cb 0.19 -0.16 -0.05 0.00 -0.75 0.00 0.00 64.21 63.44 1jqj n SER 145 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jqj s MET 146 N -1.68 4.42 0.98 -1.46 0.23 -1.10 -2.02 119.30 118.67 1jqj s MET 146 Ca 0.35 0.85 -0.15 0.00 -1.03 0.00 0.00 55.69 55.71 1jqj s MET 146 Cb 0.20 -3.45 -0.03 0.00 -1.53 0.00 0.00 34.83 30.02 1jqj s MET 146 CO 0.29 0.06 -0.10 0.00 -2.03 0.00 0.00 175.02 173.23 1jqj n ALA 147 N 3.83 -3.81 -3.81 3.16 0.00 -1.14 -4.85 120.51 113.88 1jqj n ALA 147 Ca -0.02 -0.71 -0.27 0.00 0.00 0.00 0.00 53.44 52.45 1jqj n ALA 147 Cb 0.51 -1.52 -0.17 0.00 0.00 0.00 0.00 19.45 18.28 1jqj n ALA 147 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jqj s HIS 148 N -2.24 1.28 -1.37 0.00 5.04 -1.26 -4.42 115.29 112.31 1jqj s HIS 148 Ca 0.50 -0.84 -0.09 0.00 -1.54 0.00 0.00 55.06 53.10 1jqj s HIS 148 Cb -0.18 -1.12 0.01 0.00 0.04 0.00 0.00 32.58 31.33 1jqj s HIS 148 CO 0.73 -0.56 1.16 1.04 -2.34 0.00 0.00 174.74 174.77 1jqj n GLN 149 N 4.98 -7.83 -2.98 2.88 6.02 -1.26 -4.99 117.38 114.21 1jqj n GLN 149 Ca -0.10 0.83 -0.37 0.00 -0.01 0.00 0.00 57.00 57.34 1jqj n GLN 149 Cb 0.48 -5.87 -0.06 0.00 1.02 0.00 0.00 30.24 25.80 1jqj n GLN 149 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1jqj s ASP 150 N -3.30 7.24 0.57 1.08 3.68 -1.26 -4.93 116.67 119.75 1jqj s ASP 150 Ca 0.58 1.60 0.34 0.00 2.13 0.00 0.00 52.55 57.20 1jqj s ASP 150 Cb -0.26 -2.48 1.73 0.00 -1.45 0.00 0.00 42.92 40.45 1jqj s ASP 150 CO 0.72 0.06 2.15 0.58 0.13 0.00 0.00 175.17 178.81 1jqj h VAL 151 N 2.89 0.28 -1.40 1.11 2.07 -2.03 -3.22 116.25 115.95 1jqj h VAL 151 Ca -0.47 -0.35 -0.72 0.00 0.82 0.00 0.00 66.70 65.98 1jqj h VAL 151 Cb 1.20 1.27 -0.13 0.00 -1.52 0.00 0.00 31.29 32.11 1jqj h VAL 151 CO 0.65 0.05 1.91 0.54 0.02 0.00 0.00 177.57 180.75 1jqj n ARG 152 N -3.38 3.29 -0.12 1.57 1.74 -1.26 -4.83 116.66 113.67 1jqj n ARG 152 Ca -0.02 -3.49 0.27 0.00 -0.77 0.00 0.00 57.85 53.84 1jqj n ARG 152 Cb 0.20 -3.22 0.60 0.00 -1.02 0.00 0.00 32.46 29.02 1jqj n ARG 152 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1jqj h TYR 153 N 7.04 0.00 0.00 -1.55 -0.00 -1.98 0.11 116.97 120.59 1jqj h TYR 153 Ca 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 59.13 1jqj h TYR 153 Cb 0.82 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.55 1jqj h TYR 153 CO 1.27 0.00 -0.00 0.10 -0.00 0.00 0.00 178.16 179.53 1jqj h TYR 154 N 0.00 0.00 0.00 0.10 -0.00 -1.89 -2.67 116.97 112.51 1jqj h TYR 154 Ca 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.05 1jqj h TYR 154 Cb 2.18 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.90 1jqj h TYR 154 CO 0.00 0.00 -0.36 -0.07 -0.00 0.00 0.00 178.16 177.74 1jqj h LEU 155 N 0.00 0.00 -0.52 0.10 3.38 -1.08 -3.22 115.31 113.97 1jqj h LEU 155 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jqj h LEU 155 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1jqj h LEU 155 CO 0.00 0.36 0.00 0.59 0.09 0.00 0.00 178.44 179.48 1jqj n ASN 156 N -3.20 0.21 -3.68 -0.43 3.02 -1.01 -2.88 115.26 107.29 1jqj n ASN 156 Ca 0.02 -0.82 -0.12 0.00 -0.03 0.00 0.00 54.58 53.64 1jqj n ASN 156 Cb 0.67 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 1jqj n ASN 156 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1jqj s GLY 157 N -1.07 -0.24 0.43 7.41 0.00 -1.22 -2.49 107.32 110.13 1jqj s GLY 157 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 44.72 44.72 1jqj s GLY 157 CO 0.00 -0.08 0.89 -0.29 0.00 0.00 0.00 173.10 173.62 1jqj s MET 158 N -2.77 4.04 0.08 2.90 1.75 -0.36 -4.79 119.30 120.15 1jqj s MET 158 Ca -0.03 0.88 0.01 0.00 -1.25 0.00 0.00 55.69 55.29 1jqj s MET 158 Cb -0.00 -2.25 -0.04 0.00 2.84 0.00 0.00 34.83 35.38 1jqj s MET 158 CO -0.05 -0.06 0.20 -1.17 -0.65 0.00 0.00 175.02 173.30 1jqj s LEU 159 N -3.48 4.26 -0.03 4.11 0.20 -0.71 -0.69 118.68 122.34 1jqj s LEU 159 Ca 0.58 0.20 0.03 0.00 0.69 0.00 0.00 54.13 55.63 1jqj s LEU 159 Cb -0.10 -2.87 0.00 0.00 -0.43 0.00 0.00 46.19 42.80 1jqj s LEU 159 CO 0.22 0.15 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.96 1jqj s PHE 160 N -1.54 1.09 -0.04 5.38 0.40 0.14 -2.31 117.98 121.10 1jqj s PHE 160 Ca 0.34 -0.28 -0.16 0.00 -0.60 0.00 0.00 56.93 56.23 1jqj s PHE 160 Cb -0.12 -0.76 0.03 0.00 0.51 0.00 0.00 43.02 42.67 1jqj s PHE 160 CO 0.27 -0.11 0.36 -1.83 0.70 0.00 0.00 175.22 174.61 1jqj s GLU 161 N 0.16 0.66 -0.06 0.44 -1.05 -0.89 -0.40 118.70 117.56 1jqj s GLU 161 Ca -0.03 -0.00 0.03 0.00 -0.15 0.00 0.00 54.97 54.82 1jqj s GLU 161 Cb -0.09 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 33.91 1jqj s GLU 161 CO 0.01 -0.17 -0.13 0.95 0.95 0.00 0.00 175.26 176.86 1jqj s THR 162 N -1.00 1.18 -0.19 1.83 -4.23 -0.87 -1.13 115.64 111.23 1jqj s THR 162 Ca -0.11 -0.53 -0.17 0.00 -1.18 0.00 0.00 61.69 59.70 1jqj s THR 162 Cb -0.04 -1.06 0.05 0.00 1.34 0.00 0.00 72.50 72.79 1jqj s THR 162 CO 0.04 0.36 0.50 -1.83 -0.54 0.00 0.00 174.62 173.14 1jqj s GLU 163 N 0.44 0.57 5.34 3.99 -1.05 -1.00 -2.76 118.70 124.24 1jqj s GLU 163 Ca -0.11 0.70 0.00 0.00 -0.15 0.00 0.00 54.97 55.42 1jqj s GLU 163 Cb -0.14 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 1jqj s GLU 163 CO 0.03 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.58 1jqj n GLY 164 N 2.91 1.43 1.73 -3.83 0.00 -1.24 -2.41 105.19 103.78 1jqj n GLY 164 Ca -0.14 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1jqj n GLY 164 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jqj n GLU 165 N 12.77 2.99 -4.79 1.61 1.02 -1.26 -1.33 120.64 131.65 1jqj n GLU 165 Ca 0.00 -3.90 -0.26 0.00 -0.02 0.00 0.00 57.16 52.98 1jqj n GLU 165 Cb 0.00 -2.05 -0.16 0.00 -0.02 0.00 0.00 31.44 29.21 1jqj n GLU 165 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1jqj s GLU 166 N -3.47 1.76 -0.16 3.49 2.12 -1.01 -2.10 118.70 119.33 1jqj s GLU 166 Ca 0.46 -0.58 -0.03 0.00 0.36 0.00 0.00 54.97 55.19 1jqj s GLU 166 Cb 0.40 -1.51 -0.02 0.00 0.26 0.00 0.00 34.13 33.25 1jqj s GLU 166 CO 0.01 0.21 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.71 1jqj s LEU 167 N 0.12 3.09 -0.04 2.70 2.96 0.80 -2.37 118.68 125.94 1jqj s LEU 167 Ca -0.05 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1jqj s LEU 167 Cb -0.12 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.87 1jqj s LEU 167 CO 0.02 0.15 0.07 0.00 -1.32 0.00 0.00 176.35 175.27 1jqj s ARG 168 N 0.46 -0.01 0.20 1.98 1.70 -0.29 0.35 118.95 123.35 1jqj s ARG 168 Ca -0.05 0.28 0.04 0.00 -0.47 0.00 0.00 55.73 55.53 1jqj s ARG 168 Cb -0.15 -0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 33.94 1jqj s ARG 168 CO 0.03 -0.19 0.28 0.95 -1.08 0.00 0.00 175.30 175.29 1jqj s THR 169 N 1.28 5.07 -0.16 4.99 -4.23 -0.50 -2.10 115.64 119.98 1jqj s THR 169 Ca -0.07 -0.95 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1jqj s THR 169 Cb -0.12 -3.68 0.06 0.00 1.34 0.00 0.00 72.50 70.10 1jqj s THR 169 CO -0.04 -0.22 0.38 0.68 -0.54 0.00 0.00 174.62 174.89 1jqj s VAL 170 N -1.88 -0.10 0.20 2.29 -7.23 -0.98 -1.91 120.40 110.79 1jqj s VAL 170 Ca 0.34 0.11 0.11 0.00 -1.81 0.00 0.00 61.98 60.73 1jqj s VAL 170 Cb -0.10 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 1jqj s VAL 170 CO 0.27 0.05 -0.22 0.00 -0.31 0.00 0.00 175.10 174.89 1jqj s ALA 171 N 1.54 2.60 -0.30 1.32 0.00 -0.71 -1.74 121.76 124.47 1jqj s ALA 171 Ca -0.08 -1.63 -0.16 0.00 0.00 0.00 0.00 51.96 50.08 1jqj s ALA 171 Cb -0.09 -0.38 0.17 0.00 0.00 0.00 0.00 23.12 22.82 1jqj s ALA 171 CO -0.12 0.43 1.06 -0.08 0.00 0.00 0.00 175.76 177.04 1jqj s THR 172 N -1.72 -0.28 -1.86 0.00 -1.32 -0.86 -1.14 115.64 108.47 1jqj s THR 172 Ca 0.22 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.84 1jqj s THR 172 Cb -0.08 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.35 