#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqj s TYR 4 N 0.00 3.51 -0.04 1.57 1.51 -1.26 -2.04 117.35 120.60 1sqj s TYR 4 Ca 0.00 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.39 1sqj s TYR 4 Cb 0.00 -1.82 0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1sqj s TYR 4 CO 0.00 0.54 -0.03 -2.00 -1.11 0.00 0.00 175.55 172.95 1sqj s GLU 5 N -2.59 0.64 -0.18 -0.62 2.12 -0.03 -4.91 118.70 113.13 1sqj s GLU 5 Ca 0.37 -0.06 -0.05 0.00 0.36 0.00 0.00 54.97 55.59 1sqj s GLU 5 Cb -0.13 -0.69 -0.03 0.00 0.26 0.00 0.00 34.13 33.54 1sqj s GLU 5 CO 0.27 -0.08 -0.00 -0.06 -0.54 0.00 0.00 175.26 174.85 1sqj s PHE 6 N 0.85 3.07 0.23 5.30 0.08 -1.26 -1.76 117.98 124.49 1sqj s PHE 6 Ca -0.10 -0.30 0.06 0.00 0.12 0.00 0.00 56.93 56.71 1sqj s PHE 6 Cb -0.13 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.22 1sqj s PHE 6 CO -0.00 -0.10 -0.07 0.15 -0.10 0.00 0.00 175.22 175.10 1sqj s LYS 7 N 0.67 1.38 0.15 0.44 1.02 -0.86 -5.00 119.74 117.54 1sqj s LYS 7 Ca -0.00 -1.67 -0.14 0.00 0.02 0.00 0.00 55.97 54.18 1sqj s LYS 7 Cb -0.14 -0.95 -0.07 0.00 -0.52 0.00 0.00 37.83 36.15 1sqj s LYS 7 CO 0.02 0.05 0.54 -0.80 -0.92 0.00 0.00 175.35 174.23 1sqj s ASN 8 N -3.35 6.80 0.19 2.83 -0.87 -1.26 -1.03 114.94 118.25 1sqj s ASN 8 Ca 0.26 1.04 -0.32 0.00 -1.57 0.00 0.00 52.86 52.27 1sqj s ASN 8 Cb 0.03 -2.27 -0.11 0.00 -0.02 0.00 0.00 41.25 38.87 1sqj s ASN 8 CO 0.08 0.10 1.64 -0.69 -2.57 0.00 0.00 177.10 175.67 1sqj s VAL 9 N -1.48 2.30 -0.07 1.60 1.01 0.27 -4.84 120.40 119.19 1sqj s VAL 9 Ca 0.38 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 1sqj s VAL 9 Cb -0.15 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1sqj s VAL 9 CO 0.19 0.02 1.09 0.00 0.00 0.00 0.00 175.10 176.40 1sqj s ALA 10 N 1.09 3.42 0.16 5.51 0.00 0.44 -4.70 121.76 127.67 1sqj s ALA 10 Ca 0.72 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1sqj s ALA 10 Cb -0.47 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1sqj s ALA 10 CO 0.32 -0.63 0.00 -0.89 0.00 0.00 0.00 175.76 174.57 1sqj n ILE 11 N 4.49 0.41 0.00 0.00 5.41 -1.26 -3.94 119.36 124.46 1sqj n ILE 11 Ca 0.09 0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.98 1sqj n ILE 11 Cb 0.48 -0.98 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 1sqj n ILE 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sqj n GLY 12 N 2.33 0.75 3.73 7.39 0.00 -1.26 -4.70 105.19 113.43 1sqj n GLY 12 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1sqj n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 13 N 0.00 1.54 1.59 -0.02 0.00 0.90 -4.83 105.19 104.37 1sqj n GLY 13 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1sqj n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 14 N 0.00 1.58 1.65 -0.02 0.00 -0.18 0.10 105.19 108.32 1sqj n GLY 14 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1sqj n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 15 N -2.00 3.49 3.67 -0.02 0.00 -1.22 -4.73 105.19 104.37 1sqj n GLY 15 Ca 0.00 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1sqj n GLY 15 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sqj s TYR 16 N -2.64 3.29 -0.29 1.61 5.04 -1.17 -2.92 117.35 120.27 1sqj s TYR 16 Ca 0.19 1.41 -0.16 0.00 -2.44 0.00 0.00 57.07 56.07 1sqj s TYR 16 Cb 0.01 -3.30 -0.03 0.00 0.35 0.00 0.00 41.96 38.99 1sqj s TYR 16 CO 0.13 -0.67 0.41 0.42 -1.34 0.00 0.00 175.55 174.51 1sqj s ILE 17 N 2.88 5.14 -0.94 3.14 -1.09 -1.07 -3.61 121.20 125.64 1sqj s ILE 17 Ca 0.48 0.51 0.21 0.00 -2.23 0.00 0.00 60.65 59.62 1sqj s ILE 17 Cb -0.18 -3.77 -0.23 0.00 -1.58 0.00 0.00 42.46 36.70 1sqj s ILE 17 CO 0.11 0.06 0.88 0.35 -1.23 0.00 0.00 174.94 175.12 1sqj n THR 18 N 5.18 0.00 -3.57 2.92 -2.24 0.07 -4.51 114.28 112.15 1sqj n THR 18 Ca -0.07 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1sqj n THR 18 Cb 0.50 0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 69.61 1sqj n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sqj s GLY 19 N -3.09 -0.34 -0.11 3.38 0.00 -1.02 -4.64 107.32 101.49 1sqj s GLY 19 Ca 0.07 1.87 -0.03 0.00 0.00 0.00 0.00 44.72 46.63 1sqj s GLY 19 CO 0.87 1.04 0.05 -0.42 0.00 0.00 0.00 173.10 174.64 1sqj s ILE 20 N -1.08 0.09 -0.04 0.90 1.01 -1.26 -1.62 121.20 119.20 1sqj s ILE 20 Ca -0.04 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.71 1sqj s ILE 20 Cb -0.00 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 1sqj s ILE 20 CO 0.03 -0.01 -0.26 -0.69 0.00 0.00 0.00 174.94 174.02 1sqj s VAL 21 N 2.07 2.06 -0.05 2.92 1.01 0.38 -4.81 120.40 123.99 1sqj s VAL 21 Ca 0.03 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 60.96 1sqj s VAL 21 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1sqj s VAL 21 CO -0.06 0.58 -0.15 0.00 0.00 0.00 0.00 175.10 175.46 1sqj s ALA 22 N -0.42 2.62 0.16 5.51 0.00 -1.26 -0.73 121.76 127.64 1sqj s ALA 22 Ca 0.04 -0.99 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 1sqj s ALA 22 Cb -0.12 -0.93 -0.09 0.00 0.00 0.00 0.00 23.12 21.98 1sqj s ALA 22 CO 0.01 0.55 1.48 -1.58 0.00 0.00 0.00 175.76 176.22 1sqj s HIS 23 N -0.72 3.14 -0.09 0.00 2.46 -0.18 -4.93 115.29 114.97 1sqj s HIS 23 Ca 0.11 0.81 0.29 0.00 0.47 0.00 0.00 55.06 56.75 1sqj s HIS 23 Cb -0.11 -3.81 1.36 0.00 -0.13 0.00 0.00 32.58 29.89 1sqj s HIS 23 CO 0.00 -2.89 1.87 -1.00 -2.47 0.00 0.00 174.74 170.26 1sqj h PRO 24 N 6.56 0.00 0.00 2.88 0.13 -1.92 -3.31 132.00 136.35 1sqj h PRO 24 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1sqj h PRO 24 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1sqj h PRO 24 CO 0.88 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.28 1sqj n LYS 25 N -2.59 1.19 -3.93 0.86 4.76 -1.26 -4.97 118.16 112.22 1sqj n LYS 25 Ca 0.00 -0.22 -0.29 0.00 -2.87 0.00 0.00 58.31 54.93 1sqj n LYS 25 Cb 0.18 -0.67 -0.16 0.00 -1.84 0.00 0.00 35.03 32.54 1sqj n LYS 25 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1sqj s THR 26 N -0.23 1.35 0.28 -0.18 2.01 -1.25 -5.11 115.64 112.50 1sqj s THR 26 Ca 0.00 -0.82 -0.29 0.00 0.31 0.00 0.00 61.69 60.88 1sqj s THR 26 Cb 0.00 -1.49 -0.13 0.00 0.01 0.00 0.00 72.50 70.88 1sqj s THR 26 CO 0.00 0.12 1.24 1.17 -0.69 0.00 0.00 174.62 176.47 1sqj n LYS 27 N 4.79 1.81 -1.27 4.92 4.81 -1.26 -2.83 118.16 129.13 1sqj n LYS 27 Ca -0.13 0.64 -0.09 0.00 -0.87 0.00 0.00 58.31 57.86 1sqj n LYS 27 Cb 0.47 -2.18 -0.04 0.00 0.02 0.00 0.00 35.03 33.30 1sqj n LYS 27 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1sqj n ASP 28 N 1.44 -5.46 -4.41 3.14 8.00 -1.26 -4.93 116.55 113.07 1sqj n ASP 28 Ca 0.09 0.23 -0.44 0.00 0.71 0.00 0.00 54.79 55.37 1sqj n ASP 28 Cb 0.32 -3.77 -0.03 0.00 -0.02 0.00 0.00 41.12 37.62 1sqj n ASP 28 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sqj s LEU 29 N -2.09 5.26 0.11 0.64 2.96 -1.13 -4.68 118.68 119.75 1sqj s LEU 29 Ca 0.00 -1.69 0.09 0.00 -0.22 0.00 0.00 54.13 52.31 1sqj s LEU 29 Cb 0.00 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1sqj s LEU 29 CO 0.00 -1.10 -0.24 -0.76 -1.32 0.00 0.00 176.35 172.94 1sqj s LEU 30 N 2.65 2.31 0.12 -0.68 1.43 -1.26 -1.01 118.68 122.23 1sqj s LEU 30 Ca 0.21 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1sqj s LEU 30 Cb -0.15 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1sqj s LEU 30 CO 0.00 0.11 -0.11 -0.31 0.23 0.00 0.00 176.35 176.27 1sqj s TYR 31 N -1.11 1.20 0.03 0.29 2.02 0.10 -0.55 117.35 119.33 1sqj s TYR 31 Ca 0.10 -0.67 0.04 0.00 -0.37 0.00 0.00 57.07 56.17 1sqj s TYR 31 Cb -0.10 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.81 1sqj s TYR 31 CO 0.05 0.06 -0.13 0.00 -1.57 0.00 0.00 175.55 173.96 1sqj s ALA 32 N -2.66 1.04 0.17 3.71 0.00 -0.31 -0.47 121.76 123.24 1sqj s ALA 32 Ca 0.10 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.43 1sqj s ALA 32 Cb -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1sqj s ALA 32 CO 0.01 0.20 -0.07 -0.98 0.00 0.00 0.00 175.76 174.92 1sqj s ARG 33 N -0.91 2.17 0.12 0.00 1.70 -0.64 -1.00 118.95 120.40 1sqj s ARG 33 Ca 0.01 -1.18 -0.01 0.00 -0.47 0.00 0.00 55.73 54.09 1sqj s ARG 33 Cb -0.07 -2.24 -0.04 0.00 -0.57 0.00 0.00 34.95 32.03 1sqj s ARG 33 CO 0.01 0.45 0.03 0.95 -1.08 0.00 0.00 175.30 175.66 1sqj s THR 34 N -1.64 0.20 0.07 4.99 -4.23 -0.98 -0.75 115.64 113.32 1sqj s THR 34 Ca 0.25 -1.90 -0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1sqj s THR 34 Cb -0.09 -1.96 -0.28 0.00 1.34 0.00 0.00 72.50 71.51 1sqj s THR 34 CO 0.16 -0.57 1.14 -2.24 -0.54 0.00 0.00 174.62 172.57 1sqj h ASP 35 N 2.90 0.48 0.00 3.99 3.04 -1.76 -2.39 116.42 122.68 1sqj h ASP 35 Ca -0.35 -0.50 0.00 0.00 -3.24 0.00 0.00 57.03 52.94 1sqj h ASP 35 Cb 1.19 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 1sqj h ASP 35 CO 0.61 1.39 0.00 2.30 -2.04 0.00 0.00 179.24 181.49 1sqj n ILE 36 N -3.57 0.54 -1.18 4.15 -5.35 -1.26 -3.90 119.36 108.79 1sqj n ILE 36 Ca -0.09 -0.56 0.07 0.00 -0.27 0.00 0.00 62.75 61.89 1sqj n ILE 36 Cb 1.02 0.76 0.09 0.00 -1.74 0.00 0.00 39.64 39.77 1sqj n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sqj n GLY 37 N -0.27 3.50 7.00 3.28 0.00 -1.25 -4.25 105.19 113.21 1sqj n GLY 37 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1sqj n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 38 N -0.99 -0.22 3.70 -0.02 0.00 -1.26 -4.86 105.19 101.54 1sqj n GLY 38 Ca 0.10 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 1sqj n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj s ALA 39 N -1.51 3.30 0.02 4.61 0.00 -1.26 -2.31 121.76 124.60 1sqj s ALA 39 Ca 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1sqj s ALA 39 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 1sqj s ALA 39 CO 0.00 0.34 -0.06 0.71 0.00 0.00 0.00 175.76 176.75 1sqj s TYR 40 N -2.06 0.52 -0.16 0.00 2.02 -0.17 -2.11 117.35 115.39 1sqj s TYR 40 Ca 0.30 -0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 1sqj s TYR 40 Cb -0.08 -0.32 -0.04 0.00 -0.40 0.00 0.00 41.96 41.12 1sqj s TYR 40 CO 0.21 -0.05 0.02 0.50 -1.57 0.00 0.00 175.55 174.66 1sqj s ARG 41 N -0.82 3.76 0.23 -0.62 3.52 0.11 -1.16 118.95 123.99 1sqj s ARG 41 Ca -0.04 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 1sqj s ARG 41 Cb -0.06 -3.07 -0.09 0.00 -1.56 0.00 0.00 34.95 30.18 1sqj s ARG 41 CO 0.00 0.32 1.10 -0.46 -0.81 0.00 0.00 175.30 175.46 1sqj s TRP 42 N 0.20 3.58 -0.29 5.12 -0.11 0.29 -0.40 118.94 127.33 1sqj s TRP 42 Ca 0.02 1.64 0.01 0.00 1.22 0.00 0.00 56.10 58.99 1sqj s TRP 42 Cb -0.13 -3.29 0.06 0.00 -1.50 0.00 0.00 33.47 28.62 1sqj s TRP 42 CO 0.01 -0.60 -0.03 0.34 -4.62 0.00 0.00 176.95 172.05 1sqj s ASP 43 N -0.52 4.70 0.40 5.86 2.15 -0.29 -4.59 116.67 124.38 1sqj s ASP 43 Ca 0.47 -1.45 0.15 0.00 0.43 0.00 0.00 52.55 52.15 1sqj s ASP 43 Cb -0.31 -1.64 0.82 0.00 -0.30 0.00 0.00 42.92 41.50 1sqj s ASP 43 CO 0.38 -0.25 1.86 0.00 -0.17 0.00 0.00 175.17 176.99 1sqj h ALA 44 N 7.86 1.36 -0.26 3.66 0.00 -1.85 -1.02 119.26 129.01 1sqj h ALA 44 Ca -0.18 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1sqj h ALA 44 Cb 1.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1sqj h ALA 44 CO 0.51 0.41 -0.35 0.78 0.00 0.00 0.00 179.25 180.60 1sqj h GLY 45 N 1.12 0.63 -1.31 0.00 0.00 -1.95 -3.22 103.07 98.33 1sqj h GLY 45 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1sqj h GLY 45 CO 0.04 0.53 -0.10 -1.30 0.00 0.00 0.00 176.54 175.71 1sqj n THR 46 N -4.06 0.00 -4.00 4.70 -2.24 -1.14 -4.99 114.28 102.55 1sqj n THR 46 Ca -0.01 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 1sqj n THR 46 Cb 0.48 1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 70.03 1sqj n THR 46 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sqj n SER 47 N 0.74 -1.11 -3.92 3.42 7.64 -0.40 -5.00 113.62 114.99 1sqj n SER 47 Ca 0.10 -1.09 -0.10 0.00 1.01 0.00 0.00 58.87 58.79 1sqj n SER 47 Cb 0.44 -2.68 -0.11 0.00 -1.01 0.00 0.00 64.21 60.85 1sqj n SER 47 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sqj s LYS 48 N -6.72 0.31 0.33 1.43 1.02 -1.11 -4.71 119.74 110.30 1sqj s LYS 48 Ca 0.11 -0.41 -0.21 0.00 0.02 0.00 0.00 55.97 55.48 1sqj s LYS 48 Cb -0.05 0.12 -0.10 0.00 -0.52 0.00 0.00 37.83 37.28 1sqj s LYS 48 CO 0.91 -0.06 0.86 -1.58 -0.92 0.00 0.00 175.35 174.57 1sqj s TRP 49 N -1.14 3.51 -0.15 3.18 0.52 0.71 -1.14 118.94 124.44 1sqj s TRP 49 Ca -0.12 1.55 0.01 0.00 0.02 0.00 0.00 56.10 57.55 1sqj s TRP 49 Cb -0.07 -2.77 0.00 0.00 -1.15 0.00 0.00 33.47 29.48 1sqj s TRP 49 CO -0.00 0.12 -0.18 0.42 0.02 0.00 0.00 176.95 177.33 1sqj s ILE 50 N -1.83 2.44 0.41 2.03 1.01 0.46 -4.41 121.20 121.30 1sqj s ILE 50 Ca 0.53 -0.85 -0.25 0.00 0.00 0.00 0.00 60.65 60.08 1sqj s ILE 50 Cb -0.14 -2.00 -0.08 0.00 0.01 0.00 0.00 42.46 40.24 1sqj s ILE 50 CO 0.19 0.53 1.17 -2.16 0.00 0.00 0.00 174.94 174.66 1sqj s PRO 51 N 0.77 4.03 0.00 2.79 0.04 -1.26 -0.71 135.00 140.65 1sqj s PRO 51 Ca -0.07 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1sqj s PRO 51 Cb -0.16 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1sqj s PRO 51 CO 0.00 -0.34 0.45 1.28 0.04 0.00 0.00 177.00 178.43 1sqj n LEU 52 N 0.01 0.89 -0.27 -3.56 4.77 -0.90 -4.72 117.00 113.23 1sqj n LEU 52 Ca 0.05 -0.89 0.08 0.00 -0.03 0.00 0.00 56.01 55.21 1sqj n LEU 52 Cb 0.47 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.68 1sqj n LEU 52 CO 0.50 0.22 0.47 0.59 -1.33 0.00 0.00 177.39 177.85 1sqj n ASN 53 N -0.03 1.85 0.00 -1.43 5.03 -1.26 -4.81 115.26 114.62 1sqj n ASN 53 Ca 0.00 -3.01 0.09 0.00 0.87 0.00 0.00 54.58 52.53 1sqj n ASN 53 Cb 0.06 -0.41 0.51 0.00 -1.02 0.00 0.00 39.78 38.92 1sqj n ASN 53 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1sqj n ASP 54 N -1.11 0.00 0.06 6.41 8.00 -1.26 -1.82 116.55 126.83 1sqj n ASP 54 Ca 0.14 -0.24 0.12 0.00 0.71 0.00 0.00 54.79 55.52 1sqj n ASP 54 Cb 0.67 -0.17 0.47 0.00 -0.02 0.00 0.00 41.12 42.08 1sqj n ASP 54 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1sqj n PHE 55 N -1.17 0.44 -1.82 1.24 -1.74 -1.26 -0.37 117.46 112.78 1sqj n PHE 55 Ca 0.11 0.14 -0.42 0.00 -0.56 0.00 0.00 57.45 56.72 1sqj n PHE 55 Cb 0.11 -0.73 -0.03 0.00 1.52 0.00 0.00 39.48 40.36 1sqj n PHE 55 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1sqj s ILE 56 N -3.09 2.27 0.58 1.97 1.01 -0.75 -4.74 121.20 118.45 1sqj s ILE 56 Ca 0.10 0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 1sqj s ILE 56 Cb 0.14 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 1sqj s ILE 56 CO 0.48 0.02 0.98 -1.61 0.00 0.00 0.00 174.94 174.81 1sqj s GLU 57 N 0.87 3.66 0.28 2.79 2.02 -1.26 -1.05 118.70 126.01 1sqj s GLU 57 Ca 0.71 0.71 0.01 0.00 0.02 0.00 0.00 54.97 56.42 1sqj s GLU 57 Cb -0.47 -2.14 0.65 0.00 0.10 0.00 0.00 34.13 32.28 1sqj s GLU 57 CO 0.34 -0.45 1.70 0.00 0.02 0.00 0.00 175.26 176.87 1sqj h ALA 58 N 0.02 1.32 0.00 5.21 0.00 -1.89 0.23 119.26 124.14 1sqj h ALA 58 Ca -0.45 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1sqj h ALA 58 Cb 1.19 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1sqj h ALA 58 CO 0.62 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1sqj n GLN 59 N -5.05 0.11 -1.30 0.00 10.64 -1.26 -2.85 117.38 117.68 1sqj n GLN 59 Ca 0.20 0.27 -0.15 0.00 -1.83 0.00 0.00 57.00 55.49 1sqj n GLN 59 Cb 0.59 -1.69 0.12 0.00 -0.86 0.00 0.00 30.24 28.40 1sqj n GLN 59 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1sqj n ASP 60 N -1.90 4.01 -0.05 2.61 10.43 0.78 -4.78 116.55 127.66 1sqj n ASP 60 Ca 0.04 -3.79 0.10 0.00 2.57 0.00 0.00 54.79 53.71 1sqj n ASP 60 Cb 0.26 -0.57 0.49 0.00 1.84 0.00 0.00 41.12 43.13 1sqj n ASP 60 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 1sqj h MET 61 N 1.56 0.42 0.00 -1.24 4.05 -1.37 0.71 114.93 119.06 1sqj h MET 61 Ca 0.31 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1sqj h MET 61 Cb 1.44 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 1sqj h MET 61 CO 0.66 0.28 0.00 0.09 0.23 0.00 0.00 176.91 178.17 1sqj n ASN 62 N -4.47 0.00 0.14 1.39 3.02 -1.26 -1.94 115.26 112.13 1sqj n ASN 62 Ca 0.08 -0.93 0.12 0.00 -0.03 0.00 0.00 54.58 53.82 1sqj n ASN 62 Cb 0.29 -0.01 0.11 0.00 -0.61 0.00 0.00 39.78 39.56 1sqj n ASN 62 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1sqj h ILE 63 N 0.00 0.00 -0.76 2.41 1.08 -1.18 0.82 117.51 119.88 1sqj h ILE 63 Ca 0.00 -0.90 -0.52 0.00 -0.39 0.00 0.00 64.86 63.05 1sqj h ILE 63 Cb 0.01 1.61 -0.07 0.00 -3.07 0.00 0.00 36.82 35.30 1sqj h ILE 63 CO 0.00 0.00 1.60 -0.32 -0.69 0.00 0.00 178.15 178.74 1sqj s MET 64 N -3.27 3.32 0.00 2.37 1.75 -0.82 -3.73 119.30 118.93 1sqj s MET 64 Ca 0.04 -1.44 0.00 0.00 -1.25 0.00 0.00 55.69 53.04 1sqj s MET 64 Cb 0.09 -5.37 0.00 0.00 2.84 0.00 0.00 34.83 32.38 1sqj s MET 64 CO 0.73 -2.90 0.00 0.41 -0.65 0.00 0.00 175.02 172.61 1sqj n GLY 65 N 5.89 0.85 3.35 2.11 0.00 -1.26 -3.78 105.19 112.35 1sqj n GLY 65 Ca 0.44 0.57 -0.41 0.00 0.00 0.00 0.00 46.02 46.63 1sqj n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqj s THR 66 N 0.00 4.50 0.05 2.61 2.01 -0.90 -0.79 115.64 123.12 1sqj s THR 66 Ca 0.00 -1.00 -0.19 0.00 0.31 0.00 0.00 61.69 60.80 1sqj s THR 66 Cb 0.00 -3.58 -0.12 0.00 0.01 0.00 0.00 72.50 68.81 1sqj s THR 66 CO 0.00 -0.31 1.39 -0.08 -0.69 0.00 0.00 174.62 174.93 1sqj h GLU 67 N 8.44 0.40 -2.88 4.92 4.57 -0.88 -3.40 114.58 125.75 1sqj h GLU 67 Ca -0.25 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 57.62 1sqj h GLU 67 Cb 1.10 -0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.46 1sqj h GLU 67 CO 0.69 0.72 -0.25 0.45 -1.18 0.00 0.00 179.01 179.45 1sqj s SER 68 N -6.11 -0.31 -0.08 1.04 0.15 -1.18 -4.78 113.70 102.44 1sqj s SER 68 Ca -0.14 0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1sqj s SER 68 Cb 0.06 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 1sqj s SER 68 CO 0.76 -0.31 -0.06 -0.63 1.20 0.00 0.00 173.24 174.19 1sqj s ILE 69 N -0.63 3.78 -0.02 6.45 1.01 -1.26 -1.61 121.20 128.92 1sqj s ILE 69 Ca -0.07 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1sqj s ILE 69 Cb -0.04 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1sqj s ILE 69 CO 0.03 0.59 -0.07 0.00 0.00 0.00 0.00 174.94 175.49 1sqj s ALA 70 N -0.74 0.71 0.20 9.38 0.00 -0.40 -4.66 121.76 126.26 1sqj s ALA 70 Ca 0.11 -0.26 0.09 0.00 0.00 0.00 0.00 51.96 51.90 1sqj s ALA 70 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1sqj s ALA 70 CO 0.02 0.11 -0.09 -0.51 0.00 0.00 0.00 175.76 175.29 1sqj s LEU 71 N 0.20 2.98 -0.34 0.00 1.43 -1.26 -1.71 118.68 119.97 1sqj s LEU 71 Ca -0.03 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1sqj s LEU 71 Cb -0.07 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1sqj s LEU 71 CO 0.00 0.08 0.23 -0.62 0.23 0.00 0.00 176.35 176.27 1sqj s ASP 72 N -3.04 5.98 0.60 2.29 -1.08 -1.26 -4.37 116.67 115.79 1sqj s ASP 72 Ca 0.26 -0.44 0.33 0.00 -0.52 0.00 0.00 52.55 52.19 1sqj s ASP 72 Cb -0.08 -2.12 1.94 0.00 -1.46 0.00 0.00 42.92 41.20 1sqj s ASP 72 CO 0.16 -0.23 2.27 1.55 0.52 0.00 0.00 175.17 179.44 1sqj h PRO 73 N 8.47 0.00 0.00 4.34 0.13 -1.93 -2.40 132.00 140.61 1sqj h PRO 73 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1sqj h PRO 73 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1sqj h PRO 73 CO 0.63 0.01 -1.06 0.09 -0.23 0.00 0.00 178.00 177.45 1sqj n ASN 74 N -3.63 0.63 -3.60 1.44 3.02 -1.26 -4.71 115.26 107.14 1sqj n ASN 74 Ca -0.03 -0.34 -0.29 0.00 -0.03 0.00 0.00 54.58 53.90 1sqj n ASN 74 Cb 0.10 0.88 -0.12 0.00 -0.61 0.00 0.00 39.78 40.03 1sqj n ASN 74 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1sqj s ASN 75 N -3.74 3.09 0.66 6.41 -0.87 -0.90 -5.00 114.94 114.59 1sqj s ASN 75 Ca 0.04 -2.79 0.33 0.00 -1.57 0.00 0.00 52.86 48.87 1sqj s ASN 75 Cb 0.15 -0.82 1.81 0.00 -0.02 0.00 0.00 41.25 42.37 1sqj s ASN 75 CO 0.81 -0.23 2.04 -0.65 -2.57 0.00 0.00 177.10 176.50 1sqj h PRO 76 N 6.36 0.00 -0.00 -0.60 0.11 -1.84 -2.03 132.00 133.99 1sqj h PRO 76 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1sqj h PRO 76 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1sqj h PRO 76 CO 0.43 0.00 -0.36 -0.25 -0.21 0.00 0.00 178.00 177.61 1sqj n ASP 77 N -3.04 0.39 -4.84 -2.05 8.00 -1.26 -4.87 116.55 108.89 1sqj n ASP 77 Ca -0.01 -0.09 -0.33 0.00 0.71 0.00 0.00 54.79 55.06 1sqj n ASP 77 Cb 0.32 0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 1sqj n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sqj s ARG 78 N -2.97 4.10 -0.10 -1.24 0.52 -0.76 -0.78 118.95 117.71 1sqj s ARG 78 Ca 0.13 0.85 -0.06 0.00 -0.52 0.00 0.00 55.73 56.13 1sqj s ARG 78 Cb 0.18 -2.34 0.04 0.00 0.52 0.00 0.00 34.95 33.35 1sqj s ARG 78 CO 0.65 0.09 0.23 -1.17 0.02 0.00 0.00 175.30 175.12 1sqj s LEU 79 N -3.04 0.58 -0.08 2.53 2.96 -0.94 -4.38 118.68 116.31 1sqj s LEU 79 Ca 0.57 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1sqj s LEU 79 Cb -0.10 0.72 0.01 0.00 0.50 0.00 0.00 46.19 47.31 1sqj s LEU 79 CO 0.16 -0.15 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.55 1sqj s TYR 80 N 1.02 2.05 -0.05 5.38 1.51 -0.70 -1.01 117.35 125.55 1sqj s TYR 80 Ca -0.07 -0.81 0.04 0.00 -1.01 0.00 0.00 57.07 55.21 1sqj s TYR 80 Cb -0.09 -1.41 -0.00 0.00 -0.11 0.00 0.00 41.96 40.35 1sqj s TYR 80 CO -0.07 -0.36 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.34 1sqj s LEU 81 N 0.50 1.89 -0.25 -1.29 1.43 -0.04 -1.27 118.68 119.64 1sqj s LEU 81 Ca -0.17 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 52.49 1sqj s LEU 81 Cb -0.17 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 1sqj s LEU 81 CO 0.06 0.14 0.12 0.00 0.23 0.00 0.00 176.35 176.90 1sqj s ALA 82 N 0.14 3.36 -0.05 4.21 0.00 -0.63 -1.11 121.76 127.68 1sqj s ALA 82 Ca -0.06 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1sqj s ALA 82 Cb -0.12 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.76 1sqj s ALA 82 CO 0.03 -0.41 -0.17 -0.65 0.00 0.00 0.00 175.76 174.56 1sqj s GLN 83 N 1.48 1.83 0.00 0.00 -1.52 0.36 -0.25 119.66 121.57 1sqj s GLN 83 Ca 0.06 -0.59 0.00 0.00 -1.95 0.00 0.00 55.36 52.88 1sqj s GLN 83 Cb -0.15 -1.56 0.00 0.00 -0.22 0.00 0.00 33.01 31.08 1sqj s GLN 83 CO 0.06 0.20 0.00 0.41 -0.25 0.00 0.00 175.29 175.72 1sqj n GLY 84 N 3.27 3.39 0.12 3.09 0.00 0.03 -0.62 105.19 114.47 1sqj n GLY 84 Ca -0.19 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 1sqj n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sqj h ARG 85 N 0.00 0.31 -5.52 1.61 3.08 -1.04 0.17 114.38 112.99 1sqj h ARG 85 Ca 0.00 -0.33 -0.51 0.00 0.07 0.00 0.00 59.98 59.21 1sqj h ARG 85 Cb 0.00 0.10 -0.28 0.00 0.08 0.00 0.00 29.97 29.87 1sqj h ARG 85 CO 0.00 1.03 -0.82 0.71 -1.07 0.00 0.00 179.97 179.82 1sqj s TYR 86 N -3.15 1.42 0.56 3.04 2.02 -1.22 -0.58 117.35 119.44 1sqj s TYR 86 Ca -0.14 -0.30 0.25 0.00 -0.37 0.00 0.00 57.07 56.51 1sqj s TYR 86 Cb 0.02 -0.89 1.53 0.00 -0.40 0.00 0.00 41.96 42.22 1sqj s TYR 86 CO 0.79 0.00 2.10 -0.39 -1.57 0.00 0.00 175.55 176.48 1sqj h VAL 87 N 4.65 0.65 -0.03 0.71 -1.51 -1.59 -1.23 116.25 117.89 1sqj h VAL 87 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1sqj h VAL 87 Cb 1.16 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1sqj h VAL 87 CO 0.47 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.42 1sqj n GLY 88 N -1.48 -0.83 3.77 5.19 0.00 -1.26 -4.75 105.19 105.82 1sqj n GLY 88 Ca 0.02 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1sqj n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sqj s ASP 89 N -1.13 5.95 0.48 1.61 -0.00 -0.47 -4.91 116.67 118.21 1sqj s ASP 89 Ca 0.08 2.34 0.22 0.00 -0.00 0.00 0.00 52.55 55.20 1sqj s ASP 89 Cb 0.04 -2.60 1.26 0.00 -0.00 0.00 0.00 42.92 41.61 1sqj s ASP 89 CO 0.06 -1.07 1.92 1.05 -0.00 0.00 0.00 175.17 177.14 1sqj h GLU 90 N 1.80 0.19 -3.18 8.23 4.11 -1.91 -3.44 114.58 120.37 1sqj h GLU 90 Ca -0.50 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 58.95 1sqj h GLU 90 Cb 1.26 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.39 1sqj h GLU 90 CO 0.59 0.13 0.13 1.67 0.07 0.00 0.00 179.01 181.59 1sqj s TRP 91 N -5.20 -0.08 0.13 2.06 1.48 -1.26 -5.04 118.94 111.03 1sqj s TRP 91 Ca -0.06 -0.32 0.02 0.00 -1.06 0.00 0.00 56.10 54.67 1sqj s TRP 91 Cb 0.21 0.54 -0.04 0.00 -1.16 0.00 0.00 33.47 33.02 1sqj s TRP 91 CO 0.76 -1.12 -0.03 0.00 -4.06 0.00 0.00 176.95 172.50 1sqj s ALA 92 N -3.92 1.11 0.06 2.67 0.00 -1.26 -4.86 121.76 115.56 1sqj s ALA 92 Ca 0.13 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1sqj s ALA 92 Cb -0.04 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1sqj s ALA 92 CO 0.05 -0.28 -0.07 0.00 0.00 0.00 0.00 175.76 175.46 1sqj s ALA 93 N -3.66 0.69 -0.21 0.00 0.00 0.21 -0.87 121.76 117.92 1sqj s ALA 93 Ca 0.17 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 1sqj s ALA 93 Cb 0.06 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1sqj s ALA 93 CO -0.01 -0.08 0.05 -0.06 0.00 0.00 0.00 175.76 175.66 1sqj s PHE 94 N -2.04 3.13 -0.26 0.00 0.08 -0.24 -0.48 117.98 118.16 1sqj s PHE 94 Ca -0.04 -0.22 -0.10 0.00 0.12 0.00 0.00 56.93 56.69 1sqj s PHE 94 Cb -0.05 -2.14 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 1sqj s PHE 94 CO -0.01 -0.13 0.17 0.71 -0.10 0.00 0.00 175.22 175.86 1sqj s TYR 95 N 0.98 3.24 -0.14 0.36 4.12 -0.26 -0.51 117.35 125.14 1sqj s TYR 95 Ca 0.03 0.11 0.02 0.00 0.02 0.00 0.00 57.07 57.25 1sqj s TYR 95 Cb -0.14 -2.32 0.00 0.00 -1.52 0.00 0.00 41.96 37.98 1sqj s TYR 95 CO 0.03 -0.09 -0.20 0.08 0.02 0.00 0.00 175.55 175.39 1sqj s VAL 96 N 1.47 2.30 0.11 0.71 1.01 -0.03 -0.87 120.40 125.11 1sqj s VAL 96 Ca 0.07 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1sqj s VAL 96 Cb -0.15 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1sqj s VAL 96 CO 0.08 0.54 -0.20 -0.55 0.00 0.00 0.00 175.10 174.97 1sqj s SER 97 N 0.75 2.50 0.00 3.32 0.15 -0.18 -0.55 113.70 119.68 1sqj s SER 97 Ca -0.08 -0.71 0.11 0.00 0.70 0.00 0.00 55.95 55.97 1sqj s SER 97 Cb -0.16 -0.14 0.22 0.00 -1.71 0.00 0.00 66.02 64.24 1sqj s SER 97 CO 0.00 0.03 1.10 -0.62 1.20 0.00 0.00 173.24 174.95 1sqj n GLU 98 N 0.97 1.95 -2.81 5.44 -0.58 -1.26 -2.21 120.64 122.14 1sqj n GLU 98 Ca -0.19 -1.70 -0.00 0.00 -0.42 0.00 0.00 57.16 54.85 1sqj n GLU 98 Cb 0.54 -1.25 0.06 0.00 -0.57 0.00 0.00 31.44 30.22 1sqj n GLU 98 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1sqj n ASP 99 N 0.57 1.18 -2.76 1.62 3.85 -0.97 -4.58 116.55 115.45 1sqj n ASP 99 Ca 0.10 -2.05 -0.21 0.00 -0.71 0.00 0.00 54.79 51.92 1sqj n ASP 99 Cb 0.37 -0.33 0.03 0.00 -1.35 0.00 0.00 41.12 39.84 1sqj n ASP 99 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1sqj n ARG 100 N -0.71 -4.37 -0.98 0.11 1.74 0.04 -2.71 116.66 109.78 1sqj n ARG 100 Ca 0.04 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 1sqj n ARG 100 Cb 0.81 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 1sqj n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqj n GLY 101 N -1.44 0.42 0.12 -0.13 0.00 -1.26 -4.93 105.19 97.96 1sqj n GLY 101 Ca -0.11 -0.82 -0.04 0.00 0.00 0.00 0.00 46.02 45.05 1sqj n GLY 101 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1sqj h GLN 102 N 0.25 0.05 -3.91 1.61 1.08 -1.88 -3.44 115.11 108.87 1sqj h GLN 102 Ca 0.00 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 56.98 1sqj h GLN 102 Cb 0.00 0.01 -0.22 0.00 -0.05 0.00 0.00 27.48 27.22 1sqj h GLN 102 CO 0.00 0.77 -0.68 -1.54 -0.95 0.00 0.00 178.83 176.43 1sqj s SER 103 N -6.83 0.20 0.05 1.46 1.04 -1.26 -1.64 113.70 106.70 1sqj s SER 103 Ca -0.01 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.05 1sqj s SER 103 Cb 0.12 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 1sqj s SER 103 CO 0.79 -0.28 -0.15 -0.36 0.98 0.00 0.00 173.24 174.22 1sqj s PHE 104 N -1.30 1.31 -0.14 5.02 0.40 -0.37 -4.32 117.98 118.58 1sqj s PHE 104 Ca -0.14 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 1sqj s PHE 104 Cb -0.09 -0.77 -0.05 0.00 0.51 0.00 0.00 43.02 42.63 1sqj s PHE 104 CO -0.01 0.05 0.21 0.99 0.70 0.00 0.00 175.22 177.17 1sqj s THR 105 N -0.91 5.37 -0.17 0.64 2.01 0.28 -2.44 115.64 120.42 1sqj s THR 105 Ca 0.02 0.38 -0.06 0.00 0.31 0.00 0.00 61.69 62.33 1sqj s THR 105 Cb -0.08 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1sqj s THR 105 CO 0.02 0.50 0.03 -0.63 -0.69 0.00 0.00 174.62 173.84 1sqj s ILE 106 N -0.22 4.51 0.11 1.82 1.01 0.03 -0.85 121.20 127.60 1sqj s ILE 106 Ca 0.14 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1sqj s ILE 106 Cb -0.13 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1sqj s ILE 106 CO 0.03 0.48 -0.08 -0.31 0.00 0.00 0.00 174.94 175.07 1sqj s TYR 107 N 0.26 2.78 -0.10 3.97 1.51 0.34 -1.69 117.35 124.41 1sqj s TYR 107 Ca 0.02 -0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.64 1sqj s TYR 107 Cb -0.13 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1sqj s TYR 107 CO 0.01 0.44 1.04 -2.00 -1.11 0.00 0.00 175.55 173.94 1sqj s GLU 108 N -2.30 4.40 0.19 -0.62 2.12 -1.26 -1.08 118.70 120.15 1sqj s GLU 108 Ca 0.23 1.44 -0.30 0.00 0.36 0.00 0.00 54.97 56.69 1sqj s GLU 108 Cb -0.11 -3.55 -0.08 0.00 0.26 0.00 0.00 34.13 30.65 1sqj s GLU 108 CO 0.15 -0.35 1.22 0.45 -0.54 0.00 0.00 175.26 176.19 1sqj s SER 109 N 1.16 7.04 0.32 -1.70 0.15 -0.05 -4.85 113.70 115.79 1sqj s SER 109 Ca 0.49 2.27 0.25 0.00 0.70 0.00 0.00 55.95 59.67 1sqj s SER 109 Cb -0.19 -2.61 1.12 0.00 -1.71 0.00 0.00 66.02 62.63 1sqj s SER 109 CO 0.18 -0.41 1.77 1.55 1.20 0.00 0.00 173.24 177.53 1sqj h PRO 110 N 5.25 0.00 -5.09 5.44 0.13 -1.95 -3.44 132.00 132.33 1sqj h PRO 110 Ca -0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.35 1sqj h PRO 110 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 1sqj h PRO 110 CO 0.75 0.00 -0.72 -0.59 -0.23 0.00 0.00 178.00 177.21 1sqj s PHE 111 N -3.43 1.24 0.60 1.56 -0.71 -1.26 -5.14 117.98 110.83 1sqj s PHE 111 Ca 0.02 -0.71 -0.17 0.00 -1.04 0.00 0.00 56.93 55.04 1sqj s PHE 111 Cb 0.09 -0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 1sqj s PHE 111 CO 0.38 0.07 1.10 -2.14 -1.34 0.00 0.00 175.22 173.30 1sqj s PRO 112 N -3.38 3.12 0.24 1.99 0.02 -1.26 -4.70 135.00 131.02 1sqj s PRO 112 Ca 0.13 1.41 0.09 0.00 0.02 0.00 0.00 61.00 62.65 1sqj s PRO 112 Cb 0.00 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1sqj s PRO 112 CO 0.01 -1.00 -0.16 -1.64 -0.33 0.00 0.00 177.00 173.88 1sqj s MET 113 N -3.82 1.47 -0.39 5.54 -1.94 -1.26 -4.49 119.30 114.40 1sqj s MET 113 Ca 0.68 -1.67 0.09 0.00 -1.71 0.00 0.00 55.69 53.08 1sqj s MET 113 Cb -0.20 -1.37 0.28 0.00 2.01 0.00 0.00 34.83 35.55 1sqj s MET 113 CO 0.35 0.23 0.63 0.41 -0.01 0.00 0.00 175.02 176.64 1sqj n GLY 114 N -0.48 2.83 0.31 -0.03 0.00 -1.21 -1.43 105.19 105.18 1sqj n GLY 114 Ca -0.07 -1.44 0.16 0.00 0.00 0.00 0.00 46.02 44.67 1sqj n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj h ALA 115 N 3.65 1.54 -0.05 4.61 0.00 0.04 -1.61 119.26 127.44 1sqj h ALA 115 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1sqj h ALA 115 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1sqj h ALA 115 CO 0.45 -0.08 -0.16 -1.71 0.00 0.00 0.00 179.25 177.75 1sqj n ASN 116 N -3.75 2.29 -4.98 0.00 5.15 0.25 -4.38 115.26 109.85 1sqj n ASN 116 Ca -0.02 -3.39 -0.20 0.00 -0.60 0.00 0.00 54.58 50.37 1sqj n ASN 116 Cb 0.14 -0.49 0.02 0.00 -0.53 0.00 0.00 39.78 38.92 1sqj n ASN 116 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1sqj s ASP 117 N -2.89 5.60 0.59 1.20 1.01 -0.61 -4.94 116.67 116.64 1sqj s ASP 117 Ca 0.36 -0.08 -0.18 0.00 0.71 0.00 0.00 52.55 53.35 1sqj s ASP 117 Cb 0.32 -1.01 -0.06 0.00 1.01 0.00 0.00 42.92 43.18 1sqj s ASP 117 CO 0.00 -0.84 0.76 0.23 0.21 0.00 0.00 175.17 175.54 1sqj n MET 118 N -2.05 0.71 -0.88 8.23 2.81 -1.26 -2.61 117.12 122.07 1sqj n MET 118 Ca 0.05 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1sqj n MET 118 Cb 0.59 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 1sqj n MET 118 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sqj n GLY 119 N 1.52 0.97 0.32 3.03 0.00 0.62 -4.87 105.19 106.78 1sqj n GLY 119 Ca 0.13 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.34 1sqj n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1sqj h ARG 120 N 3.20 0.00 0.00 1.61 0.11 -1.74 0.84 114.38 118.40 1sqj h ARG 120 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1sqj h ARG 120 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 1sqj h ARG 120 CO 0.00 0.01 -0.02 -2.95 0.10 0.00 0.00 179.97 177.11 1sqj h ASN 121 N 0.00 0.00 -3.11 0.08 -1.07 -1.86 -3.43 115.58 106.19 1sqj h ASN 121 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.78 1sqj h ASN 121 Cb 0.04 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.24 1sqj h ASN 121 CO 0.00 0.02 -0.13 0.20 0.07 0.00 0.00 177.43 177.58 1sqj s ASN 122 N -6.23 6.91 0.00 6.14 0.01 0.29 -4.77 114.94 117.29 1sqj s ASN 122 Ca -0.05 1.08 0.00 0.00 -0.71 0.00 0.00 52.86 53.19 1sqj s ASN 122 Cb 0.15 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.51 1sqj s ASN 122 CO 0.56 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 177.06 1sqj n GLY 123 N 1.79 0.73 1.23 0.66 0.00 -1.24 -4.81 105.19 103.56 1sqj n GLY 123 Ca -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1sqj n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sqj n GLU 124 N 0.00 0.00 0.18 1.61 4.71 -1.24 -4.88 120.64 121.02 1sqj n GLU 124 Ca 0.00 0.41 0.06 0.00 -0.01 0.00 0.00 57.16 57.62 1sqj n GLU 124 Cb 0.00 -1.18 0.20 0.00 -1.01 0.00 0.00 31.44 29.45 1sqj n GLU 124 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sqj h ARG 125 N 0.00 0.00 -5.68 3.49 3.08 -1.87 -2.78 114.38 110.62 1sqj h ARG 125 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 1sqj h ARG 125 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 1sqj h ARG 125 CO 0.00 0.34 -0.58 -1.17 -1.07 0.00 0.00 179.97 177.49 1sqj s LEU 126 N -6.56 3.78 -0.18 3.04 2.96 -1.26 -0.63 118.68 119.83 1sqj s LEU 126 Ca 0.03 0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 53.99 1sqj s LEU 126 Cb 0.08 -1.90 0.06 0.00 0.50 0.00 0.00 46.19 44.92 1sqj s LEU 126 CO 0.70 0.32 0.46 0.00 -1.32 0.00 0.00 176.35 176.50 1sqj s ALA 127 N -0.50 -1.17 -0.09 5.97 0.00 -0.57 -4.47 121.76 120.93 1sqj s ALA 127 Ca 0.10 1.53 -0.22 0.00 0.00 0.00 0.00 51.96 53.37 1sqj s ALA 127 Cb -0.12 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1sqj s ALA 127 CO 0.02 -0.26 0.64 0.08 0.00 0.00 0.00 175.76 176.24 1sqj s VAL 128 N 0.97 5.08 -0.12 0.00 1.01 -1.26 -0.32 120.40 125.77 1sqj s VAL 128 Ca -0.06 1.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.91 1sqj s VAL 128 Cb -0.06 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1sqj s VAL 128 CO -0.08 0.26 2.05 -3.20 0.00 0.00 0.00 175.10 174.13 1sqj n ASN 129 N 3.85 3.47 0.32 3.32 2.85 -0.79 -4.87 115.26 123.41 1sqj n ASN 129 Ca -0.03 0.65 0.20 0.00 -0.11 0.00 0.00 54.58 55.29 1sqj n ASN 129 Cb 0.51 -1.47 1.04 0.00 1.24 0.00 0.00 39.78 41.10 1sqj n ASN 129 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1sqj h PRO 130 N 11.83 0.00 -0.01 1.20 0.13 -1.91 -2.32 132.00 140.92 1sqj h PRO 130 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1sqj h PRO 130 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1sqj h PRO 130 CO 0.96 0.01 -0.48 1.19 -0.23 0.00 0.00 178.00 179.45 1sqj n PHE 131 N -3.18 0.00 -3.33 1.56 3.01 -1.26 -4.77 117.46 109.49 1sqj n PHE 131 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.31 1sqj n PHE 131 Cb 0.14 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 1sqj n PHE 131 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1sqj s ASN 132 N -2.50 0.73 0.32 4.37 3.04 -0.87 -5.01 114.94 115.01 1sqj s ASN 132 Ca 0.18 -1.15 0.18 0.00 0.04 0.00 0.00 52.86 52.12 1sqj s ASN 132 Cb 0.18 0.84 0.99 0.00 -1.54 0.00 0.00 41.25 41.73 1sqj s ASN 132 CO 0.58 -0.28 1.52 -1.54 -3.04 0.00 0.00 177.10 174.34 1sqj n SER 133 N 4.60 0.47 0.13 -4.21 3.41 -1.24 -0.48 113.62 116.32 1sqj n SER 133 Ca 0.08 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 1sqj n SER 133 Cb 0.48 -0.71 0.27 0.00 -0.26 0.00 0.00 64.21 63.99 1sqj n SER 133 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1sqj h ASN 134 N 0.00 0.00 -3.62 4.04 -0.26 -1.89 -3.46 115.58 110.39 1sqj h ASN 134 Ca 0.00 -0.03 -0.62 0.00 -0.56 0.00 0.00 56.30 55.09 1sqj h ASN 134 Cb 0.23 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 37.35 1sqj h ASN 134 CO 0.00 0.01 -0.29 -0.70 -1.06 0.00 0.00 177.43 175.39 1sqj s GLU 135 N -3.16 4.08 -0.10 0.81 2.12 0.37 -1.11 118.70 121.71 1sqj s GLU 135 Ca 0.08 0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.44 1sqj s GLU 135 Cb 0.10 -3.59 0.02 0.00 0.26 0.00 0.00 34.13 30.91 1sqj s GLU 135 CO 0.65 -0.12 -0.13 0.08 -0.54 0.00 0.00 175.26 175.20 1sqj s VAL 136 N 1.59 1.30 0.07 3.70 1.01 -0.56 -1.88 120.40 125.64 1sqj s VAL 136 Ca 0.14 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1sqj s VAL 136 Cb -0.15 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1sqj s VAL 136 CO 0.08 0.40 0.08 0.26 0.00 0.00 0.00 175.10 175.92 1sqj s TRP 137 N 1.03 3.19 -0.05 5.22 0.52 0.57 -0.56 118.94 128.87 1sqj s TRP 137 Ca -0.07 0.09 -0.01 0.00 0.02 0.00 0.00 56.10 56.13 1sqj s TRP 137 Cb -0.15 -1.63 0.03 0.00 -1.15 0.00 0.00 33.47 30.57 1sqj s TRP 137 CO -0.01 0.52 0.03 1.41 0.02 0.00 0.00 176.95 178.92 1sqj s MET 138 N -2.30 0.24 -0.12 4.98 1.75 -0.15 -1.52 119.30 122.18 1sqj s MET 138 Ca 0.28 0.22 -0.28 0.00 -1.25 0.00 0.00 55.69 54.66 1sqj s MET 138 Cb -0.12 -0.67 -0.01 0.00 2.84 0.00 0.00 34.83 36.87 1sqj s MET 138 CO 0.21 -0.28 0.95 0.20 -0.65 0.00 0.00 175.02 175.45 1sqj s GLY 139 N 1.86 2.30 0.41 