#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 0.18 0.17 3.17 -2.85 -1.09 -1.43 119.74 117.89 1jqj s LYS 2 Ca 0.00 0.22 -0.22 0.00 -1.00 0.00 0.00 55.97 54.96 1jqj s LYS 2 Cb 0.00 0.09 0.06 0.00 -2.06 0.00 0.00 37.83 35.92 1jqj s LYS 2 CO 0.00 -0.02 0.59 -0.59 0.10 0.00 0.00 175.35 175.43 1jqj s PHE 3 N 0.09 -0.48 -0.13 1.78 -0.12 -0.41 -0.06 117.98 118.65 1jqj s PHE 3 Ca 0.06 0.24 -0.09 0.00 -0.05 0.00 0.00 56.93 57.09 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 -0.13 -0.86 0.32 0.99 -0.05 0.00 0.00 175.22 175.49 1jqj s THR 4 N -3.77 -0.02 0.10 -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 -0.47 0.08 0.00 0.01 0.00 0.00 72.50 72.10 1jqj s THR 4 CO -0.11 0.03 0.69 0.68 -0.69 0.00 0.00 174.62 175.21 1jqj s VAL 5 N 0.90 0.00 0.83 3.82 -7.23 -0.97 -4.12 120.40 113.63 1jqj s VAL 5 Ca -0.06 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.00 1jqj s VAL 5 Cb -0.07 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 35.93 1jqj s VAL 5 CO -0.07 0.00 -0.05 -0.62 -0.31 0.00 0.00 175.10 174.06 1jqj n GLU 6 N -0.27 -1.14 -0.24 4.82 -0.58 -1.26 -1.60 120.64 120.38 1jqj n GLU 6 Ca -0.15 -0.34 0.11 0.00 -0.42 0.00 0.00 57.16 56.37 1jqj n GLU 6 Cb 0.64 -1.25 0.26 0.00 -0.57 0.00 0.00 31.44 30.52 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 0.12 2.45 -0.11 3.49 0.63 -0.94 -4.20 116.66 118.10 1jqj n ARG 7 Ca 0.02 -2.22 -0.23 0.00 -0.92 0.00 0.00 57.85 54.51 1jqj n ARG 7 Cb 0.29 -1.51 -0.08 0.00 0.45 0.00 0.00 32.46 31.62 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 1.37 0.50 0.00 -0.14 -0.58 -1.26 -3.27 120.64 117.26 1jqj n GLU 8 Ca 0.20 0.22 0.03 0.00 -0.42 0.00 0.00 57.16 57.19 1jqj n GLU 8 Cb 0.56 -1.35 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 -4.12 0.00 -0.00 -0.32 8.25 -1.26 -3.24 115.22 114.52 1jqj n HIS 9 Ca -0.42 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 -0.75 0.23 -0.09 2.41 7.94 -1.26 -4.55 117.00 120.93 1jqj n LEU 10 Ca 0.05 0.03 -0.06 0.00 -1.11 0.00 0.00 56.01 54.92 1jqj n LEU 10 Cb 0.02 -0.08 0.01 0.00 0.53 0.00 0.00 43.42 43.90 1jqj n LEU 10 CO 0.03 -0.03 0.89 0.25 -1.11 0.00 0.00 177.39 177.43 1jqj h LEU 11 N -0.07 -0.00 0.32 -1.96 6.46 -1.53 0.95 115.31 119.47 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 0.95 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1jqj h LEU 11 CO -0.03 0.04 -0.30 0.11 -0.62 0.00 0.00 178.44 177.64 1jqj h LYS 12 N 0.17 -0.62 -0.01 1.25 1.79 -1.84 0.29 116.57 117.61 1jqj h LYS 12 Ca 0.15 0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.68 1jqj h LYS 12 Cb 0.17 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1jqj h LYS 12 CO -0.21 -0.41 -0.07 -1.35 -1.08 0.00 0.00 179.45 176.33 1jqj h PRO 13 N -0.64 -0.12 0.00 3.15 0.11 -1.69 -1.11 132.00 131.69 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 0.58 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1jqj h PRO 13 CO -0.05 -0.08 0.00 -0.11 -0.21 0.00 0.00 178.00 177.55 1jqj n LEU 14 N -5.19 0.27 -0.02 2.35 7.94 0.32 -1.81 117.00 120.85 1jqj n LEU 14 Ca -0.06 0.62 -0.19 0.00 -1.11 0.00 0.00 56.01 55.27 1jqj n LEU 14 Cb 0.12 -0.64 -0.14 0.00 0.53 0.00 0.00 43.42 43.29 1jqj n LEU 14 CO 0.29 -0.67 -0.89 1.67 -1.11 0.00 0.00 177.39 176.68 1jqj n GLN 15 N -1.85 0.73 0.04 1.96 7.27 0.10 -3.89 117.38 121.74 1jqj n GLN 15 Ca -0.00 0.24 -0.12 0.00 0.07 0.00 0.00 57.00 57.19 1jqj n GLN 15 Cb 0.04 -1.68 -0.00 0.00 2.41 0.00 0.00 30.24 31.00 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 0.49 0.00 3.69 5.75 -0.63 0.19 115.11 124.65 1jqj h GLN 16 Ca -0.44 -0.42 -0.12 0.00 -0.15 0.00 0.00 58.65 57.52 1jqj h GLN 16 Cb 2.02 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 30.64 1jqj h GLN 16 CO 0.06 1.05 -0.57 0.28 -2.65 0.00 0.00 178.83 177.00 1jqj h VAL 17 N 0.33 1.40 -0.09 2.39 2.07 -1.58 -3.15 116.25 117.62 1jqj h VAL 17 Ca -0.04 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1jqj h VAL 17 Cb 1.37 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1jqj h VAL 17 CO 0.14 0.55 0.00 -1.54 0.02 0.00 0.00 177.57 176.74 1jqj n SER 18 N -3.86 2.06 0.04 0.57 3.41 -1.23 -4.13 113.62 110.49 1jqj n SER 18 Ca -0.01 -1.57 -0.08 0.00 -0.26 0.00 0.00 58.87 56.95 1jqj n SER 18 Cb 0.57 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 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 1.74 -1.22 0.88 5.00 0.00 -0.58 -3.00 103.07 105.89 1jqj h GLY 19 Ca 0.00 0.60 0.03 0.00 0.00 0.00 0.00 47.33 47.95 1jqj h GLY 19 CO 0.00 -0.38 0.39 -0.56 0.00 0.00 0.00 176.54 175.99 1jqj h PRO 20 N -0.35 0.74 -7.50 4.80 0.13 -1.85 -3.43 132.00 124.55 1jqj h PRO 20 Ca -0.00 -0.04 -0.45 0.00 -0.87 0.00 0.00 66.00 64.64 1jqj h PRO 20 Cb 0.35 -0.17 0.15 0.00 0.13 0.00 0.00 31.00 31.47 1jqj h PRO 20 CO -0.15 0.49 0.27 -0.48 -0.23 0.00 0.00 178.00 177.90 1jqj s LEU 21 N -10.19 1.78 0.00 1.56 0.05 -1.13 -5.01 118.68 105.74 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 41.31 1jqj s LEU 21 CO 0.76 -2.98 0.00 0.61 -0.55 0.00 0.00 176.35 174.19 1jqj n GLY 22 N -2.02 2.69 0.00 -3.48 0.00 -1.26 -4.92 105.19 96.20 1jqj n GLY 22 Ca 0.09 -0.59 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 -0.70 2.78 -0.02 0.00 -1.26 -5.00 105.19 100.99 1jqj n GLY 23 Ca 0.00 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 4.16 -0.96 1.61 0.63 -1.26 -5.07 116.66 115.78 1jqj n ARG 24 Ca 0.00 -4.75 -0.35 0.00 -0.92 0.00 0.00 57.85 51.83 1jqj n ARG 24 Cb 0.00 -2.35 0.04 0.00 0.45 0.00 0.00 32.46 30.59 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 0.03 0.00 0.00 -0.14 -0.02 -1.26 -4.96 135.00 128.64 1jqj n PRO 25 Ca 0.37 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1jqj n PRO 25 Cb 0.34 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 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 -2.47 0.00 -2.10 3.45 -1.04 -1.26 -4.83 114.28 106.04 1jqj n THR 26 Ca -0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.65 1jqj n THR 26 Cb 0.55 -0.71 0.01 0.00 -1.82 0.00 0.00 70.33 68.37 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 3.61 0.58 -4.42 2.34 -1.26 -4.90 118.68 114.63 1jqj s LEU 27 Ca 0.00 2.06 0.39 0.00 0.06 0.00 0.00 54.13 56.64 1jqj s LEU 27 Cb 0.00 -4.56 2.08 0.00 -0.56 0.00 0.00 46.19 43.14 1jqj s LEU 27 CO 0.00 -1.31 2.19 1.55 -1.06 0.00 0.00 176.35 177.73 1jqj h PRO 28 N 0.76 0.00 0.00 1.48 0.13 -2.00 -2.06 132.00 130.32 1jqj h PRO 28 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 1jqj h PRO 28 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1jqj h PRO 28 CO 0.56 0.00 -0.67 0.97 -0.23 0.00 0.00 178.00 178.63 1jqj h ILE 29 N 0.00 1.43 0.00 -3.56 6.09 -1.95 -3.17 117.51 116.35 1jqj h ILE 29 Ca 0.00 -2.35 -0.05 0.00 -1.37 0.00 0.00 64.86 61.09 1jqj h ILE 29 Cb 0.06 2.29 -0.01 0.00 0.47 0.00 0.00 36.82 39.63 1jqj h ILE 29 CO 0.00 0.66 -0.22 -0.07 -3.07 0.00 0.00 178.15 175.45 1jqj h LEU 30 N 0.00 0.00 -2.88 2.19 3.38 -1.71 -2.89 115.31 113.40 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 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.45 1jqj n GLY 31 N 0.46 2.57 3.67 0.83 0.00 -1.20 -4.71 105.19 106.81 1jqj n GLY 31 Ca 0.01 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.96 4.87 0.51 1.61 -0.87 -1.09 -1.83 114.94 117.17 1jqj s ASN 32 Ca 0.50 -0.29 0.01 0.00 -1.57 0.00 0.00 52.86 51.52 1jqj s ASN 32 Cb 0.29 -1.09 0.02 0.00 -0.02 0.00 0.00 41.25 40.45 1jqj s ASN 32 CO 0.30 0.13 0.72 -0.76 -2.57 0.00 0.00 177.10 174.93 1jqj s LEU 33 N -2.60 3.43 -0.24 0.60 1.43 0.12 -4.69 118.68 116.73 1jqj s LEU 33 Ca 0.26 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 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 0.18 -0.97 -0.11 -0.22 0.23 0.00 0.00 176.35 175.46 1jqj s LEU 34 N -4.66 3.10 -0.19 1.79 2.96 -0.20 -3.22 118.68 118.27 1jqj s LEU 34 Ca 0.54 -1.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 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 -0.13 0.07 -0.76 -1.32 0.00 0.00 176.35 174.58 1jqj s LEU 35 N 1.21 3.80 0.05 -0.68 1.43 0.07 -2.09 118.68 122.46 1jqj s LEU 35 Ca -0.03 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1jqj s LEU 35 Cb -0.17 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1jqj s LEU 35 CO -0.07 0.16 -0.06 -1.10 0.23 0.00 0.00 176.35 175.51 1jqj s GLN 36 N 0.48 0.53 -0.03 1.70 -0.21 -1.16 -1.24 119.66 119.72 1jqj s GLN 36 Ca 0.03 -0.87 -0.01 0.00 0.02 0.00 0.00 55.36 54.53 1jqj s GLN 36 Cb -0.13 -0.11 0.03 0.00 1.00 0.00 0.00 33.01 33.81 1jqj s GLN 36 CO 0.01 -0.01 0.06 0.08 -2.12 0.00 0.00 175.29 173.31 1jqj s VAL 37 N -2.09 -0.06 -0.21 1.09 1.01 -0.99 -1.35 120.40 117.79 1jqj s VAL 37 Ca -0.06 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1jqj s VAL 37 Cb -0.05 -0.12 0.15 0.00 0.00 0.00 0.00 36.38 36.36 1jqj s VAL 37 CO -0.02 0.09 1.16 0.00 0.00 0.00 0.00 175.10 176.33 1jqj s ALA 38 N 1.12 -2.02 -1.23 5.51 0.00 -0.84 -3.38 121.76 120.92 1jqj s ALA 38 Ca -0.09 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1jqj s ALA 38 Cb -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1jqj s ALA 38 CO -0.04 -0.32 0.00 -0.25 0.00 0.00 0.00 175.76 175.15 1jqj n ASP 39 N 0.53 -3.14 -0.15 0.00 9.92 -1.26 -0.55 116.55 121.90 1jqj n ASP 39 Ca -0.05 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1jqj n ASP 39 Cb 0.58 -2.97 0.00 0.00 -0.64 0.00 0.00 41.12 38.10 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 -0.26 0.58 3.01 0.44 0.00 -1.26 -5.03 105.19 102.67 1jqj n GLY 40 Ca -0.12 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.31 -0.07 -0.19 2.61 -1.32 0.29 -2.09 115.64 112.57 1jqj s THR 41 Ca 0.00 0.17 -0.13 0.00 -1.21 0.00 0.00 61.69 60.52 1jqj s THR 41 Cb 0.00 -0.35 -0.05 0.00 -1.51 0.00 0.00 72.50 70.60 1jqj s THR 41 CO 0.00 0.07 0.28 -0.22 -2.21 0.00 0.00 174.62 172.54 1jqj s LEU 42 N 1.33 4.20 -0.23 9.08 2.96 0.18 -1.98 118.68 134.22 1jqj s LEU 42 Ca -0.08 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1jqj s LEU 42 Cb -0.11 -2.33 0.04 0.00 0.50 0.00 0.00 46.19 44.29 1jqj s LEU 42 CO -0.08 0.06 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.93 1jqj s SER 43 N 0.69 3.92 0.12 3.68 1.04 -0.46 -0.82 113.70 121.86 1jqj s SER 43 Ca 0.15 -1.10 -0.17 0.00 0.48 0.00 0.00 55.95 55.31 1jqj s SER 43 Cb -0.13 -1.52 -0.07 0.00 0.10 0.00 0.00 66.02 64.40 1jqj s SER 43 CO 0.04 -0.11 0.57 -0.76 0.98 0.00 0.00 173.24 173.96 1jqj s LEU 44 N 1.18 4.41 -0.09 2.42 1.02 -0.35 -3.00 118.68 124.28 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 -3.15 0.05 0.00 0.02 0.00 0.00 46.19 42.94 1jqj s LEU 44 CO -0.08 0.16 0.18 -0.89 0.02 0.00 0.00 176.35 175.74 1jqj s THR 45 N -1.33 -0.20 0.12 5.49 2.01 -0.89 -0.98 115.64 119.87 1jqj s THR 45 Ca 0.35 0.27 0.10 0.00 0.31 0.00 0.00 61.69 62.72 1jqj s THR 45 Cb -0.17 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1jqj s THR 45 CO 0.19 0.11 -0.26 -0.83 -0.69 0.00 0.00 174.62 173.15 1jqj s GLY 46 N 1.87 1.49 0.01 4.40 0.00 -0.29 -1.03 107.32 113.77 1jqj s GLY 46 Ca -0.02 -1.41 -0.28 0.00 0.00 0.00 0.00 44.72 43.01 1jqj s GLY 46 CO -0.07 -1.39 0.63 -1.08 0.00 0.00 0.00 173.10 171.19 1jqj s THR 47 N -1.08 0.01 -0.08 0.90 -1.32 -1.26 -1.80 115.64 111.00 1jqj s THR 47 Ca 0.12 -0.05 0.13 0.00 -1.21 0.00 0.00 61.69 60.68 1jqj s THR 47 Cb -0.10 -0.98 0.25 0.00 -1.51 0.00 0.00 72.50 70.15 1jqj s THR 47 CO 0.05 -0.03 1.12 -0.90 -2.21 0.00 0.00 174.62 172.66 1jqj n ASP 48 N 0.59 1.30 -3.62 8.08 5.75 -0.96 -4.80 116.55 122.89 1jqj n ASP 48 Ca -0.19 -2.73 -0.27 0.00 -0.01 0.00 0.00 54.79 51.59 1jqj n ASP 48 Cb 0.59 -0.36 0.02 0.00 -1.03 0.00 0.00 41.12 40.34 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 -0.63 -2.21 0.00 -2.12 4.77 -1.26 -4.61 117.00 110.93 1jqj n LEU 49 Ca 0.10 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1jqj n LEU 49 Cb 0.75 -2.