1jqj s THR 172 CO 0.11 0.00 1.35 -0.90 -2.21 0.00 0.00 174.62 172.97 1jqj n ASP 173 N 4.48 2.73 -0.42 8.08 5.68 -0.95 -4.20 116.55 131.94 1jqj n ASP 173 Ca -0.11 -2.06 -0.04 0.00 -0.50 0.00 0.00 54.79 52.08 1jqj n ASP 173 Cb 0.54 -0.35 -0.01 0.00 -1.14 0.00 0.00 41.12 40.17 1jqj n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jqj n GLY 174 N 1.19 0.31 1.65 6.12 0.00 -1.26 -4.78 105.19 108.42 1jqj n GLY 174 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1jqj n GLY 174 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jqj n HIS 175 N -3.75 -0.64 -4.31 1.61 8.25 -1.26 -5.07 115.22 110.05 1jqj n HIS 175 Ca -0.05 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.24 1jqj n HIS 175 Cb 0.44 0.41 -0.10 0.00 1.12 0.00 0.00 29.99 31.86 1jqj n HIS 175 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1jqj s ARG 176 N -1.82 1.23 0.02 -0.41 1.04 -1.26 -0.68 118.95 117.06 1jqj s ARG 176 Ca 0.00 -1.50 -0.01 0.00 -1.04 0.00 0.00 55.73 53.18 1jqj s ARG 176 Cb 0.00 -1.01 -0.02 0.00 -2.04 0.00 0.00 34.95 31.89 1jqj s ARG 176 CO 0.00 0.17 -0.00 -1.17 -0.04 0.00 0.00 175.30 174.26 1jqj s LEU 177 N -3.11 2.13 0.03 -1.89 0.20 0.15 -2.89 118.68 113.30 1jqj s LEU 177 Ca 0.19 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.58 1jqj s LEU 177 Cb -0.01 0.20 -0.02 0.00 -0.43 0.00 0.00 46.19 45.93 1jqj s LEU 177 CO 0.05 -0.32 -0.09 0.00 -0.29 0.00 0.00 176.35 175.70 1jqj s ALA 178 N -1.50 0.70 -0.13 5.97 0.00 -0.29 -2.08 121.76 124.44 1jqj s ALA 178 Ca -0.15 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 1jqj s ALA 178 Cb -0.09 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.00 1jqj s ALA 178 CO -0.01 0.09 0.34 0.08 0.00 0.00 0.00 175.76 176.26 1jqj s VAL 179 N -0.85 -0.01 -0.06 0.00 1.01 -1.07 -1.73 120.40 117.68 1jqj s VAL 179 Ca -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1jqj s VAL 179 Cb -0.07 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.84 1jqj s VAL 179 CO 0.00 0.02 0.15 0.00 0.00 0.00 0.00 175.10 175.27 1jqj s SER 181 N 0.20 2.03 0.04 0.00 0.01 -0.64 -1.42 113.70 113.93 1jqj s SER 181 Ca -0.01 -0.44 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 1jqj s SER 181 Cb -0.02 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1jqj s SER 181 CO -0.01 0.12 0.07 -0.04 0.41 0.00 0.00 173.24 173.80 1jqj s MET 182 N -0.96 0.58 -0.34 12.44 -1.94 0.15 -4.77 119.30 124.46 1jqj s MET 182 Ca 0.05 -0.83 -0.20 0.00 -1.71 0.00 0.00 55.69 53.00 1jqj s MET 182 Cb -0.08 0.22 -0.00 0.00 2.01 0.00 0.00 34.83 36.99 1jqj s MET 182 CO 0.01 -0.14 0.62 -1.25 -0.01 0.00 0.00 175.02 174.25 1jqj s PRO 183 N -2.80 3.72 -0.11 2.03 0.04 -1.26 -0.14 135.00 136.48 1jqj s PRO 183 Ca -0.03 0.08 -0.27 0.00 0.04 0.00 0.00 61.00 60.82 1jqj s PRO 183 Cb -0.00 -3.79 -0.27 0.00 0.04 0.00 0.00 34.50 30.48 1jqj s PRO 183 CO -0.06 -0.69 0.83 -0.84 0.04 0.00 0.00 177.00 176.29 1jqj h ILE 184 N 5.64 1.70 0.00 0.56 3.07 -1.79 -3.48 117.51 123.21 1jqj h ILE 184 Ca -0.27 -2.35 0.00 0.00 1.55 0.00 0.00 64.86 63.79 1jqj h ILE 184 Cb 1.11 3.28 0.00 0.00 -0.27 0.00 0.00 36.82 40.94 1jqj h ILE 184 CO 0.82 0.63 0.00 0.61 -1.05 0.00 0.00 178.15 179.16 1jqj n GLY 185 N 1.56 1.15 2.89 0.16 0.00 -1.26 -4.76 105.19 104.92 1jqj n GLY 185 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1jqj n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jqj s GLN 186 N -0.01 0.32 -0.52 1.61 1.11 -1.26 -5.11 119.66 115.81 1jqj s GLN 186 Ca 0.00 -0.06 -0.28 0.00 0.01 0.00 0.00 55.36 55.03 1jqj s GLN 186 Cb 0.00 -0.38 0.02 0.00 -1.01 0.00 0.00 33.01 31.64 1jqj s GLN 186 CO 0.00 -0.00 1.35 -1.54 0.01 0.00 0.00 175.29 175.11 1jqj s SER 187 N 0.34 6.28 0.13 5.90 1.04 -1.26 -4.34 113.70 121.78 1jqj s SER 187 Ca -0.03 0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.87 1jqj s SER 187 Cb -0.06 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 1jqj s SER 187 CO -0.01 -1.56 0.03 -0.76 0.98 0.00 0.00 173.24 171.93 1jqj s LEU 188 N 5.58 3.52 0.00 2.42 1.43 -0.44 -4.99 118.68 126.20 1jqj s LEU 188 Ca 0.53 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1jqj s LEU 188 Cb -0.11 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1jqj s LEU 188 CO 0.28 0.13 0.00 -0.81 0.23 0.00 0.00 176.35 176.18 1jqj n PRO 189 N 0.19 -1.74 -4.06 1.29 -0.04 -1.26 -3.64 135.00 125.74 1jqj n PRO 189 Ca -0.10 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.04 1jqj n PRO 189 Cb 0.53 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.84 1jqj n PRO 189 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1jqj s SER 190 N -1.96 4.09 0.02 3.54 1.04 -1.25 -4.07 113.70 115.10 1jqj s SER 190 Ca 0.00 -1.22 -0.02 0.00 0.48 0.00 0.00 55.95 55.19 1jqj s SER 190 Cb 0.00 -1.47 -0.02 0.00 0.10 0.00 0.00 66.02 64.64 1jqj s SER 190 CO 0.00 -0.16 0.02 -2.28 0.98 0.00 0.00 173.24 171.79 1jqj s HIS 191 N 1.19 0.22 -0.12 5.02 5.04 -1.11 -5.00 115.29 120.51 1jqj s HIS 191 Ca -0.06 -0.46 -0.02 0.00 -1.54 0.00 0.00 55.06 52.98 1jqj s HIS 191 Cb -0.19 -0.16 0.04 0.00 0.04 0.00 0.00 32.58 32.31 1jqj s HIS 191 CO -0.07 -0.23 0.02 -1.12 -2.34 0.00 0.00 174.74 171.00 1jqj s SER 192 N -1.53 2.14 0.20 9.88 0.01 -1.26 -2.04 113.70 121.10 1jqj s SER 192 Ca -0.14 -0.40 0.11 0.00 1.31 0.00 0.00 55.95 56.83 1jqj s SER 192 Cb -0.08 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 1jqj s SER 192 CO -0.01 -0.24 -0.22 0.68 0.41 0.00 0.00 173.24 173.85 1jqj s VAL 193 N 1.93 2.29 -0.50 3.43 -7.23 0.47 -4.93 120.40 115.86 1jqj s VAL 193 Ca 0.03 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 57.98 1jqj s VAL 193 Cb -0.14 -2.11 0.11 0.00 0.56 0.00 0.00 36.38 34.80 1jqj s VAL 193 CO -0.07 -0.19 0.42 -0.63 -0.31 0.00 0.00 175.10 174.32 1jqj s ILE 194 N -1.87 4.94 0.09 -0.62 1.01 -1.26 0.28 121.20 123.77 1jqj s ILE 194 Ca 0.21 -1.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.13 1jqj s ILE 194 Cb -0.07 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1jqj s ILE 194 CO 0.10 -0.75 0.94 -0.69 0.00 0.00 0.00 174.94 174.54 1jqj s VAL 195 N 1.55 4.57 1.05 2.92 1.01 0.13 -0.67 120.40 130.96 1jqj s VAL 195 Ca 0.04 2.01 -0.17 0.00 0.00 0.00 0.00 61.98 63.86 1jqj s VAL 195 Cb -0.27 -4.30 0.23 0.00 0.00 0.00 0.00 36.38 32.05 1jqj s VAL 195 CO 0.03 0.31 1.26 -2.16 0.00 0.00 0.00 175.10 174.54 1jqj s PRO 196 N 0.09 -0.05 0.00 2.72 0.05 -1.26 -1.22 135.00 135.33 1jqj s PRO 196 Ca 0.46 -0.32 0.00 0.00 0.05 0.00 0.00 61.00 61.19 1jqj s PRO 196 Cb -0.23 -1.76 0.00 0.00 0.05 0.00 0.00 34.50 32.57 1jqj s PRO 196 CO 0.29 -2.89 0.37 0.54 0.05 0.00 0.00 177.00 175.36 1jqj n ARG 197 N -4.12 0.00 -0.34 4.56 1.74 -1.04 -1.03 116.66 116.43 1jqj n ARG 197 Ca 0.15 0.23 0.04 0.00 -0.77 0.00 0.00 57.85 57.50 1jqj n ARG 197 Cb 0.59 -0.87 0.10 0.00 -1.02 0.00 0.00 32.46 31.26 1jqj n ARG 197 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1jqj n LYS 198 N -0.61 -0.12 -0.28 5.56 4.01 -1.26 -0.53 118.16 124.93 1jqj n LYS 198 Ca 0.00 1.45 0.02 0.00 -0.51 0.00 0.00 58.31 59.26 1jqj n LYS 198 Cb 0.00 -2.16 0.15 0.00 -0.51 0.00 0.00 35.03 32.51 1jqj n LYS 198 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1jqj h GLY 199 N 0.00 1.19 1.07 0.72 0.00 -1.91 0.32 103.07 104.47 1jqj h GLY 199 Ca 0.41 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 1jqj h GLY 199 CO -0.95 0.14 -0.26 -2.08 0.00 0.00 0.00 176.54 173.40 1jqj h VAL 200 N 0.77 1.28 0.34 4.60 2.07 0.92 0.77 116.25 127.00 1jqj h VAL 200 Ca 0.37 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1jqj h VAL 200 Cb 0.31 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1jqj h VAL 200 CO -0.23 0.48 -0.27 0.40 0.02 0.00 0.00 177.57 177.97 1jqj h ILE 201 N 0.71 0.43 0.28 4.57 1.08 -0.16 0.29 117.51 124.72 1jqj h ILE 201 