2.11 0.00 0.20 -1.23 107.32 112.96 1sqj s GLY 139 Ca 0.02 0.28 0.07 0.00 0.00 0.00 0.00 44.72 45.09 1sqj s GLY 139 CO -0.04 1.83 0.14 -0.51 0.00 0.00 0.00 173.10 174.53 1sqj s THR 140 N 2.01 2.27 0.09 0.90 -4.23 -0.43 -4.75 115.64 111.50 1sqj s THR 140 Ca 0.45 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1sqj s THR 140 Cb -0.18 -2.99 -0.25 0.00 1.34 0.00 0.00 72.50 70.42 1sqj s THR 140 CO 0.16 -0.01 1.17 0.03 -0.54 0.00 0.00 174.62 175.44 1sqj h ARG 141 N 1.51 0.14 0.00 3.99 3.08 -1.79 -1.48 114.38 119.83 1sqj h ARG 141 Ca -0.43 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.38 1sqj h ARG 141 Cb 1.25 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1sqj h ARG 141 CO 0.72 1.09 0.00 0.25 -1.07 0.00 0.00 179.97 180.96 1sqj n THR 142 N -3.43 0.00 -1.91 2.04 -2.24 -1.26 -0.51 114.28 106.97 1sqj n THR 142 Ca -0.05 -0.09 0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1sqj n THR 142 Cb 0.99 1.43 0.03 0.00 -2.10 0.00 0.00 70.33 70.67 1sqj n THR 142 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sqj n GLU 143 N -0.08 0.21 0.00 -0.78 1.02 -1.26 -4.69 120.64 115.05 1sqj n GLU 143 Ca 0.00 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 1sqj n GLU 143 Cb 0.11 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 1sqj n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sqj n GLY 144 N -0.17 0.69 3.32 0.62 0.00 -1.25 -4.82 105.19 103.56 1sqj n GLY 144 Ca 0.03 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 1sqj n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqj s ILE 145 N 0.00 2.23 0.10 -0.61 1.01 -1.26 -1.31 121.20 121.36 1sqj s ILE 145 Ca 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 60.65 59.69 1sqj s ILE 145 Cb 0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1sqj s ILE 145 CO 0.00 0.58 -0.15 0.26 0.00 0.00 0.00 174.94 175.62 1sqj s TRP 146 N -0.40 1.40 -0.06 3.97 0.52 -0.37 -0.58 118.94 123.41 1sqj s TRP 146 Ca 0.04 -0.50 0.03 0.00 0.02 0.00 0.00 56.10 55.68 1sqj s TRP 146 Cb -0.12 -0.75 0.01 0.00 -1.15 0.00 0.00 33.47 31.46 1sqj s TRP 146 CO 0.01 0.13 -0.13 0.21 0.02 0.00 0.00 176.95 177.19 1sqj s LYS 147 N -2.24 1.74 -0.12 4.98 2.20 -0.37 -0.98 119.74 124.95 1sqj s LYS 147 Ca 0.05 -0.46 -0.05 0.00 -0.36 0.00 0.00 55.97 55.15 1sqj s LYS 147 Cb -0.07 -1.44 -0.04 0.00 -1.51 0.00 0.00 37.83 34.77 1sqj s LYS 147 CO 0.03 0.08 0.05 0.45 -0.36 0.00 0.00 175.35 175.60 1sqj s SER 148 N 0.51 5.63 0.00 1.43 0.15 0.27 -0.01 113.70 121.68 1sqj s SER 148 Ca -0.12 0.20 0.19 0.00 0.70 0.00 0.00 55.95 56.92 1sqj s SER 148 Cb -0.15 -1.77 0.14 0.00 -1.71 0.00 0.00 66.02 62.54 1sqj s SER 148 CO 0.04 0.33 1.09 -1.20 1.20 0.00 0.00 173.24 174.70 1sqj n SER 149 N 2.51 2.54 -2.53 5.45 7.64 -1.26 -1.49 113.62 126.48 1sqj n SER 149 Ca -0.18 -1.77 -0.14 0.00 1.01 0.00 0.00 58.87 57.78 1sqj n SER 149 Cb 0.54 0.03 0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1sqj n SER 149 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1sqj n ASP 150 N 1.01 2.99 -3.81 6.43 3.85 -1.20 -4.60 116.55 121.21 1sqj n ASP 150 Ca 0.11 -3.01 -0.27 0.00 -0.71 0.00 0.00 54.79 50.91 1sqj n ASP 150 Cb 0.47 -0.46 0.04 0.00 -1.35 0.00 0.00 41.12 39.81 1sqj n ASP 150 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1sqj n ARG 151 N -0.42 -5.72 -0.73 0.11 1.74 -0.27 -2.70 116.66 108.67 1sqj n ARG 151 Ca 0.23 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1sqj n ARG 151 Cb 0.80 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 26.77 1sqj n ARG 151 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sqj n ALA 152 N -4.62 0.00 -0.00 7.54 0.00 -1.26 -4.97 120.51 117.21 1sqj n ALA 152 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1sqj n ALA 152 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 1sqj n ALA 152 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sqj h LYS 153 N 2.24 -0.05 -5.29 0.00 3.64 -1.93 -3.46 116.57 111.72 1sqj h LYS 153 Ca 0.00 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.96 1sqj h LYS 153 Cb 0.00 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 31.69 1sqj h LYS 153 CO 0.00 0.47 -0.68 0.95 -2.27 0.00 0.00 179.45 177.93 1sqj s THR 154 N -3.92 1.35 -0.01 1.00 -4.23 -1.26 -4.92 115.64 103.64 1sqj s THR 154 Ca -0.16 -2.09 -0.02 0.00 -1.18 0.00 0.00 61.69 58.25 1sqj s THR 154 Cb 0.01 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1sqj s THR 154 CO 0.64 -0.39 0.05 0.26 -0.54 0.00 0.00 174.62 174.63 1sqj s TRP 155 N -3.21 -0.01 -0.00 3.99 0.52 -1.26 -4.04 118.94 114.92 1sqj s TRP 155 Ca 0.27 0.04 0.06 0.00 0.02 0.00 0.00 56.10 56.49 1sqj s TRP 155 Cb 0.04 -0.01 -0.02 0.00 -1.15 0.00 0.00 33.47 32.33 1sqj s TRP 155 CO 0.09 -0.06 -0.19 -0.08 0.02 0.00 0.00 176.95 176.73 1sqj s THR 156 N -0.24 1.48 0.08 2.01 -1.32 0.98 -4.93 115.64 113.71 1sqj s THR 156 Ca -0.03 -0.88 -0.31 0.00 -1.21 0.00 0.00 61.69 59.27 1sqj s THR 156 Cb -0.02 -1.25 -0.07 0.00 -1.51 0.00 0.00 72.50 69.66 1sqj s THR 156 CO 0.00 0.35 1.31 0.21 -2.21 0.00 0.00 174.62 174.28 1sqj s ASN 157 N -0.61 6.94 -0.91 8.08 3.04 -1.26 -1.24 114.94 128.98 1sqj s ASN 157 Ca 0.07 2.17 -0.23 0.00 0.04 0.00 0.00 52.86 54.91 1sqj s ASN 157 Cb -0.07 -2.58 0.06 0.00 -1.54 0.00 0.00 41.25 37.11 1sqj s ASN 157 CO -0.00 -0.58 1.33 -0.69 -3.04 0.00 0.00 177.10 174.12 1sqj s VAL 158 N 1.19 4.00 -0.83 -5.21 1.01 0.25 -4.82 120.40 115.99 1sqj s VAL 158 Ca 0.62 -0.53 0.27 0.00 0.00 0.00 0.00 61.98 62.34 1sqj s VAL 158 Cb -0.33 -4.96 0.24 0.00 0.00 0.00 0.00 36.38 31.33 1sqj s VAL 158 CO 0.29 -1.83 1.78 0.35 0.00 0.00 0.00 175.10 175.70 1sqj n THR 159 N 6.50 0.35 0.69 3.92 -2.24 -1.26 -3.32 114.28 118.92 1sqj n THR 159 Ca 0.21 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1sqj n THR 159 Cb 0.50 -0.49 0.47 0.00 -2.10 0.00 0.00 70.33 68.71 1sqj n THR 159 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sqj n SER 160 N -1.96 0.37 -4.69 3.42 3.41 -1.26 -4.79 113.62 108.12 1sqj n SER 160 Ca 0.06 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.80 1sqj n SER 160 Cb 0.40 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 1sqj n SER 160 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1sqj s ILE 161 N -3.09 2.91 0.39 -1.33 1.10 -1.21 -4.56 121.20 115.42 1sqj s ILE 161 Ca 0.10 0.34 0.08 0.00 -0.51 0.00 0.00 60.65 60.66 1sqj s ILE 161 Cb 0.13 -3.22 0.29 0.00 0.15 0.00 0.00 42.46 39.81 1sqj s ILE 161 CO 0.48 -0.00 2.00 -0.65 -2.11 0.00 0.00 174.94 174.65 1sqj h PRO 162 N 8.57 0.62 -3.50 3.50 0.11 -1.90 -3.39 132.00 136.02 1sqj h PRO 162 Ca -0.44 -0.04 -0.42 0.00 0.11 0.00 0.00 66.00 65.21 1sqj h PRO 162 Cb 1.21 -0.14 -0.39 0.00 0.11 0.00 0.00 31.00 31.79 1sqj h PRO 162 CO 0.94 0.41 -0.76 0.34 -0.21 0.00 0.00 178.00 178.72 1sqj s ASP 163 N -6.38 1.63 0.08 -2.05 -1.08 -1.26 -5.04 116.67 102.57 1sqj s ASP 163 Ca -0.09 -0.14 0.27 0.00 -0.52 0.00 0.00 52.55 52.06 1sqj s ASP 163 Cb 0.19 -0.34 1.04 0.00 -1.46 0.00 0.00 42.92 42.35 1sqj s ASP 163 CO 0.75 -0.24 1.83 0.00 0.52 0.00 0.00 175.17 178.04 1sqj n ALA 164 N 5.20 2.23 -3.89 3.66 0.00 -1.26 -4.96 120.51 121.50 1sqj n ALA 164 Ca -0.06 -0.06 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 1sqj n ALA 164 Cb 0.50 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.52 1sqj n ALA 164 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sqj n PHE 165 N -1.77 -1.66 -1.60 0.00 3.01 -1.26 -3.83 117.46 110.35 1sqj n PHE 165 Ca 0.06 0.35 -0.40 0.00 1.01 0.00 0.00 57.45 58.48 1sqj n PHE 165 Cb 0.35 -3.21 -0.02 0.00 -0.01 0.00 0.00 39.48 36.59 1sqj n PHE 165 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1sqj n THR 166 N -4.55 4.55 0.03 4.37 -2.24 -1.26 -3.57 114.28 111.61 1sqj n THR 166 Ca -0.14 -3.24 0.02 0.00 -2.27 0.00 0.00 64.05 58.42 1sqj n THR 166 Cb 0.60 -2.44 0.04 0.00 -2.10 0.00 0.00 70.33 66.43 1sqj n THR 166 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1sqj n ASN 167 N 3.20 1.97 0.00 3.42 2.04 -1.22 -4.86 115.26 119.80 1sqj n ASN 167 Ca 0.70 -1.69 0.00 0.00 -0.44 0.00 0.00 54.58 53.15 1sqj n ASN 167 Cb 0.25 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.45 1sqj n ASN 167 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1sqj n GLY 168 N 0.02 2.71 0.24 4.83 0.00 0.33 -4.80 105.19 108.52 1sqj n GLY 168 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1sqj n GLY 168 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sqj n ILE 169 N -2.00 1.36 -4.53 -0.61 2.08 -1.20 -4.81 119.36 109.65 1sqj n ILE 169 Ca 0.00 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.03 1sqj n ILE 169 Cb 0.00 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.00 1sqj n ILE 169 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1sqj n GLY 170 N 1.50 0.32 3.54 7.39 0.00 -1.20 -4.28 105.19 112.46 1sqj n GLY 170 Ca -0.44 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1sqj n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqj s TYR 171 N 0.00 2.89 -1.84 1.61 1.51 -0.56 -3.01 117.35 117.95 1sqj s TYR 171 Ca 0.00 0.16 0.26 0.00 -1.01 0.00 0.00 57.07 56.48 1sqj s TYR 171 Cb 0.00 -3.93 0.77 0.00 -0.11 0.00 0.00 41.96 38.69 1sqj s TYR 171 CO 0.00 -1.17 1.57 0.25 -1.11 0.00 0.00 175.55 175.10 1sqj n THR 172 N 6.25 0.00 -3.69 -0.71 -2.24 -0.34 -3.62 114.28 109.93 1sqj n THR 172 Ca 0.03 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1sqj n THR 172 Cb 0.48 0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 69.03 1sqj n THR 172 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1sqj s SER 173 N -2.45 -0.25 -0.10 3.42 0.15 -0.83 -3.60 113.70 110.04 1sqj s SER 173 Ca 0.26 0.78 0.01 0.00 0.70 0.00 0.00 55.95 57.69 1sqj s SER 173 Cb 0.19 0.80 0.02 0.00 -1.71 0.00 0.00 66.02 65.32 1sqj s SER 173 CO 0.50 -0.20 -0.11 -0.69 1.20 0.00 0.00 173.24 173.94 1sqj s VAL 174 N 1.81 1.16 -0.03 4.45 1.01 -1.05 -0.84 120.40 126.91 1sqj s VAL 174 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1sqj s VAL 174 Cb -0.10 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1sqj s VAL 174 CO -0.11 0.38 0.00 -0.63 0.00 0.00 0.00 175.10 174.74 1sqj s ILE 175 N 1.18 0.17 0.13 2.22 1.01 -0.49 -4.63 121.20 120.78 1sqj s ILE 175 Ca -0.04 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 1sqj s ILE 175 Cb -0.14 -0.28 -0.06 0.00 0.01 0.00 0.00 42.46 41.98 1sqj s ILE 175 CO -0.03 0.15 0.46 -0.36 0.00 0.00 0.00 174.94 175.16 1sqj s PHE 176 N 1.13 3.55 -0.29 3.97 0.40 -1.26 -0.57 117.98 124.91 1sqj s PHE 176 Ca -0.08 0.84 -0.29 0.00 -0.60 0.00 0.00 56.93 56.80 1sqj s PHE 176 Cb -0.13 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.19 1sqj s PHE 176 CO -0.02 0.45 1.23 0.34 0.70 0.00 0.00 175.22 177.92 1sqj s ASP 177 N -1.92 6.78 0.00 1.36 -1.08 -0.79 -4.90 116.67 116.12 1sqj s ASP 177 Ca 0.37 1.21 0.21 0.00 -0.52 0.00 0.00 52.55 53.83 1sqj s ASP 177 Cb -0.14 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.69 1sqj s ASP 177 CO 0.20 -0.99 1.68 -0.81 0.52 0.00 0.00 175.17 175.77 1sqj n PRO 178 N 7.11 0.00 -0.02 4.34 -0.04 -1.26 -3.01 135.00 142.12 1sqj n PRO 178 Ca 0.14 0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.79 1sqj n PRO 178 Cb 0.47 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 1sqj n PRO 178 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1sqj n GLU 179 N -1.50 0.66 -3.74 0.54 4.07 -1.26 -4.90 120.64 114.51 1sqj n GLU 179 Ca 0.05 -0.10 -0.29 0.00 -0.06 0.00 0.00 57.16 56.76 1sqj n GLU 179 Cb 0.25 -1.57 -0.16 0.00 -0.06 0.00 0.00 31.44 29.90 1sqj n GLU 179 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1sqj s ARG 180 N -3.24 0.75 0.26 5.31 3.52 -1.16 -5.11 118.95 119.27 1sqj s ARG 180 Ca -0.07 -0.80 -0.31 0.00 -0.13 0.00 0.00 55.73 54.42 1sqj s ARG 180 Cb 0.11 -2.05 -0.13 0.00 -1.56 0.00 0.00 34.95 31.32 1sqj s ARG 180 CO 0.87 -0.82 1.41 -1.71 -0.81 0.00 0.00 175.30 174.24 1sqj n ASN 181 N 4.93 2.84 0.00 -2.12 5.15 -1.26 -1.92 115.26 122.87 1sqj n ASN 181 Ca -0.06 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.07 1sqj n ASN 181 Cb 0.44 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 1sqj n ASN 181 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sqj n GLY 182 N 2.01 2.45 3.62 8.20 0.00 -1.26 -4.88 105.19 115.33 1sqj n GLY 182 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1sqj n GLY 182 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqj s THR 183 N -2.22 5.13 -0.00 2.61 2.01 -0.81 -0.46 115.64 121.90 1sqj s THR 183 Ca 0.00 0.72 0.02 0.00 0.31 0.00 0.00 61.69 62.74 1sqj s THR 183 Cb 0.00 -3.76 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 1sqj s THR 183 CO 0.00 0.14 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.38 1sqj s ILE 184 N 2.05 0.45 -0.29 1.82 1.01 -0.71 -1.88 121.20 123.67 1sqj s ILE 184 Ca 0.18 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 1sqj s ILE 184 Cb -0.16 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1sqj s ILE 184 CO 0.09 0.12 0.14 -0.31 0.00 0.00 0.00 174.94 174.98 1sqj s TYR 185 N -0.15 3.16 -0.22 3.97 1.51 0.26 -1.20 117.35 124.67 1sqj s TYR 185 Ca 0.02 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.67 1sqj s TYR 185 Cb -0.02 -2.33 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 1sqj s TYR 185 CO -0.00 -0.36 -0.01 0.00 -1.11 0.00 0.00 175.55 174.08 1sqj s ALA 186 N 1.65 2.95 -0.11 3.71 0.00 0.35 -1.40 121.76 128.92 1sqj s ALA 186 Ca 0.06 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1sqj s ALA 186 Cb -0.16 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1sqj s ALA 186 CO 0.07 -0.37 -0.16 -1.12 0.00 0.00 0.00 175.76 174.18 1sqj s SER 187 N 1.39 2.48 -0.07 0.00 0.01 -0.02 -0.20 113.70 117.29 1sqj s SER 187 Ca 0.05 -0.44 -0.07 0.00 1.31 0.00 0.00 55.95 56.80 1sqj s SER 187 Cb -0.15 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.93 1sqj s SER 187 CO -0.00 0.03 0.19 0.00 0.41 0.00 0.00 173.24 173.86 1sqj s ALA 188 N 0.93 3.88 -0.84 1.44 0.00 0.93 -1.20 121.76 126.90 1sqj s ALA 188 Ca -0.08 -0.63 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 1sqj s ALA 188 Cb -0.15 -2.00 0.04 0.00 0.00 0.00 0.00 23.12 21.02 1sqj s ALA 188 CO -0.01 0.64 1.32 0.99 0.00 0.00 0.00 175.76 178.71 1sqj s THR 189 N -1.14 3.84 0.00 0.00 2.01 -1.16 -4.10 115.64 115.09 1sqj s THR 189 Ca 0.20 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1sqj s THR 189 Cb -0.13 -4.96 0.00 0.00 0.01 0.00 0.00 72.50 67.43 1sqj s THR 189 CO 0.10 -1.86 0.00 0.00 -0.69 0.00 0.00 174.62 172.16 1sqj n ALA 190 N 9.06 0.00 -1.66 7.40 0.00 -1.26 -4.77 120.51 129.29 1sqj n ALA 190 Ca 0.14 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.12 1sqj n ALA 190 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1sqj n ALA 190 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sqj n PRO 191 N -0.05 1.95 -4.03 0.00 -0.02 -1.26 -1.78 135.00 129.81 1sqj n PRO 191 Ca 0.00 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 1sqj n PRO 191 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 1sqj n PRO 191 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1sqj n GLN 192 N 2.84 -4.47 0.00 -0.52 6.02 -1.26 -4.86 117.38 115.13 1sqj n GLN 192 Ca 0.16 0.50 0.05 0.00 -0.01 0.00 0.00 57.00 57.69 1sqj n GLN 192 Cb 0.28 -5.33 0.28 0.00 1.02 0.00 0.00 30.24 26.49 1sqj n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqj n GLY 193 N -1.55 -0.98 3.63 1.08 0.00 -0.73 -4.85 105.19 101.78 1sqj n GLY 193 Ca 0.06 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1sqj n GLY 193 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sqj s MET 194 N -2.00 4.09 0.06 1.61 -1.94 -1.26 -0.05 119.30 119.80 1sqj s MET 194 Ca 0.14 0.27 0.08 0.00 -1.71 0.00 0.00 55.69 54.47 1sqj s MET 194 Cb 0.06 -3.63 -0.03 0.00 2.01 0.00 0.00 34.83 33.25 1sqj s MET 194 CO 0.11 -0.28 -0.22 0.71 -0.01 0.00 0.00 175.02 175.33 1sqj s TYR 195 N 2.07 1.88 -0.01 -0.03 1.51 0.73 -1.91 117.35 121.60 1sqj s TYR 195 Ca 0.20 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 1sqj s TYR 195 Cb -0.16 -1.10 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 1sqj s TYR 195 CO 0.09 0.13 -0.16 0.54 -1.11 0.00 0.00 175.55 175.04 1sqj s VAL 196 N -0.88 1.24 0.24 0.71 0.11 0.52 -0.49 120.40 121.84 1sqj s VAL 196 Ca 0.08 -0.71 0.11 0.00 -2.93 0.00 0.00 61.98 58.54 1sqj s VAL 196 Cb -0.09 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 1sqj s VAL 196 CO 0.02 0.32 -0.20 0.28 -3.33 0.00 0.00 175.10 172.20 1sqj s THR 197 N -0.41 2.52 0.00 5.04 -1.32 -0.34 -0.07 115.64 121.06 1sqj s THR 197 Ca 0.06 -2.20 0.00 0.00 -1.21 0.00 0.00 61.69 58.34 1sqj s THR 197 Cb -0.06 -2.28 0.00 0.00 -1.51 0.00 0.00 72.50 68.65 1sqj s THR 197 CO -0.00 -0.27 0.42 1.41 -2.21 0.00 0.00 174.62 173.96 1sqj n HIS 198 N -0.26 0.00 -2.20 9.09 8.25 -1.22 -1.73 115.22 127.15 1sqj n HIS 198 Ca -0.08 -0.08 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 1sqj n HIS 198 Cb 0.58 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.74 1sqj n HIS 198 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1sqj n ASP 199 N -0.08 3.18 -0.33 0.41 3.85 -1.01 -4.36 116.55 118.21 1sqj n ASP 199 Ca 0.00 -3.18 -0.04 0.00 -0.71 0.00 0.00 54.79 50.85 1sqj n ASP 199 Cb 0.21 -0.40 -0.02 0.00 -1.35 0.00 0.00 41.12 39.55 1sqj n ASP 199 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sqj n GLY 200 N -0.64 0.69 0.27 6.12 0.00 0.39 -3.47 105.19 108.54 1sqj n GLY 200 Ca 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1sqj n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 201 N -1.96 0.79 0.28 -0.02 0.00 -1.26 -4.97 105.19 98.05 1sqj n GLY 201 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1sqj n GLY 201 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sqj h VAL 202 N 0.00 1.26 -3.96 1.61 2.07 -1.96 -3.44 116.25 111.83 1sqj h VAL 202 Ca 0.00 -1.03 -0.35 0.00 0.82 0.00 0.00 66.70 66.14 1sqj h VAL 202 Cb 0.00 0.82 -0.22 0.00 -1.52 0.00 0.00 31.29 30.37 1sqj h VAL 202 CO 0.00 0.37 -0.76 -0.94 0.02 0.00 0.00 177.57 176.27 1sqj s SER 203 N -6.39 1.26 -0.04 0.57 1.04 -1.26 -4.79 113.70 104.08 1sqj s SER 203 Ca -0.12 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 55.79 1sqj s SER 203 Cb 0.13 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 1sqj s SER 203 CO 0.83 -0.12 -0.16 0.26 0.98 0.00 0.00 173.24 175.03 1sqj s TRP 204 N -1.25 1.59 -0.07 5.02 0.52 -1.26 -4.36 118.94 119.13 1sqj s TRP 204 Ca -0.05 -0.47 0.00 0.00 0.02 0.00 0.00 56.10 55.60 1sqj s TRP 204 Cb -0.10 -1.09 -0.03 0.00 -1.15 0.00 0.00 33.47 31.10 1sqj s TRP 204 CO 0.01 -0.18 -0.05 -1.21 0.02 0.00 0.00 176.95 175.55 1sqj s GLU 205 N 0.14 2.80 0.36 4.98 8.01 0.90 -4.89 118.70 131.01 1sqj s GLU 205 Ca -0.05 -0.52 -0.28 0.00 0.01 0.00 0.00 54.97 54.13 1sqj s GLU 205 Cb -0.12 -2.64 -0.10 0.00 -4.31 0.00 0.00 34.13 26.96 