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.38 1jqj n LEU 49 CO -0.01 0.33 0.00 1.21 -1.33 0.00 0.00 177.39 177.59 1jqj n GLU 50 N -4.28 0.00 -4.06 3.23 2.13 -1.26 -5.01 120.64 111.39 1jqj n GLU 50 Ca 0.01 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.73 1jqj n GLU 50 Cb 0.54 -0.06 -0.08 0.00 0.27 0.00 0.00 31.44 32.11 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 -1.87 1.15 -0.21 5.31 0.23 -1.26 0.60 119.30 123.25 1jqj s MET 51 Ca 0.00 -1.34 -0.11 0.00 -1.03 0.00 0.00 55.69 53.22 1jqj s MET 51 Cb 0.00 0.33 0.07 0.00 -1.53 0.00 0.00 34.83 33.70 1jqj s MET 51 CO 0.00 -0.40 0.49 -1.83 -2.03 0.00 0.00 175.02 171.26 1jqj s GLU 52 N -4.03 0.48 0.05 3.16 -1.05 -0.41 -2.26 118.70 114.63 1jqj s GLU 52 Ca 0.24 0.96 -0.07 0.00 -0.15 0.00 0.00 54.97 55.95 1jqj s GLU 52 Cb 0.05 0.09 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 1jqj s GLU 52 CO 0.04 -0.17 0.31 -1.64 0.95 0.00 0.00 175.26 174.75 1jqj s MET 53 N 1.65 3.62 -0.15 -4.83 -1.94 -0.75 -2.05 119.30 114.86 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 -3.02 0.06 0.00 2.01 0.00 0.00 34.83 33.80 1jqj s MET 53 CO -0.15 0.60 0.13 0.08 -0.01 0.00 0.00 175.02 175.67 1jqj s VAL 54 N -1.39 -0.18 0.04 -6.03 1.01 -1.25 -1.14 120.40 111.46 1jqj s VAL 54 Ca 0.31 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 1jqj s VAL 54 Cb -0.13 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 1jqj s VAL 54 CO 0.19 -0.14 0.40 0.00 0.00 0.00 0.00 175.10 175.55 1jqj s ALA 55 N 2.22 3.72 -0.16 5.51 0.00 -0.15 -2.46 121.76 130.43 1jqj s ALA 55 Ca 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 1jqj s ALA 55 Cb -0.15 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 1jqj s ALA 55 CO -0.09 0.53 -0.12 1.03 0.00 0.00 0.00 175.76 177.11 1jqj s ARG 56 N -1.53 3.30 -0.09 0.00 1.81 -1.04 -1.21 118.95 120.18 1jqj s ARG 56 Ca 0.29 -0.70 -0.01 0.00 -1.72 0.00 0.00 55.73 53.58 1jqj s ARG 56 Cb -0.15 -2.72 0.03 0.00 -0.45 0.00 0.00 34.95 31.66 1jqj s ARG 56 CO 0.16 0.02 -0.02 0.08 -0.68 0.00 0.00 175.30 174.85 1jqj s VAL 57 N 0.85 0.62 -0.18 3.52 1.01 -0.00 -4.90 120.40 121.32 1jqj s VAL 57 Ca -0.04 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1jqj s VAL 57 Cb -0.15 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1jqj s VAL 57 CO 0.00 0.26 1.23 0.00 0.00 0.00 0.00 175.10 176.59 1jqj s ALA 58 N 1.87 3.67 -0.55 5.51 0.00 -1.26 0.48 121.76 131.48 1jqj s ALA 58 Ca 0.05 0.41 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 1jqj s ALA 58 Cb -0.13 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1jqj s ALA 58 CO -0.06 -1.16 1.42 -0.51 0.00 0.00 0.00 175.76 175.44 1jqj s LEU 59 N 3.46 3.42 -0.01 0.00 1.43 -0.89 -4.89 118.68 121.20 1jqj s LEU 59 Ca 0.53 0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 53.74 1jqj s LEU 59 Cb -0.21 -3.09 -0.15 0.00 0.03 0.00 0.00 46.19 42.77 1jqj s LEU 59 CO 0.13 -1.69 1.04 -0.37 0.23 0.00 0.00 176.35 175.69 1jqj h VAL 60 N 6.39 0.50 -4.01 -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 0.76 0.15 0.00 -2.13 0.00 0.00 31.29 31.16 1jqj h VAL 60 CO 1.17 0.10 0.28 -1.10 -1.23 0.00 0.00 177.57 176.78 1jqj s GLN 61 N -4.19 0.48 -0.04 5.19 -0.21 -1.26 -4.92 119.66 114.72 1jqj s GLN 61 Ca -0.13 0.11 -0.38 0.00 0.02 0.00 0.00 55.36 54.98 1jqj s GLN 61 Cb 0.01 -1.78 -0.19 0.00 1.00 0.00 0.00 33.01 32.06 1jqj s GLN 61 CO 0.46 -2.61 1.05 -2.30 -2.12 0.00 0.00 175.29 169.77 1jqj n PRO 62 N -4.02 0.00 -4.32 2.91 -0.02 -1.26 -4.69 135.00 123.60 1jqj n PRO 62 Ca 0.09 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.41 1jqj n PRO 62 Cb 0.59 -1.41 -0.10 0.00 -0.02 0.00 0.00 33.50 32.55 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 0.22 1.54 -0.28 6.00 -3.43 -1.26 -2.96 115.29 115.12 1jqj s HIS 63 Ca 0.87 -1.06 -0.23 0.00 -0.80 0.00 0.00 55.06 53.83 1jqj s HIS 63 Cb -1.21 -0.91 0.11 0.00 -1.43 0.00 0.00 32.58 29.13 1jqj s HIS 63 CO 0.56 -0.20 0.94 -1.21 -2.00 0.00 0.00 174.74 172.83 1jqj s GLU 64 N -3.96 0.56 0.80 -0.38 0.41 0.92 -4.93 118.70 112.13 1jqj s GLU 64 Ca 0.33 0.72 -0.16 0.00 -0.41 0.00 0.00 54.97 55.45 1jqj s GLU 64 Cb 0.07 0.25 -0.08 0.00 -1.78 0.00 0.00 34.13 32.59 1jqj s GLU 64 CO 0.11 -0.08 -0.05 -2.30 -0.49 0.00 0.00 175.26 172.46 1jqj n PRO 65 N 2.63 0.05 0.00 0.39 -0.02 -1.26 -2.66 135.00 134.12 1jqj n PRO 65 Ca -0.14 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1jqj n PRO 65 Cb 0.56 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 4.23 2.72 -1.23 0.00 -1.22 -2.97 105.19 109.12 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 0.58 0.10 4.61 0.00 -1.26 -2.36 121.76 121.43 1jqj s ALA 67 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1jqj s ALA 67 Cb 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1jqj s ALA 67 CO 0.00 -0.62 -0.07 -0.08 0.00 0.00 0.00 175.76 174.99 1jqj s THR 68 N 2.03 0.75 -0.55 0.00 -1.32 -0.38 -4.23 115.64 111.94 1jqj s THR 68 Ca 0.04 -1.94 0.04 0.00 -1.21 0.00 0.00 61.69 58.62 1jqj s THR 68 Cb -0.13 -1.69 0.14 0.00 -1.51 0.00 0.00 72.50 69.31 1jqj s THR 68 CO -0.05 -0.86 0.32 -0.89 -2.21 0.00 0.00 174.62 170.93 1jqj s THR 69 N -3.58 2.35 0.31 5.08 2.01 -1.00 -0.75 115.64 120.07 1jqj s THR 69 Ca 0.12 -3.41 -0.04 0.00 0.31 0.00 0.00 61.69 58.68 1jqj s THR 69 Cb 0.05 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1jqj s THR 69 CO -0.04 -0.89 0.57 0.68 -0.69 0.00 0.00 174.62 174.25 1jqj s VAL 70 N -0.47 5.03 0.87 3.82 -7.23 -1.20 -2.02 120.40 119.21 1jqj s VAL 70 Ca 0.20 -0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.23 1jqj s VAL 70 Cb -0.19 -3.76 0.09 0.00 0.56 0.00 0.00 36.38 33.08 1jqj s VAL 70 CO -0.05 -0.40 0.97 -2.65 -0.31 0.00 0.00 175.10 172.66 1jqj n PRO 71 N -1.17 -0.15 -0.07 4.82 -0.02 -1.26 -0.70 135.00 136.45 1jqj n PRO 71 Ca -0.02 0.02 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 1jqj n PRO 71 Cb 0.54 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.49 -0.11 3.55 0.00 -0.76 -3.50 120.51 116.52 1jqj n ALA 72 Ca 0.11 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 1jqj n ALA 72 Cb 0.52 0.02 -0.10 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 -0.91 -0.41 0.00 0.00 2.47 -1.95 -1.23 114.38 112.36 1jqj h ARG 73 Ca 0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1jqj h ARG 73 Cb 0.56 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1jqj h ARG 73 CO 0.00 -0.27 0.00 1.63 0.56 0.00 0.00 179.97 181.89 1jqj n LYS 74 N -5.33 0.00 -0.19 0.04 5.02 -1.26 -1.96 118.16 114.48 1jqj n LYS 74 Ca -0.04 0.58 0.28 0.00 -2.02 0.00 0.00 58.31 57.11 1jqj n LYS 74 Cb 0.34 -1.37 0.52 0.00 -0.02 0.00 0.00 35.03 34.50 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 -1.57 -0.97 116.94 119.61 1jqj h PHE 75 Ca 0.00 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.76 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 -0.19 0.00 -1.03 0.35 -2.02 0.00 0.00 178.31 175.42 1jqj h PHE 76 N 0.00 0.15 -0.26 0.41 3.57 -0.89 -3.31 116.94 116.61 1jqj h PHE 76 Ca 0.47 -0.11 0.05 0.00 3.53 0.00 0.00 57.97 61.91 1jqj h PHE 76 Cb 2.64 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 41.33 1jqj h PHE 76 CO 0.00 1.40 -0.08 -0.44 -2.23 0.00 0.00 178.31 176.97 1jqj h ASP 77 N -0.75 -0.28 -0.13 0.41 3.32 -0.51 0.54 116.42 119.02 1jqj h ASP 77 Ca -0.25 0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1jqj h ASP 77 Cb 1.40 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 41.09 1jqj h ASP 77 CO -0.07 -0.10 -0.21 0.40 -1.72 0.00 0.00 179.24 177.54 1jqj h ILE 78 N -0.02 0.00 -0.12 0.35 5.03 -1.65 2.13 117.51 123.23 1jqj h ILE 78 Ca 0.13 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.89 1jqj h ILE 78 Cb 0.21 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.00 1jqj h ILE 78 CO -0.27 0.00 0.09 0.00 -0.68 0.00 0.00 178.15 177.28 1jqj h ARG 80 N 0.04 0.00 -2.01 0.00 1.12 0.63 -3.33 114.38 110.83 1jqj h ARG 80 Ca 0.06 0.00 -0.73 0.00 -1.11 0.00 0.00 59.98 58.20 1jqj h ARG 80 Cb 0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 29.97 29.83 1jqj h ARG 80 CO -0.00 0.21 0.56 0.41 -3.11 0.00 0.00 179.97 178.04 1jqj n GLY 81 N 1.16 5.79 3.28 2.80 0.00 0.71 -4.97 105.19 113.95 1jqj n GLY 81 Ca 0.03 -2.59 -0.12 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 -3.99 1.04 -0.17 0.99 1.43 -1.22 -4.89 118.68 111.87 1jqj s LEU 82 Ca 0.47 -1.33 -0.29 0.00 -1.03 0.00 0.00 54.13 51.95 1jqj s LEU 82 Cb 0.35 0.66 -0.06 0.00 0.03 0.00 0.00 46.19 47.17 1jqj s LEU 82 CO -0.27 -0.92 2.17 -0.81 0.23 0.00 0.00 176.35 176.75 1jqj n PRO 83 N -0.32 2.10 -1.54 1.29 -0.04 -1.26 -4.85 135.00 130.37 1jqj n PRO 83 Ca 0.02 0.63 -0.36 0.00 -0.04 0.00 0.00 63.50 63.75 1jqj n PRO 83 Cb 0.65 -3.15 -0.05 0.00 -0.04 0.00 0.00 33.50 30.91 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 0.88 0.00 0.54 0.28 -1.26 -0.16 120.64 129.38 1jqj n GLU 84 Ca 0.28 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 1jqj n GLU 84 Cb 0.43 -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 6.10 0.86 3.78 -1.84 0.00 -1.26 -5.09 105.19 107.74 1jqj n GLY 85 Ca 0.41 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.60 3.06 0.30 4.61 0.00 0.78 -4.73 121.76 125.17 1jqj s ALA 86 Ca 0.00 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 1jqj s ALA 86 Cb 0.00 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 1jqj s ALA 86 CO 0.00 -0.34 0.59 -1.21 0.00 0.00 0.00 175.76 174.80 1jqj s GLU 87 N -2.55 3.69 -0.13 0.00 8.01 -1.26 -2.21 118.70 124.26 1jqj s GLU 87 Ca 0.59 0.14 0.02 0.00 0.01 0.00 0.00 54.97 55.73 1jqj s GLU 87 Cb -0.24 -2.60 0.01 0.00 -4.31 0.00 0.00 34.13 26.99 1jqj s GLU 87 CO 0.30 0.19 -0.18 0.42 0.01 0.00 0.00 175.26 175.99 1jqj s ILE 88 N -2.09 1.78 -0.34 -1.63 1.09 -0.63 -4.16 121.20 115.24 1jqj s ILE 88 Ca 0.46 -0.81 -0.06 0.00 -1.10 0.00 0.00 60.65 59.15 1jqj s ILE 88 Cb -0.11 -1.60 0.04 0.00 -1.06 0.00 0.00 42.46 39.74 1jqj s ILE 88 CO 0.28 0.50 0.09 0.00 -0.10 0.00 0.00 174.94 175.71 1jqj s ALA 89 N 0.96 3.01 -0.12 9.38 0.00 -1.02 -2.28 121.76 131.69 1jqj s ALA 89 Ca -0.05 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.10 1jqj s ALA 89 Cb -0.15 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 1jqj s ALA 89 CO -0.03 -1.34 0.00 0.08 0.00 0.00 0.00 175.76 174.47 1jqj s VAL 90 N 1.37 4.28 -0.12 0.00 1.01 -0.36 -1.82 120.40 124.76 1jqj s VAL 90 Ca -0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1jqj s VAL 90 Cb -0.20 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.40 1jqj s VAL 90 CO 0.02 0.56 0.28 0.00 0.00 0.00 0.00 175.10 175.96 1jqj s GLN 91 N -0.40 0.25 -0.58 2.72 -2.07 -0.11 -1.29 119.66 118.17 1jqj s GLN 91 Ca 0.08 0.57 -0.27 0.00 -1.82 0.00 0.00 55.36 53.91 1jqj s GLN 91 Cb -0.12 -0.09 0.00 0.00 -1.09 0.00 0.00 33.01 31.71 1jqj s GLN 91 CO 0.02 -0.16 1.57 -1.17 -1.32 0.00 0.00 175.29 174.24 1jqj s LEU 92 N 1.23 3.34 -0.94 2.60 2.96 -0.51 -1.61 118.68 125.75 1jqj s LEU 92 Ca -0.09 0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 53.96 1jqj s LEU 92 Cb -0.10 -2.85 0.19 0.00 0.50 0.00 0.00 46.19 43.94 1jqj s LEU 92 CO -0.09 -1.95 1.00 -0.70 -1.32 0.00 0.00 176.35 173.30 1jqj s GLU 93 N 6.05 3.73 0.00 1.98 2.12 0.46 -4.33 118.70 128.72 1jqj s GLU 93 Ca 0.57 -2.34 0.00 0.00 0.36 0.00 0.00 54.97 53.56 1jqj s GLU 93 Cb -0.12 -4.67 0.00 0.00 0.26 0.00 0.00 34.13 29.60 1jqj s GLU 93 CO 0.23 -1.49 0.00 0.41 -0.54 0.00 0.00 175.26 173.87 1jqj n GLY 94 N 4.32 -0.03 0.49 -1.50 0.00 -1.26 -0.87 105.19 106.34 1jqj n GLY 94 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.09 1.61 1.02 -1.26 -5.12 120.64 112.80 1jqj n GLU 95 Ca 0.00 -0.54 -0.08 0.00 -0.02 0.00 0.00 57.16 56.51 1jqj n GLU 95 Cb 0.00 -0.27 -0.10 0.00 -0.02 0.00 0.00 31.44 31.04 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 0.62 -0.70 3.49 1.81 -0.05 -3.69 118.95 120.43 1jqj s ARG 96 Ca 0.00 -1.13 -0.08 0.00 -1.72 0.00 0.00 55.73 52.80 1jqj s ARG 96 Cb 0.00 0.07 0.18 0.00 -0.45 0.00 0.00 34.95 34.75 1jqj s ARG 96 CO 0.00 -0.07 0.57 1.41 -0.68 0.00 0.00 175.30 176.53 1jqj s MET 97 N -3.42 3.00 -0.03 3.54 -2.45 -0.08 -0.41 119.30 119.45 1jqj s MET 97 Ca 0.04 -2.46 -0.30 0.00 -1.25 0.00 0.00 55.69 51.72 1jqj s MET 97 Cb 0.04 -4.04 -0.04 0.00 1.25 0.00 0.00 34.83 32.04 1jqj s MET 97 CO -0.07 -1.23 1.35 -0.51 1.05 0.00 0.00 175.02 175.61 1jqj s LEU 98 N 0.10 4.29 0.29 4.11 2.01 -0.63 -2.31 118.68 126.55 1jqj s LEU 98 Ca 0.17 2.00 0.10 0.00 0.01 0.00 0.00 54.13 56.41 1jqj s LEU 98 Cb -0.16 -3.56 -0.05 0.00 0.01 0.00 0.00 46.19 42.43 1jqj s LEU 98 CO -0.05 -0.70 -0.08 -0.69 1.01 0.00 0.00 176.35 175.84 1jqj s VAL 99 N 2.55 2.83 -0.29 -1.59 1.01 -0.22 -0.94 120.40 123.75 1jqj s VAL 99 Ca 0.61 -2.12 0.02 0.00 0.00 0.00 0.00 61.98 60.49 1jqj s VAL 99 Cb -0.29 -2.62 0.18 0.00 0.00 0.00 0.00 36.38 33.65 1jqj s VAL 99 CO 0.24 -0.33 0.53 -0.13 0.00 0.00 0.00 175.10 175.41 1jqj s ARG 100 N -3.62 0.51 -0.91 2.72 0.52 -0.76 -2.63 118.95 114.78 1jqj s ARG 100 Ca 0.32 0.60 -0.02 0.00 -0.52 0.00 0.00 55.73 56.11 1jqj s ARG 100 Cb -0.04 0.14 0.24 0.00 0.52 0.00 0.00 34.95 35.81 1jqj s ARG 100 CO 0.18 -0.87 0.91 0.45 0.02 0.00 0.00 175.30 175.99 1jqj n SER 101 N 5.40 4.57 0.00 0.23 2.88 -1.09 -2.45 113.62 123.17 1jqj n SER 101 Ca 0.01 -3.20 0.00 0.00 -1.33 0.00 0.00 58.87 54.35 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 2.03 1.16 0.00 0.46 0.00 -1.26 -2.59 105.19 104.99 1jqj n GLY 102 Ca 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.77 1.61 5.12 -1.26 -4.90 116.66 115.46 1jqj n ARG 103 Ca 0.00 -0.07 -0.42 0.00 -1.93 0.00 0.00 57.85 55.43 1jqj n ARG 103 Cb 0.00 -0.