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.55 1jqj h ILE 201 Cb 0.83 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 1jqj h ILE 201 CO 0.07 0.00 -0.29 -0.08 -0.69 0.00 0.00 178.15 177.16 1jqj h GLU 202 N -0.62 -0.58 -1.00 2.37 4.22 -0.31 0.18 114.58 118.85 1jqj h GLU 202 Ca -0.03 0.04 0.20 0.00 0.08 0.00 0.00 59.36 59.65 1jqj h GLU 202 Cb 0.54 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 1jqj h GLU 202 CO -0.01 -0.39 0.61 1.25 -2.18 0.00 0.00 179.01 178.30 1jqj h LEU 203 N -0.60 0.72 -0.71 1.64 5.85 -0.63 0.59 115.31 122.17 1jqj h LEU 203 Ca -0.01 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1jqj h LEU 203 Cb 0.56 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1jqj h LEU 203 CO -0.06 0.24 0.17 -0.03 -0.34 0.00 0.00 178.44 178.41 1jqj h MET 204 N 0.69 1.14 0.00 1.25 4.05 0.76 -3.23 114.93 119.59 1jqj h MET 204 Ca 0.58 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 1jqj h MET 204 Cb 1.00 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 1jqj h MET 204 CO -0.36 1.01 0.00 -2.13 0.23 0.00 0.00 176.91 175.65 1jqj n ARG 205 N -4.23 0.00 -0.36 0.39 0.63 0.20 -3.00 116.66 110.28 1jqj n ARG 205 Ca 0.05 0.27 0.32 0.00 -0.92 0.00 0.00 57.85 57.58 1jqj n ARG 205 Cb 0.26 -1.14 0.56 0.00 0.45 0.00 0.00 32.46 32.60 1jqj n ARG 205 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jqj n MET 206 N -1.09 -0.04 -1.75 -0.14 0.00 -0.98 -4.42 117.12 108.70 1jqj n MET 206 Ca 0.00 1.13 -0.42 0.00 0.00 0.00 0.00 57.70 58.41 1jqj n MET 206 Cb 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 33.22 31.05 1jqj n MET 206 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1jqj s LEU 207 N -9.25 4.35 0.00 3.17 1.43 -1.16 -4.87 118.68 112.35 1jqj s LEU 207 Ca -0.07 2.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.97 1jqj s LEU 207 Cb 0.28 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1jqj s LEU 207 CO 0.70 -0.94 0.53 -0.90 0.23 0.00 0.00 176.35 175.97 1jqj n ASP 208 N 2.76 -0.51 -2.40 2.29 3.85 -1.26 -5.00 116.55 116.27 1jqj n ASP 208 Ca 0.11 -1.06 -0.10 0.00 -0.71 0.00 0.00 54.79 53.03 1jqj n ASP 208 Cb 0.37 0.15 0.05 0.00 -1.35 0.00 0.00 41.12 40.34 1jqj n ASP 208 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jqj n GLY 209 N 0.00 -0.02 3.79 6.12 0.00 -1.26 -5.04 105.19 108.79 1jqj n GLY 209 Ca -0.14 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1jqj n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jqj s GLY 210 N -3.74 2.04 0.00 -0.02 0.00 -1.26 -4.98 107.32 99.36 1jqj s GLY 210 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1jqj s GLY 210 CO 0.42 -0.87 0.13 1.22 0.00 0.00 0.00 173.10 174.01 1jqj n ASP 211 N 0.73 0.37 -3.43 1.64 8.00 -1.26 -4.06 116.55 118.54 1jqj n ASP 211 Ca -0.10 -0.34 -0.27 0.00 0.71 0.00 0.00 54.79 54.79 1jqj n ASP 211 Cb 0.52 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.45 1jqj n ASP 211 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jqj n ASN 212 N 0.70 3.12 -4.50 -2.24 3.02 -1.26 -5.05 115.26 109.04 1jqj n ASN 212 Ca 0.00 -3.30 -0.36 0.00 -0.03 0.00 0.00 54.58 50.89 1jqj n ASN 212 Cb 0.07 -0.67 -0.17 0.00 -0.61 0.00 0.00 39.78 38.40 1jqj n ASN 212 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1jqj n PRO 213 N 1.06 0.04 -0.62 3.52 -0.02 -1.26 -4.49 135.00 133.24 1jqj n PRO 213 Ca 0.28 -0.01 -0.24 0.00 -2.02 0.00 0.00 63.50 61.51 1jqj n PRO 213 Cb 0.42 -1.45 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 1jqj n PRO 213 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1jqj n LEU 214 N 9.48 -0.01 -4.61 2.45 7.94 -1.24 -4.44 117.00 126.57 1jqj n LEU 214 Ca 0.65 0.48 -0.34 0.00 -1.11 0.00 0.00 56.01 55.69 1jqj n LEU 214 Cb 0.08 -0.38 -0.10 0.00 0.53 0.00 0.00 43.42 43.55 1jqj n LEU 214 CO 0.97 -0.78 -0.28 -0.13 -1.11 0.00 0.00 177.39 176.05 1jqj s ARG 215 N -0.00 3.73 -0.01 1.96 0.52 -1.10 -2.68 118.95 121.38 1jqj s ARG 215 Ca 0.37 -0.39 0.07 0.00 -0.52 0.00 0.00 55.73 55.26 1jqj s ARG 215 Cb -0.52 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 1jqj s ARG 215 CO 0.23 0.35 -0.23 0.08 0.02 0.00 0.00 175.30 175.75 1jqj s VAL 216 N 0.13 1.83 -0.26 3.52 1.01 0.67 -1.81 120.40 125.49 1jqj s VAL 216 Ca 0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1jqj s VAL 216 Cb -0.13 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.80 1jqj s VAL 216 CO 0.01 0.47 0.04 -1.10 0.00 0.00 0.00 175.10 174.53 1jqj s GLN 217 N -0.66 0.99 0.49 2.72 -0.21 -1.02 -1.12 119.66 120.86 1jqj s GLN 217 Ca 0.09 -0.94 -0.08 0.00 0.02 0.00 0.00 55.36 54.44 1jqj s GLN 217 Cb -0.09 -2.27 -0.05 0.00 1.00 0.00 0.00 33.01 31.60 1jqj s GLN 217 CO -0.00 -0.79 0.84 0.42 -2.12 0.00 0.00 175.29 173.63 1jqj s ILE 218 N 1.57 4.82 0.12 1.08 1.09 -1.10 -2.63 121.20 126.13 1jqj s ILE 218 Ca 0.03 0.50 -0.14 0.00 -1.10 0.00 0.00 60.65 59.94 1jqj s ILE 218 Cb -0.18 -3.82 0.05 0.00 -1.06 0.00 0.00 42.46 37.45 1jqj s ILE 218 CO -0.14 -0.80 0.66 0.61 -0.10 0.00 0.00 174.94 175.16 1jqj n GLY 219 N -2.04 0.85 0.00 6.18 0.00 -0.48 -1.18 105.19 108.51 1jqj n GLY 219 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1jqj n GLY 219 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jqj n SER 220 N -1.04 0.00 -2.28 1.61 3.41 -1.25 -3.26 113.62 110.81 1jqj n SER 220 Ca -0.01 0.05 0.01 0.00 -0.26 0.00 0.00 58.87 58.66 1jqj n SER 220 Cb 0.37 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.35 1jqj n SER 220 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jqj n ASN 221 N -1.04 1.16 -3.78 4.04 3.02 -1.26 -5.03 115.26 112.37 1jqj n ASN 221 Ca 0.00 -2.02 -0.10 0.00 -0.03 0.00 0.00 54.58 52.43 1jqj n ASN 221 Cb 0.00 -0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 1jqj n ASN 221 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1jqj s ASN 222 N -2.94 -0.16 -0.24 6.41 0.01 -1.20 -2.66 114.94 114.14 1jqj s ASN 222 Ca 0.28 -0.55 -0.19 0.00 -0.71 0.00 0.00 52.86 51.69 1jqj s ASN 222 Cb 0.34 0.51 0.07 0.00 0.41 0.00 0.00 41.25 42.58 1jqj s ASN 222 CO -0.09 -0.96 0.63 -0.51 -1.51 0.00 0.00 177.10 174.66 1jqj s ILE 223 N -3.88 -0.00 0.15 0.60 2.07 -0.74 -1.39 121.20 118.01 1jqj s ILE 223 Ca 0.10 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.39 1jqj s ILE 223 Cb 0.01 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 1jqj s ILE 223 CO -0.04 0.00 -0.08 0.00 -1.91 0.00 0.00 174.94 172.91 1jqj s ARG 224 N 0.86 1.07 -0.35 3.50 1.70 -1.08 -1.24 118.95 123.41 1jqj s ARG 224 Ca -0.04 -1.47 -0.00 0.00 -0.47 0.00 0.00 55.73 53.75 1jqj s ARG 224 Cb -0.05 -0.57 0.12 0.00 -0.57 0.00 0.00 34.95 33.88 1jqj s ARG 224 CO -0.07 0.04 0.17 0.00 -1.08 0.00 0.00 175.30 174.36 1jqj s ALA 225 N -3.38 1.38 -0.74 7.88 0.00 0.50 -2.42 121.76 124.98 1jqj s ALA 225 Ca 0.18 -1.86 -0.27 0.00 0.00 0.00 0.00 51.96 50.01 1jqj s ALA 225 Cb 0.03 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.54 1jqj s ALA 225 CO 0.01 -1.88 1.27 -1.01 0.00 0.00 0.00 175.76 174.15 1jqj s HIS 226 N 1.23 2.29 -0.82 0.00 0.09 -0.75 -3.23 115.29 114.09 1jqj s HIS 226 Ca 0.14 -0.06 -0.05 0.00 -0.00 0.00 0.00 55.06 55.09 1jqj s HIS 226 Cb -0.20 -4.62 0.21 0.00 -0.00 0.00 0.00 32.58 27.96 1jqj s HIS 226 CO -0.14 -2.07 0.70 0.08 -0.00 0.00 0.00 174.74 173.31 1jqj s VAL 227 N 5.71 4.48 0.00 -0.90 1.01 -0.59 -2.71 120.40 127.40 1jqj s VAL 227 Ca 0.35 -3.33 0.00 0.00 0.00 0.00 0.00 61.98 59.00 1jqj s VAL 227 Cb -0.08 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1jqj s VAL 227 CO 0.15 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 174.84 1jqj n GLY 228 N 2.98 1.64 0.09 4.51 0.00 -1.26 -3.14 105.19 110.01 1jqj n GLY 228 Ca 0.16 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jqj n GLY 228 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jqj