1sqj s GLU 205 CO 0.02 0.67 1.30 -1.25 0.01 0.00 0.00 175.26 176.02 1sqj s PRO 206 N -0.87 4.22 -0.40 0.39 0.04 -1.26 -0.36 135.00 136.77 1sqj s PRO 206 Ca 0.13 2.18 -0.27 0.00 0.04 0.00 0.00 61.00 63.08 1sqj s PRO 206 Cb -0.11 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1sqj s PRO 206 CO 0.02 -0.29 2.13 0.08 0.04 0.00 0.00 177.00 178.98 1sqj s VAL 207 N -1.19 3.17 0.14 -0.36 1.01 -0.80 -4.81 120.40 117.56 1sqj s VAL 207 Ca 0.52 0.15 -0.35 0.00 0.00 0.00 0.00 61.98 62.30 1sqj s VAL 207 Cb -0.39 -3.31 -0.15 0.00 0.00 0.00 0.00 36.38 32.52 1sqj s VAL 207 CO 0.51 -0.25 1.36 0.00 0.00 0.00 0.00 175.10 176.72 1sqj n ALA 208 N 12.93 -0.15 -0.47 5.51 0.00 -1.26 -2.53 120.51 134.53 1sqj n ALA 208 Ca 0.29 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1sqj n ALA 208 Cb 0.50 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1sqj n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqj n GLY 209 N 2.56 0.78 3.73 0.00 0.00 -1.26 -4.91 105.19 106.09 1sqj n GLY 209 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1sqj n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLN 210 N -2.00 1.18 -1.65 1.61 10.64 -1.05 -4.82 117.38 121.29 1sqj n GLN 210 Ca 0.00 0.46 -0.48 0.00 -1.83 0.00 0.00 57.00 55.14 1sqj n GLN 210 Cb 0.00 -2.53 -0.05 0.00 -0.86 0.00 0.00 30.24 26.80 1sqj n GLN 210 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 1sqj n PRO 211 N -1.77 1.79 0.00 2.61 -0.02 -1.26 -4.87 135.00 131.49 1sqj n PRO 211 Ca 0.15 0.65 0.04 0.00 -2.02 0.00 0.00 63.50 62.32 1sqj n PRO 211 Cb 0.48 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1sqj n PRO 211 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sqj n SER 212 N 3.42 1.15 -3.67 2.55 3.41 -1.26 -4.32 113.62 114.90 1sqj n SER 212 Ca 0.18 -1.07 -0.09 0.00 -0.26 0.00 0.00 58.87 57.62 1sqj n SER 212 Cb 0.25 0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.61 1sqj n SER 212 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1sqj s SER 213 N -1.20 0.05 0.20 4.04 1.04 -1.26 -4.69 113.70 111.88 1sqj s SER 213 Ca 0.07 -0.99 -0.30 0.00 0.48 0.00 0.00 55.95 55.21 1sqj s SER 213 Cb 0.07 0.67 -0.08 0.00 0.10 0.00 0.00 66.02 66.78 1sqj s SER 213 CO 0.21 -1.30 0.95 0.26 0.98 0.00 0.00 173.24 174.34 1sqj s TRP 214 N -3.55 3.92 0.45 5.02 0.52 -1.26 -4.52 118.94 119.51 1sqj s TRP 214 Ca 0.20 1.87 -0.25 0.00 0.02 0.00 0.00 56.10 57.94 1sqj s TRP 214 Cb -0.02 -3.02 -0.08 0.00 -1.15 0.00 0.00 33.47 29.20 1sqj s TRP 214 CO 0.11 0.33 1.39 -0.51 0.02 0.00 0.00 176.95 178.29 1sqj s LEU 215 N -0.83 4.12 0.59 2.99 1.43 -1.26 -4.89 118.68 120.82 1sqj s LEU 215 Ca 0.43 2.83 0.36 0.00 -1.03 0.00 0.00 54.13 56.72 1sqj s LEU 215 Cb -0.26 -3.96 1.82 0.00 0.03 0.00 0.00 46.19 43.83 1sqj s LEU 215 CO 0.32 -1.12 2.17 -1.13 0.23 0.00 0.00 176.35 176.82 1sqj h ASN 216 N 2.34 0.00 -0.28 2.29 -1.24 -1.99 -2.21 115.58 114.50 1sqj h ASN 216 Ca -0.51 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.47 1sqj h ASN 216 Cb 1.26 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.30 1sqj h ASN 216 CO 0.61 0.03 0.06 -0.09 -1.29 0.00 0.00 177.43 176.75 1sqj h ARG 217 N 0.00 0.46 0.55 6.67 2.43 -1.97 0.16 114.38 122.68 1sqj h ARG 217 Ca -0.00 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1sqj h ARG 217 Cb 0.25 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1sqj h ARG 217 CO 0.00 0.56 -0.29 1.15 -1.51 0.00 0.00 179.97 179.88 1sqj h THR 218 N 0.29 0.41 -0.02 0.20 2.02 -1.78 -2.99 112.91 111.04 1sqj h THR 218 Ca 0.09 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 67.01 1sqj h THR 218 Cb 0.31 0.41 0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1sqj h THR 218 CO 0.00 0.00 -0.99 0.71 0.37 0.00 0.00 175.52 175.61 1sqj h THR 219 N -0.77 1.28 -0.05 3.16 1.35 -1.53 -3.29 112.91 113.07 1sqj h THR 219 Ca -0.07 -2.20 0.01 0.00 -0.55 0.00 0.00 66.41 63.60 1sqj h THR 219 Cb 0.61 2.35 -0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1sqj h THR 219 CO 0.10 0.68 0.05 1.23 -0.25 0.00 0.00 175.52 177.34 1sqj h GLY 220 N 0.38 0.00 1.72 5.82 0.00 -0.75 -1.89 103.07 108.35 1sqj h GLY 220 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.25 1sqj h GLY 220 CO 0.20 0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.84 1sqj h ALA 221 N 1.94 1.91 -1.39 3.60 0.00 -1.59 -3.33 119.26 120.39 1sqj h ALA 221 Ca 0.02 -0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.53 1sqj h ALA 221 Cb 0.13 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.65 1sqj h ALA 221 CO -0.00 -0.17 -0.80 1.19 0.00 0.00 0.00 179.25 179.47 1sqj n PHE 222 N -4.16 -1.96 0.26 0.00 3.72 -0.72 -5.03 117.46 109.58 1sqj n PHE 222 Ca -0.00 -2.60 0.14 0.00 -0.05 0.00 0.00 57.45 54.94 1sqj n PHE 222 Cb 0.22 0.65 0.71 0.00 -0.94 0.00 0.00 39.48 40.12 1sqj n PHE 222 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1sqj h PRO 223 N 4.61 0.00 0.00 -1.08 0.11 -1.66 -0.65 132.00 133.32 1sqj h PRO 223 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1sqj h PRO 223 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1sqj h PRO 223 CO 0.31 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 177.82 1sqj n ASP 224 N -3.44 0.00 -4.47 -2.05 5.75 -1.26 -4.78 116.55 106.30 1sqj n ASP 224 Ca -0.01 0.04 -0.33 0.00 -0.01 0.00 0.00 54.79 54.47 1sqj n ASP 224 Cb 0.27 -0.33 -0.13 0.00 -1.03 0.00 0.00 41.12 39.91 1sqj n ASP 224 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1sqj s LYS 225 N -2.65 3.36 -0.22 0.11 -0.14 -0.25 -5.10 119.74 114.85 1sqj s LYS 225 Ca 0.21 -0.59 -0.14 0.00 -1.36 0.00 0.00 55.97 54.10 1sqj s LYS 225 Cb 0.17 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.54 1sqj s LYS 225 CO 0.39 0.33 0.30 0.15 -0.76 0.00 0.00 175.35 175.75 1sqj s LYS 226 N 0.10 4.12 0.36 1.68 -0.14 -1.26 -4.95 119.74 119.64 1sqj s LYS 226 Ca -0.03 -0.01 -0.28 0.00 -1.36 0.00 0.00 55.97 54.29 1sqj s LYS 226 Cb -0.14 -3.55 -0.11 0.00 -1.68 0.00 0.00 37.83 32.35 1sqj s LYS 226 CO 0.04 -0.02 1.47 -2.14 -0.76 0.00 0.00 175.35 173.93 1sqj s PRO 227 N 1.26 4.15 0.08 -1.68 0.02 -1.26 -4.91 135.00 132.67 1sqj s PRO 227 Ca 0.14 2.51 0.18 0.00 0.02 0.00 0.00 61.00 63.85 1sqj s PRO 227 Cb -0.14 -2.99 0.76 0.00 0.02 0.00 0.00 34.50 32.14 1sqj s PRO 227 CO 0.07 -0.48 1.56 0.00 -0.33 0.00 0.00 177.00 177.82 1sqj n ALA 228 N 0.71 1.71 -2.47 -1.55 0.00 -1.25 -4.71 120.51 112.95 1sqj n ALA 228 Ca 0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1sqj n ALA 228 Cb 0.39 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 1sqj n ALA 228 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sqj s SER 229 N -3.38 2.89 0.58 0.00 1.04 -1.14 -4.96 113.70 108.73 1sqj s SER 229 Ca 0.07 -0.78 0.33 0.00 0.48 0.00 0.00 55.95 56.05 1sqj s SER 229 Cb 0.10 -0.18 1.77 0.00 0.10 0.00 0.00 66.02 67.81 1sqj s SER 229 CO 0.32 0.06 2.17 0.16 0.98 0.00 0.00 173.24 176.94 1sqj h ILE 230 N 3.63 0.33 -3.43 -1.02 3.07 -1.94 -3.44 117.51 114.71 1sqj h ILE 230 Ca -0.46 -0.30 -0.08 0.00 1.55 0.00 0.00 64.86 65.57 1sqj h ILE 230 Cb 1.19 1.22 -0.15 0.00 -0.27 0.00 0.00 36.82 38.81 1sqj h ILE 230 CO 0.44 0.05 -0.23 0.00 -1.05 0.00 0.00 178.15 177.36 1sqj s ALA 231 N -4.18 -0.65 0.26 0.16 0.00 -1.26 -4.40 121.76 111.69 1sqj s ALA 231 Ca -0.03 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 1sqj s ALA 231 Cb 0.13 0.45 -0.14 0.00 0.00 0.00 0.00 23.12 23.56 1sqj s ALA 231 CO 0.53 -0.49 1.19 -2.30 0.00 0.00 0.00 175.76 174.69 1sqj n PRO 232 N 0.24 1.61 -4.46 0.00 -0.02 -1.26 -4.58 135.00 126.52 1sqj n PRO 232 Ca -0.17 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 1sqj n PRO 232 Cb 0.61 -2.07 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 1sqj n PRO 232 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1sqj s GLN 233 N -1.04 3.60 0.24 -0.52 -0.21 -0.21 -4.25 119.66 117.27 1sqj s GLN 233 Ca 0.64 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 55.16 1sqj s GLN 233 Cb -0.70 -2.86 -0.15 0.00 1.00 0.00 0.00 33.01 30.30 1sqj s GLN 233 CO 0.56 0.22 1.08 -2.30 -2.12 0.00 0.00 175.29 172.73 1sqj n PRO 234 N 3.58 1.29 0.00 2.91 -0.02 -1.26 -1.77 135.00 139.73 1sqj n PRO 234 Ca -0.18 0.45 -0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1sqj n PRO 234 Cb 0.52 -1.88 -0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1sqj n PRO 234 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1sqj n MET 235 N 1.21 0.02 -4.35 -0.52 2.81 0.17 -4.06 117.12 112.41 1sqj n MET 235 Ca 0.12 0.01 -0.22 0.00 -1.81 0.00 0.00 57.70 55.80 1sqj n MET 235 Cb 0.29 -0.22 -0.11 0.00 -0.71 0.00 0.00 33.22 32.47 1sqj n MET 235 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1sqj s LYS 236 N -1.23 1.34 -0.00 0.03 1.02 -1.21 -4.46 119.74 115.22 1sqj s LYS 236 Ca -0.01 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 54.52 1sqj s LYS 236 Cb 0.00 -1.36 -0.01 0.00 -0.52 0.00 0.00 37.83 35.95 1sqj s LYS 236 CO 0.02 0.27 -0.10 0.08 -0.92 0.00 0.00 175.35 174.70 1sqj s VAL 237 N -2.26 0.76 0.01 3.17 1.01 -1.26 -1.48 120.40 120.35 1sqj s VAL 237 Ca 0.19 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1sqj s VAL 237 Cb -0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1sqj s VAL 237 CO 0.08 0.19 -0.11 0.00 0.00 0.00 0.00 175.10 175.26 1sqj s ALA 238 N -0.28 0.90 0.00 5.51 0.00 0.13 -4.99 121.76 123.05 1sqj s ALA 238 Ca 0.03 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.49 1sqj s ALA 238 Cb -0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1sqj s ALA 238 CO -0.00 0.19 -0.22 -1.17 0.00 0.00 0.00 175.76 174.55 1sqj s LEU 239 N -0.64 2.31 0.06 0.00 2.96 -1.26 -1.55 118.68 120.57 1sqj s LEU 239 Ca 0.02 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.41 1sqj s LEU 239 Cb -0.06 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 1sqj s LEU 239 CO 0.00 0.30 0.15 -0.89 -1.32 0.00 0.00 176.35 174.59 1sqj s THR 240 N -0.75 0.14 0.41 3.68 2.01 -0.74 -5.04 115.64 115.35 1sqj s THR 240 Ca 0.12 -1.12 0.19 0.00 0.31 0.00 0.00 61.69 61.18 1sqj s THR 240 Cb -0.10 -1.12 0.40 0.00 0.01 0.00 0.00 72.50 71.69 1sqj s THR 240 CO 0.01 -0.62 1.80 -0.65 -0.69 0.00 0.00 174.62 174.47 1sqj h PRO 241 N 3.22 0.37 0.00 4.92 0.11 -2.00 -3.18 132.00 135.45 1sqj h PRO 241 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1sqj h PRO 241 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1sqj h PRO 241 CO 0.53 0.24 0.00 -1.71 -0.21 0.00 0.00 178.00 176.86 1sqj n ASN 242 N -4.56 0.55 -4.28 -2.05 4.05 -1.26 -4.93 115.26 102.78 1sqj n ASN 242 Ca 0.23 -0.96 -0.27 0.00 0.45 0.00 0.00 54.58 54.03 1sqj n ASN 242 Cb 0.84 0.04 -0.15 0.00 1.23 0.00 0.00 39.78 41.74 1sqj n ASN 242 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1sqj s PHE 243 N -0.04 2.00 -0.18 1.20 0.08 -1.20 -0.15 117.98 119.69 1sqj s PHE 243 Ca 0.00 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.58 1sqj s PHE 243 Cb 0.00 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1sqj s PHE 243 CO 0.00 0.08 0.08 -0.51 -0.10 0.00 0.00 175.22 174.77 1sqj s LEU 244 N -1.08 3.91 -0.05 -0.37 1.43 0.34 -1.79 118.68 121.06 1sqj s LEU 244 Ca 0.09 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1sqj s LEU 244 Cb -0.09 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1sqj s LEU 244 CO 0.01 0.18 -0.17 -0.31 0.23 0.00 0.00 176.35 176.30 1sqj s TYR 245 N 0.32 2.63 -0.02 0.29 2.02 -0.59 0.46 117.35 122.45 1sqj s TYR 245 Ca 0.04 -0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1sqj s TYR 245 Cb -0.12 -1.63 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1sqj s TYR 245 CO -0.00 0.07 0.04 0.08 -1.57 0.00 0.00 175.55 174.17 1sqj s VAL 246 N -0.55 -0.05 -0.00 0.71 1.01 -0.44 -0.69 120.40 120.38 1sqj s VAL 246 Ca 0.08 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1sqj s VAL 246 Cb -0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 1sqj s VAL 246 CO 0.01 0.07 0.29 0.42 0.00 0.00 0.00 175.10 175.89 1sqj s THR 247 N 0.89 5.27 0.10 3.92 -4.23 -0.55 -1.60 115.64 119.44 1sqj s THR 247 Ca -0.07 0.31 0.08 0.00 -1.18 0.00 0.00 61.69 60.82 1sqj s THR 247 Cb -0.11 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 1sqj s THR 247 CO -0.03 0.43 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.97 1sqj s TYR 248 N -1.24 1.67 0.27 3.99 2.02 0.63 0.42 117.35 125.11 1sqj s TYR 248 Ca 0.26 -0.43 -0.13 0.00 -0.37 0.00 0.00 57.07 56.40 1sqj s TYR 248 Cb -0.14 -0.91 0.00 0.00 -0.40 0.00 0.00 41.96 40.51 1sqj s TYR 248 CO 0.14 0.18 0.53 0.00 -1.57 0.00 0.00 175.55 174.83 1sqj s ALA 249 N -1.22 -0.27 -1.36 3.71 0.00 -0.73 -1.89 121.76 120.00 1sqj s ALA 249 Ca 0.05 -0.88 0.19 0.00 0.00 0.00 0.00 51.96 51.32 1sqj s ALA 249 Cb -0.10 1.02 0.69 0.00 0.00 0.00 0.00 23.12 24.74 1sqj s ALA 249 CO 0.04 -0.88 1.60 -0.40 0.00 0.00 0.00 175.76 176.12 1sqj n ASP 250 N -0.60 4.50 -3.61 0.00 5.75 -0.88 -1.05 116.55 120.67 1sqj n ASP 250 Ca -0.02 -2.32 -0.09 0.00 -0.01 0.00 0.00 54.79 52.35 1sqj n ASP 250 Cb 0.61 -0.55 -0.06 0.00 -1.03 0.00 0.00 41.12 40.10 1sqj n ASP 250 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1sqj s TYR 251 N -1.60 -0.39 0.48 2.11 5.04 -1.26 -2.87 117.35 118.86 1sqj s TYR 251 Ca 0.50 0.81 0.24 0.00 -2.44 0.00 0.00 57.07 56.19 1sqj s TYR 251 Cb 0.30 0.42 1.45 0.00 0.35 0.00 0.00 41.96 44.48 1sqj s TYR 251 CO 0.27 -0.27 2.11 -1.35 -1.34 0.00 0.00 175.55 174.97 1sqj h PRO 252 N 3.27 0.00 0.00 4.97 0.11 -1.92 -3.45 132.00 134.98 1sqj h PRO 252 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1sqj h PRO 252 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sqj h PRO 252 CO 0.22 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.51 1sqj n GLY 253 N -1.00 -2.51 0.21 -0.55 0.00 -1.26 -4.09 105.19 95.99 1sqj n GLY 253 Ca -0.02 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.51 1sqj n GLY 253 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqj h PRO 254 N 0.00 0.00 -5.56 1.61 0.13 -1.92 0.18 132.00 126.44 1sqj h PRO 254 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 1sqj h PRO 254 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 1sqj h PRO 254 CO 0.00 0.00 -0.59 1.67 -0.23 0.00 0.00 178.00 178.85 1sqj s TRP 255 N -3.38 2.38 0.00 1.56 1.48 -1.26 -4.69 118.94 115.03 1sqj s TRP 255 Ca 0.05 -0.74 0.00 0.00 -1.06 0.00 0.00 56.10 54.35 1sqj s TRP 255 Cb 0.08 -1.70 0.00 0.00 -1.16 0.00 0.00 33.47 30.69 1sqj s TRP 255 CO 0.57 0.37 0.00 0.41 -4.06 0.00 0.00 176.95 174.24 1sqj n GLY 256 N -0.97 1.19 3.74 3.67 0.00 -1.26 -4.88 105.19 106.67 1sqj n GLY 256 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1sqj n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqj s VAL 257 N -3.24 4.28 0.00 1.61 1.01 -1.26 -4.87 120.40 117.92 1sqj s VAL 257 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1sqj s VAL 257 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1sqj s VAL 257 CO 0.00 0.38 0.00 0.35 0.00 0.00 0.00 175.10 175.83 1sqj n THR 258 N 2.28 0.00 -4.14 3.92 -2.24 -1.26 -4.51 114.28 108.32 1sqj n THR 258 Ca 0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1sqj n THR 258 Cb 0.48 0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 1sqj n THR 258 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1sqj s PHE 259 N -1.38 0.77 0.00 4.78 0.40 -1.22 -2.46 117.98 118.86 1sqj s PHE 259 Ca 0.00 -1.01 0.00 0.00 -0.60 0.00 0.00 56.93 55.32 1sqj s PHE 259 Cb 0.00 -0.48 0.00 0.00 0.51 0.00 0.00 43.02 43.05 1sqj s PHE 259 CO 0.00 -0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.05 1sqj n GLY 260 N -0.00 0.84 3.39 4.36 0.00 -1.19 -2.06 105.19 110.53 1sqj n GLY 260 Ca -0.12 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 1sqj n GLY 260 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sqj s GLU 261 N -2.00 1.23 -0.02 1.61 2.02 -1.14 -4.82 118.70 115.56 1sqj s GLU 261 Ca 0.00 -1.13 0.03 0.00 0.02 0.00 0.00 54.97 53.89 1sqj s GLU 261 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.64 1sqj s GLU 261 CO 0.00 -0.47 -0.10 0.14 0.02 0.00 0.00 175.26 174.85 1sqj s VAL 262 N -3.96 0.86 0.13 2.63 -7.23 -1.26 -0.27 120.40 111.30 1sqj s VAL 262 Ca 0.16 -0.41 0.07 0.00 -1.81 0.00 0.00 61.98 59.98 1sqj s VAL 262 Cb 0.02 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1sqj s VAL 262 CO 0.00 0.26 -0.15 0.26 -0.31 0.00 0.00 175.10 175.16 1sqj s TRP 263 N 0.08 1.50 -0.09 2.82 0.52 -0.63 -0.87 118.94 122.27 1sqj s TRP 263 Ca -0.02 -0.53 0.01 0.00 0.02 0.00 0.00 56.10 55.58 1sqj s TRP 263 Cb -0.08 -0.78 0.02 0.00 -1.15 0.00 0.00 33.47 31.48 1sqj s TRP 263 CO 0.00 0.19 -0.11 0.50 0.02 0.00 0.00 176.95 177.55 1sqj s ARG 264 N -2.67 1.75 -0.12 4.98 3.52 -0.11 -1.33 118.95 124.96 1sqj s ARG 264 Ca 0.10 -0.39 -0.05 0.00 -0.13 0.00 0.00 55.73 55.26 1sqj s ARG 264 Cb -0.05 -1.58 -0.04 0.00 -1.56 0.00 0.00 34.95 31.72 1sqj s ARG 264 CO 0.04 -0.10 0.08 -1.14 -0.81 0.00 0.00 175.30 173.36 1sqj s GLN 265 N 1.12 3.40 -0.38 5.12 0.74 0.17 -0.64 119.66 129.20 1sqj s GLN 265 Ca -0.05 -0.26 -0.28 0.00 0.05 0.00 0.00 55.36 54.82 1sqj s GLN 265 Cb -0.14 -3.07 0.02 0.00 1.10 0.00 0.00 33.01 30.92 1sqj s GLN 265 CO -0.02 0.66 1.02 1.21 -0.55 0.00 0.00 175.29 177.61 1sqj s ASN 266 N -0.71 6.76 0.56 6.67 3.84 -0.54 -0.51 114.94 131.01 1sqj s ASN 266 Ca 0.12 0.72 0.37 0.00 0.21 0.00 0.00 52.86 54.28 1sqj s ASN 266 Cb -0.12 -2.51 1.82 0.00 -0.55 0.00 0.00 41.25 39.89 1sqj s ASN 266 CO 0.03 -0.95 2.11 0.03 -2.79 0.00 0.00 177.10 175.52 1sqj h ARG 267 N 8.51 0.00 0.00 0.43 3.08 -0.88 0.29 114.38 125.82 1sqj h ARG 267 Ca -0.22 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 1sqj h ARG 267 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1sqj h ARG 267 CO 1.03 0.00 -0.65 1.15 -1.07 0.00 0.00 179.97 180.44 1sqj h THR 268 N 0.00 0.46 0.00 2.04 2.02 -1.93 -3.39 112.91 112.12 1sqj h THR 268 Ca 0.00 -1.51 -0.11 0.00 0.77 0.00 0.00 66.41 65.56 1sqj h THR 268 Cb 0.21 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1sqj h THR 268 CO 0.00 0.16 -0.52 0.77 0.37 0.00 0.00 175.52 176.29 1sqj h SER 269 N -1.00 0.00 0.00 4.18 4.64 -1.95 -3.47 113.55 115.95 1sqj h SER 269 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1sqj h SER 269 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1sqj h SER 269 CO -0.07 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 1sqj n GLY 270 N 1.09 1.01 3.78 -0.77 0.00 0.10 -5.02 105.19 105.37 1sqj n GLY 270 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1sqj n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj s ALA 271 N -4.00 3.15 0.10 4.61 0.00 -1.25 -4.76 121.76 119.62 1sqj s ALA 271 Ca 0.00 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.71 1sqj s ALA 271 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1sqj s ALA 271 CO 0.00 -0.14 -0.00 -1.58 0.00 0.00 0.00 175.76 174.04 1sqj s TRP 