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.81 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 -4.75 0.55 7.64 -1.07 -4.92 113.62 115.00 1jqj n SER 104 Ca 0.00 -2.85 -0.36 0.00 1.01 0.00 0.00 58.87 56.67 1jqj n SER 104 Cb 0.29 -1.66 -0.07 0.00 -1.01 0.00 0.00 64.21 61.75 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 3.20 4.15 0.52 1.43 1.70 -1.26 -2.66 118.95 126.03 1jqj s ARG 105 Ca 0.47 0.00 0.05 0.00 -0.47 0.00 0.00 55.73 55.78 1jqj s ARG 105 Cb 0.14 -3.39 0.02 0.00 -0.57 0.00 0.00 34.95 31.14 1jqj s ARG 105 CO -0.08 0.33 0.29 -0.06 -1.08 0.00 0.00 175.30 174.69 1jqj s PHE 106 N 0.22 1.80 -0.15 5.89 0.40 -1.08 -4.92 117.98 120.13 1jqj s PHE 106 Ca 0.14 -0.84 -0.04 0.00 -0.60 0.00 0.00 56.93 55.59 1jqj s PHE 106 Cb -0.13 -1.85 0.07 0.00 0.51 0.00 0.00 43.02 41.63 1jqj s PHE 106 CO 0.03 -0.24 0.26 0.45 0.70 0.00 0.00 175.22 176.42 1jqj s SER 107 N -4.15 0.55 -0.11 1.36 0.15 -1.26 -1.06 113.70 109.19 1jqj s SER 107 Ca 0.28 0.41 -0.04 0.00 0.70 0.00 0.00 55.95 57.29 1jqj s SER 107 Cb -0.01 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1jqj s SER 107 CO 0.17 -0.26 0.06 -0.76 1.20 0.00 0.00 173.24 173.65 1jqj s LEU 108 N 2.41 3.89 0.19 3.45 1.43 -0.98 -4.85 118.68 124.22 1jqj s LEU 108 Ca 0.03 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 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 0.37 1.28 -0.94 0.23 0.00 0.00 176.35 177.19 1jqj s SER 109 N -0.79 6.95 -0.01 2.29 1.04 -1.26 -0.91 113.70 121.01 1jqj s SER 109 Ca 0.13 2.35 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 -0.48 -0.03 0.42 0.98 0.00 0.00 173.24 174.15 1jqj s THR 110 N 0.09 0.28 0.20 2.02 -4.23 -1.24 -4.22 115.64 108.53 1jqj s THR 110 Ca 0.56 -0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 60.92 1jqj s THR 110 Cb -0.35 -0.27 -0.06 0.00 1.34 0.00 0.00 72.50 73.16 1jqj s THR 110 CO 0.38 0.11 0.45 -0.76 -0.54 0.00 0.00 174.62 174.25 1jqj s LEU 111 N 0.24 4.20 0.52 4.79 1.02 -0.85 -4.85 118.68 123.74 1jqj s LEU 111 Ca -0.02 0.66 -0.22 0.00 0.02 0.00 0.00 54.13 54.57 1jqj s LEU 111 Cb -0.05 -3.42 -0.07 0.00 0.02 0.00 0.00 46.19 42.67 1jqj s LEU 111 CO -0.00 -0.04 1.15 -0.81 0.02 0.00 0.00 176.35 176.67 1jqj n PRO 112 N -0.27 1.43 0.00 1.29 -0.04 -1.26 -2.37 135.00 133.78 1jqj n PRO 112 Ca -0.02 0.52 0.15 0.00 -0.04 0.00 0.00 63.50 64.11 1jqj n PRO 112 Cb 0.53 -2.31 0.75 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.00 2.66 1.59 0.55 0.00 -1.26 -2.71 120.51 120.34 1jqj n ALA 113 Ca 0.11 -0.25 0.10 0.00 0.00 0.00 0.00 53.44 53.40 1jqj n ALA 113 Cb 0.43 -1.40 0.46 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.88 2.56 0.09 0.00 0.00 -1.26 -3.25 120.51 117.78 1jqj n ALA 114 Ca 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1jqj n ALA 114 Cb 0.22 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.19 0.09 -4.76 0.00 10.43 -1.10 -5.04 116.55 115.98 1jqj n ASP 115 Ca 0.15 -0.54 -0.41 0.00 2.57 0.00 0.00 54.79 56.56 1jqj n ASP 115 Cb 0.21 1.00 -0.01 0.00 1.84 0.00 0.00 41.12 44.16 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 -1.18 2.77 -1.10 1.24 5.36 -1.20 -4.94 117.98 118.94 1jqj s PHE 116 Ca 0.01 1.08 -0.06 0.00 -0.96 0.00 0.00 56.93 57.00 1jqj s PHE 116 Cb 0.01 -3.95 0.30 0.00 -0.34 0.00 0.00 43.02 39.04 1jqj s PHE 116 CO 0.08 -2.93 1.39 -0.35 -1.46 0.00 0.00 175.22 171.95 1jqj n PRO 117 N 1.27 4.19 -2.43 10.12 -0.04 -1.26 -5.02 135.00 141.83 1jqj n PRO 117 Ca 0.04 -4.50 -0.41 0.00 -0.04 0.00 0.00 63.50 58.59 1jqj n PRO 117 Cb 0.39 -2.54 -0.04 0.00 -0.04 0.00 0.00 33.50 31.28 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 -0.80 7.17 -0.69 3.54 3.84 -1.26 -4.78 114.94 121.96 1jqj s ASN 118 Ca 0.31 2.23 -0.14 0.00 0.21 0.00 0.00 52.86 55.48 1jqj s ASN 118 Cb 0.01 -2.61 -0.18 0.00 -0.55 0.00 0.00 41.25 37.91 1jqj s ASN 118 CO 0.05 -0.27 1.87 0.18 -2.79 0.00 0.00 177.10 176.14 1jqj n LEU 119 N 1.96 -0.32 -4.42 3.21 4.77 -1.26 -4.70 117.00 116.24 1jqj n LEU 119 Ca 0.02 -1.42 -0.59 0.00 -0.03 0.00 0.00 56.01 53.99 1jqj n LEU 119 Cb 0.45 -1.05 -0.08 0.00 -2.33 0.00 0.00 43.42 40.40 1jqj n LEU 119 CO 0.55 -2.23 0.67 0.47 -1.33 0.00 0.00 177.39 175.52 1jqj n ASP 120 N 11.21 0.25 -4.55 -1.43 9.92 -1.26 -4.66 116.55 126.03 1jqj n ASP 120 Ca 0.38 1.13 -0.38 0.00 -0.53 0.00 0.00 54.79 55.39 1jqj n ASP 120 Cb 0.38 -0.88 -0.04 0.00 -0.64 0.00 0.00 41.12 39.93 1jqj n ASP 120 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1jqj n ASP 121 N 1.98 2.25 -4.90 -2.24 8.00 -1.26 -4.94 116.55 115.44 1jqj n ASP 121 Ca 0.22 -0.32 -0.28 0.00 0.71 0.00 0.00 54.79 55.12 1jqj n ASP 121 Cb 0.05 -1.51 0.05 0.00 -0.02 0.00 0.00 41.12 39.69 1jqj n ASP 121 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1jqj s TRP 122 N 11.23 3.22 0.30 1.24 1.48 -1.26 -5.02 118.94 130.12 1jqj s TRP 122 Ca 1.03 0.80 -0.28 0.00 -1.06 0.00 0.00 56.10 56.58 1jqj s TRP 122 Cb -0.33 -2.99 -0.09 0.00 -1.16 0.00 0.00 33.47 28.90 1jqj s TRP 122 CO 0.30 -1.12 1.05 -1.14 -4.06 0.00 0.00 176.95 171.99 1jqj s GLN 123 N -5.23 4.59 0.06 3.25 2.00 -1.26 -5.00 119.66 118.07 1jqj s GLN 123 Ca 0.57 1.68 -0.29 0.00 -2.00 0.00 0.00 55.36 55.32 1jqj s GLN 123 Cb -0.11 -3.07 -0.05 0.00 0.80 0.00 0.00 33.01 30.58 1jqj s GLN 123 CO 0.48 0.21 0.92 0.45 -0.50 0.00 0.00 175.29 176.84 1jqj s SER 124 N -1.09 7.38 -0.00 6.67 0.15 -1.26 -4.44 113.70 121.11 1jqj s SER 124 Ca 0.46 1.66 0.15 0.00 0.70 0.00 0.00 55.95 58.93 1jqj s SER 124 Cb -0.29 -2.55 -0.17 0.00 -1.71 0.00 0.00 66.02 61.30 1jqj s SER 124 CO 0.36 -0.11 0.66 -0.62 1.20 0.00 0.00 173.24 174.73 1jqj n GLU 125 N 3.16 1.87 -3.20 5.44 1.02 -1.19 -4.98 120.64 122.77 1jqj n GLU 125 Ca 0.02 -0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.20 1jqj n GLU 125 Cb 0.50 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.65 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 -2.47 -0.05 0.14 2.62 0.11 -1.24 -5.00 120.40 114.51 1jqj s VAL 126 Ca 0.06 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.18 1jqj s VAL 126 Cb 0.12 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1jqj s VAL 126 CO 0.64 0.00 -0.17 -1.83 -3.33 0.00 0.00 175.10 170.41 1jqj s GLU 127 N 2.00 1.14 0.06 1.54 4.04 -1.26 -0.98 118.70 125.25 1jqj s GLU 127 Ca 0.00 -1.30 -0.27 0.00 0.04 0.00 0.00 54.97 53.44 1jqj s GLU 127 Cb -0.01 -1.15 0.09 0.00 0.02 0.00 0.00 34.13 33.08 1jqj s GLU 127 CO -0.16 0.23 0.96 -0.59 -1.84 0.00 0.00 175.26 173.86 1jqj s PHE 128 N -1.96 -0.22 0.18 4.83 -0.12 -0.28 -5.00 117.98 115.41 1jqj s PHE 128 Ca 0.11 0.01 0.09 0.00 -0.05 0.00 0.00 56.93 57.09 1jqj s PHE 128 Cb -0.06 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1jqj s PHE 128 CO 0.05 -0.65 -0.18 0.99 -0.05 0.00 0.00 175.22 175.37 1jqj s THR 129 N -3.14 1.92 -0.26 -4.49 2.01 -1.26 -1.02 115.64 109.40 1jqj s THR 129 Ca 0.09 -2.02 -0.26 0.00 0.31 0.00 0.00 61.69 59.81 1jqj s THR 129 Cb -0.01 -1.94 0.15 0.00 0.01 0.00 0.00 72.50 70.71 1jqj s THR 129 CO -0.03 -0.34 1.17 -1.48 -0.69 0.00 0.00 174.62 173.25 1jqj s LEU 130 N -2.84 -0.28 -0.16 4.42 -0.00 -1.00 -4.91 118.68 113.91 1jqj s LEU 130 Ca 0.18 0.48 -0.40 0.00 -0.00 0.00 0.00 54.13 54.39 1jqj s LEU 130 Cb -0.05 1.58 -0.18 0.00 -0.00 0.00 0.00 46.19 47.55 1jqj s LEU 130 CO 0.08 -0.14 1.47 -2.65 -0.00 0.00 0.00 176.35 175.11 1jqj n PRO 131 N 1.58 0.72 -0.28 1.48 -0.02 -1.26 -3.29 135.00 133.93 1jqj n PRO 131 Ca -0.10 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 1jqj n PRO 131 Cb 0.57 -1.87 0.22 0.00 -0.02 0.00 0.00 33.50 32.40 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 5.24 0.15 -1.00 -0.52 4.20 -1.87 0.18 115.11 121.49 1jqj h GLN 132 Ca -0.47 -0.01 0.39 0.00 0.06 0.00 0.00 58.65 58.62 1jqj h GLN 132 Cb 1.35 -0.03 -0.18 0.00 0.30 0.00 0.00 27.48 28.92 1jqj h GLN 132 CO 0.85 0.10 0.45 0.00 -0.67 0.00 0.00 178.83 179.56 1jqj h ALA 133 N 1.75 1.98 0.04 3.87 0.00 -1.88 0.25 119.26 125.27 1jqj h ALA 133 Ca 0.48 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.67 1jqj h ALA 133 Cb 0.92 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jqj h ALA 133 CO -0.67 -0.88 -0.02 1.15 0.00 0.00 0.00 179.25 178.84 1jqj h THR 134 N 0.01 1.36 0.00 0.00 2.02 -0.99 -2.52 112.91 112.79 1jqj h THR 134 Ca 0.80 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1jqj h THR 134 Cb 2.04 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.79 1jqj h THR 134 CO -0.80 0.37 0.06 0.23 0.37 0.00 0.00 175.52 175.75 1jqj n MET 135 N -4.79 0.00 -0.07 6.66 2.00 0.71 -0.45 117.12 121.18 1jqj n MET 135 Ca -0.09 0.37 -0.18 0.00 0.00 0.00 0.00 57.70 57.80 1jqj n MET 135 Cb 0.32 -1.56 -0.13 0.00 0.00 0.00 0.00 33.22 31.85 1jqj n MET 135 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1jqj n LYS 136 N -1.36 0.69 -0.25 0.03 4.81 -0.21 -3.57 118.16 118.30 1jqj n LYS 136 Ca 0.00 0.19 -0.07 0.00 -0.87 0.00 0.00 58.31 57.56 1jqj n LYS 136 Cb 0.06 -1.61 0.05 0.00 0.02 0.00 0.00 35.03 33.54 1jqj n LYS 136 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1jqj h ARG 137 N 0.03 1.10 -0.30 1.64 9.65 -0.32 0.16 114.38 126.34 1jqj h ARG 137 Ca -0.50 -0.24 -0.13 0.00 -1.10 0.00 0.00 59.98 58.01 1jqj h ARG 137 Cb 1.99 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 30.40 1jqj h ARG 137 CO -0.00 0.95 -0.35 -0.07 2.80 0.00 0.00 179.97 183.29 1jqj h LEU 138 N 1.04 0.71 -0.01 3.80 3.38 -1.54 -0.44 115.31 122.24 1jqj h LEU 138 Ca 0.23 -0.30 -0.23 0.00 0.09 0.00 0.00 57.88 57.67 1jqj h LEU 138 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1jqj h LEU 138 CO -0.01 0.99 -1.05 0.40 0.09 0.00 0.00 178.44 178.87 1jqj h ILE 139 N 0.57 1.62 -0.03 1.22 2.04 -1.57 -3.26 117.51 118.09 1jqj h ILE 139 Ca 0.06 -3.19 -0.20 0.00 1.00 0.00 0.00 64.86 62.53 1jqj h ILE 139 Cb 0.87 2.82 -0.00 0.00 -0.74 0.00 0.00 36.82 39.76 1jqj h ILE 139 CO 0.08 0.92 -0.84 -0.33 0.00 0.00 0.00 178.15 177.97 1jqj h GLU 140 N 0.04 0.38 0.00 2.37 5.08 -0.60 -2.12 114.58 119.71 1jqj h GLU 140 Ca -0.05 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1jqj h GLU 140 Cb 1.79 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1jqj h GLU 140 CO 0.15 1.03 0.00 0.00 -1.00 0.00 0.00 179.01 179.19 1jqj n ALA 141 N -2.52 2.04 0.00 3.43 0.00 -0.18 -4.19 120.51 119.09 1jqj n ALA 141 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1jqj n ALA 141 Cb 0.77 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.49 