n ASP 229 N 10.05 0.81 -4.78 1.61 5.75 -1.26 -4.93 116.55 123.80 1jqj n ASP 229 Ca 0.00 0.31 -0.37 0.00 -0.01 0.00 0.00 54.79 54.72 1jqj n ASP 229 Cb 0.00 0.08 -0.06 0.00 -1.03 0.00 0.00 41.12 40.11 1jqj n ASP 229 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1jqj s PHE 230 N -2.57 3.63 -0.37 2.11 2.99 -1.19 -3.23 117.98 119.35 1jqj s PHE 230 Ca -0.07 1.76 0.00 0.00 0.00 0.00 0.00 56.93 58.62 1jqj s PHE 230 Cb 0.07 -2.95 0.14 0.00 0.00 0.00 0.00 43.02 40.28 1jqj s PHE 230 CO 0.82 0.08 0.21 0.42 -0.00 0.00 0.00 175.22 176.75 1jqj s ILE 231 N -1.63 0.44 0.24 0.64 1.09 -1.02 -1.55 121.20 119.42 1jqj s ILE 231 Ca 0.51 -1.84 -0.28 0.00 -1.10 0.00 0.00 60.65 57.93 1jqj s ILE 231 Cb -0.19 -1.33 -0.09 0.00 -1.06 0.00 0.00 42.46 39.79 1jqj s ILE 231 CO 0.24 -0.95 0.91 0.12 -0.10 0.00 0.00 174.94 175.17 1jqj s PHE 232 N 0.98 3.92 -0.05 3.97 5.36 -1.20 -2.63 117.98 128.33 1jqj s PHE 232 Ca 0.17 1.84 -0.03 0.00 -0.96 0.00 0.00 56.93 57.95 1jqj s PHE 232 Cb -0.23 -2.93 0.02 0.00 -0.34 0.00 0.00 43.02 39.55 1jqj s PHE 232 CO -0.02 0.42 0.12 0.99 -1.46 0.00 0.00 175.22 175.28 1jqj s THR 233 N -1.26 -0.03 0.05 0.12 2.01 -0.90 -0.37 115.64 115.27 1jqj s THR 233 Ca 0.42 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.55 1jqj s THR 233 Cb -0.24 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 1jqj s THR 233 CO 0.30 0.04 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.60 1jqj s SER 234 N 0.63 1.36 0.77 3.53 0.15 -0.37 0.06 113.70 119.82 1jqj s SER 234 Ca -0.05 -0.55 -0.10 0.00 0.70 0.00 0.00 55.95 55.95 1jqj s SER 234 Cb -0.06 -0.03 0.07 0.00 -1.71 0.00 0.00 66.02 64.29 1jqj s SER 234 CO -0.03 -0.10 1.12 -0.75 1.20 0.00 0.00 173.24 174.69 1jqj s LYS 235 N -1.54 2.07 0.23 5.44 2.20 0.06 -1.79 119.74 126.40 1jqj s LYS 235 Ca -0.04 0.01 0.09 0.00 -0.36 0.00 0.00 55.97 55.67 1jqj s LYS 235 Cb -0.09 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.16 1jqj s LYS 235 CO 0.01 -1.47 -0.02 -0.51 -0.36 0.00 0.00 175.35 173.01 1jqj s LEU 236 N -5.47 3.18 0.10 5.43 1.43 -1.09 -4.59 118.68 117.67 1jqj s LEU 236 Ca 0.61 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.95 1jqj s LEU 236 Cb -0.11 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 1jqj s LEU 236 CO 0.48 0.04 0.58 -0.69 0.23 0.00 0.00 176.35 176.99 1jqj s VAL 237 N -2.05 4.73 -0.16 -1.59 1.01 0.16 -4.98 120.40 117.52 1jqj s VAL 237 Ca 0.29 1.17 0.01 0.00 0.00 0.00 0.00 61.98 63.45 1jqj s VAL 237 Cb -0.08 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1jqj s VAL 237 CO 0.19 0.47 -0.20 1.51 0.00 0.00 0.00 175.10 177.07 1jqj s ASP 238 N -1.26 3.25 0.00 3.32 1.47 -1.26 -4.20 116.67 117.98 1jqj s ASP 238 Ca 0.32 -0.59 0.00 0.00 1.18 0.00 0.00 52.55 53.46 1jqj s ASP 238 Cb -0.19 -1.48 0.00 0.00 -0.34 0.00 0.00 42.92 40.91 1jqj s ASP 238 CO 0.19 0.05 0.00 0.61 0.68 0.00 0.00 175.17 176.71 1jqj n GLY 239 N 4.26 1.52 3.62 2.12 0.00 -1.26 -4.93 105.19 110.52 1jqj n GLY 239 Ca -0.20 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1jqj n GLY 239 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jqj s ARG 240 N -2.00 3.86 -0.14 1.61 1.81 -1.26 -5.00 118.95 117.82 1jqj s ARG 240 Ca 0.00 0.78 -0.20 0.00 -1.72 0.00 0.00 55.73 54.59 1jqj s ARG 240 Cb 0.00 -3.84 -0.03 0.00 -0.45 0.00 0.00 34.95 30.62 1jqj s ARG 240 CO 0.00 -1.19 0.58 0.12 -0.68 0.00 0.00 175.30 174.12 1jqj s PHE 241 N 4.15 3.46 0.35 -0.53 5.36 -1.26 -4.99 117.98 124.53 1jqj s PHE 241 Ca 0.47 0.96 -0.17 0.00 -0.96 0.00 0.00 56.93 57.23 1jqj s PHE 241 Cb -0.09 -2.70 -0.13 0.00 -0.34 0.00 0.00 43.02 39.76 1jqj s PHE 241 CO 0.25 0.00 0.03 -0.35 -1.46 0.00 0.00 175.22 173.70 1jqj n PRO 242 N 4.29 0.00 -2.86 10.12 -0.04 -1.26 -4.86 135.00 140.39 1jqj n PRO 242 Ca -0.04 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 1jqj n PRO 242 Cb 0.51 -0.83 -0.04 0.00 -0.04 0.00 0.00 33.50 33.09 1jqj n PRO 242 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1jqj s ASP 243 N -0.83 6.37 0.61 3.54 -1.08 -1.26 -4.91 116.67 119.11 1jqj s ASP 243 Ca 0.49 -0.26 0.28 0.00 -0.52 0.00 0.00 52.55 52.53 1jqj s ASP 243 Cb -0.50 -2.43 1.43 0.00 -1.46 0.00 0.00 42.92 39.95 1jqj s ASP 243 CO 0.53 -1.15 1.83 0.10 0.52 0.00 0.00 175.17 177.00 1jqj h TYR 244 N 9.23 0.00 0.00 -5.34 -0.00 -2.00 -0.13 116.97 118.73 1jqj h TYR 244 Ca -0.26 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.31 1jqj h TYR 244 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.78 1jqj h TYR 244 CO 0.89 0.00 -0.80 0.00 -0.00 0.00 0.00 178.16 178.25 1jqj h ARG 245 N 0.00 0.00 0.00 0.10 3.08 -1.97 -3.21 114.38 112.38 1jqj h ARG 245 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1jqj h ARG 245 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1jqj h ARG 245 CO -0.00 0.80 0.00 0.54 -1.07 0.00 0.00 179.97 180.24 1jqj n ARG 246 N -3.50 0.87 -0.03 0.04 1.74 -0.06 -3.46 116.66 112.26 1jqj n ARG 246 Ca -0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1jqj n ARG 246 Cb 0.79 -1.31 -0.04 0.00 -1.02 0.00 0.00 32.46 30.89 1jqj n ARG 246 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1jqj n VAL 247 N -0.81 0.38 -1.58 1.55 0.24 -1.21 -5.00 118.33 111.91 1jqj n VAL 247 Ca 0.13 -0.22 -0.54 0.00 -2.04 0.00 0.00 64.34 61.67 1jqj n VAL 247 Cb 0.06 -0.83 -0.07 0.00 -1.47 0.00 0.00 33.84 31.53 1jqj n VAL 247 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1jqj n LEU 248 N -2.29 1.36 -4.60 1.34 4.77 -1.22 -4.73 117.00 111.62 1jqj n LEU 248 Ca -0.10 1.13 -0.49 0.00 -0.03 0.00 0.00 56.01 56.51 1jqj n LEU 248 Cb 0.67 -1.13 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1jqj n LEU 248 CO 0.11 -1.18 0.85 -0.81 -1.33 0.00 0.00 177.39 175.03 1jqj n PRO 249 N 2.52 1.31 -3.00 3.23 -0.04 -1.26 -4.89 135.00 132.88 1jqj n PRO 249 Ca 0.19 0.47 -0.43 0.00 -0.04 0.00 0.00 63.50 63.69 1jqj n PRO 249 Cb 0.16 -2.06 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 1jqj n PRO 249 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1jqj s LYS 250 N 0.04 3.31 -0.51 0.54 2.47 -1.26 -4.55 119.74 119.79 1jqj s LYS 250 Ca 0.77 -0.32 -0.23 0.00 -1.56 0.00 0.00 55.97 54.63 1jqj s LYS 250 Cb -0.86 -3.99 0.03 0.00 -1.46 0.00 0.00 37.83 31.55 1jqj s LYS 250 CO 0.49 -1.19 0.64 0.09 0.16 0.00 0.00 175.35 175.54 1jqj n ASN 251 N 6.69 -6.60 -4.71 1.43 3.02 -1.26 -4.94 115.26 108.89 1jqj n ASN 251 Ca -0.00 0.04 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 1jqj n ASN 251 Cb 0.47 -3.45 -0.06 0.00 -0.61 0.00 0.00 39.78 36.14 1jqj n ASN 251 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1jqj s PRO 252 N -2.82 4.34 -0.05 3.52 0.04 -1.26 -5.00 135.00 133.77 1jqj s PRO 252 Ca 0.26 0.59 -0.14 0.00 0.04 0.00 0.00 61.00 61.76 1jqj s PRO 252 Cb -0.04 -3.47 -0.08 0.00 0.04 0.00 0.00 34.50 30.95 1jqj s PRO 252 CO 0.83 0.06 0.56 0.38 0.04 0.00 0.00 177.00 178.87 1jqj h ASP 253 N 6.87 -0.35 -2.83 6.66 2.03 -1.90 -3.45 116.42 123.46 1jqj h ASP 253 Ca -0.39 -0.05 -0.52 0.00 -0.73 0.00 0.00 57.03 55.34 1jqj h ASP 253 Cb 1.18 0.09 0.04 0.00 -0.83 0.00 0.00 39.33 39.81 1jqj h ASP 253 CO 0.76 0.12 0.88 -0.54 -1.03 0.00 0.00 179.24 179.42 1jqj s LYS 254 N -3.05 4.21 0.03 4.15 1.02 -1.17 -4.80 119.74 120.14 1jqj s LYS 254 Ca -0.07 2.36 0.03 0.00 0.02 0.00 0.00 55.97 58.31 1jqj s LYS 254 Cb 0.01 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 1jqj s LYS 254 CO 0.24 -0.61 -0.10 -1.01 -0.92 0.00 0.00 175.35 172.96 1jqj s HIS 255 N 1.12 0.83 -0.06 3.18 3.76 -1.20 -0.31 115.29 122.60 1jqj s HIS 255 Ca 0.70 -0.36 -0.16 0.00 -0.15 0.00 0.00 55.06 55.09 1jqj s HIS 255 Cb -0.44 -0.50 0.03 0.00 1.11 0.00 0.00 32.58 32.79 1jqj s HIS 255 CO 0.31 -0.02 0.38 -0.48 -0.85 0.00 0.00 174.74 174.08 1jqj s LEU 256 N -1.11 0.58 -0.19 0.89 0.05 -0.73 -2.20 118.68 115.96 1jqj s LEU 256 Ca -0.03 0.39 -0.02 0.00 0.05 0.00 0.00 54.13 54.51 1jqj s LEU 256 Cb -0.07 1.43 0.06 0.00 -2.05 0.00 0.00 46.19 45.55 1jqj s LEU 256 CO 0.01 -0.36 0.02 -0.70 -0.55 0.00 0.00 176.35 174.77 1jqj s GLU 257 N -0.80 0.80 0.00 1.48 -6.30 -0.81 0.26 118.70 113.32 1jqj s GLU 257 Ca -0.09 -0.48 0.00 0.00 -2.50 0.00 0.00 54.97 51.90 1jqj s GLU 257 Cb -0.04 -2.14 0.00 0.00 0.00 0.00 0.00 34.13 31.95 1jqj s GLU 257 CO 0.04 -0.62 0.00 0.00 0.02 0.00 0.00 175.26 174.69 1jqj n ALA 258 N 5.00 0.00 -2.94 6.30 0.00 -0.01 -2.88 120.51 125.98 1jqj n ALA 258 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 1jqj n ALA 258 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 1jqj n ALA 258 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jqj s GLY 259 N -0.04 1.74 0.15 0.00 0.00 -1.26 -2.44 107.32 105.48 1jqj s GLY 259 Ca 0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 44.72 43.72 1jqj s GLY 259 CO 0.00 -0.04 1.68 0.00 0.00 0.00 0.00 173.10 174.75 1jqj h ASP 261 N 0.00 0.00 0.25 0.00 -0.00 -1.85 -2.80 116.42 112.02 1jqj h ASP 261 Ca 0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 57.03 57.04 1jqj h ASP 261 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.56 1jqj h ASP 261 CO -0.33 0.38 -0.57 0.25 -0.00 0.00 0.00 179.24 178.97 1jqj h LEU 262 N 0.00 0.37 -0.08 0.15 5.85 -1.81 -2.10 115.31 117.69 1jqj h LEU 262 Ca -0.05 -0.20 -0.23 0.00 0.84 0.00 0.00 57.88 58.24 1jqj h LEU 262 Cb 1.34 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1jqj h LEU 262 CO 0.04 0.86 -1.03 -0.07 -0.34 0.00 0.00 178.44 177.90 1jqj h LEU 263 N 0.25 0.33 -0.08 2.25 3.38 -1.02 -2.33 115.31 118.09 1jqj h LEU 263 Ca 0.00 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1jqj h LEU 263 Cb 1.07 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1jqj h LEU 263 CO 0.09 1.17 -0.15 0.11 0.09 0.00 0.00 178.44 179.75 1jqj h LYS 264 N 0.10 -0.20 0.00 1.13 1.57 -1.27 0.20 116.57 118.11 1jqj h LYS 264 Ca -0.08 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1jqj h LYS 264 Cb 1.72 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.07 1jqj h LYS 264 CO 0.16 -0.13 0.00 1.04 -0.57 0.00 0.00 179.45 179.95 1jqj n GLN 265 N -5.29 0.00 -0.04 3.15 6.02 -0.81 0.98 117.38 121.40 1jqj n GLN 265 Ca -0.04 0.58 -0.01 0.00 -0.01 0.00 0.00 57.00 57.52 1jqj n GLN 265 Cb 0.20 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.12 1jqj n GLN 265 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jqj n ALA 266 N -1.91 -0.06 -0.00 -1.58 0.00 -0.88 0.85 120.51 116.93 1jqj n ALA 266 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 1jqj n ALA 266 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 1jqj n ALA 266 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1jqj h PHE 267 N 0.00 0.12 -0.09 0.00 -1.00 -0.76 -1.10 116.94 114.11 1jqj h PHE 267 Ca 0.01 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.83 1jqj h PHE 267 Cb 0.04 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1jqj h PHE 267 CO -0.39 0.08 -0.14 0.00 -1.61 0.00 0.00 178.31 176.25 1jqj h ALA 268 N 1.04 -0.09 0.11 2.45 0.00 0.39 0.39 119.26 123.55 1jqj h ALA 268 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jqj h ALA 268 Cb -0.01 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jqj h ALA 268 CO -0.01 -0.60 -0.20 0.00 0.00 0.00 0.00 179.25 178.43 1jqj h ARG 269 N -0.19 -0.32 -1.01 0.00 3.08 0.63 -1.16 114.38 115.40 1jqj h ARG 269 Ca 0.08 0.02 0.29 0.00 0.07 0.00 0.00 59.98 60.44 1jqj h ARG 269 Cb 0.30 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 1jqj h ARG 269 CO -0.20 -0.22 0.72 0.00 -1.07 0.00 0.00 179.97 179.20 1jqj h ALA 270 N -1.26 2.86 0.76 0.04 0.00 -1.04 0.15 119.26 120.76 1jqj h ALA 270 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jqj h ALA 270 Cb 0.32 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jqj h ALA 270 CO -0.08 -1.16 -0.47 0.00 0.00 0.00 0.00 179.25 177.55 1jqj h ALA 271 N 1.51 -1.19 -0.57 0.00 0.00 0.98 -0.69 119.26 119.30 1jqj h ALA 271 Ca 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1jqj h ALA 271 Cb 1.86 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 20.19 1jqj h ALA 271 CO -0.04 -1.19 0.28 0.00 0.00 0.00 0.00 179.25 178.30 1jqj h ALA 272 N -1.02 0.74 -0.02 0.00 0.00 -0.32 -0.31 119.26 118.33 1jqj h ALA 272 Ca -0.10 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jqj h ALA 272 Cb 0.92 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1jqj h ALA 272 CO 0.10 0.30 0.29 0.00 0.00 0.00 0.00 179.25 179.94 1jqj h ALA 273 N 1.11 1.33 -1.87 0.00 0.00 -0.61 -3.33 119.26 115.89 1jqj h ALA 273 Ca 0.20 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.45 1jqj h ALA 273 Cb 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.74 1jqj h ALA 273 CO -0.03 -0.30 0.30 0.45 0.00 0.00 0.00 179.25 179.68 1jqj s SER 274 N -4.58 6.22 0.43 0.00 0.15 -0.13 -4.87 113.70 110.92 1jqj s SER 274 Ca -0.04 -0.97 0.24 0.00 0.70 0.00 0.00 55.95 55.88 1jqj s SER 274 Cb 0.10 -2.36 0.56 0.00 -1.71 0.00 0.00 66.02 62.61 1jqj s SER 274 CO 0.31 -1.17 1.68 -0.55 1.20 0.00 0.00 173.24 174.71 1jqj h ASN 275 N 9.27 0.00 -2.45 5.45 7.08 -1.80 -3.32 115.58 129.81 1jqj h ASN 275 Ca -0.28 0.00 -0.69 0.00 -3.08 0.00 0.00 56.30 52.25 1jqj h ASN 275 Cb 1.08 0.00 -0.36 0.00 -2.08 0.00 0.00 38.32 36.97 1jqj h ASN 275 CO 1.08 0.13 0.05 1.21 -2.08 0.00 0.00 177.43 177.82 1jqj n GLU 276 N -3.16 3.65 0.21 4.14 2.13 -1.26 -4.95 120.64 121.40 1jqj n GLU 276 Ca 0.02 -4.67 0.01 0.00 0.66 0.00 0.00 57.16 53.18 1jqj n GLU 276 Cb 0.51 -2.36 0.04 0.00 0.27 0.00 0.00 31.44 29.90 1jqj n GLU 276 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1jqj h LYS 277 N 4.39 0.00 -0.03 5.31 1.57 -1.91 -1.44 116.57 124.48 1jqj h LYS 277 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1jqj h LYS 277 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1jqj h LYS 277 CO 1.04 0.00 0.00 1.97 -0.57 0.00 0.00 179.45 181.89 1jqj n PHE 278 N -1.98 0.03 0.52 -1.35 1.16 -1.26 -3.43 117.46 111.15 1jqj n PHE 278 Ca -0.00 -0.01 0.12 0.00 -1.87 0.00 0.00 57.45 55.68 1jqj n PHE 278 Cb 0.77 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.74 1jqj n PHE 278 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1jqj n ARG 279 N -0.38 0.32 -0.78 3.97 5.12 -0.54 -5.07 116.66 119.29 1jqj n ARG 279 Ca 0.20 0.05 0.11 0.00 -1.93 0.00 0.00 57.85 56.28 1jqj n ARG 279 Cb 0.22 -1.66 -0.03 0.00 -1.16 0.00 0.00 32.46 29.83 1jqj n ARG 279 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jqj n GLY 280 N 1.33 -1.69 3.90 -0.13 0.00 -1.22 -4.66 105.19 102.71 1jqj n GLY 280 Ca 0.02 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 1jqj n GLY 280 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jqj s VAL 281 N -1.32 4.90 -0.19 1.61 1.01 0.24 -2.07 120.40 124.58 1jqj s VAL 281 Ca 0.00 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1jqj s VAL 281 Cb 0.00 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1jqj s VAL 281 CO 0.00 -0.57 -0.05 -0.60 0.00 0.00 0.00 175.10 173.88 1jqj s ARG 282 N -4.06 1.51 -0.12 2.72 3.52 0.04 -0.95 118.95 121.62 1jqj s ARG 282 Ca 0.48 -0.66 -0.10 0.00 -0.13 0.00 0.00 55.73 55.31 1jqj s ARG 282 Cb -0.10 -2.20 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1jqj s ARG 282 CO 0.35 -0.48 0.22 -0.51 -0.81 0.00 0.00 175.30 174.07 1jqj s LEU 283 N 1.56 4.35 -0.32 -0.88 1.43 -0.18 -1.31 118.68 123.33 1jqj s LEU 283 Ca -0.01 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1jqj s LEU 283 Cb -0.16 -2.24 0.10 0.00 0.03 0.00 0.00 46.19 43.91 1jqj s LEU 283 CO -0.07 0.29 0.07 -0.47 0.23 0.00 0.00 176.35 176.40 1jqj s TYR 284 N -0.51 2.56 -0.19 0.29 5.04 -0.97 -0.16 117.35 123.41 1jqj s