272 N -1.58 2.97 -0.06 0.00 0.52 -1.26 -1.47 118.94 118.05 1sqj s TRP 272 Ca 0.55 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.65 1sqj s TRP 272 Cb -0.23 -1.52 0.01 0.00 -1.15 0.00 0.00 33.47 30.59 1sqj s TRP 272 CO 0.29 0.48 -0.11 -0.51 0.02 0.00 0.00 176.95 177.12 1sqj s ASP 273 N -2.37 1.64 -0.45 2.95 1.01 0.19 -4.99 116.67 114.65 1sqj s ASP 273 Ca 0.26 -0.27 -0.28 0.00 0.71 0.00 0.00 52.55 52.96 1sqj s ASP 273 Cb -0.11 -0.76 0.00 0.00 1.01 0.00 0.00 42.92 43.06 1sqj s ASP 273 CO 0.18 0.02 1.56 -0.62 0.21 0.00 0.00 175.17 176.53 1sqj s ASP 274 N 0.68 6.06 -0.06 0.27 2.15 -1.26 -0.93 116.67 123.58 1sqj s ASP 274 Ca -0.14 0.77 0.14 0.00 0.43 0.00 0.00 52.55 53.75 1sqj s ASP 274 Cb -0.15 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.38 1sqj s ASP 274 CO 0.03 -1.67 1.37 2.30 -0.17 0.00 0.00 175.17 177.03 1sqj n ILE 275 N 7.13 1.41 -1.67 4.11 -5.35 -0.05 -4.98 119.36 119.95 1sqj n ILE 275 Ca 0.18 -1.22 -0.53 0.00 -0.27 0.00 0.00 62.75 60.90 1sqj n ILE 275 Cb 0.48 0.28 -0.06 0.00 -1.74 0.00 0.00 39.64 38.60 1sqj n ILE 275 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1sqj n THR 276 N 0.48 0.26 -1.67 7.28 -1.04 -0.72 -4.85 114.28 114.02 1sqj n THR 276 Ca 0.17 -0.05 -0.48 0.00 -2.04 0.00 0.00 64.05 61.65 1sqj n THR 276 Cb 0.61 -1.30 -0.05 0.00 -1.82 0.00 0.00 70.33 67.78 1sqj n THR 276 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1sqj n PRO 277 N 4.78 2.08 -3.81 -2.82 -0.02 -1.26 -4.92 135.00 129.03 1sqj n PRO 277 Ca 0.23 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 62.37 1sqj n PRO 277 Cb 0.19 -2.55 0.03 0.00 -0.02 0.00 0.00 33.50 31.15 1sqj n PRO 277 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1sqj s ARG 278 N 2.50 2.28 0.14 -0.52 1.70 -1.26 -5.05 118.95 118.73 1sqj s ARG 278 Ca 0.86 -1.50 -0.31 0.00 -0.47 0.00 0.00 55.73 54.31 1sqj s ARG 278 Cb -0.71 0.62 -0.09 0.00 -0.57 0.00 0.00 34.95 34.20 1sqj s ARG 278 CO 0.46 -1.07 1.58 0.08 -1.08 0.00 0.00 175.30 175.28 1sqj s VAL 279 N -2.15 2.76 0.00 4.99 1.01 -1.26 -2.80 120.40 122.96 1sqj s VAL 279 Ca 0.16 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1sqj s VAL 279 Cb -0.05 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1sqj s VAL 279 CO 0.12 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1sqj n GLY 280 N 3.81 2.67 0.03 4.51 0.00 -1.26 -4.89 105.19 110.06 1sqj n GLY 280 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1sqj n GLY 280 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sqj n ASN 281 N 0.00 1.68 -3.97 1.61 6.94 -1.12 -5.06 115.26 115.34 1sqj n ASN 281 Ca 0.00 -2.01 -0.09 0.00 -0.02 0.00 0.00 54.58 52.46 1sqj n ASN 281 Cb 0.00 -0.07 -0.11 0.00 -2.36 0.00 0.00 39.78 37.24 1sqj n ASN 281 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1sqj s SER 282 N -1.13 0.22 -0.01 0.53 1.04 -1.19 -0.39 113.70 112.78 1sqj s SER 282 Ca 0.05 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 1sqj s SER 282 Cb 0.04 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.27 1sqj s SER 282 CO 0.00 -0.29 0.03 -0.55 0.98 0.00 0.00 173.24 173.42 1sqj s SER 283 N -1.40 -0.02 1.00 7.02 0.15 -0.47 -3.76 113.70 116.22 1sqj s SER 283 Ca -0.15 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.44 1sqj s SER 283 Cb -0.10 0.04 0.19 0.00 -1.71 0.00 0.00 66.02 64.45 1sqj s SER 283 CO -0.01 -0.03 1.08 -2.84 1.20 0.00 0.00 173.24 172.64 1sqj s PRO 284 N 0.23 0.38 0.76 5.44 0.02 -1.26 -0.61 135.00 139.97 1sqj s PRO 284 Ca -0.02 0.99 -0.12 0.00 0.02 0.00 0.00 61.00 61.87 1sqj s PRO 284 Cb -0.03 -1.69 0.05 0.00 0.02 0.00 0.00 34.50 32.85 1sqj s PRO 284 CO -0.01 -2.89 1.11 0.00 -0.33 0.00 0.00 177.00 174.88 1sqj s ALA 285 N -2.70 2.21 0.44 -1.55 0.00 -1.25 -4.66 121.76 114.26 1sqj s ALA 285 Ca 0.66 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.78 1sqj s ALA 285 Cb -0.22 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 1sqj s ALA 285 CO 0.60 -1.77 1.24 -2.30 0.00 0.00 0.00 175.76 173.53 1sqj n PRO 286 N -3.30 1.81 -1.61 0.00 -0.02 -1.26 -4.89 135.00 125.73 1sqj n PRO 286 Ca 0.10 0.65 -0.51 0.00 -2.02 0.00 0.00 63.50 61.72 1sqj n PRO 286 Cb 0.52 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1sqj n PRO 286 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1sqj n TYR 287 N -0.38 1.73 -2.78 6.00 9.36 -1.26 -4.92 117.16 124.92 1sqj n TYR 287 Ca 0.07 0.54 -0.40 0.00 3.32 0.00 0.00 57.90 61.43 1sqj n TYR 287 Cb 0.40 -2.39 -0.06 0.00 -0.63 0.00 0.00 39.34 36.66 1sqj n TYR 287 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1sqj s ASN 288 N 0.70 7.59 -0.83 2.98 2.47 -1.26 -3.94 114.94 122.65 1sqj s ASN 288 Ca 0.83 1.89 -0.01 0.00 0.42 0.00 0.00 52.86 55.99 1sqj s ASN 288 Cb -0.89 -2.59 -0.01 0.00 -1.45 0.00 0.00 41.25 36.31 1sqj s ASN 288 CO 0.45 0.14 0.70 -3.20 -3.72 0.00 0.00 177.10 171.47 1sqj n ASN 289 N 1.69 -2.70 -4.56 -4.21 5.15 -1.26 -4.97 115.26 104.39 1sqj n ASN 289 Ca -0.02 -0.46 -0.53 0.00 -0.60 0.00 0.00 54.58 52.98 1sqj n ASN 289 Cb 0.48 -3.82 -0.06 0.00 -0.53 0.00 0.00 39.78 35.85 1sqj n ASN 289 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1sqj n GLN 290 N -3.13 0.83 -2.65 1.20 -0.06 -1.25 -4.94 117.38 107.38 1sqj n GLN 290 Ca -0.17 0.30 -0.39 0.00 -2.00 0.00 0.00 57.00 54.74 1sqj n GLN 290 Cb 0.61 -1.85 -0.05 0.00 -4.06 0.00 0.00 30.24 24.89 1sqj n GLN 290 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1sqj s THR 291 N 0.16 3.89 0.36 1.69 -4.23 -1.09 -4.93 115.64 111.49 1sqj s THR 291 Ca 0.83 1.71 -0.28 0.00 -1.18 0.00 0.00 61.69 62.77 1sqj s THR 291 Cb -1.01 -4.02 -0.10 0.00 1.34 0.00 0.00 72.50 68.72 1sqj s THR 291 CO 0.51 0.27 1.34 0.12 -0.54 0.00 0.00 174.62 176.32 1sqj s PHE 292 N -1.39 2.88 0.23 3.99 2.19 -1.26 -3.89 117.98 120.74 1sqj s PHE 292 Ca 0.48 1.37 -0.13 0.00 0.33 0.00 0.00 56.93 58.97 1sqj s PHE 292 Cb -0.25 -3.74 -0.08 0.00 -1.31 0.00 0.00 43.02 37.64 1sqj s PHE 292 CO 0.31 -2.15 0.60 -1.25 1.83 0.00 0.00 175.22 174.56 1sqj s PRO 293 N -2.00 3.93 0.37 10.12 0.04 -1.26 -4.70 135.00 141.50 1sqj s PRO 293 Ca 0.52 0.47 0.27 0.00 0.04 0.00 0.00 61.00 62.30 1sqj s PRO 293 Cb -0.41 -2.70 1.26 0.00 0.04 0.00 0.00 34.50 32.69 1sqj s PRO 293 CO 0.54 0.33 1.81 0.00 0.04 0.00 0.00 177.00 179.72 1sqj h ALA 294 N 2.84 1.00 -0.21 8.56 0.00 -1.72 -3.31 119.26 126.43 1sqj h ALA 294 Ca -0.48 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1sqj h ALA 294 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1sqj h ALA 294 CO 0.67 0.00 -0.01 0.41 0.00 0.00 0.00 179.25 180.32 1sqj n GLY 295 N -0.48 -2.03 0.00 0.00 0.00 -1.03 -4.20 105.19 97.44 1sqj n GLY 295 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1sqj n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 296 N -0.18 4.50 3.16 -0.02 0.00 -0.55 -3.16 105.19 108.95 1sqj n GLY 296 Ca 0.00 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 1sqj n GLY 296 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqj s PHE 297 N 2.05 1.00 0.13 1.61 0.40 -0.79 -0.90 117.98 121.47 1sqj s PHE 297 Ca 0.00 -0.67 0.00 0.00 -0.60 0.00 0.00 56.93 55.66 1sqj s PHE 297 Cb 0.00 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.97 1sqj s PHE 297 CO 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 175.22 175.89 1sqj n GLY 299 N -0.36 0.13 3.36 0.00 0.00 -1.24 -4.25 105.19 102.83 1sqj n GLY 299 Ca 0.00 0.73 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 1sqj n GLY 299 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqj s LEU 300 N 0.32 -0.18 -0.19 0.99 2.96 -1.26 -1.47 118.68 119.85 1sqj s LEU 300 Ca 0.88 1.02 -0.12 0.00 -0.22 0.00 0.00 54.13 55.69 1sqj s LEU 300 Cb -1.10 1.60 0.06 0.00 0.50 0.00 0.00 46.19 47.24 1sqj s LEU 300 CO 0.52 -0.20 0.46 -0.55 -1.32 0.00 0.00 176.35 175.27 1sqj s SER 301 N 1.18 -0.57 -0.13 3.68 0.15 -0.70 -4.76 113.70 112.55 1sqj s SER 301 Ca -0.07 0.99 -0.06 0.00 0.70 0.00 0.00 55.95 57.51 1sqj s SER 301 Cb -0.07 0.90 -0.04 0.00 -1.71 0.00 0.00 66.02 65.11 1sqj s SER 301 CO -0.11 -0.19 0.07 -0.69 1.20 0.00 0.00 173.24 173.52 1sqj s VAL 302 N 1.13 4.87 -0.11 4.45 1.01 -1.26 -1.42 120.40 129.06 1sqj s VAL 302 Ca -0.07 -0.02 -0.32 0.00 0.00 0.00 0.00 61.98 61.57 1sqj s VAL 302 Cb -0.07 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 1sqj s VAL 302 CO -0.10 0.55 2.03 -0.67 0.00 0.00 0.00 175.10 176.91 1sqj n ASP 303 N 2.64 3.47 0.11 3.32 -0.08 0.01 -4.80 116.55 121.21 1sqj n ASP 303 Ca -0.18 0.71 0.09 0.00 -1.51 0.00 0.00 54.79 53.90 1sqj n ASP 303 Cb 0.53 -1.45 0.44 0.00 2.34 0.00 0.00 41.12 42.98 1sqj n ASP 303 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sqj n ALA 304 N 8.46 1.26 0.64 -1.67 0.00 -1.26 -1.77 120.51 126.17 1sqj n ALA 304 Ca 0.26 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.88 1sqj n ALA 304 Cb 0.36 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.54 1sqj n ALA 304 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1sqj n THR 305 N -2.06 0.00 -3.18 0.00 -2.24 -1.26 -4.84 114.28 100.71 1sqj n THR 305 Ca 0.00 -0.38 0.02 0.00 -2.27 0.00 0.00 64.05 61.42 1sqj n THR 305 Cb 0.09 1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 69.51 1sqj n THR 305 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sqj s ASN 306 N -1.66 -1.29 0.17 3.42 3.84 -0.73 -5.02 114.94 113.67 1sqj s ASN 306 Ca 0.13 0.09 0.13 0.00 0.21 0.00 0.00 52.86 53.42 1sqj s ASN 306 Cb 0.12 1.88 0.66 0.00 -0.55 0.00 0.00 41.25 43.36 1sqj s ASN 306 CO 0.33 -0.31 1.40 -2.65 -2.79 0.00 0.00 177.10 173.08 1sqj n PRO 307 N 5.41 0.08 0.00 0.43 -0.02 -1.25 -1.91 135.00 137.74 1sqj n PRO 307 Ca 0.04 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 1sqj n PRO 307 Cb 0.53 -1.74 0.15 0.00 -0.02 0.00 0.00 33.50 32.43 1sqj n PRO 307 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sqj n ASN 308 N -1.90 0.99 -4.46 2.55 3.02 -1.26 -4.82 115.26 109.37 1sqj n ASN 308 Ca -0.00 -0.79 -0.36 0.00 -0.03 0.00 0.00 54.58 53.41 1sqj n ASN 308 Cb 0.05 0.44 -0.12 0.00 -0.61 0.00 0.00 39.78 39.54 1sqj n ASN 308 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1sqj s ARG 309 N -2.80 3.65 0.12 3.52 3.52 -0.80 -0.03 118.95 126.13 1sqj s ARG 309 Ca 0.15 -0.49 -0.19 0.00 -0.13 0.00 0.00 55.73 55.07 1sqj s ARG 309 Cb 0.18 -3.19 0.05 0.00 -1.56 0.00 0.00 34.95 30.42 1sqj s ARG 309 CO 0.68 -0.06 0.47 -0.48 -0.81 0.00 0.00 175.30 175.10 1sqj s LEU 310 N 1.23 0.07 0.01 -0.88 2.34 -0.57 -0.81 118.68 120.07 1sqj s LEU 310 Ca 0.04 -0.14 0.07 0.00 0.06 0.00 0.00 54.13 54.15 1sqj s LEU 310 Cb -0.15 2.08 -0.03 0.00 -0.56 0.00 0.00 46.19 47.54 1sqj s LEU 310 CO 0.02 -0.85 -0.20 0.68 -1.06 0.00 0.00 176.35 174.94 1sqj s VAL 311 N -3.51 2.64 0.11 1.48 -7.23 -0.51 -0.75 120.40 112.63 1sqj s VAL 311 Ca 0.01 -1.07 0.05 0.00 -1.81 0.00 0.00 61.98 59.16 1sqj s VAL 311 Cb 0.01 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1sqj s VAL 311 CO -0.10 0.45 -0.14 0.68 -0.31 0.00 0.00 175.10 175.69 1sqj s VAL 312 N -0.80 1.24 0.00 1.32 -7.23 -0.76 -1.72 120.40 112.46 1sqj s VAL 312 Ca 0.13 -1.64 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1sqj s VAL 312 Cb -0.10 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 1sqj s VAL 312 CO 0.02 -0.40 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.74 1sqj s ILE 313 N -2.03 0.34 0.70 -0.62 1.01 -0.54 -0.61 121.20 119.45 1sqj s ILE 313 Ca 0.07 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 1sqj s ILE 313 Cb -0.05 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.11 1sqj s ILE 313 CO 0.02 0.02 1.06 0.42 0.00 0.00 0.00 174.94 176.47 1sqj s THR 314 N -0.28 3.98 -0.06 2.92 -4.23 -0.72 -1.66 115.64 115.59 1sqj s THR 314 Ca -0.00 0.64 0.02 0.00 -1.18 0.00 0.00 61.69 61.17 1sqj s THR 314 Cb -0.03 -3.37 0.01 0.00 1.34 0.00 0.00 72.50 70.46 1sqj s THR 314 CO -0.00 -0.84 -0.11 -0.22 -0.54 0.00 0.00 174.62 172.91 1sqj s LEU 315 N -5.57 1.60 -1.48 4.79 2.96 -0.07 -4.64 118.68 116.27 1sqj s LEU 315 Ca 0.58 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 1sqj s LEU 315 Cb -0.14 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1sqj s LEU 315 CO 0.55 0.02 0.00 0.47 -1.32 0.00 0.00 176.35 176.07 1sqj n ASP 316 N 3.87 -4.85 -4.57 3.68 8.00 -1.26 -1.49 116.55 119.94 1sqj n ASP 316 Ca -0.23 0.10 -0.36 0.00 0.71 0.00 0.00 54.79 55.01 1sqj n ASP 316 Cb 0.52 -3.91 -0.03 0.00 -0.02 0.00 0.00 41.12 37.67 1sqj n ASP 316 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1sqj s ARG 317 N -4.39 3.30 -0.29 -1.24 3.52 -1.26 -4.06 118.95 114.54 1sqj s ARG 317 Ca 0.00 -1.17 -0.19 0.00 -0.13 0.00 0.00 55.73 54.25 1sqj s ARG 317 Cb 0.00 -5.32 0.14 0.00 -1.56 0.00 0.00 34.95 28.21 1sqj s ARG 317 CO 0.00 -2.74 1.00 0.34 -0.81 0.00 0.00 175.30 173.09 1sqj s ASP 318 N 5.68 -0.48 0.00 -2.12 3.68 -1.25 -2.89 116.67 119.29 1sqj s ASP 318 Ca 0.57 0.82 0.28 0.00 2.13 0.00 0.00 52.55 56.34 1sqj s ASP 318 Cb -0.01 1.08 1.41 0.00 -1.45 0.00 0.00 42.92 43.96 1sqj s ASP 318 CO -0.00 -0.13 1.94 -0.81 0.13 0.00 0.00 175.17 176.29 1sqj n PRO 319 N 3.22 1.28 0.00 4.34 -0.04 -1.26 -4.35 135.00 138.18 1sqj n PRO 319 Ca -0.17 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1sqj n PRO 319 Cb 0.57 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1sqj n PRO 319 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sqj n GLY 320 N 1.04 -1.51 3.31 0.55 0.00 -1.26 -4.84 105.19 102.47 1sqj n GLY 320 Ca 0.20 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 1sqj n GLY 320 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sqj n PRO 321 N -0.93 -2.84 0.00 1.61 -0.04 -1.26 -4.77 135.00 126.76 1sqj n PRO 321 Ca 0.00 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 1sqj n PRO 321 Cb 0.00 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1sqj n PRO 321 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sqj n ALA 322 N -5.01 -0.89 -1.54 0.55 0.00 -1.21 -2.67 120.51 109.73 1sqj n ALA 322 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1sqj n ALA 322 Cb 0.56 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.12 1sqj n ALA 322 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sqj n LEU 323 N 0.57 0.00 -4.68 0.00 4.77 -0.47 -4.59 117.00 112.60 1sqj n LEU 323 Ca 0.00 -0.85 -0.39 0.00 -0.03 0.00 0.00 56.01 54.74 1sqj n LEU 323 Cb 0.00 -0.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.54 1sqj n LEU 323 CO 0.00 -1.05 0.77 0.47 -1.33 0.00 0.00 177.39 176.25 1sqj n ASP 324 N -3.49 1.85 -4.35 -1.43 10.43 -1.14 -4.93 116.55 113.49 1sqj n ASP 324 Ca 0.10 0.95 -0.28 0.00 2.57 0.00 0.00 54.79 58.13 1sqj n ASP 324 Cb 0.33 -1.47 -0.14 0.00 1.84 0.00 0.00 41.12 41.69 1sqj n ASP 324 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1sqj s SER 325 N -0.93 3.09 -0.19 -2.24 0.01 -1.26 -4.93 113.70 107.25 1sqj s SER 325 Ca 0.70 -0.67 -0.10 0.00 1.31 0.00 0.00 55.95 57.19 1sqj s SER 325 Cb -0.45 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.50 1sqj s SER 325 CO 0.51 0.19 0.15 -0.63 0.41 0.00 0.00 173.24 173.86 1sqj s ILE 326 N -0.96 5.41 0.01 1.44 1.01 -1.26 -1.75 121.20 125.09 1sqj s ILE 326 Ca 0.12 0.22 0.07 0.00 0.00 0.00 0.00 60.65 61.06 1sqj s ILE 326 Cb -0.10 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 1sqj s ILE 326 CO 0.04 0.45 -0.21 -0.31 0.00 0.00 0.00 174.94 174.91 1sqj s TYR 327 N 0.25 2.49 -0.06 3.97 2.02 0.22 -0.66 117.35 125.57 1sqj s TYR 327 Ca 0.09 -0.31 0.06 0.00 -0.37 0.00 0.00 57.07 56.54 1sqj s TYR 327 Cb -0.11 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 1sqj s TYR 327 CO -0.01 0.15 -0.24 -1.17 -1.57 0.00 0.00 175.55 172.71 1sqj s LEU 328 N -1.07 2.06 0.06 -1.29 2.96 0.17 -1.82 118.68 119.75 1sqj s LEU 328 Ca 0.12 -0.50 0.10 0.00 -0.22 0.00 0.00 54.13 53.63 1sqj s LEU 328 Cb -0.10 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 1sqj s LEU 328 CO 0.02 0.23 -0.26 -0.55 -1.32 0.00 0.00 176.35 174.47 1sqj s SER 329 N -0.08 3.24 0.00 3.68 0.15 0.07 -0.20 113.70 120.57 1sqj s SER 329 Ca -0.05 -0.61 0.07 0.00 0.70 0.00 0.00 55.95 56.05 1sqj s SER 329 Cb -0.14 -0.30 0.08 0.00 -1.71 0.00 0.00 66.02 63.95 1sqj s SER 329 CO 0.04 0.24 0.80 0.35 1.20 0.00 0.00 173.24 175.88 1sqj n THR 330 N 1.58 0.17 -1.90 6.45 -2.24 -1.25 -1.50 114.28 115.58 1sqj n THR 330 Ca -0.17 -0.58 -0.21 0.00 -2.27 0.00 0.00 64.05 60.81 1sqj n THR 330 Cb 0.52 1.04 0.05 0.00 -2.10 0.00 0.00 70.33 69.84 1sqj n THR 330 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sqj n ASP 331 N 0.37 4.78 -2.78 3.42 3.85 -1.14 -4.39 116.55 120.66 1sqj n ASP 331 Ca 0.05 -3.77 -0.21 0.00 -0.71 0.00 0.00 54.79 50.15 1sqj n ASP 331 Cb 0.21 -0.42 0.01 0.00 -1.35 0.00 0.00 41.12 39.57 1sqj n ASP 331 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1sqj n ALA 332 N -0.78 -0.84 -0.30 2.12 0.00 0.96 -2.71 120.51 118.95 1sqj n ALA 332 Ca 0.43 0.22 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1sqj n ALA 332 Cb 0.92 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 17.32 1sqj n ALA 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqj n GLY 333 N -1.27 0.66 0.28 0.00 0.00 -1.26 -4.96 105.19 98.64 1sqj n GLY 333 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1sqj n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj h ALA 334 N 0.00 0.87 -2.26 4.61 0.00 -1.85 -3.44 119.26 117.19 1sqj h ALA 334 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1sqj h ALA 334 Cb 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 17.79 17.37 1sqj h ALA 334 CO 0.00 0.39 -0.69 0.95 0.00 0.00 0.00 179.25 179.90 1sqj s THR 335 N -5.85 0.41 0.02 0.00 -4.23 -1.26 -4.80 115.64 99.94 1sqj s THR 335 Ca -0.13 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1sqj s THR 335 Cb 0.14 -1.55 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 1sqj s THR 335 CO 0.79 -0.93 -0.03 0.26 -0.54 0.00 0.00 174.62 174.16 1sqj s TRP 336 N -3.72 0.30 -0.15 3.99 0.52 0.48 -4.33 118.94 116.02 1sqj s TRP 336 Ca 0.08 -0.44 -0.07 0.00 0.02 0.00 0.00 56.10 55.70 1sqj s TRP 336 Cb 0.06 -0.20 -0.04 0.00 -1.15 0.00 0.00 33.47 32.14 1sqj s TRP 336 CO -0.08 -0.14 0.07 0.15 0.02 0.00 0.00 176.95 176.97 1sqj s LYS 337 N -1.23 3.71 -0.73 4.98 -0.14 0.73 -1.37 119.74 125.69 1sqj s LYS 337 Ca -0.12 -0.31 -0.24 0.00 -1.36 0.00 0.00 55.97 53.94 1sqj s LYS 337 Cb -0.08 -3.15 0.06 0.00 -1.68 0.00 0.00 37.83 32.98 1sqj s LYS 337 CO -0.01 0.45 1.13 0.34 -0.76 0.00 0.00 175.35 176.51 1sqj s ASP 338 N -0.12 6.22 0.33 2.83 -1.08 0.22 -0.65 116.67 124.42 1sqj s ASP 338 Ca 0.07 -0.88 0.01 0.00 -0.52 0.00 0.00 52.55 51.24 1sqj s ASP 338 Cb -0.12 -2.48 0.57 0.00 -1.46 0.00 0.00 42.92 39.42 1sqj s ASP 338 CO 0.01 -1.58 1.99 0.58 0.52 0.00 0.00 175.17 176.69 1sqj h VAL 339 N 6.05 1.17 0.12 1.11 2.07 -1.21 -1.96 116.25 123.60 1sqj h VAL 339 Ca -0.22 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1sqj