0.00 0.31 0.00 -2.24 -1.23 -4.79 114.28 104.84 1jqj n THR 142 Ca 0.06 -0.03 0.17 0.00 -2.27 0.00 0.00 64.05 61.98 1jqj n THR 142 Cb 0.26 0.37 0.88 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.00 -0.00 -0.78 4.15 -1.55 -2.11 115.11 114.83 1jqj h GLN 143 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1jqj h GLN 143 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1jqj h GLN 143 CO 0.00 0.00 -0.06 1.97 -1.93 0.00 0.00 178.83 178.81 1jqj n PHE 144 N -3.02 0.00 0.69 3.99 1.16 -1.26 -3.89 117.46 115.12 1jqj n PHE 144 Ca -0.01 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.65 1jqj n PHE 144 Cb 0.34 -0.18 -0.11 0.00 -1.61 0.00 0.00 39.48 37.92 1jqj n PHE 144 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1jqj n SER 145 N -1.00 0.83 -4.74 5.98 7.64 -0.79 -4.95 113.62 116.59 1jqj n SER 145 Ca 0.16 -0.75 -0.42 0.00 1.01 0.00 0.00 58.87 58.87 1jqj n SER 145 Cb 0.25 1.16 -0.02 0.00 -1.01 0.00 0.00 64.21 64.59 1jqj n SER 145 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jqj s MET 146 N -2.82 4.12 0.90 1.43 0.23 -1.25 -2.15 119.30 119.76 1jqj s MET 146 Ca 0.04 2.59 -0.12 0.00 -1.03 0.00 0.00 55.69 57.17 1jqj s MET 146 Cb 0.13 -3.05 0.08 0.00 -1.53 0.00 0.00 34.83 30.47 1jqj s MET 146 CO 0.75 -0.69 0.85 0.00 -2.03 0.00 0.00 175.02 173.90 1jqj n ALA 147 N 2.98 -1.37 -4.07 3.16 0.00 -1.11 -4.81 120.51 115.29 1jqj n ALA 147 Ca 0.12 -0.51 -0.33 0.00 0.00 0.00 0.00 53.44 52.71 1jqj n ALA 147 Cb 0.36 -2.04 -0.16 0.00 0.00 0.00 0.00 19.45 17.62 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 -2.41 2.81 -1.52 0.00 2.46 -1.26 -4.37 115.29 111.00 1jqj s HIS 148 Ca 0.64 -1.62 -0.13 0.00 0.47 0.00 0.00 55.06 54.42 1jqj s HIS 148 Cb -0.24 -1.93 0.08 0.00 -0.13 0.00 0.00 32.58 30.35 1jqj s HIS 148 CO 0.60 -0.79 0.99 1.04 -2.47 0.00 0.00 174.74 174.10 1jqj n GLN 149 N 4.63 -5.67 -2.93 2.88 1.13 -1.26 -4.95 117.38 111.21 1jqj n GLN 149 Ca -0.21 0.62 -0.33 0.00 -1.94 0.00 0.00 57.00 55.14 1jqj n GLN 149 Cb 0.50 -5.52 -0.07 0.00 0.11 0.00 0.00 30.24 25.26 1jqj n GLN 149 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1jqj s ASP 150 N -3.27 6.93 0.42 1.08 3.68 -1.26 -4.94 116.67 119.31 1jqj s ASP 150 Ca 0.65 1.56 0.19 0.00 2.13 0.00 0.00 52.55 57.08 1jqj s ASP 150 Cb -0.32 -2.49 0.92 0.00 -1.45 0.00 0.00 42.92 39.58 1jqj s ASP 150 CO 0.81 -0.27 1.87 0.58 0.13 0.00 0.00 175.17 178.29 1jqj h VAL 151 N 2.03 0.94 -1.16 1.11 2.07 -2.02 -3.28 116.25 115.94 1jqj h VAL 151 Ca -0.48 -1.13 -0.70 0.00 0.82 0.00 0.00 66.70 65.21 1jqj h VAL 151 Cb 1.18 1.66 -0.11 0.00 -1.52 0.00 0.00 31.29 32.50 1jqj h VAL 151 CO 0.63 0.29 2.06 0.54 0.02 0.00 0.00 177.57 181.10 1jqj n ARG 152 N -3.79 3.23 -0.42 1.57 1.74 -1.26 -4.80 116.66 112.93 1jqj n ARG 152 Ca -0.01 -3.39 0.35 0.00 -0.77 0.00 0.00 57.85 54.03 1jqj n ARG 152 Cb 0.39 -3.33 0.66 0.00 -1.02 0.00 0.00 32.46 29.16 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 7.23 0.38 0.00 -1.55 -0.00 -1.99 0.56 116.97 121.61 1jqj h TYR 153 Ca 0.42 0.02 -0.00 0.00 0.00 0.00 0.00 58.73 59.17 1jqj h TYR 153 Cb 0.84 -0.10 -0.00 0.00 0.00 0.00 0.00 36.73 37.47 1jqj h TYR 153 CO 1.34 -0.07 -0.01 0.10 -0.00 0.00 0.00 178.16 179.51 1jqj h TYR 154 N 0.13 0.00 0.09 0.10 -0.00 -1.88 -1.64 116.97 113.77 1jqj h TYR 154 Ca 0.73 0.00 -0.26 0.00 0.00 0.00 0.00 58.73 59.20 1jqj h TYR 154 Cb 2.41 0.00 0.01 0.00 0.00 0.00 0.00 36.73 39.15 1jqj h TYR 154 CO -0.00 0.01 -1.14 -0.07 -0.00 0.00 0.00 178.16 176.96 1jqj h LEU 155 N 0.00 0.52 -1.13 0.10 3.38 -0.19 -3.30 115.31 114.69 1jqj h LEU 155 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1jqj h LEU 155 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jqj h LEU 155 CO 0.00 1.34 0.00 0.59 0.09 0.00 0.00 178.44 180.46 1jqj n ASN 156 N -3.64 0.12 -0.89 -0.43 3.02 -0.61 -3.26 115.26 109.56 1jqj n ASN 156 Ca -0.09 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1jqj n ASN 156 Cb 0.95 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 1jqj n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jqj n GLY 157 N 0.52 3.52 3.34 7.41 0.00 -1.25 -3.72 105.19 115.01 1jqj n GLY 157 Ca 0.00 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 1jqj n GLY 157 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jqj s MET 158 N -1.67 1.42 -0.17 1.61 1.75 -0.31 -4.74 119.30 117.20 1jqj s MET 158 Ca 0.00 -1.21 -0.05 0.00 -1.25 0.00 0.00 55.69 53.19 1jqj s MET 158 Cb 0.00 -1.75 -0.03 0.00 2.84 0.00 0.00 34.83 35.89 1jqj s MET 158 CO 0.00 0.43 -0.01 -1.17 -0.65 0.00 0.00 175.02 173.61 1jqj s LEU 159 N -1.75 3.35 -0.07 4.11 0.20 -0.92 0.11 118.68 123.72 1jqj s LEU 159 Ca 0.11 -0.10 0.02 0.00 0.69 0.00 0.00 54.13 54.85 1jqj s LEU 159 Cb -0.10 -1.82 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 1jqj s LEU 159 CO 0.04 0.16 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.79 1jqj s PHE 160 N 0.44 2.82 -0.00 5.38 0.40 0.11 -1.99 117.98 125.15 1jqj s PHE 160 Ca -0.02 -0.15 -0.10 0.00 -0.60 0.00 0.00 56.93 56.06 1jqj s PHE 160 Cb -0.14 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.70 1jqj s PHE 160 CO 0.02 0.19 0.19 -1.83 0.70 0.00 0.00 175.22 174.49 1jqj s GLU 161 N -0.58 0.55 0.14 0.44 -1.05 -0.63 0.42 118.70 118.00 1jqj s GLU 161 Ca 0.08 -0.35 0.11 0.00 -0.15 0.00 0.00 54.97 54.66 1jqj s GLU 161 Cb -0.12 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.77 1jqj s GLU 161 CO 0.02 -0.14 -0.26 0.95 0.95 0.00 0.00 175.26 176.78 1jqj s THR 162 N -1.43 2.25 0.00 1.83 -4.23 0.79 -1.60 115.64 113.25 1jqj s THR 162 Ca -0.14 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1jqj s THR 162 Cb -0.07 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1jqj s THR 162 CO 0.02 0.03 0.00 -1.84 -0.54 0.00 0.00 174.62 172.29 1jqj n GLU 163 N 0.76 0.00 0.00 3.99 0.28 -0.93 -2.32 120.64 122.43 1jqj n GLU 163 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 1jqj n GLU 163 Cb 0.54 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.41 1jqj n GLU 163 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jqj n GLY 164 N 0.00 -0.45 1.83 -1.84 0.00 -1.19 -2.90 105.19 100.65 1jqj n GLY 164 Ca 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 1.78 -4.22 1.61 1.02 -1.26 -2.40 120.64 117.17 1jqj n GLU 165 Ca 0.00 -1.58 -0.20 0.00 -0.02 0.00 0.00 57.16 55.36 1jqj n GLU 165 Cb 0.00 -1.62 -0.16 0.00 -0.02 0.00 0.00 31.44 29.64 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 -1.82 0.84 0.01 3.49 2.12 -1.14 -1.27 118.70 120.93 1jqj s GLU 166 Ca 0.31 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.51 1jqj s GLU 166 Cb 0.25 -0.82 -0.04 0.00 0.26 0.00 0.00 34.13 33.78 1jqj s GLU 166 CO 0.01 -0.03 0.01 -1.17 -0.54 0.00 0.00 175.26 173.54 1jqj s LEU 167 N 0.70 3.54 0.00 2.70 2.96 -0.30 -2.18 118.68 126.10 1jqj s LEU 167 Ca -0.10 -0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 53.65 1jqj s LEU 167 Cb -0.13 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.52 1jqj s LEU 167 CO 0.00 0.27 0.32 0.00 -1.32 0.00 0.00 176.35 175.62 1jqj s ARG 168 N -1.67 0.73 0.16 1.98 1.70 -0.63 -0.61 118.95 120.61 1jqj s ARG 168 Ca 0.21 -0.28 0.09 0.00 -0.47 0.00 0.00 55.73 55.27 1jqj s ARG 168 Cb -0.12 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 1jqj s ARG 168 CO 0.12 -0.21 -0.19 0.99 -1.08 0.00 0.00 175.30 174.92 1jqj s THR 169 N -1.74 1.88 -0.05 4.99 2.01 0.13 -1.60 115.64 121.26 1jqj s THR 169 Ca -0.11 -1.88 -0.12 0.00 0.31 0.00 0.00 61.69 59.90 1jqj s THR 169 Cb -0.04 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.65 1jqj s THR 169 CO 0.02 -0.25 0.27 0.68 -0.69 0.00 0.00 174.62 174.65 1jqj s VAL 170 N -1.86 0.04 -0.11 3.82 -7.23 -0.84 -0.33 120.40 113.89 1jqj s VAL 170 Ca 0.15 -0.34 -0.10 0.00 -1.81 0.00 0.00 61.98 59.88 1jqj s VAL 170 Cb -0.07 -0.51 0.03 0.00 0.56 0.00 0.00 36.38 36.40 1jqj s VAL 170 CO 0.07 -0.19 0.29 0.00 -0.31 0.00 0.00 175.10 174.96 1jqj s ALA 171 N -0.79 -0.72 0.03 1.32 0.00 0.09 -2.15 121.76 119.54 1jqj s ALA 171 Ca -0.09 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 52.53 1jqj s ALA 171 Cb -0.04 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.62 1jqj s ALA 171 CO 0.02 -0.14 0.41 -0.08 0.00 0.00 0.00 175.76 175.97 1jqj s THR 172 N 0.22 0.05 0.00 0.00 -1.32 -1.20 0.14 115.64 113.53 1jqj s THR 172 Ca -0.01 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 1jqj s THR 172 Cb -0.02 -0.91 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1jqj s THR 172 CO -0.00 -0.24 0.64 -0.90 -2.21 0.00 0.00 174.62 171.91 1jqj n ASP 173 N 0.63 1.23 0.00 8.08 5.75 -0.92 -2.74 116.55 128.59 1jqj n ASP 173 Ca -0.19 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1jqj n ASP 173 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1jqj n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jqj n GLY 174 N -0.18 0.60 0.00 6.12 0.00 -1.26 -4.84 105.19 105.63 1jqj n GLY 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.01 0.00 -3.92 1.61 8.25 -1.26 -5.00 115.22 112.89 1jqj n HIS 175 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1jqj n HIS 175 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.68 1.22 -0.04 -0.41 1.04 -1.26 -1.25 118.95 116.56 1jqj s ARG 176 Ca 0.00 -1.12 -0.21 0.00 -1.04 0.00 0.00 55.73 53.36 1jqj s ARG 176 Cb 0.00 0.41 0.04 0.00 -2.04 0.00 0.00 34.95 33.36 1jqj s ARG 176 CO 0.00 -0.47 0.46 -1.17 -0.04 0.00 0.00 175.30 174.08 1jqj s LEU 177 N -2.95 0.25 -0.02 -1.89 0.20 -0.45 -2.65 118.68 111.16 1jqj s LEU 177 Ca 0.16 0.39 0.05 0.00 0.69 0.00 0.00 54.13 55.43 1jqj s LEU 177 Cb 0.02 1.76 -0.01 0.00 -0.43 0.00 0.00 46.19 47.53 1jqj s LEU 177 CO 0.00 -0.48 -0.18 0.00 -0.29 0.00 0.00 176.35 175.40 1jqj s ALA 178 N -1.13 1.53 -0.04 5.97 0.00 0.37 -2.16 121.76 126.30 1jqj s ALA 178 Ca -0.11 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1jqj s ALA 178 Cb -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1jqj s ALA 178 CO 0.06 0.36 -0.09 0.08 0.00 0.00 0.00 175.76 176.17 1jqj s VAL 179 N -0.37 0.81 -0.04 0.00 1.01 -0.76 -0.73 120.40 120.32 1jqj s VAL 179 Ca 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1jqj s VAL 179 Cb -0.08 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1jqj s VAL 179 CO -0.00 0.27 0.10 0.00 0.00 0.00 0.00 175.10 175.46 1jqj s SER 181 N 0.60 1.46 0.07 0.00 0.01 -0.56 0.17 113.70 115.45 1jqj s SER 181 Ca -0.05 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.03 1jqj s SER 181 Cb -0.06 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 1jqj s SER 181 CO -0.03 0.03 -0.15 -0.04 0.41 0.00 0.00 173.24 173.46 1jqj s MET 182 N 0.55 0.89 0.20 12.44 -1.94 0.22 -4.75 119.30 126.91 1jqj s MET 182 Ca -0.10 -0.94 -0.27 0.00 -1.71 0.00 0.00 55.69 52.67 1jqj s MET 182 Cb -0.13 -0.94 -0.08 0.00 2.01 0.00 0.00 34.83 35.69 1jqj s MET 182 CO 0.02 0.22 0.84 -1.25 -0.01 0.00 0.00 175.02 174.83 1jqj s PRO 183 N -1.62 4.66 -0.03 2.03 0.04 -1.26 -1.15 135.00 137.66 1jqj s PRO 183 Ca 0.00 1.27 0.10 0.00 0.04 0.00 0.00 61.00 62.40 1jqj s PRO 183 Cb -0.09 -3.24 -0.15 0.00 0.04 0.00 0.00 34.50 31.06 1jqj s PRO 183 CO 0.02 0.54 0.17 0.44 0.04 0.00 0.00 177.00 178.21 1jqj n ILE 184 N 1.49 0.17 -1.32 0.56 -5.35 -0.40 -4.90 119.36 109.61 1jqj n ILE 184 Ca -0.04 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1jqj n ILE 184 Cb 0.48 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 1jqj n ILE 184 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jqj n GLY 185 N 2.06 1.00 3.53 3.28 0.00 -1.26 -4.86 105.19 108.93 1jqj n GLY 185 Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.90 0.57 -0.62 1.61 -0.21 -1.26 -5.10 119.66 111.74 1jqj s GLN 186 Ca 0.00 1.33 -0.27 0.00 0.02 0.00 0.00 55.36 56.44 1jqj s GLN 186 Cb 0.00 0.79 -0.01 0.00 1.00 0.00 0.00 33.01 34.79 1jqj s GLN 186 CO 0.00 -0.29 1.69 -1.54 -2.12 0.00 0.00 175.29 173.03 1jqj s SER 187 N 2.88 5.58 0.17 5.90 1.04 -1.26 -4.27 113.70 123.74 1jqj s SER 187 Ca 0.00 0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.70 1jqj s SER 187 Cb -0.12 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 1jqj s SER 187 CO -0.19 -2.16 0.19 -0.76 0.98 0.00 0.00 173.24 171.30 1jqj s LEU 188 N 7.94 3.97 0.73 2.42 1.43 -1.01 -4.97 118.68 129.20 1jqj s LEU 188 Ca 0.60 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 1jqj s LEU 188 Cb -0.12 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.57 1jqj s LEU 188 CO 0.21 0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.77 1jqj s PRO 189 N -3.23 2.47 -0.05 1.29 0.04 -1.26 -3.17 135.00 131.09 1jqj s PRO 189 Ca 0.32 1.22 -0.21 0.00 0.04 0.00 0.00 61.00 62.37 1jqj s PRO 189 Cb -0.10 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1jqj s PRO 189 CO 0.25 -1.48 0.62 -1.54 0.04 0.00 0.00 177.00 174.89 1jqj s SER 190 N -3.16 6.93 0.07 6.66 1.04 -1.25 -4.30 113.70 119.68 1jqj s SER 190 Ca 0.63 1.11 -0.16 0.00 0.48 0.00 0.00 55.95 58.00 1jqj s SER 190 Cb -0.18 -2.37 0.03 0.00 0.10 0.00 0.00 66.02 63.60 1jqj s SER 190 CO 0.51 -0.01 0.38 -2.28 0.98 0.00 0.00 173.24 172.83 1jqj s HIS 191 N 0.39 -0.21 -0.04 5.02 5.04 -0.98 -4.94 115.29 119.58 1jqj s HIS 191 Ca 0.33 0.05 0.00 0.00 -1.54 0.00 0.00 55.06 53.90 1jqj s HIS 191 Cb -0.17 0.20 0.03 0.00 0.04 0.00 0.00 32.58 32.67 1jqj s HIS 191 CO 0.16 -0.60 -0.01 -1.12 -2.34 0.00 0.00 174.74 170.83 1jqj s SER 192 N -2.29 0.75 0.04 9.88 0.01 -1.26 -0.15 113.70 120.67 1jqj s SER 192 Ca -0.02 -0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.17 1jqj s SER 192 Cb 0.00 -0.