TYR 284 Ca 0.16 -2.24 -0.13 0.00 -2.44 0.00 0.00 57.07 52.42 1jqj s TYR 284 Cb -0.13 -2.19 -0.05 0.00 0.35 0.00 0.00 41.96 39.95 1jqj s TYR 284 CO 0.05 -0.90 0.27 0.14 -1.34 0.00 0.00 175.55 173.77 1jqj s VAL 285 N 1.32 5.30 0.01 3.14 -7.23 -0.67 -1.29 120.40 120.99 1jqj s VAL 285 Ca 0.09 0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 1jqj s VAL 285 Cb -0.18 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.14 1jqj s VAL 285 CO -0.17 0.35 -0.02 -0.94 -0.31 0.00 0.00 175.10 174.00 1jqj s SER 286 N 0.73 0.24 0.00 4.85 1.04 -0.31 -1.87 113.70 118.37 1jqj s SER 286 Ca 0.14 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1jqj s SER 286 Cb -0.13 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1jqj s SER 286 CO 0.04 -0.14 0.00 -0.62 0.98 0.00 0.00 173.24 173.50 1jqj n GLU 287 N 2.30 0.00 -4.16 4.02 -0.58 -1.26 0.10 120.64 121.07 1jqj n GLU 287 Ca -0.18 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.22 1jqj n GLU 287 Cb 0.57 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.39 1jqj n GLU 287 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1jqj n ASN 288 N 0.00 -0.79 -3.63 1.62 5.03 -1.26 -4.95 115.26 111.27 1jqj n ASN 288 Ca 0.00 -1.22 -0.11 0.00 0.87 0.00 0.00 54.58 54.12 1jqj n ASN 288 Cb 0.00 -1.99 -0.07 0.00 -1.02 0.00 0.00 39.78 36.70 1jqj n ASN 288 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1jqj s GLN 289 N -7.16 0.67 -0.28 3.52 0.74 0.28 -4.33 119.66 113.11 1jqj s GLN 289 Ca 0.14 0.85 -0.00 0.00 0.05 0.00 0.00 55.36 56.40 1jqj s GLN 289 Cb -0.07 0.30 0.09 0.00 1.10 0.00 0.00 33.01 34.43 1jqj s GLN 289 CO 0.96 -0.09 0.06 -1.17 -0.55 0.00 0.00 175.29 174.50 1jqj s LEU 290 N 0.50 2.37 -0.81 3.68 2.96 -0.97 -1.17 118.68 125.24 1jqj s LEU 290 Ca -0.00 -1.48 -0.17 0.00 -0.22 0.00 0.00 54.13 52.26 1jqj s LEU 290 Cb -0.05 -0.95 0.16 0.00 0.50 0.00 0.00 46.19 45.86 1jqj s LEU 290 CO -0.05 -0.36 0.88 -0.54 -1.32 0.00 0.00 176.35 174.96 1jqj s LYS 291 N 1.55 3.48 -0.49 1.98 1.02 -0.41 -1.89 119.74 124.99 1jqj s LYS 291 Ca 0.05 -1.97 -0.19 0.00 0.02 0.00 0.00 55.97 53.89 1jqj s LYS 291 Cb -0.18 -4.57 0.05 0.00 -0.52 0.00 0.00 37.83 32.61 1jqj s LYS 291 CO -0.17 -1.52 0.59 -1.50 -0.92 0.00 0.00 175.35 171.82 1jqj s ILE 292 N 1.62 4.92 -0.04 2.17 -1.16 -0.07 -2.30 121.20 126.34 1jqj s ILE 292 Ca 0.22 -0.45 0.05 0.00 -0.51 0.00 0.00 60.65 59.96 1jqj s ILE 292 Cb -0.11 -4.24 -0.02 0.00 0.61 0.00 0.00 42.46 38.69 1jqj s ILE 292 CO -0.06 -0.72 -0.19 0.28 -2.81 0.00 0.00 174.94 171.44 1jqj s THR 293 N 2.52 2.65 -0.32 4.00 -1.32 -0.42 -2.68 115.64 120.07 1jqj s THR 293 Ca 0.15 -0.88 -0.28 0.00 -1.21 0.00 0.00 61.69 59.48 1jqj s THR 293 Cb -0.19 -2.00 -0.04 0.00 -1.51 0.00 0.00 72.50 68.76 1jqj s THR 293 CO 0.13 0.58 2.13 0.00 -2.21 0.00 0.00 174.62 175.25 1jqj s ALA 294 N -0.63 2.52 -0.40 11.08 0.00 -1.26 -0.78 121.76 132.29 1jqj s ALA 294 Ca 0.09 0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.16 1jqj s ALA 294 Cb -0.11 -4.13 -0.10 0.00 0.00 0.00 0.00 23.12 18.79 1jqj s ALA 294 CO 0.00 -3.14 2.29 -1.71 0.00 0.00 0.00 175.76 173.20 1jqj n ASN 295 N 12.20 2.26 -3.34 0.00 5.15 -0.88 -4.83 115.26 125.83 1jqj n ASN 295 Ca 0.29 0.16 -0.27 0.00 -0.60 0.00 0.00 54.58 54.16 1jqj n ASN 295 Cb 0.48 -1.36 -0.07 0.00 -0.53 0.00 0.00 39.78 38.29 1jqj n ASN 295 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1jqj n ASN 296 N 11.54 3.45 0.00 1.20 2.85 -1.26 -4.48 115.26 128.55 1jqj n ASN 296 Ca 0.40 -3.39 0.00 0.00 -0.11 0.00 0.00 54.58 51.48 1jqj n ASN 296 Cb 0.32 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.69 1jqj n ASN 296 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1jqj n PRO 297 N 0.76 0.00 -2.64 1.20 -0.02 -1.26 0.91 135.00 133.95 1jqj n PRO 297 Ca 0.29 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 1jqj n PRO 297 Cb 0.42 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.92 1jqj n PRO 297 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jqj n GLU 298 N -3.02 5.40 0.00 -0.52 1.02 -1.26 -4.94 120.64 117.33 1jqj n GLU 298 Ca 0.00 -4.67 0.00 0.00 -0.02 0.00 0.00 57.16 52.47 1jqj n GLU 298 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 28.96 1jqj n GLU 298 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1jqj n GLN 299 N -0.07 0.00 -3.59 3.49 7.27 0.26 -5.13 117.38 119.62 1jqj n GLN 299 Ca 0.47 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 57.27 1jqj n GLN 299 Cb 0.26 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.75 1jqj n GLN 299 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1jqj s GLU 300 N -2.00 0.13 0.00 3.69 8.01 -1.26 -4.58 118.70 122.69 1jqj s GLU 300 Ca 0.00 -0.26 0.00 0.00 0.01 0.00 0.00 54.97 54.72 1jqj s GLU 300 Cb 0.00 -1.60 0.00 0.00 -4.31 0.00 0.00 34.13 28.22 1jqj s GLU 300 CO 0.00 -0.80 0.00 0.39 0.01 0.00 0.00 175.26 174.86 1jqj n GLU 301 N 5.26 0.31 -4.09 1.61 4.71 -1.26 -5.12 120.64 122.06 1jqj n GLU 301 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.72 1jqj n GLU 301 Cb 0.46 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.82 1jqj n GLU 301 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jqj s ALA 302 N -2.28 3.60 0.07 0.62 0.00 -1.26 -5.11 121.76 117.40 1jqj s ALA 302 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1jqj s ALA 302 Cb 0.00 -1.77 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 1jqj s ALA 302 CO 0.00 0.57 0.03 -0.85 0.00 0.00 0.00 175.76 175.51 1jqj n GLU 303 N 2.19 0.74 -4.05 0.00 0.28 -1.26 -4.56 120.64 113.99 1jqj n GLU 303 Ca -0.19 -0.61 -0.13 0.00 -0.16 0.00 0.00 57.16 56.08 1jqj n GLU 303 Cb 0.54 0.36 -0.12 0.00 1.43 0.00 0.00 31.44 33.65 1jqj n GLU 303 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1jqj s GLU 304 N -2.27 0.41 0.25 3.44 2.12 -1.09 -5.01 118.70 116.54 1jqj s GLU 304 Ca 0.04 -0.54 0.09 0.00 0.36 0.00 0.00 54.97 54.93 1jqj s GLU 304 Cb 0.00 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.15 1jqj s GLU 304 CO 0.03 0.04 0.00 0.42 -0.54 0.00 0.00 175.26 175.21 1jqj s ILE 305 N -1.01 3.54 -0.04 -3.70 1.09 -1.26 -0.89 121.20 118.93 1jqj s ILE 305 Ca -0.08 -1.79 -0.04 0.00 -1.10 0.00 0.00 60.65 57.64 1jqj s ILE 305 Cb -0.07 -2.87 0.01 0.00 -1.06 0.00 0.00 42.46 38.47 1jqj s ILE 305 CO -0.00 -0.32 0.11 -0.76 -0.10 0.00 0.00 174.94 173.87 1jqj s LEU 306 N -3.53 1.59 -0.98 2.97 1.43 -0.79 -4.96 118.68 114.42 1jqj s LEU 306 Ca 0.30 0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.42 1jqj s LEU 306 Cb -0.07 0.39 0.17 0.00 0.03 0.00 0.00 46.19 46.71 1jqj s LEU 306 CO 0.20 -0.07 1.12 -1.81 0.23 0.00 0.00 176.35 176.02 1jqj s ASP 307 N -0.07 6.80 0.52 2.29 1.01 -1.26 -2.30 116.67 123.66 1jqj s ASP 307 Ca -0.01 -2.48 0.08 0.00 0.71 0.00 0.00 52.55 50.85 1jqj s ASP 307 Cb -0.01 -2.35 0.05 0.00 1.01 0.00 0.00 42.92 41.61 1jqj s ASP 307 CO 0.00 -0.85 0.59 0.54 0.21 0.00 0.00 175.17 175.66 1jqj s VAL 308 N 1.68 2.17 -0.54 -1.27 0.11 -1.26 -5.01 120.40 116.27 1jqj s VAL 308 Ca 0.32 -1.20 -0.12 0.00 -2.93 0.00 0.00 61.98 58.05 1jqj s VAL 308 Cb -0.06 -2.37 0.14 0.00 -1.53 0.00 0.00 36.38 32.56 1jqj s VAL 308 CO -0.07 0.00 0.45 -0.89 -3.33 0.00 0.00 175.10 171.26 1jqj s THR 309 N -2.64 4.70 0.42 5.04 2.01 -1.14 -4.32 115.64 119.71 1jqj s THR 309 Ca 0.51 -1.81 0.07 0.00 0.31 0.00 0.00 61.69 60.77 1jqj s THR 309 Cb -0.05 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1jqj s THR 309 CO 0.31 -0.84 0.23 -0.47 -0.69 0.00 0.00 174.62 173.16 1jqj s TYR 310 N 1.26 2.61 -0.16 4.92 5.04 -1.26 -1.93 117.35 127.83 1jqj s TYR 310 Ca 0.06 -0.57 -0.28 0.00 -2.44 0.00 0.00 57.07 53.84 1jqj s TYR 310 Cb -0.26 -2.01 0.07 0.00 0.35 0.00 0.00 41.96 40.12 1jqj s TYR 310 CO -0.00 0.11 0.72 -1.12 -1.34 0.00 0.00 175.55 173.92 1jqj s SER 