h VAL 339 Cb 1.06 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1sqj h VAL 339 CO 1.23 0.17 -0.06 0.74 0.02 0.00 0.00 177.57 179.68 1sqj h THR 340 N 0.96 1.04 -0.38 2.57 2.02 -1.89 -1.55 112.91 115.68 1sqj h THR 340 Ca 0.27 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.80 1sqj h THR 340 Cb -0.09 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1sqj h THR 340 CO -0.06 0.16 0.21 1.56 0.37 0.00 0.00 175.52 177.75 1sqj h GLN 341 N -0.48 0.41 0.00 6.66 4.20 -1.85 -2.29 115.11 121.76 1sqj h GLN 341 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1sqj h GLN 341 Cb 0.39 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1sqj h GLN 341 CO 0.03 0.27 0.00 -0.07 -0.67 0.00 0.00 178.83 178.39 1sqj h LEU 342 N 0.42 0.00 -0.07 1.46 3.38 -1.30 -2.01 115.31 117.20 1sqj h LEU 342 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1sqj h LEU 342 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1sqj h LEU 342 CO -0.09 0.00 -0.36 -1.20 0.09 0.00 0.00 178.44 176.88 1sqj n SER 343 N -3.02 0.47 -4.66 -0.43 7.64 -0.59 -3.88 113.62 109.15 1sqj n SER 343 Ca 0.00 -0.21 -0.26 0.00 1.01 0.00 0.00 58.87 59.41 1sqj n SER 343 Cb 0.26 0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.47 1sqj n SER 343 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1sqj s SER 344 N -2.91 4.73 0.89 6.43 1.04 -0.76 -4.81 113.70 118.31 1sqj s SER 344 Ca 0.14 -0.43 -0.13 0.00 0.48 0.00 0.00 55.95 56.01 1sqj s SER 344 Cb 0.18 -0.99 0.04 0.00 0.10 0.00 0.00 66.02 65.35 1sqj s SER 344 CO 0.64 0.08 0.60 -2.65 0.98 0.00 0.00 173.24 172.89 1sqj n PRO 345 N -0.20 -0.13 -1.98 4.02 -0.02 -1.26 -4.99 135.00 130.44 1sqj n PRO 345 Ca -0.09 0.01 -0.29 0.00 -2.02 0.00 0.00 63.50 61.11 1sqj n PRO 345 Cb 0.56 -1.97 0.14 0.00 -0.02 0.00 0.00 33.50 32.20 1sqj n PRO 345 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sqj s SER 346 N -1.98 3.79 -1.22 2.55 1.04 -1.26 -4.47 113.70 112.14 1sqj s SER 346 Ca 0.62 0.43 -0.08 0.00 0.48 0.00 0.00 55.95 57.39 1sqj s SER 346 Cb -0.25 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.19 1sqj s SER 346 CO 0.63 -2.32 1.03 0.59 0.98 0.00 0.00 173.24 174.15 1sqj n ASN 347 N -3.50 -5.92 -0.40 7.02 3.02 -1.26 -4.89 115.26 109.33 1sqj n ASN 347 Ca 0.12 -0.47 0.05 0.00 -0.03 0.00 0.00 54.58 54.25 1sqj n ASN 347 Cb 0.60 -4.55 0.05 0.00 -0.61 0.00 0.00 39.78 35.28 1sqj n ASN 347 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sqj n LEU 348 N -4.49 1.95 -4.06 3.41 4.77 -1.26 -5.04 117.00 112.29 1sqj n LEU 348 Ca 0.00 -1.17 -0.44 0.00 -0.03 0.00 0.00 56.01 54.37 1sqj n LEU 348 Cb 0.56 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 1sqj n LEU 348 CO 0.57 0.41 -0.18 1.21 -1.33 0.00 0.00 177.39 178.07 1sqj n GLU 349 N 0.50 -0.41 0.00 3.23 4.07 -1.26 -1.76 120.64 125.01 1sqj n GLU 349 Ca 0.06 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 1sqj n GLU 349 Cb 0.26 -2.76 0.00 0.00 -0.06 0.00 0.00 31.44 28.88 1sqj n GLU 349 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sqj n GLY 350 N -2.10 2.54 3.17 8.31 0.00 -1.26 -4.51 105.19 111.35 1sqj n GLY 350 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1sqj n GLY 350 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sqj n ASN 351 N 0.00 5.16 -4.71 1.61 3.02 -0.72 -1.37 115.26 118.24 1sqj n ASN 351 Ca 0.00 -3.04 -0.32 0.00 -0.03 0.00 0.00 54.58 51.19 1sqj n ASN 351 Cb 0.00 -1.53 0.13 0.00 -0.61 0.00 0.00 39.78 37.77 1sqj n ASN 351 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1sqj s TRP 352 N 1.00 1.99 0.04 3.10 0.23 -1.26 -4.90 118.94 119.13 1sqj s TRP 352 Ca 0.41 1.69 -0.29 0.00 -2.03 0.00 0.00 56.10 55.89 1sqj s TRP 352 Cb 0.03 -3.28 0.10 0.00 0.03 0.00 0.00 33.47 30.35 1sqj s TRP 352 CO 0.00 -2.46 1.13 0.20 0.96 0.00 0.00 176.95 176.78 1sqj s GLY 353 N -2.75 -0.34 -0.08 0.98 0.00 -1.26 -3.97 107.32 99.90 1sqj s GLY 353 Ca 0.67 0.56 -0.05 0.00 0.00 0.00 0.00 44.72 45.90 1sqj s GLY 353 CO 0.55 0.12 0.12 0.30 0.00 0.00 0.00 173.10 174.19 1sqj s HIS 354 N -2.81 3.50 0.21 1.90 3.76 0.50 -4.18 115.29 118.16 1sqj s HIS 354 Ca 0.12 0.41 -0.32 0.00 -0.15 0.00 0.00 55.06 55.12 1sqj s HIS 354 Cb 0.02 -1.87 -0.13 0.00 1.11 0.00 0.00 32.58 31.70 1sqj s HIS 354 CO -0.02 0.66 1.50 -2.30 -0.85 0.00 0.00 174.74 173.74 1sqj n PRO 355 N 1.69 2.15 0.08 8.40 -0.02 -1.26 -0.19 135.00 145.86 1sqj n PRO 355 Ca -0.17 0.77 0.21 0.00 -2.02 0.00 0.00 63.50 62.28 1sqj n PRO 355 Cb 0.54 -2.49 0.72 0.00 -0.02 0.00 0.00 33.50 32.25 1sqj n PRO 355 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1sqj h THR 356 N 3.34 0.31 -0.22 3.45 2.02 -1.09 -0.11 112.91 120.61 1sqj h THR 356 Ca -0.45 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.79 1sqj h THR 356 Cb 1.26 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1sqj h THR 356 CO 0.82 0.00 0.19 -1.13 0.37 0.00 0.00 175.52 175.77 1sqj h ASN 357 N 0.00 0.00 1.29 4.18 -0.00 -1.89 -1.47 115.58 117.69 1sqj h ASN 357 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.51 1sqj h ASN 357 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.54 1sqj h ASN 357 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.43 177.43 1sqj h ALA 358 N 1.82 1.00 -0.11 1.57 0.00 -1.33 -3.40 119.26 118.82 1sqj h ALA 358 Ca 0.10 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.37 1sqj h ALA 358 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sqj h ALA 358 CO -0.00 0.00 2.43 0.00 0.00 0.00 0.00 179.25 181.68 1sqj n ALA 359 N -1.83 3.88 -3.11 0.00 0.00 -0.56 -4.31 120.51 114.58 1sqj n ALA 359 Ca 0.04 -3.50 -0.12 0.00 0.00 0.00 0.00 53.44 49.86 1sqj n ALA 359 Cb 0.38 -3.59 -0.10 0.00 0.00 0.00 0.00 19.45 16.13 1sqj n ALA 359 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sqj s ARG 360 N 4.53 0.43 1.18 0.00 0.52 -1.26 -0.83 118.95 123.52 1sqj s ARG 360 Ca 0.55 -0.18 -0.13 0.00 -0.52 0.00 0.00 55.73 55.45 1sqj s ARG 360 Cb 0.12 0.18 0.29 0.00 0.52 0.00 0.00 34.95 36.07 1sqj s ARG 360 CO 0.05 -0.10 1.02 0.71 0.02 0.00 0.00 175.30 177.01 1sqj s TYR 361 N -0.93 1.31 0.41 -0.53 2.02 -0.08 -0.10 117.35 119.46 1sqj s TYR 361 Ca -0.10 1.11 0.18 0.00 -0.37 0.00 0.00 57.07 57.89 1sqj s TYR 361 Cb -0.05 -3.09 1.06 0.00 -0.40 0.00 0.00 41.96 39.47 1sqj s TYR 361 CO 0.01 -3.95 1.97 -0.22 -1.57 0.00 0.00 175.55 171.79 1sqj h LYS 362 N -2.68 0.00 0.00 -0.62 3.64 -1.91 -2.01 116.57 112.99 1sqj h LYS 362 Ca -0.62 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1sqj h LYS 362 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1sqj h LYS 362 CO 0.51 0.22 0.00 -0.40 -2.27 0.00 0.00 179.45 177.50 1sqj n ASP 363 N -4.04 0.00 0.00 4.20 3.85 -1.26 -4.88 116.55 114.42 1sqj n ASP 363 Ca -0.02 -0.25 0.00 0.00 -0.71 0.00 0.00 54.79 53.81 1sqj n ASP 363 Cb 0.29 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 1sqj n ASP 363 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sqj n GLY 364 N 0.96 1.10 3.66 6.12 0.00 -0.75 -5.07 105.19 111.20 1sqj n GLY 364 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1sqj n GLY 364 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqj s THR 365 N -2.08 3.20 0.58 2.61 2.01 -1.26 -4.69 115.64 116.01 1sqj s THR 365 Ca 0.00 0.29 -0.17 0.00 0.31 0.00 0.00 61.69 62.11 1sqj s THR 365 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1sqj s THR 365 CO 0.00 -0.02 1.10 -2.16 -0.69 0.00 0.00 174.62 172.85 1sqj s PRO 366 N 4.15 3.21 -0.72 4.92 0.04 -1.26 -0.90 135.00 144.44 1sqj s PRO 366 Ca 0.82 1.44 0.05 0.00 0.04 0.00 0.00 61.00 63.35 1sqj s PRO 366 Cb -0.39 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.33 1sqj s PRO 366 CO 0.37 -0.93 0.58 0.28 0.04 0.00 0.00 177.00 177.33 1sqj n VAL 367 N -1.76 1.93 -0.27 -0.36 0.31 -0.01 -4.42 118.33 113.75 1sqj n VAL 367 Ca 0.10 -4.97 -0.01 0.00 -0.01 0.00 0.00 64.34 59.45 1sqj n VAL 367 Cb 0.52 -2.19 0.18 0.00 -0.91 0.00 0.00 33.84 31.44 1sqj n VAL 367 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1sqj h PRO 368 N 5.21 1.11 0.00 5.55 0.11 -1.82 -1.87 132.00 140.29 1sqj h PRO 368 Ca 0.16 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1sqj h PRO 368 Cb 0.74 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1sqj h PRO 368 CO 0.76 0.77 0.00 0.11 -0.21 0.00 0.00 178.00 179.43 1sqj h TRP 369 N 1.13 0.00 0.00 0.65 5.08 -1.78 -3.11 115.95 117.92 1sqj h TRP 369 Ca 0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.27 1sqj h TRP 369 Cb -0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.10 1sqj h TRP 369 CO 0.00 0.00 0.00 -0.11 -1.28 0.00 0.00 178.44 177.05 1sqj n LEU 370 N -2.55 0.22 -0.12 0.11 7.94 -0.70 -0.48 117.00 121.41 1sqj n LEU 370 Ca -0.02 0.56 0.13 0.00 -1.11 0.00 0.00 56.01 55.57 1sqj n LEU 370 Cb 0.05 -0.53 0.43 0.00 0.53 0.00 0.00 43.42 43.90 1sqj n LEU 370 CO 0.13 -0.38 0.69 -0.90 -1.11 0.00 0.00 177.39 175.82 1sqj n ASP 371 N -1.74 0.64 -3.31 1.96 5.68 -1.18 -4.78 116.55 113.83 1sqj n ASP 371 Ca 0.03 -0.51 -0.22 0.00 -0.50 0.00 0.00 54.79 53.59 1sqj n ASP 371 Cb 0.17 0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.20 1sqj n ASP 371 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1sqj n PHE 372 N -1.04 -1.74 -1.14 2.11 3.01 0.36 -1.23 117.46 117.80 1sqj n PHE 372 Ca 0.11 0.42 -0.09 0.00 1.01 0.00 0.00 57.45 58.89 1sqj n PHE 372 Cb 0.32 -2.73 -0.04 0.00 -0.01 0.00 0.00 39.48 37.02 1sqj n PHE 372 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1sqj n ASN 373 N -2.21 -3.88 -4.14 4.37 3.02 -1.26 -1.23 115.26 109.93 1sqj n ASN 373 Ca -0.02 0.22 -0.34 0.00 -0.03 0.00 0.00 54.58 54.42 1sqj n ASN 373 Cb 0.54 -3.13 -0.02 0.00 -0.61 0.00 0.00 39.78 36.56 1sqj n ASN 373 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sqj n ASN 374 N -0.29 -2.99 -3.43 6.41 4.13 -0.37 -4.96 115.26 113.77 1sqj n ASN 374 Ca -0.09 -0.98 -0.25 0.00 1.68 0.00 0.00 54.58 54.94 1sqj n ASN 374 Cb 0.42 -2.94 0.20 0.00 -1.54 0.00 0.00 39.78 35.92 1sqj n ASN 374 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sqj n GLY 375 N -1.54 -2.39 3.78 7.41 0.00 -0.36 -4.86 105.19 107.22 1sqj n GLY 375 Ca 0.01 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 1sqj n GLY 375 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqj s PRO 376 N -5.16 3.32 0.38 1.61 0.04 -1.26 -4.75 135.00 129.18 1sqj s PRO 376 Ca 0.60 1.50 0.04 0.00 0.04 0.00 0.00 61.00 63.19 1sqj s PRO 376 Cb -0.05 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1sqj s PRO 376 CO 0.45 -0.85 0.54 -0.65 0.04 0.00 0.00 177.00 176.53 1sqj s GLN 377 N -3.48 3.09 0.26 4.56 -0.21 -1.26 -4.85 119.66 117.76 1sqj s GLN 377 Ca 0.70 -0.84 -0.17 0.00 0.02 0.00 0.00 55.36 55.07 1sqj s GLN 377 Cb -0.22 -2.73 0.01 0.00 1.00 0.00 0.00 33.01 31.08 1sqj s GLN 377 CO 0.29 -0.06 0.60 1.67 -2.12 0.00 0.00 175.29 175.67 1sqj s TRP 378 N -2.31 0.04 -0.38 0.91 -2.14 -0.74 -4.83 118.94 109.49 1sqj s TRP 378 Ca 0.46 -0.45 -0.44 0.00 2.66 0.00 0.00 56.10 58.34 1sqj s TRP 378 Cb -0.10 0.46 -0.18 0.00 -3.10 0.00 0.00 33.47 30.55 1sqj s TRP 378 CO 0.33 -1.10 1.65 0.41 -2.66 0.00 0.00 176.95 175.58 1sqj n GLY 379 N -0.41 0.49 2.30 3.67 0.00 -1.26 -0.40 105.19 109.58 1sqj n GLY 379 Ca -0.04 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.94 1sqj n GLY 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 380 N 4.00 0.54 2.62 -0.02 0.00 -1.26 -4.99 105.19 106.07 1sqj n GLY 380 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1sqj n GLY 380 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sqj s TYR 381 N -2.25 0.09 -0.26 1.61 5.04 0.47 -5.01 117.35 117.04 1sqj s TYR 381 Ca 0.00 -0.49 0.04 0.00 -2.44 0.00 0.00 57.07 54.17 1sqj s TYR 381 Cb 0.00 -0.71 -0.02 0.00 0.35 0.00 0.00 41.96 41.58 1sqj s TYR 381 CO 0.00 -0.74 0.29 0.41 -1.34 0.00 0.00 175.55 174.18 1sqj n GLY 382 N 5.28 0.12 0.40 8.97 0.00 -1.26 -1.79 105.19 116.90 1sqj n GLY 382 Ca -0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1sqj n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj h ALA 383 N 0.57 -0.18 -2.55 4.61 0.00 -1.94 -3.42 119.26 116.35 1sqj h ALA 383 Ca 0.00 0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.57 1sqj h ALA 383 Cb 0.11 1.11 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1sqj h ALA 383 CO 0.00 -0.78 0.63 -1.25 0.00 0.00 0.00 179.25 177.85 1sqj s PRO 384 N -5.78 4.39 0.37 0.00 0.04 -1.26 -4.60 135.00 128.15 1sqj s PRO 384 Ca -0.13 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 1sqj s PRO 384 Cb 0.16 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 31.33 1sqj s PRO 384 CO 0.67 -0.31 1.11 -1.58 0.04 0.00 0.00 177.00 176.93 1sqj s HIS 385 N 0.87 3.27 0.27 0.56 2.46 -1.26 -4.83 115.29 116.63 1sqj s HIS 385 Ca 0.60 1.62 0.18 0.00 0.47 0.00 0.00 55.06 57.93 1sqj s HIS 385 Cb -0.33 -3.28 0.80 0.00 -0.13 0.00 0.00 32.58 29.64 1sqj s HIS 385 CO 0.31 -0.89 1.81 0.78 -2.47 0.00 0.00 174.74 174.28 1sqj h GLY 386 N 2.91 0.00 -6.16 1.59 0.00 -1.89 -3.40 103.07 96.12 1sqj h GLY 386 Ca -0.48 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.25 1sqj h GLY 386 CO 0.64 0.00 0.18 -1.59 0.00 0.00 0.00 176.54 175.76 1sqj s THR 387 N -3.87 4.99 0.25 4.70 2.01 -1.26 -5.01 115.64 117.44 1sqj s THR 387 Ca -0.01 1.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.89 1sqj s THR 387 Cb 0.12 -3.96 -0.14 0.00 0.01 0.00 0.00 72.50 68.53 1sqj s THR 387 CO 0.68 0.06 1.22 -2.65 -0.69 0.00 0.00 174.62 173.24 1sqj n PRO 388 N 5.43 1.63 -0.94 4.92 -0.02 -1.26 -1.89 135.00 142.87 1sqj n PRO 388 Ca -0.00 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1sqj n PRO 388 Cb 0.49 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1sqj n PRO 388 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqj n GLY 389 N 1.71 0.56 3.34 -1.23 0.00 -1.26 -5.04 105.19 103.27 1sqj n GLY 389 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1sqj n GLY 389 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqj s LEU 390 N 0.00 2.23 0.09 0.99 1.02 -0.79 -0.51 118.68 121.72 1sqj s LEU 390 Ca 0.00 -0.64 0.08 0.00 0.02 0.00 0.00 54.13 53.58 1sqj s LEU 390 Cb 0.00 -1.18 -0.04 0.00 0.02 0.00 0.00 46.19 44.99 1sqj s LEU 390 CO 0.00 0.20 -0.15 -0.89 0.02 0.00 0.00 176.35 175.53 1sqj s THR 391 N -0.93 3.01 0.49 5.49 2.01 0.73 -4.53 115.64 121.92 1sqj s THR 391 Ca 0.11 -1.34 -0.23 0.00 0.31 0.00 0.00 61.69 60.54 1sqj s THR 391 Cb -0.10 -2.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.98 1sqj s THR 391 CO 0.04 0.17 1.32 -0.54 -0.69 0.00 0.00 174.62 174.92 1sqj s LYS 392 N -1.98 3.47 0.23 4.92 1.02 -1.26 -0.37 119.74 125.78 1sqj s LYS 392 Ca 0.18 2.16 -0.07 0.00 0.02 0.00 0.00 55.97 58.27 1sqj s LYS 392 Cb -0.11 -2.43 0.21 0.00 -0.52 0.00 0.00 37.83 34.99 1sqj s LYS 392 CO 0.10 -0.90 1.86 0.35 -0.92 0.00 0.00 175.35 175.83 1sqj h PHE 393 N 1.89 1.25 0.00 3.18 3.57 -1.86 -3.40 116.94 121.57 1sqj h PHE 393 Ca -0.50 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 60.97 1sqj h PHE 393 Cb 1.28 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1sqj h PHE 393 CO 0.49 0.86 0.00 0.41 -2.23 0.00 0.00 178.31 177.84 1sqj n GLY 394 N -1.14 2.26 3.19 2.40 0.00 -1.26 -4.95 105.19 105.69 1sqj n GLY 394 Ca 0.10 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1sqj n GLY 394 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1sqj s TRP 395 N -2.00 0.52 -1.41 1.61 -2.14 -1.26 -4.62 118.94 109.64 1sqj s TRP 395 Ca 0.00 -0.95 -0.05 0.00 2.66 0.00 0.00 56.10 57.76 1sqj s TRP 395 Cb 0.00 -0.27 0.03 0.00 -3.10 0.00 0.00 33.47 30.13 1sqj s TRP 395 CO 0.00 -0.54 0.75 0.91 -2.66 0.00 0.00 176.95 175.42 1sqj n TRP 396 N -0.07 -1.99 -2.23 1.66 7.02 -1.26 -2.07 117.44 118.50 1sqj n TRP 396 Ca -0.10 0.85 -0.42 0.00 -1.02 0.00 0.00 57.50 56.81 1sqj n TRP 396 Cb 0.63 -4.12 0.00 0.00 -2.42 0.00 0.00 31.31 25.40 1sqj n TRP 396 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1sqj n MET 397 N -4.43 3.62 -0.04 -0.99 2.81 -1.26 -4.15 117.12 112.68 1sqj n MET 397 Ca -0.18 -3.40 -0.03 0.00 -1.81 0.00 0.00 57.70 52.27 1sqj n MET 397 Cb 0.62 -2.94 -0.14 0.00 -0.71 0.00 0.00 33.22 30.06 1sqj n MET 397 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1sqj n SER 398 N 3.91 0.31 -4.59 7.83 3.41 -1.26 -4.12 113.62 119.11 1sqj n SER 398 Ca 0.43 0.14 -0.39 0.00 -0.26 0.00 0.00 58.87 58.80 1sqj n SER 398 Cb 0.35 0.86 -0.10 0.00 -0.26 0.00 0.00 64.21 65.06 1sqj n SER 398 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqj s ALA 399 N -2.80 3.54 -0.06 7.33 0.00 -1.26 -3.78 121.76 124.72 1sqj s ALA 399 Ca -0.07 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 1sqj s ALA 399 Cb 0.08 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.67 1sqj s ALA 399 CO 0.84 -0.62 0.30 0.54 0.00 0.00 0.00 175.76 176.82 1sqj s VAL 400 N 1.84 0.03 -0.12 0.00 0.11 -1.26 0.02 120.40 121.02 1sqj s VAL 400 Ca 0.09 -0.27 -0.06 0.00 -2.93 0.00 0.00 61.98 58.82 1sqj s VAL 400 Cb -0.16 -0.52 0.05 0.00 -1.53 0.00 0.00 36.38 34.22 1sqj s VAL 400 CO 0.11 -0.15 0.28 -0.22 -3.33 0.00 0.00 175.10 171.79 1sqj s LEU 401 N -0.62 0.24 -0.31 2.54 2.96 0.17 -4.65 118.68 119.00 1sqj s LEU 401 Ca -0.07 0.61 -0.21 0.00 -0.22 0.00 0.00 54.13 54.23 1sqj s LEU 401 Cb -0.04 0.86 -0.00 0.00 0.50 0.00 0.00 46.19 47.51 1sqj s LEU 401 CO 0.02 -0.18 0.69 -0.63 -1.32 0.00 0.00 176.35 174.94 1sqj s ILE 402 N 1.40 4.87 -0.11 6.68 1.01 -1.26 -1.40 121.20 132.39 1sqj s ILE 402 Ca -0.08 0.94 -0.35 0.00 0.00 0.00 0.00 60.65 61.15 1sqj s ILE 402 Cb -0.10 -4.07 -0.13 0.00 0.01 0.00 0.00 42.46 38.17 1sqj s ILE 402 CO -0.09 -0.21 1.82 -0.67 0.00 0.00 0.00 174.94 175.79 1sqj n ASP 403 N 6.03 3.16 0.28 3.58 -0.08 0.25 -4.75 116.55 125.02 1sqj n ASP 403 Ca 0.01 1.01 0.16 0.00 -1.51 0.00 0.00 54.79 54.46 1sqj n ASP 403 Cb 0.49 -1.32 0.76 0.00 2.34 0.00 0.00 41.12 43.38 1sqj n ASP 403 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1sqj h PRO 404 N 8.45 0.00 -0.10 -0.67 0.13 -1.93 -2.21 132.00 135.68 1sqj h PRO 404 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1sqj h PRO 404 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1sqj h PRO 404 CO 0.94 0.06 0.00 1.19 -0.23 0.00 0.00 178.00 179.96 1sqj n PHE 405 N -3.26 0.10 -3.24 1.56 3.01 -1.26 -4.72 117.46 109.66 1sqj n PHE 405 Ca -0.01 -0.05 -0.03 0.00 1.01 0.00 0.00 57.45 58.38 1sqj n PHE 405 Cb 0.27 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.71 1sqj n PHE 405 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1sqj s ASN 406 N -1.88 -0.96 0.00 4.37 3.04 -0.85 -5.02 114.94 113.64 1sqj s ASN 406 Ca 0.30 -0.82 0.09 0.00 0.04 0.00 0.00 52.86 52.47 1sqj s ASN 406 Cb 0.20 1.67 0.47 0.00 -1.54 0.00 0.00 41.25 42.05 1sqj s ASN 406 CO 0.30 -0.21 1.18 -2.65 -3.04 0.00 0.00 177.10 172.68 1sqj n PRO 407 N 4.52 0.13 0.13 0.43 -0.02 -1.11 -0.10 135.00 138.99 1sqj n PRO 407 