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1jqj s SER 192 CO -0.06 -0.10 -0.03 0.68 0.41 0.00 0.00 173.24 174.14 1jqj s VAL 193 N 1.14 0.21 -0.39 3.43 -7.23 0.17 -4.97 120.40 112.76 1jqj s VAL 193 Ca -0.08 -1.42 -0.06 0.00 -1.81 0.00 0.00 61.98 58.61 1jqj s VAL 193 Cb -0.14 -0.97 0.08 0.00 0.56 0.00 0.00 36.38 35.91 1jqj s VAL 193 CO -0.02 -0.76 0.19 -0.63 -0.31 0.00 0.00 175.10 173.57 1jqj s ILE 194 N -2.79 3.79 -0.16 -0.62 1.01 -1.26 0.07 121.20 121.24 1jqj s ILE 194 Ca -0.03 -1.50 -0.24 0.00 0.00 0.00 0.00 60.65 58.88 1jqj s ILE 194 Cb -0.00 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1jqj s ILE 194 CO -0.06 -0.44 0.78 -0.69 0.00 0.00 0.00 174.94 174.53 1jqj s VAL 195 N 1.34 4.93 1.08 2.92 1.01 0.12 -0.54 120.40 131.25 1jqj s VAL 195 Ca 0.02 1.52 -0.16 0.00 0.00 0.00 0.00 61.98 63.37 1jqj s VAL 195 Cb -0.22 -4.09 0.13 0.00 0.00 0.00 0.00 36.38 32.20 1jqj s VAL 195 CO 0.00 0.07 0.36 -2.65 0.00 0.00 0.00 175.10 172.89 1jqj n PRO 196 N 5.00 -1.40 0.10 2.72 -0.02 -1.26 -1.16 135.00 138.98 1jqj n PRO 196 Ca 0.03 -0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.00 1jqj n PRO 196 Cb 0.49 -1.87 -0.08 0.00 -0.02 0.00 0.00 33.50 32.03 1jqj n PRO 196 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1jqj h ARG 197 N -2.06 -0.28 -0.89 -0.52 0.11 -1.92 -2.37 114.38 106.44 1jqj h ARG 197 Ca -0.52 0.02 0.20 0.00 0.10 0.00 0.00 59.98 59.78 1jqj h ARG 197 Cb 1.33 0.06 -0.16 0.00 1.11 0.00 0.00 29.97 32.31 1jqj h ARG 197 CO 0.40 0.09 -0.12 0.87 0.10 0.00 0.00 179.97 181.31 1jqj h LYS 198 N -0.74 0.02 0.00 0.08 6.56 -1.91 0.66 116.57 121.24 1jqj h LYS 198 Ca -0.03 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1jqj h LYS 198 Cb 0.50 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1jqj h LYS 198 CO 0.05 0.01 0.00 0.78 -2.06 0.00 0.00 179.45 178.23 1jqj h GLY 199 N 0.02 0.00 1.54 3.86 0.00 -1.90 -1.58 103.07 105.01 1jqj h GLY 199 Ca 0.46 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.54 1jqj h GLY 199 CO -0.87 0.00 -1.32 -2.08 0.00 0.00 0.00 176.54 172.27 1jqj h VAL 200 N 0.00 1.35 0.44 4.60 2.07 0.81 -2.05 116.25 123.46 1jqj h VAL 200 Ca 0.00 -3.09 -0.02 0.00 0.82 0.00 0.00 66.70 64.41 1jqj h VAL 200 Cb 0.52 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1jqj h VAL 200 CO 0.00 0.80 -0.21 0.40 0.02 0.00 0.00 177.57 178.58 1jqj h ILE 201 N 0.01 0.36 -0.67 4.57 1.08 -0.94 -1.87 117.51 120.06 1jqj h ILE 201 Ca -0.14 -0.56 0.13 0.00 -0.39 0.00 0.00 64.86 63.90 1jqj h ILE 201 Cb 1.89 0.54 -0.13 0.00 -3.07 0.00 0.00 36.82 36.06 1jqj h ILE 201 CO 0.12 0.07 -0.18 -0.08 -0.69 0.00 0.00 178.15 177.39 1jqj h GLU 202 N -1.00 -0.01 0.00 2.37 4.22 -1.37 0.59 114.58 119.38 1jqj h GLU 202 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1jqj h GLU 202 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1jqj h GLU 202 CO 0.10 -0.01 0.00 -0.11 -2.18 0.00 0.00 179.01 176.81 1jqj n LEU 203 N -5.45 0.61 -0.01 1.64 7.94 -0.77 -1.68 117.00 119.28 1jqj n LEU 203 Ca 0.08 0.67 -0.13 0.00 -1.11 0.00 0.00 56.01 55.52 1jqj n LEU 203 Cb 0.35 -0.60 -0.14 0.00 0.53 0.00 0.00 43.42 43.56 1jqj n LEU 203 CO 0.02 -0.59 -0.59 -0.03 -1.11 0.00 0.00 177.39 175.09 1jqj h MET 204 N 0.00 0.09 0.44 1.96 4.05 0.85 -3.31 114.93 119.02 1jqj h MET 204 Ca 0.00 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.24 1jqj h MET 204 Cb 0.31 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1jqj h MET 204 CO 0.00 0.75 -0.21 -0.09 0.23 0.00 0.00 176.91 177.59 1jqj h ARG 205 N 0.03 -0.57 -0.63 0.39 2.43 0.40 -3.21 114.38 113.21 1jqj h ARG 205 Ca -0.32 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.01 1jqj h ARG 205 Cb 2.02 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 31.60 1jqj h ARG 205 CO 0.09 -0.38 0.12 0.00 -1.51 0.00 0.00 179.97 178.29 1jqj h MET 206 N -0.63 0.23 -6.23 0.20 -0.00 -1.67 -3.40 114.93 103.44 1jqj h MET 206 Ca -0.06 -0.01 -0.70 0.00 -0.00 0.00 0.00 59.70 58.93 1jqj h MET 206 Cb 0.45 -0.05 0.05 0.00 -0.00 0.00 0.00 31.60 32.05 1jqj h MET 206 CO 0.10 0.15 0.44 1.28 -0.00 0.00 0.00 176.91 178.88 1jqj n LEU 207 N -5.16 1.49 -3.15 -0.10 4.77 -1.21 -4.86 117.00 108.78 1jqj n LEU 207 Ca 0.10 1.12 0.04 0.00 -0.03 0.00 0.00 56.01 57.24 1jqj n LEU 207 Cb 0.35 -1.15 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 1jqj n LEU 207 CO 0.15 -1.11 0.93 1.51 -1.33 0.00 0.00 177.39 177.55 1jqj s ASP 208 N 0.64 -0.01 0.00 -1.43 -4.77 -1.26 -4.95 116.67 104.90 1jqj s ASP 208 Ca 0.86 0.01 0.00 0.00 -3.30 0.00 0.00 52.55 50.12 1jqj s ASP 208 Cb -1.00 1.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.84 1jqj s ASP 208 CO 0.49 -0.00 0.00 0.61 0.70 0.00 0.00 175.17 176.97 1jqj n GLY 209 N 4.64 0.00 3.13 2.12 0.00 -1.26 -4.73 105.19 109.09 1jqj n GLY 209 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1jqj n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqj n GLY 210 N 0.00 -3.86 1.56 -0.02 0.00 -1.26 -4.73 105.19 96.88 1jqj n GLY 210 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 1jqj n GLY 210 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jqj n ASP 211 N 2.11 3.35 -3.81 1.61 8.00 -1.26 -4.56 116.55 121.99 1jqj n ASP 211 Ca 0.01 -2.74 -0.32 0.00 0.71 0.00 0.00 54.79 52.45 1jqj n ASP 211 Cb 0.55 -0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 40.92 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 -0.25 4.06 -4.16 -2.24 3.02 -1.26 -5.03 115.26 109.40 1jqj n ASN 212 Ca 0.27 -3.30 -0.24 0.00 -0.03 0.00 0.00 54.58 51.28 1jqj n ASN 212 Cb 1.04 -0.88 -0.20 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.59 0.00 -0.86 3.52 -0.02 -1.26 -4.60 135.00 133.36 1jqj n PRO 213 Ca 0.25 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 1jqj n PRO 213 Cb 0.37 -1.03 -0.05 0.00 -0.02 0.00 0.00 33.50 32.77 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 6.16 0.59 -4.48 2.45 7.94 -1.21 -4.49 117.00 123.97 1jqj n LEU 214 Ca 0.62 0.59 -0.40 0.00 -1.11 0.00 0.00 56.01 55.71 1jqj n LEU 214 Cb 0.11 -0.43 -0.11 0.00 0.53 0.00 0.00 43.42 43.51 1jqj n LEU 214 CO 0.98 -0.42 -0.14 -0.13 -1.11 0.00 0.00 177.39 176.57 1jqj s ARG 215 N 1.46 3.30 -0.03 1.96 0.52 -1.10 -2.39 118.95 122.68 1jqj s ARG 215 Ca 0.52 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1jqj s ARG 215 Cb -0.74 -3.75 -0.03 0.00 0.52 0.00 0.00 34.95 30.94 1jqj s ARG 215 CO 0.40 -0.51 0.00 0.08 0.02 0.00 0.00 175.30 175.30 1jqj s VAL 216 N 1.67 4.21 -0.18 3.52 1.01 -0.19 0.38 120.40 130.81 1jqj s VAL 216 Ca 0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1jqj s VAL 216 Cb -0.18 -2.84 0.06 0.00 0.00 0.00 0.00 36.38 33.42 1jqj s VAL 216 CO 0.09 0.45 0.04 -1.10 0.00 0.00 0.00 175.10 174.58 1jqj s GLN 217 N -1.35 0.56 0.69 2.72 -0.21 0.34 -1.13 119.66 121.29 1jqj s GLN 217 Ca 0.18 -0.31 0.01 0.00 0.02 0.00 0.00 55.36 55.26 1jqj s GLN 217 Cb -0.11 -1.93 0.12 0.00 1.00 0.00 0.00 33.01 32.08 1jqj s GLN 217 CO 0.08 -0.60 0.95 0.42 -2.12 0.00 0.00 175.29 174.02 1jqj s ILE 218 N 1.91 2.17 -2.35 1.08 1.09 -0.15 -0.76 121.20 124.19 1jqj s ILE 218 Ca 0.00 -0.65 0.00 0.00 -1.10 0.00 0.00 60.65 58.90 1jqj s ILE 218 Cb -0.16 -2.51 0.00 0.00 -1.06 0.00 0.00 42.46 38.73 1jqj s ILE 218 CO -0.08 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.37 1jqj n GLY 219 N -2.73 -1.06 0.05 6.18 0.00 -0.50 -3.14 105.19 104.00 1jqj n GLY 219 Ca 0.15 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 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 0.96 -0.12 -0.40 1.61 3.41 -1.26 -3.68 113.62 114.14 1jqj n SER 220 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1jqj n SER 220 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 -3.04 0.00 -3.96 4.04 3.02 -1.26 -5.03 115.26 109.03 1jqj n ASN 221 Ca 0.00 -1.48 -0.09 0.00 -0.03 0.00 0.00 54.58 52.98 1jqj n ASN 221 Cb 0.03 -0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.48 0.15 0.16 6.41 0.01 -1.24 -0.83 114.94 119.12 1jqj s ASN 222 Ca 0.00 -0.85 -0.05 0.00 -0.71 0.00 0.00 52.86 51.25 1jqj s ASN 222 Cb 0.00 0.36 -0.02 0.00 0.41 0.00 0.00 41.25 42.00 1jqj s ASN 222 CO 0.00 -0.78 0.19 -0.51 -1.51 0.00 0.00 177.10 174.49 1jqj s ILE 223 N -3.94 0.07 -0.12 0.60 2.07 0.07 -1.40 121.20 118.55 1jqj s ILE 223 Ca 0.13 -1.67 -0.30 0.00 -1.41 0.00 0.00 60.65 57.40 1jqj s ILE 223 Cb 0.05 -2.03 0.12 0.00 0.13 0.00 0.00 42.46 40.72 1jqj s ILE 223 CO -0.05 -0.30 0.94 0.00 -1.91 0.00 0.00 174.94 173.62 1jqj s ARG 224 N -4.03 0.69 -0.08 3.50 1.70 0.06 -1.33 118.95 119.47 1jqj s ARG 224 Ca 0.23 0.07 0.04 0.00 -0.47 0.00 0.00 55.73 55.59 1jqj s ARG 224 Cb 0.05 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 1jqj s ARG 224 CO 0.03 -0.24 -0.20 0.00 -1.08 0.00 0.00 175.30 173.81 1jqj s ALA 225 N -1.54 1.83 -0.73 7.88 0.00 -0.01 -0.50 121.76 128.70 1jqj s ALA 225 Ca -0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 1jqj s ALA 225 Cb -0.01 -0.70 0.19 0.00 0.00 0.00 0.00 23.12 22.60 1jqj s ALA 225 CO 0.00 0.24 0.61 -1.01 0.00 0.00 0.00 175.76 175.60 1jqj s HIS 226 N 0.40 3.58 -1.15 0.00 0.09 0.16 -1.78 115.29 116.58 1jqj s HIS 226 Ca -0.16 -2.39 -0.05 0.00 -0.00 0.00 0.00 55.06 52.46 1jqj s HIS 226 Cb -0.17 -3.49 0.25 0.00 -0.00 0.00 0.00 32.58 29.17 1jqj s HIS 226 CO 0.07 -0.91 1.72 0.28 -0.00 0.00 0.00 174.74 175.90 1jqj n VAL 227 N 3.66 5.13 0.00 -0.90 0.31 -0.04 -2.70 118.33 123.80 1jqj n VAL 227 Ca 0.11 -5.36 0.00 0.00 -0.01 0.00 0.00 64.34 59.09 1jqj n VAL 227 Cb 0.42 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1jqj n VAL 227 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jqj n GLY 228 N 1.62 1.87 0.07 2.92 0.00 -1.26 -3.23 105.19 107.17 1jqj n GLY 228 Ca 0.35 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 7.82 0.66 -4.74 1.61 5.75 -1.26 -4.83 116.55 121.57 1jqj n ASP 229 Ca 0.00 0.08 -0.37 0.00 -0.01 0.00 0.00 54.79 54.49 1jqj n ASP 229 Cb 0.00 0.65 -0.06 0.00 -1.03 0.00 0.00 41.12 40.68 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 -3.29 3.52 -0.49 2.11 0.40 -1.20 -2.49 117.98 116.55 1jqj s PHE 230 Ca 0.01 0.82 0.03 0.00 -0.60 0.00 0.00 56.93 57.20 1jqj s PHE 230 Cb 0.12 -2.46 0.15 0.00 0.51 0.00 0.00 43.02 41.34 1jqj s PHE 230 CO 0.79 0.24 0.31 0.42 0.70 0.00 0.00 175.22 177.68 1jqj s ILE 231 N 0.39 1.54 0.17 0.64 1.09 -1.03 -0.86 121.20 123.15 1jqj s ILE 231 Ca 0.23 -2.94 -0.30 0.00 -1.10 0.00 0.00 60.65 56.54 1jqj s ILE 231 Cb -0.15 -2.06 -0.07 0.00 -1.06 0.00 0.00 42.46 39.12 1jqj s ILE 231 CO 0.09 -0.98 0.93 0.12 -0.10 0.00 0.00 174.94 175.00 1jqj s PHE 232 N -0.09 3.90 -0.14 3.97 5.36 -0.73 -3.76 117.98 126.50 1jqj s PHE 232 Ca 0.22 1.84 -0.03 0.00 -0.96 0.00 0.00 56.93 58.00 1jqj s PHE 232 Cb -0.15 -2.99 0.05 0.00 -0.34 0.00 0.00 43.02 39.58 1jqj s PHE 232 CO -0.07 0.35 0.05 0.99 -1.46 0.00 0.00 175.22 175.08 1jqj s THR 233 N -0.65 0.23 -0.05 0.12 2.01 -0.87 -0.83 115.64 115.61 1jqj s THR 233 Ca 0.43 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 1jqj s THR 233 Cb -0.25 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1jqj s THR 233 CO 0.30 -0.07 0.05 -0.55 -0.69 0.00 0.00 174.62 173.67 1jqj s SER 234 N 2.01 5.53 0.48 3.53 0.15 -0.44 -1.29 113.70 123.67 1jqj s SER 234 Ca 0.02 0.16 -0.14 0.00 0.70 0.00 0.00 55.95 56.69 1jqj s SER 234 Cb -0.15 -1.59 -0.07 0.00 -1.71 0.00 0.00 66.02 62.50 1jqj s SER 234 CO -0.07 0.33 0.91 -0.75 1.20 0.00 0.00 173.24 174.86 1jqj s LYS 235 N -1.32 3.88 0.25 5.44 2.20 0.20 -0.75 119.74 129.64 1jqj s LYS 235 Ca 0.18 0.77 0.06 0.00 -0.36 0.00 0.00 55.97 56.62 1jqj s LYS 235 Cb -0.12 -2.