311 N -3.96 -0.68 0.00 4.32 0.01 -0.93 -4.39 113.70 108.07 1jqj s SER 311 Ca 0.42 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.71 1jqj s SER 311 Cb 0.02 0.94 0.00 0.00 0.21 0.00 0.00 66.02 67.20 1jqj s SER 311 CO 0.24 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1jqj n GLY 312 N 1.72 1.10 3.18 3.44 0.00 -1.26 -3.26 105.19 110.11 1jqj n GLY 312 Ca -0.16 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 1jqj n GLY 312 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqj n ALA 313 N 1.29 -3.95 -2.72 4.61 0.00 -1.26 -4.61 120.51 113.87 1jqj n ALA 313 Ca 0.00 -1.69 -0.32 0.00 0.00 0.00 0.00 53.44 51.42 1jqj n ALA 313 Cb 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.97 1jqj n ALA 313 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jqj s GLU 314 N -4.64 3.59 -0.07 0.00 2.02 -1.26 -4.76 118.70 113.58 1jqj s GLU 314 Ca 0.60 -0.12 -0.31 0.00 0.02 0.00 0.00 54.97 55.16 1jqj s GLU 314 Cb -0.11 -2.94 0.07 0.00 0.10 0.00 0.00 34.13 31.24 1jqj s GLU 314 CO 0.51 0.54 0.70 0.00 0.02 0.00 0.00 175.26 177.03 1jqj s MET 315 N -2.36 1.03 -0.20 1.61 0.23 -0.78 -5.01 119.30 113.81 1jqj s MET 315 Ca 0.36 0.29 -0.01 0.00 -1.03 0.00 0.00 55.69 55.30 1jqj s MET 315 Cb -0.13 0.49 0.00 0.00 -1.53 0.00 0.00 34.83 33.66 1jqj s MET 315 CO 0.23 -0.31 -0.12 -1.83 -2.03 0.00 0.00 175.02 170.95 1jqj s GLU 316 N -1.11 3.20 -0.03 3.16 -1.05 -1.26 -1.67 118.70 119.95 1jqj s GLU 316 Ca -0.10 -0.72 0.07 0.00 -0.15 0.00 0.00 54.97 54.06 1jqj s GLU 316 Cb -0.00 -2.78 -0.02 0.00 -0.44 0.00 0.00 34.13 30.89 1jqj s GLU 316 CO 0.09 -0.18 -0.23 -1.50 0.95 0.00 0.00 175.26 174.39 1jqj s ILE 317 N 1.33 1.87 0.24 1.83 2.07 0.78 -4.85 121.20 124.46 1jqj s ILE 317 Ca 0.04 -1.00 -0.23 0.00 -1.41 0.00 0.00 60.65 58.05 1jqj s ILE 317 Cb -0.14 -1.56 -0.09 0.00 0.13 0.00 0.00 42.46 40.81 1jqj s ILE 317 CO -0.07 0.53 0.81 -0.83 -1.91 0.00 0.00 174.94 173.46 1jqj s GLY 318 N -0.43 2.76 -0.02 1.50 0.00 -1.25 -1.01 107.32 108.87 1jqj s GLY 318 Ca 0.06 0.33 -0.00 0.00 0.00 0.00 0.00 44.72 45.10 1jqj s GLY 318 CO 0.00 0.76 0.03 -1.36 0.00 0.00 0.00 173.10 172.53 1jqj s PHE 319 N -1.44 0.01 -0.25 1.90 2.99 -0.12 0.02 117.98 121.09 1jqj s PHE 319 Ca 0.43 0.12 -0.29 0.00 0.00 0.00 0.00 56.93 57.19 1jqj s PHE 319 Cb -0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 43.02 42.64 1jqj s PHE 319 CO 0.23 -0.07 1.64 1.21 -0.00 0.00 0.00 175.22 178.24 1jqj s ASN 320 N 0.79 6.29 0.23 1.36 3.84 -1.26 -0.59 114.94 125.59 1jqj s ASN 320 Ca -0.07 1.54 -0.17 0.00 0.21 0.00 0.00 52.86 54.37 1jqj s ASN 320 Cb -0.09 -2.53 0.24 0.00 -0.55 0.00 0.00 41.25 38.31 1jqj s ASN 320 CO -0.02 -1.35 1.53 0.52 -2.79 0.00 0.00 177.10 174.99 1jqj n VAL 321 N 6.62 -0.52 0.18 -5.21 0.31 -1.26 -2.48 118.33 115.98 1jqj n VAL 321 Ca 0.19 2.31 -0.13 0.00 -0.01 0.00 0.00 64.34 66.71 1jqj n VAL 321 Cb 0.46 -3.06 -0.07 0.00 -0.91 0.00 0.00 33.84 30.25 1jqj n VAL 321 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1jqj h SER 322 N 0.00 -1.09 -0.94 4.52 0.02 -1.99 -1.84 113.55 112.24 1jqj h SER 322 Ca 0.34 0.10 0.27 0.00 -0.84 0.00 0.00 61.79 61.66 1jqj h SER 322 Cb 0.59 0.37 -0.16 0.00 0.14 0.00 0.00 62.40 63.34 1jqj h SER 322 CO -0.98 -0.48 0.19 1.88 -1.14 0.00 0.00 176.83 176.30 1jqj h TYR 323 N -0.70 0.25 -0.31 3.45 0.05 -1.89 0.45 116.97 118.27 1jqj h TYR 323 Ca -0.04 0.06 -0.15 0.00 0.05 0.00 0.00 58.73 58.65 1jqj h TYR 323 Cb 0.63 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1jqj h TYR 323 CO -0.27 -0.34 -0.43 0.28 -1.05 0.00 0.00 178.16 176.35 1jqj h VAL 324 N 0.09 1.29 -0.33 -2.88 2.07 -1.35 -3.09 116.25 112.05 1jqj h VAL 324 Ca 0.61 -1.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 1jqj h VAL 324 Cb 1.32 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1jqj h VAL 324 CO -0.78 0.52 -0.14 -0.07 0.02 0.00 0.00 177.57 177.13 1jqj h LEU 325 N 0.62 0.69 -0.66 2.57 3.38 0.63 -2.40 115.31 120.14 1jqj h LEU 325 Ca 0.04 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.71 1jqj h LEU 325 Cb 0.99 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 1jqj h LEU 325 CO 0.09 0.93 0.31 0.44 0.09 0.00 0.00 178.44 180.31 1jqj h ASP 326 N 0.45 0.40 -0.44 -0.43 3.32 -0.96 0.39 116.42 119.15 1jqj h ASP 326 Ca 0.08 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1jqj h ASP 326 Cb 0.66 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1jqj h ASP 326 CO 0.04 0.23 0.26 0.58 -1.72 0.00 0.00 179.24 178.64 1jqj h VAL 327 N 0.55 1.04 -0.05 -1.35 2.07 -1.44 0.23 116.25 117.30 1jqj h VAL 327 Ca 0.32 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.59 1jqj h VAL 327 Cb 0.34 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1jqj h VAL 327 CO -0.26 0.09 -0.30 -0.07 0.02 0.00 0.00 177.57 177.05 1jqj h LEU 328 N 0.52 0.09 -0.01 2.57 3.38 -0.78 -0.31 115.31 120.77 1jqj h LEU 328 Ca 0.18 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1jqj h LEU 328 Cb 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jqj h LEU 328 CO -0.09 0.39 -0.04 0.78 0.09 0.00 0.00 178.44 179.58 1jqj h ASN 329 N 0.08 0.05 -0.99 -0.43 -0.26 -0.27 -3.12 115.58 110.63 1jqj h ASN 329 Ca 0.01 -0.69 0.17 0.00 -0.56 0.00 0.00 56.30 55.22 1jqj h ASN 329 Cb 0.58 -0.01 -0.09 0.00 -1.06 0.00 0.00 38.32 37.73 1jqj h ASN 329 CO 0.04 0.73 0.62 0.00 -1.06 0.00 0.00 177.43 177.76 1jqj h ALA 330 N 0.31 1.68 -1.14 -0.83 0.00 -0.35 -3.07 119.26 115.86 1jqj h ALA 330 Ca -0.00 0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.29 1jqj h ALA 330 Cb 0.73 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.29 1jqj h ALA 330 CO 0.01 -0.01 1.80 -0.51 0.00 0.00 0.00 179.25 180.54 1jqj s LEU 331 N -10.17 4.08 0.00 0.00 1.43 -0.14 -4.82 118.68 109.05 1jqj s LEU 331 Ca -0.11 -2.30 0.00 0.00 -1.03 0.00 0.00 54.13 50.68 1jqj s LEU 331 Cb 0.24 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1jqj s LEU 331 CO 0.80 -1.16 0.37 0.29 0.23 0.00 0.00 176.35 176.88 1jqj n LYS 332 N 7.87 0.41 -0.34 1.70 5.02 -1.16 -4.78 118.16 126.87 1jqj n LYS 332 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1jqj n LYS 332 Cb 0.47 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1jqj n LYS 332 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jqj n GLU 334 N -0.53 0.39 -4.14 0.00 -0.58 -1.26 -4.71 120.64 109.81 1jqj n GLU 334 Ca 0.00 0.16 -0.34 0.00 -0.42 0.00 0.00 57.16 56.55 1jqj n GLU 334 Cb 0.00 -1.18 -0.11 0.00 -0.57 0.00 0.00 31.44 29.58 1jqj n GLU 334 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1jqj s ASN 335 N -6.01 5.32 -0.15 1.62 -0.87 -1.26 0.22 114.94 113.81 1jqj s ASN 335 Ca -0.22 -0.00 -0.05 0.00 -1.57 0.00 0.00 52.86 51.02 1jqj s ASN 335 Cb 0.04 -1.90 -0.03 0.00 -0.02 0.00 0.00 41.25 39.33 1jqj s ASN 335 CO 0.32 0.17 0.00 -0.69 -2.57 0.00 0.00 177.10 174.33 1jqj s VAL 336 N 0.40 4.29 0.14 1.60 1.01 -1.02 -1.95 120.40 124.87 1jqj s VAL 336 Ca 0.01 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1jqj s VAL 336 Cb -0.13 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1jqj s VAL 336 CO 0.01 0.50 0.24 -0.60 0.00 0.00 0.00 175.10 175.26 1jqj s ARG 337 N 0.15 3.34 0.03 2.72 3.52 0.25 -0.83 118.95 128.12 1jqj s ARG 337 Ca 0.01 -0.62 -0.06 0.00 -0.13 0.00 0.00 55.73 54.92 1jqj s ARG 337 Cb -0.13 -2.92 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 1jqj s ARG 337 CO 0.02 0.53 0.12 1.41 -0.81 0.00 0.00 175.30 176.57 1jqj s MET 338 N -3.09 0.56 -0.17 5.12 1.75 0.14 -2.05 119.30 121.56 1jqj s MET 338 Ca 0.34 -0.61 -0.03 0.00 -1.25 0.00 0.00 55.69 54.14 1jqj s MET 338 Cb -0.11 0.22 0.05 0.00 2.84 0.00 0.00 34.83 37.84 1jqj s MET 338 CO 0.27 -0.14 0.04 -1.64 -0.65 0.00 0.00 175.02 172.90 1jqj s MET 339 N -2.14 0.53 0.49 4.11 -1.94 -1.12 -1.77 119.30 117.46 1jqj