Ca 0.10 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 1sqj n PRO 407 Cb 0.54 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.73 1sqj n PRO 407 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1sqj h GLU 408 N 0.00 0.00 -5.66 -0.52 4.39 -1.86 -3.45 114.58 107.48 1sqj h GLU 408 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1sqj h GLU 408 Cb 0.09 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.60 1sqj h GLU 408 CO 0.00 0.00 0.28 -1.58 -1.16 0.00 0.00 179.01 176.55 1sqj s HIS 409 N -3.20 3.02 -0.08 4.33 2.46 0.85 -2.11 115.29 120.56 1sqj s HIS 409 Ca 0.06 0.09 0.04 0.00 0.47 0.00 0.00 55.06 55.72 1sqj s HIS 409 Cb 0.10 -3.56 -0.01 0.00 -0.13 0.00 0.00 32.58 28.98 1sqj s HIS 409 CO 0.68 -0.95 -0.21 -1.17 -2.47 0.00 0.00 174.74 170.62 1sqj s LEU 410 N 3.13 2.26 -0.00 8.88 0.20 -0.59 -0.58 118.68 131.98 1sqj s LEU 410 Ca 0.27 -0.46 0.08 0.00 0.69 0.00 0.00 54.13 54.71 1sqj s LEU 410 Cb -0.13 -1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 1sqj s LEU 410 CO 0.21 0.22 -0.24 -0.04 -0.29 0.00 0.00 176.35 176.21 1sqj s MET 411 N 0.01 1.90 0.00 1.98 -1.94 -0.50 -1.62 119.30 119.14 1sqj s MET 411 Ca -0.08 -0.92 0.02 0.00 -1.71 0.00 0.00 55.69 53.01 1sqj s MET 411 Cb -0.15 -1.89 -0.01 0.00 2.01 0.00 0.00 34.83 34.79 1sqj s MET 411 CO 0.05 0.51 -0.07 1.52 -0.01 0.00 0.00 175.02 177.03 1sqj s TYR 412 N -0.63 0.59 0.47 -0.03 -0.85 -0.17 -0.65 117.35 116.08 1sqj s TYR 412 Ca 0.10 -0.16 -0.04 0.00 -0.52 0.00 0.00 57.07 56.45 1sqj s TYR 412 Cb -0.09 -0.37 -0.02 0.00 0.38 0.00 0.00 41.96 41.85 1sqj s TYR 412 CO -0.00 -0.02 0.75 0.20 -1.52 0.00 0.00 175.55 174.96 1sqj s GLY 413 N -0.35 1.50 0.13 5.49 0.00 0.10 -0.45 107.32 113.74 1sqj s GLY 413 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.08 1sqj s GLY 413 CO -0.00 -0.50 0.08 -1.30 0.00 0.00 0.00 173.10 171.38 1sqj n THR 414 N -2.21 0.00 1.26 0.90 -2.24 -0.23 -4.08 114.28 107.67 1sqj n THR 414 Ca 0.00 -0.87 0.08 0.00 -2.27 0.00 0.00 64.05 60.99 1sqj n THR 414 Cb 0.56 0.38 0.49 0.00 -2.10 0.00 0.00 70.33 69.66 1sqj n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqj n GLY 415 N 0.46 -0.63 0.00 3.38 0.00 -0.88 -2.59 105.19 104.94 1sqj n GLY 415 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1sqj n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj n ALA 416 N -0.91 0.30 -3.48 4.61 0.00 -1.15 -3.07 120.51 116.81 1sqj n ALA 416 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1sqj n ALA 416 Cb 0.06 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.52 1sqj n ALA 416 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1sqj n THR 417 N -0.20 0.00 -4.16 0.00 5.66 -1.24 -1.01 114.28 113.34 1sqj n THR 417 Ca 0.00 -0.55 -0.33 0.00 -3.05 0.00 0.00 64.05 60.13 1sqj n THR 417 Cb 0.00 0.57 -0.16 0.00 -1.55 0.00 0.00 70.33 69.18 1sqj n THR 417 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1sqj s ILE 418 N -2.44 2.00 0.10 1.09 1.01 -1.26 -1.07 121.20 120.64 1sqj s ILE 418 Ca 0.10 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 1sqj s ILE 418 Cb -0.03 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1sqj s ILE 418 CO 0.06 0.53 0.30 0.26 0.00 0.00 0.00 174.94 176.10 1sqj s TRP 419 N 1.27 3.50 0.15 3.97 0.52 0.40 -1.27 118.94 127.48 1sqj s TRP 419 Ca 0.04 0.44 -0.13 0.00 0.02 0.00 0.00 56.10 56.47 1sqj s TRP 419 Cb -0.13 -1.91 0.01 0.00 -1.15 0.00 0.00 33.47 30.29 1sqj s TRP 419 CO -0.12 0.51 0.36 0.00 0.02 0.00 0.00 176.95 177.72 1sqj s ALA 420 N -1.58 -0.51 0.02 0.98 0.00 0.17 -1.00 121.76 119.85 1sqj s ALA 420 Ca 0.38 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 1sqj s ALA 420 Cb -0.13 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 1sqj s ALA 420 CO 0.25 -0.66 -0.03 -0.08 0.00 0.00 0.00 175.76 175.24 1sqj s THR 421 N -3.88 0.13 -1.35 0.00 -1.32 -0.64 -0.28 115.64 108.31 1sqj s THR 421 Ca 0.09 -1.04 0.14 0.00 -1.21 0.00 0.00 61.69 59.68 1sqj s THR 421 Cb 0.02 -0.44 0.35 0.00 -1.51 0.00 0.00 72.50 70.92 1sqj s THR 421 CO -0.06 -0.57 1.27 0.47 -2.21 0.00 0.00 174.62 173.53 1sqj n ASP 422 N 1.39 3.04 -2.67 8.08 10.43 -1.26 -1.54 116.55 134.02 1sqj n ASP 422 Ca -0.23 -1.93 -0.12 0.00 2.57 0.00 0.00 54.79 55.09 1sqj n ASP 422 Cb 0.56 -0.25 0.02 0.00 1.84 0.00 0.00 41.12 43.29 1sqj n ASP 422 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1sqj n THR 423 N 0.84 1.10 -0.33 -3.53 -2.24 -1.10 -4.48 114.28 104.53 1sqj n THR 423 Ca 0.14 -3.35 -0.02 0.00 -2.27 0.00 0.00 64.05 58.56 1sqj n THR 423 Cb 0.46 0.40 0.13 0.00 -2.10 0.00 0.00 70.33 69.23 1sqj n THR 423 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1sqj h LEU 424 N 2.95 1.09 0.00 3.22 5.85 -1.69 -2.74 115.31 123.99 1sqj h LEU 424 Ca -0.05 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1sqj h LEU 424 Cb 1.14 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1sqj h LEU 424 CO 0.54 0.81 0.00 -1.20 -0.34 0.00 0.00 178.44 178.25 1sqj n SER 425 N -4.37 0.00 -0.25 1.25 7.64 -1.26 -2.70 113.62 113.92 1sqj n SER 425 Ca 0.11 -0.09 0.23 0.00 1.01 0.00 0.00 58.87 60.13 1sqj n SER 425 Cb 0.04 -0.14 0.57 0.00 -1.01 0.00 0.00 64.21 63.67 1sqj n SER 425 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1sqj h ARG 426 N 0.00 0.29 0.00 1.43 2.47 -1.76 -1.72 114.38 115.08 1sqj h ARG 426 Ca 0.00 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1sqj h ARG 426 Cb 0.04 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1sqj h ARG 426 CO 0.00 0.19 -0.06 -0.39 0.56 0.00 0.00 179.97 180.27 1sqj h VAL 427 N 0.29 0.22 0.00 2.04 -1.51 -1.39 -1.47 116.25 114.44 1sqj h VAL 427 Ca 0.50 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1sqj h VAL 427 Cb 1.43 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.99 1sqj h VAL 427 CO -0.16 0.06 0.00 -0.62 -1.23 0.00 0.00 177.57 175.62 1sqj n GLU 428 N -3.27 0.13 -0.23 5.19 -0.58 -0.65 -0.60 120.64 120.63 1sqj n GLU 428 Ca -0.01 0.48 0.06 0.00 -0.42 0.00 0.00 57.16 57.27 1sqj n GLU 428 Cb 0.26 -1.81 0.17 0.00 -0.57 0.00 0.00 31.44 29.49 1sqj n GLU 428 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1sqj n LYS 429 N -2.06 2.74 -2.21 3.49 5.02 -0.73 -4.95 118.16 119.45 1sqj n LYS 429 Ca 0.01 -2.31 -0.17 0.00 -2.02 0.00 0.00 58.31 53.83 1sqj n LYS 429 Cb 0.13 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1sqj n LYS 429 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1sqj n ASP 430 N -0.20 -4.93 -4.92 4.39 10.43 0.24 -5.02 116.55 116.54 1sqj n ASP 430 Ca 0.14 0.04 -0.20 0.00 2.57 0.00 0.00 54.79 57.34 1sqj n ASP 430 Cb 0.59 -4.02 -0.02 0.00 1.84 0.00 0.00 41.12 39.51 1sqj n ASP 430 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 1sqj s TRP 431 N -2.80 2.95 -0.22 1.24 0.51 -0.63 -4.97 118.94 115.01 1sqj s TRP 431 Ca 0.00 -0.30 -0.15 0.00 -2.12 0.00 0.00 56.10 53.53 1sqj s TRP 431 Cb 0.00 -1.96 -0.04 0.00 -0.81 0.00 0.00 33.47 30.66 1sqj s TRP 431 CO 0.00 0.03 0.37 0.00 -0.51 0.00 0.00 176.95 176.84 1sqj s ALA 432 N -2.28 3.57 0.66 0.98 0.00 -1.25 -2.94 121.76 120.48 1sqj s ALA 432 Ca 0.44 -0.63 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 1sqj s ALA 432 Cb -0.07 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1sqj s ALA 432 CO 0.29 -0.37 1.07 -2.30 0.00 0.00 0.00 175.76 174.45 1sqj n PRO 433 N 4.64 0.83 -3.14 0.00 -0.02 -1.26 -4.91 135.00 131.14 1sqj n PRO 433 Ca -0.09 0.33 -0.39 0.00 -2.02 0.00 0.00 63.50 61.33 1sqj n PRO 433 Cb 0.51 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1sqj n PRO 433 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1sqj s SER 434 N -1.43 6.98 0.17 2.55 0.01 -1.26 -4.95 113.70 115.78 1sqj s SER 434 Ca 0.78 1.18 0.06 0.00 1.31 0.00 0.00 55.95 59.28 1sqj s SER 434 Cb -0.38 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 1sqj s SER 434 CO 0.46 0.03 0.04 0.26 0.41 0.00 0.00 173.24 174.43 1sqj s TRP 435 N 0.15 2.94 0.33 2.43 0.52 -1.26 -4.13 118.94 119.92 1sqj s TRP 435 Ca 0.33 -0.10 -0.11 0.00 0.02 0.00 0.00 56.10 56.25 1sqj s TRP 435 Cb -0.18 -1.42 0.02 0.00 -1.15 0.00 0.00 33.47 30.73 1sqj s TRP 435 CO 0.18 0.52 0.60 1.52 0.02 0.00 0.00 176.95 179.78 1sqj s TYR 436 N -1.71 0.50 -0.25 -1.98 1.13 0.62 -4.84 117.35 110.82 1sqj s TYR 436 Ca 0.28 -0.93 -0.12 0.00 -1.41 0.00 0.00 57.07 54.90 1sqj s TYR 436 Cb -0.10 0.34 -0.05 0.00 -1.10 0.00 0.00 41.96 41.06 1sqj s TYR 436 CO 0.20 -1.26 0.24 -0.51 -2.51 0.00 0.00 175.55 171.71 1sqj s LEU 437 N -3.11 4.07 -0.96 -3.49 1.43 0.86 0.44 118.68 117.92 1sqj s LEU 437 Ca 0.22 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1sqj s LEU 437 Cb -0.02 -2.21 0.31 0.00 0.03 0.00 0.00 46.19 44.29 1sqj s LEU 437 CO 0.14 -0.03 1.42 1.67 0.23 0.00 0.00 176.35 179.78 1sqj n GLN 438 N 4.76 4.35 0.00 1.70 7.27 -0.39 -3.83 117.38 131.23 1sqj n GLN 438 Ca -0.13 -4.63 0.00 0.00 0.07 0.00 0.00 57.00 52.31 1sqj n GLN 438 Cb 0.52 -2.44 0.00 0.00 2.41 0.00 0.00 30.24 30.72 1sqj n GLN 438 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1sqj n ILE 439 N 0.78 0.00 -1.69 1.69 0.13 -1.26 -4.63 119.36 114.37 1sqj n ILE 439 Ca 0.32 -0.21 -0.44 0.00 -1.10 0.00 0.00 62.75 61.32 1sqj n ILE 439 Cb 0.33 0.80 -0.03 0.00 -0.84 0.00 0.00 39.64 39.89 1sqj n ILE 439 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1sqj n ASP 440 N -0.70 3.81 0.00 9.51 2.03 -1.26 -1.26 116.55 128.68 1sqj n ASP 440 Ca 0.00 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.33 1sqj n ASP 440 Cb 0.00 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 38.89 1sqj n ASP 440 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sqj n GLY 441 N 4.05 1.94 3.69 0.27 0.00 -1.26 -0.21 105.19 113.67 1sqj n GLY 441 Ca 0.18 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1sqj n GLY 441 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqj s ILE 442 N -1.67 4.98 -0.23 -0.61 1.01 -0.39 -4.70 121.20 119.59 1sqj s ILE 442 Ca 0.00 1.51 -0.01 0.00 0.00 0.00 0.00 60.65 62.15 1sqj s ILE 442 Cb 0.00 -4.07 0.06 0.00 0.01 0.00 0.00 42.46 38.46 1sqj s ILE 442 CO 0.00 0.16 -0.00 -1.61 0.00 0.00 0.00 174.94 173.49 1sqj s GLU 443 N 1.36 1.17 -0.01 2.79 0.41 -1.26 -0.07 118.70 123.08 1sqj s GLU 443 Ca 0.38 -0.79 0.08 0.00 -0.41 0.00 0.00 54.97 54.22 1sqj s GLU 443 Cb -0.17 -2.37 0.21 0.00 -1.78 0.00 0.00 34.13 30.02 1sqj s GLU 443 CO 0.16 -0.65 1.17 -1.91 -0.49 0.00 0.00 175.26 173.54 1sqj n GLU 444 N 4.83 2.88 -2.29 1.61 2.13 0.29 -3.72 120.64 126.36 1sqj n GLU 444 Ca -0.10 -1.91 -0.34 0.00 0.66 0.00 0.00 57.16 55.47 1sqj n GLU 444 Cb 0.45 -1.21 -0.01 0.00 0.27 0.00 0.00 31.44 30.94 1sqj n GLU 444 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1sqj s ASN 445 N -1.09 5.90 -0.35 4.31 0.01 -1.24 -4.18 114.94 118.30 1sqj s ASN 445 Ca 0.16 2.03 -0.12 0.00 -0.71 0.00 0.00 52.86 54.22 1sqj s ASN 445 Cb 0.09 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 1sqj s ASN 445 CO 0.10 -1.09 0.22 0.00 -1.51 0.00 0.00 177.10 174.82 1sqj s ALA 446 N -1.98 3.42 -0.19 0.60 0.00 -1.26 -1.05 121.76 121.30 1sqj s ALA 446 Ca 0.69 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1sqj s ALA 446 Cb -0.20 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1sqj s ALA 446 CO 0.27 -1.06 0.16 0.42 0.00 0.00 0.00 175.76 175.55 1sqj s ILE 447 N 1.67 5.39 -0.09 0.00 -1.09 0.32 -1.31 121.20 126.10 1sqj s ILE 447 Ca 0.05 0.27 0.10 0.00 -2.23 0.00 0.00 60.65 58.84 1sqj s ILE 447 Cb -0.18 -3.50 -0.14 0.00 -1.58 0.00 0.00 42.46 37.06 1sqj s ILE 447 CO 0.09 0.44 0.08 0.18 -1.23 0.00 0.00 174.94 174.50 1sqj n LEU 448 N 3.43 0.00 -3.67 2.97 4.77 0.42 -4.67 117.00 120.25 1sqj n LEU 448 Ca -0.15 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.68 1sqj n LEU 448 Cb 0.52 0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.74 1sqj n LEU 448 CO 0.37 0.21 0.20 -0.55 -1.33 0.00 0.00 177.39 176.30 1sqj s SER 449 N -4.13 -0.44 -0.04 -1.43 0.15 -0.90 -4.80 113.70 102.11 1sqj s SER 449 Ca -0.05 0.58 -0.01 0.00 0.70 0.00 0.00 55.95 57.16 1sqj s SER 449 Cb 0.04 0.61 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1sqj s SER 449 CO 0.45 -0.41 0.03 -0.76 1.20 0.00 0.00 173.24 173.76 1sqj s LEU 450 N -0.78 0.60 -0.12 3.45 1.43 -1.26 -1.17 118.68 120.83 1sqj s LEU 450 Ca -0.08 0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1sqj s LEU 450 Cb -0.03 -0.18 0.03 0.00 0.03 0.00 0.00 46.19 46.04 1sqj s LEU 450 CO 0.05 -0.19 -0.07 -0.60 0.23 0.00 0.00 176.35 175.77 1sqj s ARG 451 N 1.68 1.53 -0.41 1.70 6.06 -0.90 -4.90 118.95 123.71 1sqj s ARG 451 Ca -0.01 -0.30 -0.20 0.00 -2.50 0.00 0.00 55.73 52.73 1sqj s ARG 451 Cb -0.13 -1.66 0.02 0.00 0.06 0.00 0.00 34.95 33.24 1sqj s ARG 451 CO -0.03 -0.29 0.58 0.45 -2.50 0.00 0.00 175.30 173.51 1sqj s SER 452 N 1.69 6.31 0.87 -2.12 0.15 -1.26 -1.32 113.70 118.01 1sqj s SER 452 Ca 0.04 -0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.28 1sqj s SER 452 Cb -0.13 -2.29 0.11 0.00 -1.71 0.00 0.00 66.02 62.00 1sqj s SER 452 CO -0.08 -0.67 1.10 -2.84 1.20 0.00 0.00 173.24 171.95 1sqj s PRO 453 N 2.61 1.48 0.29 5.44 0.02 -1.26 -4.54 135.00 139.03 1sqj s PRO 453 Ca 0.20 1.14 0.25 0.00 0.02 0.00 0.00 61.00 62.61 1sqj s PRO 453 Cb -0.15 -1.81 0.66 0.00 0.02 0.00 0.00 34.50 33.22 1sqj s PRO 453 CO 0.17 -2.18 1.72 0.87 -0.33 0.00 0.00 177.00 177.25 1sqj h LYS 454 N -1.52 0.00 -3.30 5.54 1.57 -1.89 -3.41 116.57 113.56 1sqj h LYS 454 Ca -0.46 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.27 1sqj h LYS 454 Cb 1.26 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.44 1sqj h LYS 454 CO 0.50 0.00 -0.02 -1.54 -0.57 0.00 0.00 179.45 177.82 1sqj s SER 455 N -5.08 -0.30 0.24 0.86 1.04 -1.26 -4.73 113.70 104.47 1sqj s SER 455 Ca 0.09 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1sqj s SER 455 Cb 0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1sqj s SER 455 CO 0.62 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1sqj n GLY 456 N -0.21 1.17 3.77 7.32 0.00 -1.26 -4.77 105.19 111.21 1sqj n GLY 456 Ca -0.16 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 1sqj n GLY 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj s ALA 457 N -2.00 3.26 0.17 4.61 0.00 -1.26 -4.96 121.76 121.58 1sqj s ALA 457 Ca 0.00 1.29 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 1sqj s ALA 457 Cb 0.00 -3.51 0.13 0.00 0.00 0.00 0.00 23.12 19.73 1sqj s ALA 457 CO 0.00 -0.91 1.74 0.00 0.00 0.00 0.00 175.76 176.59 1sqj h ALA 458 N 2.59 0.52 -2.96 0.00 0.00 -1.73 -3.38 119.26 114.30 1sqj h ALA 458 Ca -0.50 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1sqj h ALA 458 Cb 1.25 0.05 -0.25 0.00 0.00 0.00 0.00 17.79 18.84 1sqj h ALA 458 CO 0.62 -0.25 -0.35 -1.17 0.00 0.00 0.00 179.25 178.10 1sqj s LEU 459 N -10.36 0.81 -0.08 0.00 2.96 -1.11 -4.22 118.68 106.68 1sqj s LEU 459 Ca -0.13 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1sqj s LEU 459 Cb 0.14 1.08 -0.02 0.00 0.50 0.00 0.00 46.19 47.88 1sqj s LEU 459 CO 0.72 -0.12 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.74 1sqj s LEU 460 N 0.10 2.77 0.18 -0.68 1.43 -0.44 0.30 118.68 122.34 1sqj s LEU 460 Ca -0.01 -0.23 0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1sqj s LEU 460 Cb -0.02 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1sqj s LEU 460 CO 0.01 0.29 -0.22 -0.94 0.23 0.00 0.00 176.35 175.71 1sqj s SER 461 N -0.37 3.11 -0.10 2.29 1.04 -0.93 -2.12 113.70 116.63 1sqj s SER 461 Ca 0.04 -0.85 -0.01 0.00 0.48 0.00 0.00 55.95 55.61 1sqj s SER 461 Cb -0.12 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.81 1sqj s SER 461 CO 0.02 0.07 -0.04 -0.83 0.98 0.00 0.00 173.24 173.44 1sqj s GLY 462 N -2.60 0.69 0.05 7.32 0.00 -0.32 -3.60 107.32 108.86 1sqj s GLY 462 Ca 0.18 -0.40 0.04 0.00 0.00 0.00 0.00 44.72 44.53 1sqj s GLY 462 CO 0.08 0.96 -0.12 -0.42 0.00 0.00 0.00 173.10 173.61 1sqj s ILE 463 N 1.81 0.90 0.31 0.90 1.01 0.40 -0.44 121.20 126.08 1sqj s ILE 463 Ca 0.05 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.29 1sqj s ILE 463 Cb -0.13 -0.87 -0.11 0.00 0.01 0.00 0.00 42.46 41.36 1sqj s ILE 463 CO -0.07 -0.21 1.58 -0.83 0.00 0.00 0.00 174.94 175.41 1sqj s GLY 464 N -1.47 2.25 0.00 6.18 0.00 -0.43 -2.08 107.32 111.76 1sqj s GLY 464 Ca -0.03 1.57 0.00 0.00 0.00 0.00 0.00 44.72 46.26 1sqj s GLY 464 CO 0.01 2.50 0.00 1.22 0.00 0.00 0.00 173.10 176.84 1sqj n ASP 465 N 1.90 0.00 -0.58 1.64 8.00 -0.95 -4.51 116.55 122.05 1sqj n ASP 465 Ca 0.07 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.63 1sqj n ASP 465 Cb 0.38 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.63 1sqj n ASP 465 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1sqj n ILE 466 N 0.00 1.68 0.00 0.53 -5.35 -0.85 -4.70 119.36 110.67 1sqj n ILE 466 Ca 0.00 -2.48 0.00 0.00 -0.27 0.00 0.00 62.75 60.00 1sqj n ILE 466 Cb 0.00 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1sqj n ILE 466 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1sqj n SER 467 N -0.91 0.00 -3.57 7.28 2.88 -0.08 -4.83 113.62 114.40 1sqj n SER 467 Ca 0.15 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.71 1sqj n SER 467 Cb 0.74 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.22 1sqj n SER 467 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sqj n GLY 468 N 0.00 0.33 3.16 0.46 0.00 -1.26 0.15 105.19 108.03 1sqj n GLY 468 Ca 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 1sqj n GLY 468 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sqj s MET 469 N -2.02 0.73 -0.45 1.61 -1.94 -1.24 -1.01 119.30 114.99 1sqj s MET 469 Ca 0.27 -0.98 -0.19 0.00 -1.71 0.00 0.00 55.69 53.08 1sqj s MET 469 Cb -0.01 0.29 0.03 0.00 2.01 0.00 0.00 34.83 37.15 1sqj s MET 469 CO 0.01 -0.20 0.54 0.21 -0.01 0.00 0.00 175.02 175.56 1sqj s LYS 470 N -3.62 3.15 -0.99 2.03 2.20 -1.26 -2.18 119.74 119.07 1sqj s LYS 470 Ca 0.03 -0.69 -0.14 0.00 -0.36 0.00 0.00 55.97 54.81 1sqj s LYS 470 Cb 0.04 -4.00 0.20 0.00 -1.51 0.00 0.00 37.83 32.57 1sqj s LYS 470 CO -0.09 -0.98 1.07 -1.01 -0.36 0.00 0.00 175.35 173.97 1sqj s HIS 471 N 2.43 3.65 0.27 4.03 3.76 0.15 -4.79 115.29 124.79 1sqj s HIS 471 Ca 0.16 -2.01 0.03 0.00 -0.15 0.00 0.00 55.06 53.09 1sqj s HIS 471 Cb -0.17 -4.05 0.36 0.00 1.11 0.00 0.00 32.58 29.84 1sqj s HIS 471 CO 0.15 -1.20 1.66 -0.44 -0.85 0.00 0.00 174.74 174.06 1sqj h ASP 472 N 7.70 0.41 -3.42 1.40 3.32 -1.93 -2.77 116.42 121.13 1sqj h ASP 472 Ca 0.18 -0.17 -0.57 0.00 0.02 0.00 0.00 57.03 56.49 1sqj h ASP 472 Cb 0.97 -0.11 -0.38 0.00 0.22 0.00 0.00 39.33 40.02 1sqj h ASP 472 CO 1.00 0.76 -0.78 -0.62 -1.72 0.00 0.00 179.24 177.88 1sqj s ASP 473 N -6.86 3.18 0.55 6.45 -1.08 -1.26 -4.53 116.67 113.13 1sqj s ASP 473 Ca -0.06 -0.86 0.34 0.00 -0.52 0.00 0.00 52.55 51.45 1sqj s ASP 473 Cb 0.13 -0.94 1.40 0.00 -1.46 0.00 0.00 42.92 42.04 1sqj s ASP 473 CO 0.79 -0.22 2.00 -0.07 