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.94 1jqj s LYS 235 CO 0.08 -0.19 0.30 -0.51 -0.36 0.00 0.00 175.35 174.67 1jqj s LEU 236 N -4.01 4.12 0.03 5.43 1.43 -0.01 -4.38 118.68 121.28 1jqj s LEU 236 Ca 0.56 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1jqj s LEU 236 Cb -0.10 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1jqj s LEU 236 CO 0.32 -0.07 0.19 -0.69 0.23 0.00 0.00 176.35 176.32 1jqj s VAL 237 N -2.04 5.34 -0.03 -1.59 1.01 0.29 -4.96 120.40 118.43 1jqj s VAL 237 Ca 0.34 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1jqj s VAL 237 Cb -0.09 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1jqj s VAL 237 CO 0.28 0.24 -0.19 1.51 0.00 0.00 0.00 175.10 176.93 1jqj s ASP 238 N -2.20 2.33 0.00 3.32 1.47 -1.26 -4.04 116.67 116.30 1jqj s ASP 238 Ca 0.31 -0.37 0.00 0.00 1.18 0.00 0.00 52.55 53.67 1jqj s ASP 238 Cb -0.13 -0.43 0.00 0.00 -0.34 0.00 0.00 42.92 42.02 1jqj s ASP 238 CO 0.23 0.21 0.00 0.61 0.68 0.00 0.00 175.17 176.90 1jqj n GLY 239 N 2.82 0.42 3.54 2.12 0.00 -1.26 -4.85 105.19 107.99 1jqj n GLY 239 Ca -0.16 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 3.40 -0.16 1.61 1.81 -1.26 -4.98 118.95 117.37 1jqj s ARG 240 Ca 0.00 -0.07 -0.20 0.00 -1.72 0.00 0.00 55.73 53.74 1jqj s ARG 240 Cb 0.00 -4.04 -0.03 0.00 -0.45 0.00 0.00 34.95 30.43 1jqj s ARG 240 CO 0.00 -1.58 0.58 0.12 -0.68 0.00 0.00 175.30 173.74 1jqj s PHE 241 N 4.38 3.44 0.38 -0.53 5.36 -1.26 -4.99 117.98 124.75 1jqj s PHE 241 Ca 0.35 0.94 -0.15 0.00 -0.96 0.00 0.00 56.93 57.12 1jqj s PHE 241 Cb -0.10 -2.71 -0.12 0.00 -0.34 0.00 0.00 43.02 39.74 1jqj s PHE 241 CO 0.21 -0.03 -0.05 -0.35 -1.46 0.00 0.00 175.22 173.54 1jqj n PRO 242 N 4.44 0.00 -2.96 10.12 -0.04 -1.26 -4.86 135.00 140.44 1jqj n PRO 242 Ca -0.03 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 1jqj n PRO 242 Cb 0.51 -0.79 -0.05 0.00 -0.04 0.00 0.00 33.50 33.12 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 -0.79 6.30 0.62 3.54 -1.08 -1.26 -4.91 116.67 119.08 1jqj s ASP 243 Ca 0.46 -0.55 0.26 0.00 -0.52 0.00 0.00 52.55 52.20 1jqj s ASP 243 Cb -0.43 -2.38 1.30 0.00 -1.46 0.00 0.00 42.92 39.95 1jqj s ASP 243 CO 0.52 -1.09 1.72 0.10 0.52 0.00 0.00 175.17 176.94 1jqj h TYR 244 N 9.18 0.00 0.00 -5.34 -0.00 -2.00 0.32 116.97 119.13 1jqj h TYR 244 Ca -0.27 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.29 1jqj h TYR 244 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.79 1jqj h TYR 244 CO 0.85 0.00 -0.82 0.00 -0.00 0.00 0.00 178.16 178.19 1jqj h ARG 245 N 0.00 0.00 0.00 0.10 3.08 -1.97 -3.22 114.38 112.37 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 1.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.48 1jqj h ARG 245 CO -0.00 0.82 0.00 0.54 -1.07 0.00 0.00 179.97 180.25 1jqj n ARG 246 N -3.41 0.89 -0.03 0.04 1.74 0.10 -3.50 116.66 112.49 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 0.83 -1.30 -0.04 0.00 -1.02 0.00 0.00 32.46 30.93 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 -0.80 0.37 -1.58 1.55 0.24 -1.22 -5.00 118.33 111.89 1jqj n VAL 247 Ca 0.13 -0.21 -0.54 0.00 -2.04 0.00 0.00 64.34 61.68 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 -2.31 1.36 -4.59 1.34 4.77 -1.22 -4.72 117.00 111.63 1jqj n LEU 248 Ca -0.09 1.13 -0.50 0.00 -0.03 0.00 0.00 56.01 56.51 1jqj n LEU 248 Cb 0.66 -1.13 -0.05 0.00 -2.33 0.00 0.00 43.42 40.58 1jqj n LEU 248 CO 0.10 -1.17 0.84 -0.81 -1.33 0.00 0.00 177.39 175.02 1jqj n PRO 249 N 2.55 1.26 -2.98 3.23 -0.04 -1.26 -4.89 135.00 132.88 1jqj n PRO 249 Ca 0.19 0.45 -0.43 0.00 -0.04 0.00 0.00 63.50 63.68 1jqj n PRO 249 Cb 0.16 -2.04 -0.05 0.00 -0.04 0.00 0.00 33.50 31.53 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 0.05 3.33 -0.50 0.54 2.47 -1.26 -4.55 119.74 119.83 1jqj s LYS 250 Ca 0.78 -0.28 -0.23 0.00 -1.56 0.00 0.00 55.97 54.67 1jqj s LYS 250 Cb -0.87 -3.99 0.03 0.00 -1.46 0.00 0.00 37.83 31.54 1jqj s LYS 250 CO 0.49 -1.21 0.64 0.09 0.16 0.00 0.00 175.35 175.52 1jqj n ASN 251 N 6.78 -6.62 -4.70 1.43 3.02 -1.26 -4.94 115.26 108.96 1jqj n ASN 251 Ca 0.00 0.05 -0.39 0.00 -0.03 0.00 0.00 54.58 54.22 1jqj n ASN 251 Cb 0.48 -3.47 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 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 -2.79 4.33 -0.04 3.52 0.04 -1.26 -5.00 135.00 133.79 1jqj s PRO 252 Ca 0.26 0.58 -0.15 0.00 0.04 0.00 0.00 61.00 61.74 1jqj s PRO 252 Cb -0.05 -3.48 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 1jqj s PRO 252 CO 0.83 0.03 0.60 0.38 0.04 0.00 0.00 177.00 178.88 1jqj h ASP 253 N 6.95 -0.41 -2.81 6.66 2.03 -1.90 -3.45 116.42 123.49 1jqj h ASP 253 Ca -0.38 -0.02 -0.52 0.00 -0.73 0.00 0.00 57.03 55.37 1jqj h ASP 253 Cb 1.17 0.10 0.04 0.00 -0.83 0.00 0.00 39.33 39.82 1jqj h ASP 253 CO 0.76 0.04 0.89 -0.54 -1.03 0.00 0.00 179.24 179.36 1jqj s LYS 254 N -3.21 4.21 0.03 4.15 1.02 -1.16 -4.80 119.74 119.99 1jqj s LYS 254 Ca -0.08 2.37 0.03 0.00 0.02 0.00 0.00 55.97 58.31 1jqj s LYS 254 Cb 0.01 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1jqj s LYS 254 CO 0.24 -0.62 -0.10 -1.01 -0.92 0.00 0.00 175.35 172.94 1jqj s HIS 255 N 1.25 0.89 -0.05 3.18 3.76 -1.19 -0.45 115.29 122.68 1jqj s HIS 255 Ca 0.70 -0.33 -0.15 0.00 -0.15 0.00 0.00 55.06 55.14 1jqj s HIS 255 Cb -0.44 -0.54 0.03 0.00 1.11 0.00 0.00 32.58 32.75 1jqj s HIS 255 CO 0.31 -0.01 0.34 -0.48 -0.85 0.00 0.00 174.74 174.05 1jqj s LEU 256 N -0.99 0.72 -0.20 0.89 0.05 -0.53 -2.11 118.68 116.51 1jqj s LEU 256 Ca -0.01 0.28 -0.03 0.00 0.05 0.00 0.00 54.13 54.42 1jqj s LEU 256 Cb -0.07 1.32 0.06 0.00 -2.05 0.00 0.00 46.19 45.45 1jqj s LEU 256 CO 0.01 -0.37 0.04 -0.70 -0.55 0.00 0.00 176.35 174.77 1jqj s GLU 257 N -0.93 0.67 0.00 1.48 -6.30 -0.77 0.37 118.70 113.22 1jqj s GLU 257 Ca -0.10 -0.46 0.00 0.00 -2.50 0.00 0.00 54.97 51.91 1jqj s GLU 257 Cb -0.04 -2.11 0.00 0.00 0.00 0.00 0.00 34.13 31.97 1jqj s GLU 257 CO 0.04 -0.66 0.00 0.00 0.02 0.00 0.00 175.26 174.66 1jqj n ALA 258 N 5.04 0.00 -2.92 6.30 0.00 -0.09 -2.89 120.51 125.95 1jqj n ALA 258 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 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 -0.05 1.72 0.13 0.00 0.00 -1.26 -2.49 107.32 105.37 1jqj s GLY 259 Ca 0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 44.72 43.68 1jqj s GLY 259 CO 0.00 -0.13 1.67 0.00 0.00 0.00 0.00 173.10 174.64 1jqj h ASP 261 N -0.16 0.00 0.25 0.00 -0.00 -1.85 -2.67 116.42 111.99 1jqj h ASP 261 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 57.03 56.99 1jqj h ASP 261 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.63 1jqj h ASP 261 CO -0.25 0.40 -0.54 0.25 -0.00 0.00 0.00 179.24 179.10 1jqj h LEU 262 N 0.00 0.34 -0.03 0.15 5.85 -1.83 -1.93 115.31 117.86 1jqj h LEU 262 Ca -0.04 -0.18 -0.24 0.00 0.84 0.00 0.00 57.88 58.26 1jqj h LEU 262 Cb 1.34 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1jqj h LEU 262 CO 0.05 0.82 -1.08 -0.07 -0.34 0.00 0.00 178.44 177.81 1jqj h LEU 263 N 0.24 0.35 -0.12 2.25 3.38 -1.04 -2.40 115.31 117.97 1jqj h LEU 263 Ca 0.00 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1jqj h LEU 263 Cb 1.03 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1jqj h LEU 263 CO 0.09 1.21 -0.10 0.11 0.09 0.00 0.00 178.44 179.84 1jqj h LYS 264 N 0.10 -0.10 0.00 1.13 1.57 -1.24 -0.02 116.57 118.00 1jqj h LYS 264 Ca -0.09 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jqj h LYS 264 Cb 1.78 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.11 1jqj h LYS 264 CO 0.17 -0.07 0.00 1.04 -0.57 0.00 0.00 179.45 180.02 1jqj n GLN 265 N -5.24 0.00 -0.02 3.15 6.02 -0.75 0.54 117.38 121.08 1jqj n GLN 265 Ca -0.03 0.61 -0.01 0.00 -0.01 0.00 0.00 57.00 57.56 1jqj n GLN 265 Cb 0.16 -1.37 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 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 -2.03 -0.03 0.00 -1.58 0.00 -0.91 0.10 120.51 116.07 1jqj n ALA 266 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1jqj n ALA 266 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 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 0.05 -0.08 0.00 -1.00 -0.85 -1.04 116.94 114.02 1jqj h PHE 267 Ca 0.01 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.83 1jqj h PHE 267 Cb 0.02 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.54 1jqj h PHE 267 CO -0.36 0.02 -0.13 0.00 -1.61 0.00 0.00 178.31 176.23 1jqj h ALA 268 N 1.06 -0.08 0.10 2.45 0.00 0.33 0.44 119.26 123.55 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 0.02 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jqj h ALA 268 CO -0.05 -0.60 -0.17 0.00 0.00 0.00 0.00 179.25 178.43 1jqj h ARG 269 N -0.18 -0.28 -0.96 0.00 3.08 0.90 -0.94 114.38 116.00 1jqj h ARG 269 Ca 0.07 0.02 0.28 0.00 0.07 0.00 0.00 59.98 60.42 1jqj h ARG 269 Cb 0.29 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1jqj h ARG 269 CO -0.19 -0.19 0.72 0.00 -1.07 0.00 0.00 179.97 179.24 1jqj h ALA 270 N -1.33 2.88 0.83 0.04 0.00 -1.01 0.15 119.26 120.81 1jqj h ALA 270 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1jqj h ALA 270 Cb 0.