s MET 339 Ca -0.09 -0.26 0.05 0.00 -1.71 0.00 0.00 55.69 53.68 1jqj s MET 339 Cb -0.04 -1.85 0.05 0.00 2.01 0.00 0.00 34.83 35.00 1jqj s MET 339 CO -0.02 -0.58 0.38 1.28 -0.01 0.00 0.00 175.02 176.06 1jqj n LEU 340 N 5.11 0.00 0.14 -0.03 4.32 0.57 -2.26 117.00 124.85 1jqj n LEU 340 Ca -0.08 -2.56 0.00 0.00 -0.02 0.00 0.00 56.01 53.35 1jqj n LEU 340 Cb 0.48 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1jqj n LEU 340 CO 0.12 -0.56 0.00 0.41 -1.22 0.00 0.00 177.39 176.14 1jqj n THR 341 N -1.67 0.00 -3.80 -5.08 -1.04 -1.26 -3.01 114.28 98.42 1jqj n THR 341 Ca -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.87 1jqj n THR 341 Cb 0.56 -0.28 -0.09 0.00 -1.82 0.00 0.00 70.33 68.70 1jqj n THR 341 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jqj s ASP 342 N -3.92 -0.12 0.00 8.00 2.15 -1.26 -4.80 116.67 116.71 1jqj s ASP 342 Ca 0.00 0.02 0.23 0.00 0.43 0.00 0.00 52.55 53.23 1jqj s ASP 342 Cb 0.00 0.29 0.86 0.00 -0.30 0.00 0.00 42.92 43.77 1jqj s ASP 342 CO 0.00 -0.40 1.62 -1.54 -0.17 0.00 0.00 175.17 174.68 1jqj n SER 343 N 1.43 1.59 -1.49 -0.34 3.41 -1.26 -3.87 113.62 113.09 1jqj n SER 343 Ca -0.21 -1.63 0.03 0.00 -0.26 0.00 0.00 58.87 56.80 1jqj n SER 343 Cb 0.56 -0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.50 1jqj n SER 343 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jqj n VAL 344 N 0.26 0.57 -3.78 -3.33 0.24 -1.26 -4.63 118.33 106.40 1jqj n VAL 344 Ca 0.17 -1.66 -0.13 0.00 -2.04 0.00 0.00 64.34 60.69 1jqj n VAL 344 Cb 0.34 0.77 -0.11 0.00 -1.47 0.00 0.00 33.84 33.36 1jqj n VAL 344 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jqj s SER 345 N -2.43 -0.26 0.11 -1.34 1.04 -1.25 -4.97 113.70 104.60 1jqj s SER 345 Ca 0.34 0.45 -0.20 0.00 0.48 0.00 0.00 55.95 57.02 1jqj s SER 345 Cb 0.38 0.51 -0.12 0.00 0.10 0.00 0.00 66.02 66.90 1jqj s SER 345 CO -0.13 -0.16 0.41 -1.54 0.98 0.00 0.00 173.24 172.79 1jqj n SER 346 N 2.62 -0.71 -4.55 7.02 3.41 -1.26 -4.61 113.62 115.54 1jqj n SER 346 Ca -0.15 0.76 -0.30 0.00 -0.26 0.00 0.00 58.87 58.93 1jqj n SER 346 Cb 0.58 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.79 1jqj n SER 346 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jqj s VAL 347 N -0.57 3.24 -0.45 -3.33 1.01 -0.65 -4.72 120.40 114.93 1jqj s VAL 347 Ca 0.46 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1jqj s VAL 347 Cb -0.66 -2.49 0.12 0.00 0.00 0.00 0.00 36.38 33.35 1jqj s VAL 347 CO 0.38 0.14 0.19 -1.58 0.00 0.00 0.00 175.10 174.22 1jqj s GLN 348 N -2.10 1.82 0.62 2.72 0.74 -0.96 -0.77 119.66 121.73 1jqj s GLN 348 Ca 0.20 -2.31 -0.13 0.00 0.05 0.00 0.00 55.36 53.18 1jqj s GLN 348 Cb -0.11 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.66 1jqj s GLN 348 CO 0.12 -1.05 1.03 0.42 -0.55 0.00 0.00 175.29 175.27 1jqj s ILE 349 N 0.23 4.39 0.00 -2.34 1.09 -0.90 -2.81 121.20 120.86 1jqj s ILE 349 Ca 0.14 0.88 0.00 0.00 -1.10 0.00 0.00 60.65 60.58 1jqj s ILE 349 Cb -0.23 -3.66 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 1jqj s ILE 349 CO -0.03 -0.91 0.00 -1.84 -0.10 0.00 0.00 174.94 172.06 1jqj n GLU 350 N -2.55 0.00 -1.72 2.79 0.28 -0.87 -1.49 120.64 117.08 1jqj n GLU 350 Ca 0.07 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.71 1jqj n GLU 350 Cb 0.54 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.47 1jqj n GLU 350 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1jqj s ASP 351 N 0.00 4.64 -0.14 -1.84 2.15 -1.26 -0.59 116.67 119.64 1jqj s ASP 351 Ca 0.00 2.45 -0.14 0.00 0.43 0.00 0.00 52.55 55.29 1jqj s ASP 351 Cb 0.00 -2.60 -0.11 0.00 -0.30 0.00 0.00 42.92 39.90 1jqj s ASP 351 CO 0.00 -1.97 0.23 0.00 -0.17 0.00 0.00 175.17 173.27 1jqj h ALA 352 N 0.35 0.04 -1.04 3.66 0.00 -1.72 -3.38 119.26 117.18 1jqj h ALA 352 Ca -0.50 -0.44 0.38 0.00 0.00 0.00 0.00 54.91 54.36 1jqj h ALA 352 Cb 1.31 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 19.15 1jqj h ALA 352 CO 0.53 0.21 0.59 0.00 0.00 0.00 0.00 179.25 180.57 1jqj h ALA 353 N -0.62 2.15 -4.94 0.00 0.00 -1.93 -3.44 119.26 110.49 1jqj h ALA 353 Ca -0.06 0.22 -0.50 0.00 0.00 0.00 0.00 54.91 54.57 1jqj h ALA 353 Cb 0.60 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.51 1jqj h ALA 353 CO -0.03 -0.85 -0.48 -1.13 0.00 0.00 0.00 179.25 176.75 1jqj n SER 354 N -5.11 -0.49 0.00 0.00 3.41 -1.26 -5.07 113.62 105.10 1jqj n SER 354 Ca 0.35 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 1jqj n SER 354 Cb 1.19 1.64 0.00 0.00 -0.26 0.00 0.00 64.21 66.78 1jqj n SER 354 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jqj n GLN 355 N -0.69 0.90 -0.28 4.33 6.02 -1.26 -4.45 117.38 121.95 1jqj n GLN 355 Ca 0.06 -0.77 0.09 0.00 -0.01 0.00 0.00 57.00 56.38 1jqj n GLN 355 Cb 0.62 -0.71 0.23 0.00 1.02 0.00 0.00 30.24 31.41 1jqj n GLN 355 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1jqj h SER 356 N 0.00 -0.04 -2.23 1.08 0.02 -1.96 -3.42 113.55 107.00 1jqj h SER 356 Ca 0.00 0.18 -0.60 0.00 -0.84 0.00 0.00 61.79 60.53 1jqj h SER 356 Cb 0.69 0.25 -0.14 0.00 0.14 0.00 0.00 62.40 63.34 1jqj h SER 356 CO 0.00 -0.11 -0.74 0.00 -1.14 0.00 0.00 176.83 174.84 1jqj s ALA 357 N -6.00 2.74 -0.21 3.77 0.00 -1.26 -1.62 121.76 119.18 1jqj s ALA 357 Ca -0.12 -1.91 -0.18 0.00 0.00 0.00 0.00 51.96 49.74 1jqj s ALA 357 Cb 0.24 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.22 1jqj s ALA 357 CO 0.76 0.21 0.55 0.00 0.00 0.00 0.00 175.76 177.29 1jqj s ALA 358 N -2.58 -1.38 0.30 0.00 0.00 -0.75 -4.59 121.76 112.77 1jqj s ALA 358 Ca 0.30 1.62 0.11 0.00 0.00 0.00 0.00 51.96 53.99 1jqj s ALA 358 Cb -0.03 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 1jqj s ALA 358 CO 0.15 -0.27 -0.15 0.71 0.00 0.00 0.00 175.76 176.19 1jqj s TYR 359 N 0.49 2.35 -0.07 0.00 1.51 -0.56 -2.60 117.35 118.47 1jqj s TYR 359 Ca -0.02 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1jqj s TYR 359 Cb -0.04 -1.14 0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1jqj s TYR 359 CO -0.02 0.67 0.14 0.08 -1.11 0.00 0.00 175.55 175.30 1jqj s VAL 360 N -2.54 -0.14 -0.08 0.71 1.01 -0.88 -2.12 120.40 116.36 1jqj s VAL 360 Ca 0.31 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1jqj s VAL 360 Cb -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1jqj s VAL 360 CO 0.16 0.11 -0.16 -0.69 0.00 0.00 0.00 175.10 174.52 1jqj s VAL 361 N 1.66 1.46 0.11 2.92 1.01 0.05 -0.67 120.40 126.95 1jqj s VAL 361 Ca -0.03 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1jqj s VAL 361 Cb -0.12 -1.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.90 1jqj s VAL 361 CO -0.05 0.43 1.07 -0.04 0.00 0.00 0.00 175.10 176.51 1jqj s MET 362 N 0.59 4.57 1.25 2.72 -1.94 0.14 -1.63 119.30 125.01 1jqj s MET 362 Ca -0.15 1.62 -0.20 0.00 -1.71 0.00 0.00 55.69 55.25 1jqj s MET 362 Cb -0.16 -3.35 0.30 0.00 2.01 0.00 0.00 34.83 33.63 1jqj s MET 362 CO 0.05 0.01 1.06 -1.25 -0.01 0.00 0.00 175.02 174.88 1jqj s PRO 363 N 0.28 -1.57 0.20 2.03 0.04 -1.26 -4.77 135.00 129.94 1jqj s PRO 363 Ca 0.51 0.03 0.10 0.00 0.04 0.00 0.00 61.00 61.69 1jqj s PRO 363 Cb -0.27 -1.55 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1jqj s PRO 363 CO 0.31 -3.96 -0.15 1.41 0.04 0.00 0.00 177.00 174.65 1jqj s MET 364 N -5.28 1.85 -0.10 4.56 -2.45 0.10 -4.94 119.30 113.04 1jqj s MET 364 Ca 0.70 -1.40 -0.29 0.00 -1.25 0.00 0.00 55.69 53.45 1jqj s MET 364 Cb -0.11 -2.02 -0.06 0.00 1.25 0.00 0.00 34.83 33.88 1jqj s MET 364 CO 0.57 0.41 2.04 0.50 1.05 0.00 0.00 175.02 179.59 1jqj s ARG 365 N -2.86 3.65 0.00 4.11 3.52 -1.26 -3.88 118.95 122.23 1jqj s ARG 365 Ca 0.24 2.25 0.24 0.00 -0.13 0.00 0.00 55.73 58.33 1jqj s ARG 365 Cb -0.08 -4.24 1.45 0.00 -1.56 0.00 0.00 34.95 30.51 1jqj s ARG 365 CO 0.13 -1.51 1.81 1.28 -0.81 0.00 0.00 175.30 176.21