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jqj h ALA 270 CO -0.06 -1.21 -0.45 0.00 0.00 0.00 0.00 179.25 177.53 1jqj h ALA 271 N 1.46 -1.20 -0.55 0.00 0.00 0.12 -0.76 119.26 118.33 1jqj h ALA 271 Ca 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1jqj h ALA 271 Cb 1.89 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 20.18 1jqj h ALA 271 CO -0.00 -1.18 0.28 0.00 0.00 0.00 0.00 179.25 178.34 1jqj h ALA 272 N -1.06 0.71 0.00 0.00 0.00 -0.28 0.12 119.26 118.75 1jqj h ALA 272 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1jqj h ALA 272 Cb 0.93 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1jqj h ALA 272 CO 0.15 0.26 0.30 0.00 0.00 0.00 0.00 179.25 179.96 1jqj h ALA 273 N 1.12 1.30 -1.93 0.00 0.00 -0.61 -3.33 119.26 115.81 1jqj h ALA 273 Ca 0.19 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.44 1jqj h ALA 273 Cb 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.71 1jqj h ALA 273 CO -0.03 -0.30 0.23 0.45 0.00 0.00 0.00 179.25 179.61 1jqj s SER 274 N -4.48 6.23 0.40 0.00 0.15 0.03 -4.87 113.70 111.16 1jqj s SER 274 Ca -0.03 -0.94 0.22 0.00 0.70 0.00 0.00 55.95 55.90 1jqj s SER 274 Cb 0.09 -2.34 0.46 0.00 -1.71 0.00 0.00 66.02 62.52 1jqj s SER 274 CO 0.28 -1.09 1.63 -0.55 1.20 0.00 0.00 173.24 174.72 1jqj h ASN 275 N 9.19 0.00 -2.48 5.45 7.08 -1.80 -3.33 115.58 129.69 1jqj h ASN 275 Ca -0.28 0.00 -0.70 0.00 -3.08 0.00 0.00 56.30 52.24 1jqj h ASN 275 Cb 1.09 0.00 -0.35 0.00 -2.08 0.00 0.00 38.32 36.98 1jqj h ASN 275 CO 1.05 0.20 0.12 1.21 -2.08 0.00 0.00 177.43 177.93 1jqj n GLU 276 N -3.19 3.72 0.20 4.14 2.13 -1.26 -4.95 120.64 121.44 1jqj n GLU 276 Ca 0.02 -4.66 0.01 0.00 0.66 0.00 0.00 57.16 53.20 1jqj n GLU 276 Cb 0.55 -2.38 0.04 0.00 0.27 0.00 0.00 31.44 29.93 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 4.50 0.00 -0.01 5.31 1.57 -1.91 -1.71 116.57 124.33 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 1.07 0.00 0.00 1.97 -0.57 0.00 0.00 179.45 181.92 1jqj n PHE 278 N -1.96 0.00 0.64 -1.35 1.16 -1.26 -3.50 117.46 111.20 1jqj n PHE 278 Ca -0.00 -0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.69 1jqj n PHE 278 Cb 0.77 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.78 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 -0.41 0.24 -1.19 3.97 5.12 -0.64 -5.07 116.66 118.69 1jqj n ARG 279 Ca 0.21 0.05 0.16 0.00 -1.93 0.00 0.00 57.85 56.34 1jqj n ARG 279 Cb 0.23 -1.63 -0.04 0.00 -1.16 0.00 0.00 32.46 29.86 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 1.37 -1.92 3.89 -0.13 0.00 -1.23 -4.65 105.19 102.53 1jqj n GLY 280 Ca 0.03 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.95 4.87 -0.18 1.61 1.01 0.19 -1.97 120.40 123.97 1jqj s VAL 281 Ca 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1jqj s VAL 281 Cb 0.00 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1jqj s VAL 281 CO 0.00 -0.69 -0.04 -0.60 0.00 0.00 0.00 175.10 173.77 1jqj s ARG 282 N -4.31 1.38 -0.10 2.72 3.52 -0.04 -1.07 118.95 121.06 1jqj s ARG 282 Ca 0.49 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 55.40 1jqj s ARG 282 Cb -0.10 -2.10 -0.05 0.00 -1.56 0.00 0.00 34.95 31.14 1jqj s ARG 282 CO 0.38 -0.48 0.26 -0.51 -0.81 0.00 0.00 175.30 174.15 1jqj s LEU 283 N 1.62 4.36 -0.31 -0.88 1.43 -0.17 -1.29 118.68 123.43 1jqj s LEU 283 Ca -0.00 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1jqj s LEU 283 Cb -0.16 -2.30 0.09 0.00 0.03 0.00 0.00 46.19 43.85 1jqj s LEU 283 CO -0.07 0.28 0.06 -0.47 0.23 0.00 0.00 176.35 176.37 1jqj s TYR 284 N -0.50 2.56 -0.19 0.29 5.04 -0.98 -0.24 117.35 123.32 1jqj s TYR 284 Ca 0.17 -2.20 -0.13 0.00 -2.44 0.00 0.00 57.07 52.48 1jqj s TYR 284 Cb -0.14 -2.14 -0.05 0.00 0.35 0.00 0.00 41.96 39.99 1jqj s TYR 284 CO 0.06 -0.89 0.24 0.14 -1.34 0.00 0.00 175.55 173.77 1jqj s VAL 285 N 1.32 5.32 0.01 3.14 -7.23 -0.69 -1.27 120.40 121.01 1jqj s VAL 285 Ca 0.08 0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 1jqj s VAL 285 Cb -0.18 -3.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 1jqj s VAL 285 CO -0.16 0.37 -0.02 -0.94 -0.31 0.00 0.00 175.10 174.04 1jqj s SER 286 N 0.65 0.15 0.00 4.85 1.04 -0.27 -1.83 113.70 118.29 1jqj s SER 286 Ca 0.13 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1jqj s SER 286 Cb -0.13 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1jqj s SER 286 CO 0.03 -0.17 0.00 -0.62 0.98 0.00 0.00 173.24 173.46 1jqj n GLU 287 N 2.23 0.00 -4.13 4.02 -0.58 -1.26 0.95 120.64 121.86 1jqj n GLU 287 Ca -0.19 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 -0.04 0.00 -0.57 0.00 0.00 31.44 31.40 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 -1.00 -3.63 1.62 5.03 -1.26 -4.95 115.26 111.06 1jqj n ASN 288 Ca 0.00 -1.20 -0.11 0.00 0.87 0.00 0.00 54.58 54.14 1jqj n ASN 288 Cb 0.00 -2.07 -0.07 0.00 -1.02 0.00 0.00 39.78 36.62 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 -7.11 0.67 -0.30 3.52 0.74 0.27 -4.35 119.66 113.10 1jqj s GLN 289 Ca 0.15 0.85 0.00 0.00 0.05 0.00 0.00 55.36 56.41 1jqj s GLN 289 Cb -0.08 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 0.07 -1.17 -0.55 0.00 0.00 175.29 174.51 1jqj s LEU 290 N 0.51 2.62 -0.85 3.68 2.96 -0.96 -1.12 118.68 125.52 1jqj s LEU 290 Ca -0.00 -1.64 -0.17 0.00 -0.22 0.00 0.00 54.13 52.10 1jqj s LEU 290 Cb -0.05 -1.00 0.16 0.00 0.50 0.00 0.00 46.19 45.80 1jqj s LEU 290 CO -0.05 -0.39 0.94 -0.54 -1.32 0.00 0.00 176.35 174.99 1jqj s LYS 291 N 1.49 3.55 -0.49 1.98 1.02 -0.40 -2.01 119.74 124.89 1jqj s LYS 291 Ca 0.08 -2.00 -0.19 0.00 0.02 0.00 0.00 55.97 53.87 1jqj s LYS 291 Cb -0.18 -4.65 0.05 0.00 -0.52 0.00 0.00 37.83 32.53 1jqj s LYS 291 CO -0.20 -1.55 0.63 -1.50 -0.92 0.00 0.00 175.35 171.80 1jqj s ILE 292 N 1.66 4.86 -0.05 2.17 -1.16 -0.10 -2.31 121.20 126.27 1jqj s ILE 292 Ca 0.25 -0.34 0.05 0.00 -0.51 0.00 0.00 60.65 60.09 1jqj s ILE 292 Cb -0.09 -4.27 -0.02 0.00 0.61 0.00 0.00 42.46 38.69 1jqj s ILE 292 CO -0.08 -0.75 -0.20 0.28 -2.81 0.00 0.00 174.94 171.38 1jqj s THR 293 N 2.68 2.54 -0.31 4.00 -1.32 -0.41 -2.62 115.64 120.20 1jqj s THR 293 Ca 0.17 -0.91 -0.28 0.00 -1.21 0.00 0.00 61.69 59.46 1jqj s THR 293 Cb -0.18 -1.96 -0.05 0.00 -1.51 0.00 0.00 72.50 68.80 1jqj s THR 293 CO 0.14 0.58 2.21 0.00 -2.21 0.00 0.00 174.62 175.33 1jqj s ALA 294 N -0.46 2.45 -0.42 11.08 0.00 -1.26 -0.86 121.76 132.30 1jqj s ALA 294 Ca 0.05 0.49 -0.32 0.00 0.00 0.00 0.00 51.96 52.18 1jqj s ALA 294 Cb -0.12 -4.14 -0.10 0.00 0.00 0.00 0.00 23.12 18.76 1jqj s ALA 294 CO 0.01 -3.23 2.29 -1.71 0.00 0.00 0.00 175.76 173.13 1jqj n ASN 295 N 12.62 2.20 -3.37 0.00 5.15 -0.83 -4.83 115.26 126.20 1jqj n ASN 295 Ca 0.30 0.16 -0.27 0.00 -0.60 0.00 0.00 54.58 54.18 1jqj n ASN 295 Cb 0.48 -1.35 -0.08 0.00 -0.53 0.00 0.00 39.78 38.30 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 11.53 3.44 0.00 1.20 2.85 -1.26 -4.48 115.26 128.53 1jqj n ASN 296 Ca 0.41 -3.38 0.00 0.00 -0.11 0.00 0.00 54.58 51.49 1jqj n ASN 296 Cb 0.32 -0.66 0.00 0.00 1.24 0.00 0.00 39.78 40.68 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 0.83 0.00 -2.60 1.20 -0.02 -1.26 0.75 135.00 133.90 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 -2.99 5.36 0.00 -0.52 1.02 -1.26 -4.93 120.64 117.31 1jqj n GLU 298 Ca 0.00 -4.59 0.00 0.00 -0.02 0.00 0.00 57.16 52.55 1jqj n GLU 298 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 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 -0.01 0.00 -3.59 3.49 7.27 0.23 -5.13 117.38 119.64 1jqj n GLN 299 Ca 0.48 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 57.28 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 0.10 0.00 3.69 8.01 -1.26 -4.58 118.70 122.66 1jqj s GLU 300 Ca 0.00 -0.20 0.00 0.00 0.01 0.00 0.00 54.97 54.78 1jqj s GLU 300 Cb 0.00 -1.64 0.00 0.00 -4.31 0.00 0.00 34.13 28.18 1jqj s GLU 300 CO 0.00 -0.76 0.00 -0.85 0.01 0.00 0.00 175.26 173.66 1jqj n GLU 301 N 5.27 0.69 -3.97 1.61 -0.00 -1.26 -5.12 120.64 117.86 1jqj n GLU 301 Ca -0.07 0.00 -0.36 0.00 -0.00 0.00 0.00 57.16 56.73 1jqj n GLU 301 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.84 1jqj n GLU 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jqj s ALA 302 N -2.21 3.70 0.10 -1.84 0.00 -1.26 -5.10 121.76 115.15 1jqj s ALA 302 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1jqj s ALA 302 Cb 0.00 -1.89 -0.00 0.00 0.00 0.00 0.00 23.12 21.23 1jqj s ALA 302 CO 0.00 0.53 0.04 -0.85 0.00 0.00 0.00 175.76 175.47 1jqj n GLU 303 N 2.31 0.80 -4.08 0.00 0.28 -1.26 -4.57 120.64 114.13 1jqj n GLU 303 Ca -0.19 -0.83 -0.14 0.00 -0.16 0.00 0.00 57.16 55.85 1jqj n GLU 303 Cb 0.54 0.46 -0.13 0.00 1.43 0.00 0.00 31.44 33.75 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 -2.37 0.44 0.27 3.44 2.12 -1.08 -5.01 118.70 116.51 1jqj s GLU 304 Ca 0.05 -0.49 0.09 0.00 0.36 0.00 0.00 54.97 54.98 1jqj s GLU 304 Cb 0.00 -0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.07 1jqj s GLU 304 CO 0.04 0.06 0.05 0.42 -0.54 0.00 0.00 175.26 175.29 1jqj s ILE 305 N -0.85 3.54 -0.06 -3.70 1.09 -1.26 -0.93 121.20 119.03 1jqj s ILE 305 Ca -0.06 -1.80 -0.07 0.00 -1.10 0.00 0.00 60.65 57.62 1jqj s ILE 305 Cb -0.06 -2.95 0.02 0.00 -1.06 0.00 0.00 42.46 38.40 1jqj s ILE 305 CO 0.00 -0.34 0.19 -0.76 -0.10 0.00 0.00 174.94 173.93 1jqj s LEU 306 N -3.73 1.29 -1.00 2.97 1.43 -0.85 -4.96 118.68 113.84 1jqj s LEU 306 Ca 0.33 0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 53.59 1jqj s LEU 306 Cb -0.06 0.67 0.17 0.00 0.03 0.00 0.00 46.19 46.99 1jqj s LEU 306 CO 0.21 -0.10 1.15 -1.81 0.23 0.00 0.00 176.35 176.03 1jqj s ASP 307 N -0.06 6.83 0.51 2.29 1.01 -1.26 -2.26 116.67 123.73 1jqj s ASP 307 Ca -0.02 -2.54 0.08 0.00 0.71 0.00 0.00 52.55 50.79 1jqj s ASP 307 Cb -0.02 -2.35 0.04 0.00 1.01 0.00 0.00 42.92 41.60 1jqj s ASP 307 CO 0.00 -0.83 0.58 0.54 0.21 0.00 0.00 175.17 175.68 1jqj s VAL 308 N 1.63 2.30 -0.55 -1.27 0.11 -1.26 -5.01 120.40 116.34 1jqj s VAL 308 Ca 0.33 -1.18 -0.12 0.00 -2.93 0.00 0.00 61.98 58.08 1jqj s VAL 308 Cb -0.06 -2.47 0.14 0.00 -1.53 0.00 0.00 36.38 32.46 1jqj s VAL 308 CO -0.07 0.00 0.47 -0.89 -3.33 0.00 0.00 175.10 171.28 1jqj s THR 309 N -2.59 4.80 0.41 5.04 2.01 -1.14 -4.31 115.64 119.85 1jqj s THR 309 Ca 0.52 -1.81 0.07 0.00 0.31 0.00 0.00 61.69 60.79 1jqj s THR 309 Cb -0.05 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1jqj s THR 309 CO 0.32 -0.85 0.22 -0.47 -0.69 0.00 0.00 174.62 173.14 1jqj s TYR 310 N 1.25 2.64 -0.19 4.92 5.04 -1.26 -1.85 117.35 127.89 1jqj s TYR 310 Ca 0.07 -0.55 -0.27 0.00 -2.44 0.00 0.00 57.07 53.88 1jqj s TYR 310 Cb -0.26 -1.97 0.07 0.00 0.35 0.00 0.00 41.96 40.15 1jqj s TYR 310 CO -0.00 0.13 0.71 -1.12 -1.34 0.00 0.00 175.55 173.93 1jqj s SER 311 N -3.95 -0.71 0.00 4.32 0.01 -0.90 -4.39 113.70 108.08 1jqj s SER 311 Ca 0.42 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.87 1jqj s SER 311 Cb 0.02 1.13 0.00 0.00 0.21 0.00 0.00 66.02 67.38 1jqj s SER 311 CO 0.24 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1jqj n GLY 312 N 2.05 1.07 3.21 3.44 0.00 -1.26 -3.16 105.19 110.54 1jqj n GLY 312 Ca -0.16 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.50 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 1.05 -3.96 -2.66 4.61 0.00 -1.26 -4.62 120.51 113.67 1jqj n ALA 313 Ca 0.00 -1.65 -0.32 0.00 0.00 0.00 0.00 53.44 51.46 1jqj n ALA 313 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 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 -4.59 3.64 -0.08 0.00 2.02 -1.26 -4.77 118.70 113.66 1jqj s GLU 314 Ca 0.61 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.26 1jqj s GLU 314 Cb -0.13 -2.90 0.07 0.00 0.10 0.00 0.00 34.13 31.27 1jqj s GLU 314 CO 0.53 0.50 0.69 0.00 0.02 0.00 0.00 175.26 177.00 1jqj s MET 315 N -2.42 1.02 -0.21 1.61 0.23 -0.76 -5.01 119.30 113.76 1jqj s MET 315 Ca 0.38 0.36 -0.02 0.00 -1.03 0.00 0.00 55.69 55.39 1jqj s MET 315 Cb -0.13 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.66 1jqj s MET 315 CO 0.22 -0.30 -0.10 -1.83 -2.03 0.00 0.00 175.02 170.99 1jqj s GLU 316 N -0.96 3.20 -0.03 3.16 -1.05 -1.26 -1.70 118.70 120.06 1jqj s GLU 316 Ca -0.09 -0.72 0.07 0.00 -0.15 0.00 0.00 54.97 54.08 1jqj s GLU 316 Cb -0.01 -2.84 -0.02 0.00 -0.44 0.00 0.00 34.13 30.82 1jqj s GLU 316 CO 0.09 -0.21 -0.24 -1.50 0.95 0.00 0.00 175.26 174.34 1jqj s ILE 317 N 1.40 1.93 0.20 1.83 2.07 0.67 -4.85 121.20 124.45 1jqj s ILE 317 Ca 0.05 -1.04 -0.22 0.00 -1.41 0.00 0.00 60.65 58.03 1jqj s ILE 317 Cb -0.14 -1.61 -0.08 0.00 0.13 0.00 0.00 42.46 40.76 1jqj s ILE 317 CO -0.07 0.55 0.75 -0.83 -1.91 0.00 0.00 174.94 173.43 1jqj s GLY 318 N -0.49 2.74 -0.01 1.50 0.00 -1.25 -1.00 107.32 108.81 1jqj s GLY 318 Ca 0.07 0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1jqj s GLY 318 CO -0.00 0.68 0.02 -1.36 0.00 0.00 0.00 173.10 172.43 1jqj s PHE 319 N -1.37 0.05 -0.25 1.90 2.99 -0.23 0.16 117.98 121.23 1jqj s PHE 319 Ca 0.40 0.07 -0.29 0.00 0.00 0.00 0.00 56.93 57.11 1jqj s PHE 319 Cb -0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 43.02 42.63 1jqj s PHE 319 CO 0.23 -0.06 1.60 1.21 -0.00 0.00 0.00 175.22 178.20 1jqj s ASN 320 N 0.68 6.34 0.21 1.36 3.84 -1.26 -0.64 114.94 125.48 1jqj s ASN 320 Ca -0.06 1.49 -0.20 0.00 0.21 0.00 0.00 52.86 54.30 1jqj s ASN 320 Cb -0.08 -2.53 0.18 0.00 -0.55 0.00 0.00 41.25 38.26 1jqj s ASN 320 CO -0.02 -1.31 1.53 0.52 -2.79 0.00 0.00 177.10 175.03 1jqj n VAL 321 N 6.57 -0.55 0.13 -5.21 0.31 -1.26 -2.51 118.33 115.80 1jqj n VAL 321 Ca 0.19 2.33 -0.13 0.00 -0.01 0.00 0.00 64.34 66.72 1jqj n VAL 321 Cb 0.46 -3.04 -0.08 0.00 -0.91 0.00 0.00 33.84 30.27 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 -1.19 -0.94 4.52 0.02 -1.99 -1.47 113.55 112.51 1jqj h SER 322 Ca 0.31 0.12 0.28 0.00 -0.84 0.00 0.00 61.79 61.65 1jqj h SER 322 Cb 0.55 0.43 -0.16 0.00 0.14 0.00 0.00 62.40 63.36 1jqj h SER 322 CO -0.97 -0.46 0.28 1.88 -1.14 0.00 0.00 176.83 176.42 1jqj h TYR 323 N -0.65 0.42 -0.20 3.45 0.05 -1.90 0.39 116.97 118.52 1jqj h TYR 323 Ca -0.02 0.05 -0.17 0.00 0.05 0.00 0.00 58.73 58.64 1jqj h TYR 323 Cb 0.62 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.33 1jqj h TYR 323 CO -0.36 -0.29 -0.58 0.28 -1.05 0.00 0.00 178.16 176.17 1jqj h VAL 324 N 0.15 1.31 -0.35 -2.88 2.07 -1.33 -3.15 116.25 112.08 1jqj h VAL 324 Ca 0.63 -1.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.23 1jqj h VAL 324 Cb 1.37 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1jqj h VAL 324 CO -0.72 0.57 -0.18 -0.07 0.02 0.00 0.00 177.57 177.19 1jqj h LEU 325 N 0.49 0.76 -0.82 2.57 3.38 0.72 -2.51 115.31 119.91 1jqj h LEU 325 Ca 0.00 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.63 1jqj h LEU 325 Cb 1.15 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1jqj h LEU 325 CO 0.11 1.01 0.48 0.44 0.09 0.00 0.00 178.44 180.57 1jqj h ASP 326 N 0.52 0.73 -0.23 -0.43 3.32 -0.95 -0.20 116.42 119.17 1jqj h ASP 326 Ca 0.08 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1jqj h ASP 326 Cb 0.73 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1jqj h ASP 326 CO 0.05 0.45 0.13 0.58 -1.72 0.00 0.00 179.24 178.74 1jqj h VAL 327 N 0.86 1.10 -0.11 -1.35 2.07 -1.49 0.17 116.25 117.50 1jqj h VAL 327 Ca 0.37 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1jqj h VAL 327 Cb 0.25 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1jqj h VAL 327 CO -0.20 0.10 -0.13 -0.07 0.02 0.00 0.00 177.57 177.29 1jqj h LEU 328 N 0.28 0.16 -0.01 2.57 3.38 -0.92 -0.15 115.31 120.61 1jqj h LEU 328 Ca 0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1jqj h LEU 328 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1jqj h LEU 328 CO -0.01 0.31 -0.07 0.78 0.09 0.00 0.00 178.44 179.54 1jqj h ASN 329 N 0.16 0.07 -0.95 -0.43 -0.26 -0.59 -3.12 115.58 110.46 1jqj h ASN 329 Ca 0.03 -0.73 0.16 0.00 -0.56 0.00 0.00 56.30 55.20 1jqj h ASN 329 Cb 0.34 -0.02 -0.08 0.00 -1.06 0.00 0.00 38.32 37.49 1jqj h ASN 329 CO 0.02 0.79 0.60 0.00 -1.06 0.00 0.00 177.43 177.78 1jqj h ALA 330 N 0.28 1.76 -1.23 -0.83 0.00 -0.43 -3.09 119.26 115.72 1jqj h ALA 330 Ca -0.01 0.03 -0.68 0.00 0.00 0.00 0.00 54.91 54.26 1jqj h ALA 330 Cb 0.79 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.34 1jqj h ALA 330 CO 0.01 -0.04 1.70 -0.51 0.00 0.00 0.00 179.25 180.41 1jqj s LEU 331 N -9.98 4.21 0.00 0.00 1.43 -0.09 -4.83 118.68 109.41 1jqj s LEU 331 Ca -0.11 -2.34 0.00 0.00 -1.03 0.00 0.00 54.13 50.65 1jqj s LEU 331 Cb 0.23 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1jqj s LEU 331 CO 0.80 -1.12 0.38 0.29 0.23 0.00 0.00 176.35 176.93 1jqj n LYS 332 N 7.61 0.43 -0.35 1.70 5.02 -1.17 -4.78 118.16 126.61 1jqj n LYS 332 Ca 0.40 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1jqj n LYS 332 Cb 0.47 -1.27 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 -0.56 0.40 -4.12 0.00 -0.58 -1.26 -4.71 120.64 109.80 1jqj n GLU 334 Ca 0.00 0.16 -0.34 0.00 -0.42 0.00 0.00 57.16 56.56 1jqj n GLU 334 Cb 0.00 -1.20 -0.10 0.00 -0.57 0.00 0.00 31.44 29.57 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 -6.00 5.39 -0.16 1.62 -0.87 -1.26 0.22 114.94 113.89 1jqj s ASN 335 Ca -0.22 0.03 -0.04 0.00 -1.57 0.00 0.00 52.86 51.05 1jqj s ASN 335 Cb 0.04 -1.91 -0.03 0.00 -0.02 0.00 0.00 41.25 39.33 1jqj s ASN 335 CO 0.32 0.18 -0.02 -0.69 -2.57 0.00 0.00 177.10 174.33 1jqj s VAL 336 N 0.33 4.09 0.11 1.60 1.01 -1.04 -1.89 120.40 124.61 1jqj s VAL 336 Ca 0.01 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1jqj s VAL 336 Cb -0.13 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1jqj s VAL 336 CO 0.01 0.49 0.23 -0.60 0.00 0.00 0.00 175.10 175.24 1jqj s ARG 337 N 0.27 3.37 0.02 2.72 3.52 0.34 -0.91 118.95 128.29 1jqj s ARG 337 Ca -0.02 -0.56 -0.05 0.00 -0.13 0.00 0.00 55.73 54.97 1jqj s ARG 337 Cb -0.14 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1jqj s ARG 337 CO 0.02 0.56 0.10 1.41 -0.81 0.00 0.00 175.30 176.57 1jqj s MET 338 N -2.90 0.48 -0.17 5.12 1.75 0.16 -1.97 119.30 121.77 1jqj s MET 338 Ca 0.34 -0.53 -0.02 0.00 -1.25 0.00 0.00 55.69 54.23 1jqj s MET 338 Cb -0.12 0.19 0.05 0.00 2.84 0.00 0.00 34.83 37.80 1jqj s MET 338 CO 0.28 -0.11 0.02 -1.64 -0.65 0.00 0.00 175.02 172.91 1jqj s MET 339 N -1.71 0.77 0.56 4.11 -1.94 -1.11 -1.45 119.30 118.54 1jqj s MET 339 Ca -0.13 -0.36 0.05 0.00 -1.71 0.00 0.00 55.69 53.55 1jqj s MET 339 Cb -0.06 -1.91 0.05 0.00 2.01 0.00 0.00 34.83 34.91 1jqj s MET 339 CO -0.00 -0.55 0.41 1.28 -0.01 0.00 0.00 175.02 176.14 1jqj n LEU 340 N 5.03 0.00 0.00 -0.03 4.32 0.40 -2.20 117.00 124.53 1jqj n LEU 340 Ca -0.09 -2.95 0.00 0.00 -0.02 0.00 0.00 56.01 52.95 1jqj n LEU 340 Cb 0.48 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1jqj n LEU 340 CO 0.13 -0.59 0.00 0.41 -1.22 0.00 0.00 177.39 176.12 1jqj n THR 341 N -1.80 0.00 -4.32 -5.08 -1.04 -1.26 -2.96 114.28 97.82 1jqj n THR 341 Ca -0.03 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.77 1jqj n THR 341 Cb 0.64 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.04 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 -2.99 2.58 0.00 8.00 2.15 -1.26 -4.80 116.67 120.35 1jqj s ASP 342 Ca 0.00 -0.85 0.22 0.00 0.43 0.00 0.00 52.55 52.34 1jqj s ASP 342 Cb 0.00 -0.14 0.76 0.00 -0.30 0.00 0.00 42.92 43.23 1jqj s ASP 342 CO 0.00 -0.05 1.55 -1.54 -0.17 0.00 0.00 175.17 174.96 1jqj n SER 343 N 0.34 1.74 -1.32 -0.34 3.41 -1.26 -3.85 113.62 112.34 1jqj n SER 343 Ca -0.14 -1.71 0.04 0.00 -0.26 0.00 0.00 58.87 56.81 1jqj n SER 343 Cb 0.57 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.37 0.25 -3.81 -3.33 0.24 -1.26 -4.62 118.33 106.17 1jqj n VAL 344 Ca 0.16 -1.18 -0.12 0.00 -2.04 0.00 0.00 64.34 61.16 1jqj n VAL 344 Cb 0.35 0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 33.42 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 -2.07 -0.19 0.11 -1.34 1.04 -1.25 -4.96 113.70 105.03 1jqj s SER 345 Ca 0.32 0.35 -0.15 0.00 0.48 0.00 0.00 55.95 56.96 1jqj s SER 345 Cb 0.36 0.39 -0.09 0.00 0.10 0.00 0.00 66.02 66.78 1jqj s SER 345 CO -0.15 -0.10 0.27 -1.54 0.98 0.00 0.00 173.24 172.71 1jqj n SER 346 N 2.84 -0.67 -4.51 7.02 3.41 -1.26 -4.63 113.62 115.82 1jqj n SER 346 Ca -0.13 0.59 -0.30 0.00 -0.26 0.00 0.00 58.87 58.76 1jqj n SER 346 Cb 0.58 -0.50 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.53 2.99 -0.44 -3.33 1.01 -0.49 -4.71 120.40 114.91 1jqj s VAL 347 Ca 0.33 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1jqj s VAL 347 Cb -0.48 -2.35 0.12 0.00 0.00 0.00 0.00 36.38 33.66 1jqj s VAL 347 CO 0.29 0.17 0.16 -1.58 0.00 0.00 0.00 175.10 174.15 1jqj s GLN 348 N -1.97 1.76 0.56 2.72 0.74 -0.93 -0.58 119.66 121.96 1jqj s GLN 348 Ca 0.18 -2.26 -0.15 0.00 0.05 0.00 0.00 55.36 53.18 1jqj s GLN 348 Cb -0.11 -3.28 -0.06 0.00 1.10 0.00 0.00 33.01 30.66 1jqj s GLN 348 CO 0.10 -1.03 1.01 0.42 -0.55 0.00 0.00 175.29 175.24 1jqj s ILE 349 N 0.29 4.51 0.00 -2.34 1.09 -0.82 -2.73 121.20 121.20 1jqj s ILE 349 Ca 0.14 1.06 0.00 0.00 -1.10 0.00 0.00 60.65 60.75 1jqj s ILE 349 Cb -0.23 -3.72 0.00 0.00 -1.06 0.00 0.00 42.46 37.45 1jqj s ILE 349 CO -0.04 -0.82 0.00 -1.84 -0.10 0.00 0.00 174.94 172.14 1jqj n GLU 350 N -2.04 0.00 -1.75 2.79 0.28 -0.83 -1.32 120.64 117.76 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 0.06 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 4.70 -0.13 -1.84 2.15 -1.26 -0.50 116.67 119.79 1jqj s ASP 351 Ca 0.00 2.46 -0.12 0.00 0.43 0.00 0.00 52.55 55.32 1jqj s ASP 351 Cb 0.00 -2.60 -0.10 0.00 -0.30 0.00 0.00 42.92 39.92 1jqj s ASP 351 CO 0.00 -1.93 0.20 0.00 -0.17 0.00 0.00 175.17 173.28 1jqj h ALA 352 N 0.43 0.03 -1.15 3.66 0.00 -1.70 -3.38 119.26 117.15 1jqj h ALA 352 Ca -0.50 -0.37 0.40 0.00 0.00 0.00 0.00 54.91 54.45 1jqj h ALA 352 Cb 1.31 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 19.13 1jqj h ALA 352 CO 0.53 0.17 0.69 0.00 0.00 0.00 0.00 179.25 180.64 1jqj h ALA 353 N -0.67 2.38 -4.82 0.00 0.00 -1.93 -3.43 119.26 110.79 1jqj h ALA 353 Ca -0.04 0.18 -0.47 0.00 0.00 0.00 0.00 54.91 54.58 1jqj h ALA 353 Cb 0.52 0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.41 1jqj h ALA 353 CO -0.02 -1.06 -0.45 -1.13 0.00 0.00 0.00 179.25 176.59 1jqj n SER 354 N -4.94 -0.53 0.00 0.00 3.41 -1.26 -5.07 113.62 105.23 1jqj n SER 354 Ca 0.36 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 1jqj n SER 354 Cb 1.28 1.57 0.00 0.00 -0.26 0.00 0.00 64.21 66.80 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 -0.63 0.88 -0.27 4.33 6.02 -1.26 -4.47 117.38 121.98 1jqj n GLN 355 Ca 0.06 -0.76 0.08 0.00 -0.01 0.00 0.00 57.00 56.38 1jqj n GLN 355 Cb 0.58 -0.70 0.21 0.00 1.02 0.00 0.00 30.24 31.35 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 -0.06 -2.29 1.08 0.02 -1.96 -3.42 113.55 106.92 1jqj h SER 356 Ca 0.00 0.17 -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 -0.10 -0.75 0.00 -1.14 0.00 0.00 176.83 174.83 1jqj s ALA 357 N -6.02 2.69 -0.20 3.77 0.00 -1.26 -1.50 121.76 119.24 1jqj s ALA 357 Ca -0.13 -1.87 -0.18 0.00 0.00 0.00 0.00 51.96 49.78 1jqj s ALA 357 Cb 0.23 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.17 1jqj s ALA 357 CO 0.76 0.25 0.52 0.00 0.00 0.00 0.00 175.76 177.29 1jqj s ALA 358 N -2.56 -1.29 0.26 0.00 0.00 -0.42 -4.58 121.76 113.18 1jqj s ALA 358 Ca 0.29 1.47 0.11 0.00 0.00 0.00 0.00 51.96 53.83 1jqj s ALA 358 Cb -0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 1jqj s ALA 358 CO 0.14 -0.25 -0.18 0.71 0.00 0.00 0.00 175.76 176.19 1jqj s TYR 359 N 0.28 2.12 -0.06 0.00 1.51 -0.44 -1.84 117.35 118.94 1jqj s TYR 359 Ca -0.00 -0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1jqj s TYR 359 Cb -0.04 -0.95 0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1jqj s TYR 359 CO 0.01 0.60 0.11 0.08 -1.11 0.00 0.00 175.55 175.24 1jqj s VAL 360 N -2.66 -0.12 -0.08 0.71 1.01 -0.92 -1.95 120.40 116.40 1jqj s VAL 360 Ca 0.28 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1jqj s VAL 360 Cb -0.03 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.15 1jqj s VAL 360 CO 0.13 0.11 -0.16 -0.69 0.00 0.00 0.00 175.10 174.49 1jqj s VAL 361 N 1.59 1.44 0.08 2.92 1.01 0.25 -1.35 120.40 126.35 1jqj s VAL 361 Ca -0.04 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1jqj s VAL 361 Cb -0.12 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1jqj s VAL 361 CO -0.05 0.42 1.06 -0.04 0.00 0.00 0.00 175.10 176.49 1jqj s MET 362 N 0.57 4.57 1.28 2.72 -1.94 -0.38 -1.40 119.30 124.71 1jqj s MET 362 Ca -0.16 1.58 -0.20 0.00 -1.71 0.00 0.00 55.69 55.20 1jqj s MET 362 Cb -0.17 -3.37 0.31 0.00 2.01 0.00 0.00 34.83 33.62 1jqj s MET 362 CO 0.05 -0.01 1.04 -1.25 -0.01 0.00 0.00 175.02 174.84 1jqj s PRO 363 N 0.47 -1.80 0.23 2.03 0.04 -1.26 -4.77 135.00 129.94 1jqj s PRO 363 Ca 0.52 0.06 0.11 0.00 0.04 0.00 0.00 61.00 61.73 1jqj s PRO 363 Cb -0.25 -1.52 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 1jqj s PRO 363 CO 0.30 -4.12 -0.16 1.41 0.04 0.00 0.00 177.00 174.48 1jqj s MET 364 N -5.23 1.82 -0.08 4.56 -2.45 0.12 -4.93 119.30 113.11 1jqj s MET 364 Ca 0.70 -1.52 -0.29 0.00 -1.25 0.00 0.00 55.69 53.32 1jqj s MET 364 Cb -0.12 -1.95 -0.06 0.00 1.25 0.00 0.00 34.83 33.95 1jqj s MET 364 CO 0.57 0.38 1.93 0.50 1.05 0.00 0.00 175.02 179.45 1jqj s ARG 365 N -3.11 3.84 0.00 4.11 3.52 -1.26 -3.88 118.95 122.16 1jqj s ARG 365 Ca 0.26 2.25 0.25 0.00 -0.13 0.00 0.00 55.73 58.36 1jqj s ARG 365 Cb -0.07 -4.17 1.48 0.00 -1.56 0.00 0.00 34.95 30.63 1jqj s ARG 365 CO 0.14 -1.28 1.84 1.28 -0.81 0.00 0.00 175.30 176.47