0.52 0.00 0.00 175.17 178.18 1sqj h LEU 474 N 8.09 0.00 -0.47 -1.34 3.38 -1.95 -3.23 115.31 119.78 1sqj h LEU 474 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1sqj h LEU 474 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1sqj h LEU 474 CO 0.39 0.00 -0.29 0.35 0.09 0.00 0.00 178.44 178.99 1sqj n THR 475 N -3.09 0.00 -4.42 0.22 -2.24 -1.26 -0.42 114.28 103.06 1sqj n THR 475 Ca 0.00 -0.12 -0.20 0.00 -2.27 0.00 0.00 64.05 61.46 1sqj n THR 475 Cb 0.30 0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 68.79 1sqj n THR 475 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sqj s LYS 476 N -2.54 0.98 0.58 -0.78 1.02 -1.22 -4.74 119.74 113.04 1sqj s LYS 476 Ca 0.23 -0.33 -0.20 0.00 0.02 0.00 0.00 55.97 55.69 1sqj s LYS 476 Cb 0.19 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.54 1sqj s LYS 476 CO 0.54 0.14 1.13 -2.30 -0.92 0.00 0.00 175.35 173.93 1sqj n PRO 477 N 3.21 1.18 -4.47 -1.68 -0.02 -1.25 -4.72 135.00 127.25 1sqj n PRO 477 Ca -0.17 0.45 -0.26 0.00 -2.02 0.00 0.00 63.50 61.49 1sqj n PRO 477 Cb 0.55 -2.32 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 1sqj n PRO 477 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1sqj s GLN 478 N -2.82 1.96 0.47 -0.52 -1.52 -1.26 -4.69 119.66 111.28 1sqj s GLN 478 Ca 0.75 -1.93 -0.22 0.00 -1.95 0.00 0.00 55.36 52.01 1sqj s GLN 478 Cb -0.42 -1.77 -0.07 0.00 -0.22 0.00 0.00 33.01 30.52 1sqj s GLN 478 CO 0.47 0.07 1.14 0.15 -0.25 0.00 0.00 175.29 176.87 1sqj s LYS 479 N -3.69 3.74 0.57 2.91 -0.14 -1.26 -2.37 119.74 119.50 1sqj s LYS 479 Ca 0.34 1.70 -0.18 0.00 -1.36 0.00 0.00 55.97 56.47 1sqj s LYS 479 Cb 0.04 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 1sqj s LYS 479 CO 0.18 -0.55 1.11 1.41 -0.76 0.00 0.00 175.35 176.74 1sqj s MET 480 N -2.80 3.26 0.49 1.68 -2.45 -1.26 -4.42 119.30 113.79 1sqj s MET 480 Ca 0.65 1.49 -0.24 0.00 -1.25 0.00 0.00 55.69 56.34 1sqj s MET 480 Cb -0.26 -2.00 -0.07 0.00 1.25 0.00 0.00 34.83 33.74 1sqj s MET 480 CO 0.32 -0.90 1.38 -0.06 1.05 0.00 0.00 175.02 176.80 1sqj s PHE 481 N -2.01 2.43 0.00 4.11 2.99 -0.18 -4.96 117.98 120.36 1sqj s PHE 481 Ca 0.70 1.33 0.00 0.00 0.00 0.00 0.00 56.93 58.96 1sqj s PHE 481 Cb -0.21 -3.83 0.00 0.00 0.00 0.00 0.00 43.02 38.98 1sqj s PHE 481 CO 0.31 -2.79 0.00 0.41 -0.00 0.00 0.00 175.22 173.14 1sqj n GLY 482 N 0.64 -0.57 3.70 4.36 0.00 -1.26 -4.89 105.19 107.17 1sqj n GLY 482 Ca 0.07 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1sqj n GLY 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj n ALA 483 N -3.00 1.37 -1.77 4.61 0.00 -1.26 -4.20 120.51 116.26 1sqj n ALA 483 Ca 0.00 0.33 -0.38 0.00 0.00 0.00 0.00 53.44 53.39 1sqj n ALA 483 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 1sqj n ALA 483 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sqj s PRO 484 N -2.00 4.34 -0.30 0.00 0.04 -1.26 -4.59 135.00 131.23 1sqj s PRO 484 Ca 0.57 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 1sqj s PRO 484 Cb -0.54 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 1sqj s PRO 484 CO 0.61 -0.00 1.59 -1.14 0.04 0.00 0.00 177.00 178.10 1sqj s GLN 485 N -2.10 3.62 0.11 4.56 2.00 -1.26 -5.01 119.66 121.59 1sqj s GLN 485 Ca 0.53 1.39 -0.04 0.00 -2.00 0.00 0.00 55.36 55.23 1sqj s GLN 485 Cb -0.25 -4.06 -0.05 0.00 0.80 0.00 0.00 33.01 29.44 1sqj s GLN 485 CO 0.32 -1.50 0.34 -0.06 -0.50 0.00 0.00 175.29 173.89 1sqj s PHE 486 N 5.65 3.50 -0.01 1.67 0.08 -1.26 -4.60 117.98 123.01 1sqj s PHE 486 Ca 0.70 0.51 -0.00 0.00 0.12 0.00 0.00 56.93 58.26 1sqj s PHE 486 Cb -0.21 -1.97 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 1sqj s PHE 486 CO 0.31 0.48 -0.00 0.66 -0.10 0.00 0.00 175.22 176.57 1sqj h SER 487 N 3.02 0.00 -2.93 1.36 4.64 -1.64 -3.38 113.55 114.63 1sqj h SER 487 Ca -0.46 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.22 1sqj h SER 487 Cb 1.17 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.18 1sqj h SER 487 CO 0.72 0.06 -0.41 0.20 -0.87 0.00 0.00 176.83 176.54 1sqj s ASN 488 N -3.41 6.44 -0.39 4.97 0.01 -1.26 -0.90 114.94 120.40 1sqj s ASN 488 Ca -0.00 0.52 -0.12 0.00 -0.71 0.00 0.00 52.86 52.54 1sqj s ASN 488 Cb 0.00 -2.12 0.02 0.00 0.41 0.00 0.00 41.25 39.56 1sqj s ASN 488 CO 0.01 0.30 0.24 -0.22 -1.51 0.00 0.00 177.10 175.92 1sqj s LEU 489 N -0.54 4.86 0.04 0.60 0.20 -0.89 -1.47 118.68 121.50 1sqj s LEU 489 Ca 0.15 -0.95 -0.03 0.00 0.69 0.00 0.00 54.13 53.99 1sqj s LEU 489 Cb -0.13 -2.08 -0.28 0.00 -0.43 0.00 0.00 46.19 43.28 1sqj s LEU 489 CO 0.04 -0.41 1.02 0.44 -0.29 0.00 0.00 176.35 177.15 1sqj h ASP 490 N 8.51 0.39 -3.55 3.68 3.32 -1.38 -3.12 116.42 124.26 1sqj h ASP 490 Ca -0.26 -0.46 -0.13 0.00 0.02 0.00 0.00 57.03 56.20 1sqj h ASP 490 Cb 1.11 -0.13 -0.26 0.00 0.22 0.00 0.00 39.33 40.28 1sqj h ASP 490 CO 0.69 1.37 -0.30 -0.55 -1.72 0.00 0.00 179.24 178.73 1sqj s SER 491 N -7.04 -0.43 -0.03 6.45 0.15 -0.66 -4.20 113.70 107.95 1sqj s SER 491 Ca -0.06 0.80 -0.02 0.00 0.70 0.00 0.00 55.95 57.37 1sqj s SER 491 Cb 0.07 0.74 0.02 0.00 -1.71 0.00 0.00 66.02 65.14 1sqj s SER 491 CO 0.87 -0.16 0.06 -0.51 1.20 0.00 0.00 173.24 174.70 1sqj s ILE 492 N 0.80 -0.02 0.06 6.45 2.07 -1.26 -0.52 121.20 128.78 1sqj s ILE 492 Ca -0.05 0.07 -0.05 0.00 -1.41 0.00 0.00 60.65 59.21 1sqj s ILE 492 Cb -0.06 -0.11 -0.02 0.00 0.13 0.00 0.00 42.46 42.41 1sqj s ILE 492 CO -0.06 0.03 0.09 -0.62 -1.91 0.00 0.00 174.94 172.47 1sqj s ASP 493 N 0.40 0.24 0.00 4.50 2.15 -0.37 -4.44 116.67 119.15 1sqj s ASP 493 Ca -0.03 -0.69 0.01 0.00 0.43 0.00 0.00 52.55 52.27 1sqj s ASP 493 Cb -0.04 0.25 -0.00 0.00 -0.30 0.00 0.00 42.92 42.82 1sqj s ASP 493 CO -0.01 -0.59 -0.02 0.00 -0.17 0.00 0.00 175.17 174.37 1sqj s ALA 494 N -3.30 0.16 0.29 3.66 0.00 -1.26 -1.09 121.76 120.23 1sqj s ALA 494 Ca 0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 1sqj s ALA 494 Cb 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.00 1sqj s ALA 494 CO -0.08 0.03 1.57 0.00 0.00 0.00 0.00 175.76 177.28 1sqj s ALA 495 N -0.11 3.72 0.25 0.00 0.00 -0.41 -4.87 121.76 120.33 1sqj s ALA 495 Ca -0.00 1.54 -0.05 0.00 0.00 0.00 0.00 51.96 53.45 1sqj s ALA 495 Cb -0.01 -3.63 0.30 0.00 0.00 0.00 0.00 23.12 19.78 1sqj s ALA 495 CO -0.00 -0.96 1.91 0.78 0.00 0.00 0.00 175.76 177.49 1sqj h GLY 496 N 4.71 1.43 0.00 0.00 0.00 -1.79 -1.84 103.07 105.59 1sqj h GLY 496 Ca -0.47 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1sqj h GLY 496 CO 0.78 0.45 -0.89 0.70 0.00 0.00 0.00 176.54 177.58 1sqj n ASN 497 N -4.44 0.84 -3.32 0.19 3.02 -1.26 -4.61 115.26 105.69 1sqj n ASN 497 Ca 0.13 -0.71 -0.25 0.00 -0.03 0.00 0.00 54.58 53.72 1sqj n ASN 497 Cb 0.07 1.12 -0.08 0.00 -0.61 0.00 0.00 39.78 40.28 1sqj n ASN 497 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1sqj n PHE 498 N -1.48 0.33 0.41 3.10 3.01 -1.21 -4.87 117.46 116.76 1sqj n PHE 498 Ca 0.02 -3.64 0.04 0.00 1.01 0.00 0.00 57.45 54.88 1sqj n PHE 498 Cb 0.27 -0.25 0.20 0.00 -0.01 0.00 0.00 39.48 39.68 1sqj n PHE 498 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1sqj n PRO 499 N 1.69 0.18 0.27 -1.08 -0.02 -0.70 -0.05 135.00 135.30 1sqj n PRO 499 Ca 0.24 0.08 0.16 0.00 -2.02 0.00 0.00 63.50 61.97 1sqj n PRO 499 Cb 0.49 -1.50 0.69 0.00 -0.02 0.00 0.00 33.50 33.16 1sqj n PRO 499 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 1sqj h ASN 500 N 0.00 0.00 -3.54 2.55 -1.07 -1.86 -3.42 115.58 108.24 1sqj h ASN 500 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.76 1sqj h ASN 500 Cb 0.02 0.00 -0.12 0.00 -2.07 0.00 0.00 38.32 36.15 1sqj h ASN 500 CO 0.00 0.04 0.01 0.68 0.07 0.00 0.00 177.43 178.23 1sqj s VAL 501 N -3.72 5.06 -0.04 6.14 -7.23 0.93 -0.05 120.40 121.49 1sqj s VAL 501 Ca 0.00 0.94 0.05 0.00 -1.81 0.00 0.00 61.98 61.16 1sqj s VAL 501 Cb 0.10 -3.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.18 1sqj s VAL 501 CO 0.55 0.09 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.57 1sqj s VAL 502 N 2.21 1.46 0.00 1.32 1.01 -0.61 -1.29 120.40 124.50 1sqj s VAL 502 Ca 0.23 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1sqj s VAL 502 Cb -0.16 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1sqj s VAL 502 CO 0.09 0.42 -0.18 0.68 0.00 0.00 0.00 175.10 176.11 1sqj s VAL 503 N -0.04 2.76 0.01 2.92 -7.23 -0.25 -1.32 120.40 117.26 1sqj s VAL 503 Ca -0.02 -1.03 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 1sqj s VAL 503 Cb -0.11 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 1sqj s VAL 503 CO 0.02 0.46 -0.03 0.00 -0.31 0.00 0.00 175.10 175.23 1sqj s ARG 504 N -1.09 0.27 0.02 4.82 1.70 -0.28 -1.24 118.95 123.16 1sqj s ARG 504 Ca 0.13 -0.37 0.05 0.00 -0.47 0.00 0.00 55.73 55.07 1sqj s ARG 504 Cb -0.10 -0.09 -0.02 0.00 -0.57 0.00 0.00 34.95 34.16 1sqj s ARG 504 CO 0.03 0.01 -0.16 0.00 -1.08 0.00 0.00 175.30 174.10 1sqj s ALA 505 N -0.75 1.38 0.00 7.88 0.00 0.32 -1.24 121.76 129.36 1sqj s ALA 505 Ca -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1sqj s ALA 505 Cb -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1sqj s ALA 505 CO -0.00 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1sqj n GLY 506 N 2.21 3.18 3.15 0.00 0.00 -0.30 -0.96 105.19 112.47 1sqj n GLY 506 Ca -0.16 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1sqj n GLY 506 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sqj s SER 507 N 2.00 2.61 -0.10 1.61 0.15 -0.54 -4.72 113.70 114.71 1sqj s SER 507 Ca 0.00 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.10 1sqj s SER 507 Cb 0.00 -1.18 0.03 0.00 -1.71 0.00 0.00 66.02 63.16 1sqj s SER 507 CO 0.00 0.12 0.26 -0.55 1.20 0.00 0.00 173.24 174.27 1sqj s SER 508 N 0.44 -0.28 0.00 5.45 0.15 -1.26 -1.79 113.70 116.41 1sqj s SER 508 Ca -0.17 0.54 0.22 0.00 0.70 0.00 0.00 55.95 57.24 1sqj s SER 508 Cb -0.17 0.52 -0.07 0.00 -1.71 0.00 0.00 66.02 64.58 1sqj s SER 508 CO 0.07 -0.11 1.00 0.61 1.20 0.00 0.00 173.24 176.01 1sqj n GLY 509 N 3.26 -1.06 3.87 9.45 0.00 -1.26 -4.01 105.19 115.44 1sqj n GLY 509 Ca -0.16 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1sqj n GLY 509 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sqj s HIS 510 N -3.03 3.46 -0.12 1.61 5.04 -1.26 -4.94 115.29 116.05 1sqj s HIS 510 Ca 0.08 1.09 0.00 0.00 -1.54 0.00 0.00 55.06 54.69 1sqj s HIS 510 Cb 0.16 -2.48 -0.01 0.00 0.04 0.00 0.00 32.58 30.29 1sqj s HIS 510 CO 0.83 -0.12 -0.14 -1.21 -2.34 0.00 0.00 174.74 171.76 1sqj s GLU 511 N -3.83 3.33 -0.16 2.88 0.41 -1.26 -4.65 118.70 115.41 1sqj s GLU 511 Ca 0.52 -0.70 -0.08 0.00 -0.41 0.00 0.00 54.97 54.30 1sqj s GLU 511 Cb -0.10 -2.60 -0.04 0.00 -1.78 0.00 0.00 34.13 29.61 1sqj s GLU 511 CO 0.31 0.23 0.10 0.71 -0.49 0.00 0.00 175.26 176.12 1sqj s TYR 512 N 0.31 3.40 -0.06 1.61 1.51 -1.26 -5.05 117.35 117.80 1sqj s TYR 512 Ca -0.11 0.30 -0.39 0.00 -1.01 0.00 0.00 57.07 55.87 1sqj s TYR 512 Cb -0.16 -2.05 -0.18 0.00 -0.11 0.00 0.00 41.96 39.46 1sqj s TYR 512 CO 0.06 0.39 1.37 -0.25 -1.11 0.00 0.00 175.55 176.01 1sqj n ASP 513 N 3.00 1.33 -3.38 2.29 10.43 -1.26 -1.43 116.55 127.53 1sqj n ASP 513 Ca -0.17 1.13 -0.21 0.00 2.57 0.00 0.00 54.79 58.11 1sqj n ASP 513 Cb 0.53 -1.08 -0.03 0.00 1.84 0.00 0.00 41.12 42.38 1sqj n ASP 513 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1sqj n SER 514 N 2.94 -2.18 -4.02 -2.24 7.64 -1.26 -4.90 113.62 109.60 1sqj n SER 514 Ca 0.21 -0.31 -0.10 0.00 1.01 0.00 0.00 58.87 59.69 1sqj n SER 514 Cb 0.13 -1.89 -0.07 0.00 -1.01 0.00 0.00 64.21 61.36 1sqj n SER 514 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqj s ALA 515 N -2.68 0.19 -0.22 -0.43 0.00 -0.51 -4.62 121.76 113.48 1sqj s ALA 515 Ca 0.37 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1sqj s ALA 515 Cb -0.21 1.00 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1sqj s ALA 515 CO 0.46 -0.68 -0.11 0.00 0.00 0.00 0.00 175.76 175.43 1sqj n ALA 517 N 4.64 1.90 1.62 0.00 0.00 -1.26 -3.47 120.51 123.94 1sqj n ALA 517 Ca -0.18 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.33 1sqj n ALA 517 Cb 0.48 -1.26 0.65 0.00 0.00 0.00 0.00 19.45 19.31 1sqj n ALA 517 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sqj n ARG 518 N -1.29 1.35 -3.54 0.00 3.00 -1.26 -4.68 116.66 110.24 1sqj n ARG 518 Ca 0.08 -0.60 -0.11 0.00 -0.01 0.00 0.00 57.85 57.20 1sqj n ARG 518 Cb 0.13 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.07 1sqj n ARG 518 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1sqj s GLY 519 N -2.06 -0.43 0.18 -0.13 0.00 -1.23 -1.15 107.32 102.50 1sqj s GLY 519 Ca 0.39 0.20 -0.23 0.00 0.00 0.00 0.00 44.72 45.08 1sqj s GLY 519 CO 0.37 -0.09 0.75 0.00 0.00 0.00 0.00 173.10 174.13 1sqj s ALA 520 N -3.78 -1.51 0.06 3.20 0.00 -0.37 -2.49 121.76 116.87 1sqj s ALA 520 Ca 0.02 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1sqj s ALA 520 Cb 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1sqj s ALA 520 CO -0.12 -0.90 -0.09 1.52 0.00 0.00 0.00 175.76 176.17 1sqj s TYR 521 N -3.64 0.82 0.18 0.00 -0.85 -0.77 -1.13 117.35 111.97 1sqj s TYR 521 Ca 0.07 -0.56 0.09 0.00 -0.52 0.00 0.00 57.07 56.15 1sqj s TYR 521 Cb -0.03 -0.48 -0.04 0.00 0.38 0.00 0.00 41.96 41.79 1sqj s TYR 521 CO -0.03 -0.06 -0.19 0.00 -1.52 0.00 0.00 175.55 173.75 1sqj s ALA 522 N -1.76 2.18 -0.10 9.51 0.00 -0.44 -0.11 121.76 131.04 1sqj s ALA 522 Ca -0.04 -1.56 0.15 0.00 0.00 0.00 0.00 51.96 50.50 1sqj s ALA 522 Cb -0.07 -0.21 0.23 0.00 0.00 0.00 0.00 23.12 23.06 1sqj s ALA 522 CO -0.00 0.27 1.11 0.25 0.00 0.00 0.00 175.76 177.39 1sqj n THR 523 N 0.17 1.65 -0.81 0.00 -2.24 -1.25 -1.57 114.28 110.22 1sqj n THR 523 Ca -0.12 -1.95 0.08 0.00 -2.27 0.00 0.00 64.05 59.79 1sqj n THR 523 Cb 0.57 -0.08 0.13 0.00 -2.10 0.00 0.00 70.33 68.86 1sqj n THR 523 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sqj n ASP 524 N -1.22 2.57 0.00 3.42 3.85 -0.96 -4.48 116.55 119.74 1sqj n ASP 524 Ca 0.13 -2.82 0.00 0.00 -0.71 0.00 0.00 54.79 51.39 1sqj n ASP 524 Cb 0.58 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1sqj n ASP 524 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sqj n GLY 525 N -1.01 1.79 0.00 6.12 0.00 0.93 -4.64 105.19 108.38 1sqj n GLY 525 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1sqj n GLY 525 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 526 N -2.00 0.90 0.69 -0.02 0.00 -1.26 -4.91 105.19 98.59 1sqj n GLY 526 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1sqj n GLY 526 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqj n ASP 527 N 0.00 0.69 -4.60 1.61 8.00 -1.26 -4.74 116.55 116.25 1sqj n ASP 527 Ca 0.00 0.10 -0.43 0.00 0.71 0.00 0.00 54.79 55.17 1sqj n ASP 527 Cb 0.00 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 1sqj n ASP 527 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sqj s ALA 528 N -2.33 3.21 -0.11 2.24 0.00 -1.26 -4.68 121.76 118.83 1sqj s ALA 528 Ca -0.05 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 1sqj s ALA 528 Cb 0.01 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1sqj s ALA 528 CO 0.07 -2.14 0.09 -1.58 0.00 0.00 0.00 175.76 172.21 1sqj s TRP 529 N 4.27 3.45 -0.28 0.00 0.52 -1.26 -4.33 118.94 121.30 1sqj s TRP 529 Ca 0.46 0.41 -0.11 0.00 0.02 0.00 0.00 56.10 56.89 1sqj s TRP 529 Cb -0.08 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1sqj s TRP 529 CO 0.29 0.64 0.18 0.99 0.02 0.00 0.00 176.95 179.07 1sqj s THR 530 N -0.96 5.16 0.01 2.01 2.01 0.84 -4.93 115.64 119.77 1sqj s THR 530 Ca 0.14 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 1sqj s THR 530 Cb -0.12 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1sqj s THR 530 CO 0.03 0.24 1.36 -0.63 -0.69 0.00 0.00 174.62 174.93 1sqj s ILE 531 N 1.74 3.78 -0.03 1.82 1.01 -1.26 -1.85 121.20 126.40 1sqj s ILE 531 Ca 0.07 1.18 -0.37 0.00 0.00 0.00 0.00 60.65 61.52 1sqj s ILE 531 Cb -0.16 -3.76 -0.16 0.00 0.01 0.00 0.00 42.46 38.40 1sqj s ILE 531 CO 0.10 0.01 1.51 0.49 0.00 0.00 0.00 174.94 177.06 1sqj n PHE 532 N 5.13 1.79 -0.35 3.97 0.99 -1.04 -4.74 117.46 123.22 1sqj n PHE 532 Ca 0.12 0.54 0.09 0.00 -0.00 0.00 0.00 57.45 58.20 1sqj n PHE 532 Cb 0.44 -2.41 0.27 0.00 -1.00 0.00 0.00 39.48 36.78 1sqj n PHE 532 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1sqj h PRO 533 N 5.75 0.90 -4.73 -1.08 0.11 -1.82 0.34 132.00 131.47 1sqj h PRO 533 Ca -0.47 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.34 1sqj h PRO 533 Cb 1.32 -0.20 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 1sqj h PRO 533 CO 0.85 0.59 -0.69 0.95 -0.21 0.00 0.00 178.00 179.49 1sqj s THR 534 N -5.90 0.74 0.30 -1.15 -4.23 -0.94 -3.28 115.64 101.19 1sqj s THR 534 Ca -0.12 -1.96 0.11 0.00 -1.18 0.00 0.00 61.69 58.54 1sqj s THR 534 Cb 0.23 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 72.23 1sqj s THR 534 CO 0.81 -0.78 -0.11 0.00 -0.54 0.00 0.00 174.62 173.99 1sqj n PRO 536 N -0.75 0.48 -1.69 0.00 -0.02 -1.26 -4.87 135.00 126.89 1sqj n PRO 536 Ca -0.05 0.19 -0.40 0.00 -2.02 0.00 0.00 63.50 61.22 1sqj n PRO 536 Cb 0.61 -1.65 0.02 0.00 -0.02 0.00 0.00 33.50 32.46 1sqj n PRO 536 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1sqj n PRO 537 N 0.06 1.66 0.00 0.52 -0.04 -1.26 -2.16 135.00 133.78 1sqj n PRO 537 Ca 0.11 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1sqj n PRO 537 Cb 0.47 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1sqj n PRO 537 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sqj n GLY 538 N 0.92 3.25 2.53 0.55 0.00 -1.26 -4.98 105.19 106.19 1sqj n GLY 538 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1sqj n GLY 538 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sqj n MET 539 N -1.11 4.82 -2.77 1.61 2.81 -0.92 -4.42 117.12 117.13 1sqj n MET 539 Ca 0.00 -3.79 -0.15 0.00 -1.81 0.00 0.00 57.70 51.96 1sqj n MET 539 Cb 0.00 -2.59 0.00 0.00 -0.71 0.00 0.00 33.22 29.92 1sqj n MET 539 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1sqj n ASN 540 N 1.27 1.94 -0.26 7.83 2.04 -1.26 -4.66 115.26 122.16 1sqj n ASN 540 Ca 0.58 -2.06 0.24 0.00 -0.44 0.00 0.00 54.58 52.89 1sqj n ASN 540 Cb 0.25 -0.04 0.58 0.00 -2.53 0.00 0.00 39.78 38.04 1sqj n ASN 540 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1sqj h ALA 541 N 0.67 2.44 0.00 -2.53 0.00 -1.92 -2.02 119.26 115.90 1sqj h ALA 541 Ca -0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sqj h ALA 541 Cb 0.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1sqj h ALA 541 CO 0.30 -0.76 -0.09 0.77 0.00 0.00 0.00 179.25 179.48 1sqj h SER 542 N 0.27 0.00 -2.61 0.00 0.02 -1.91 -3.43 113.55 105.89 1sqj h SER 542 Ca 0.50 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.91 1sqj h SER 542 Cb 1.48 0.00 0.03 0.00 0.14 0.00 0.00 62.40 64.05 1sqj h SER 542 CO -0.15 0.01 1.05 -2.28 -1.14 0.00 0.00 176.83 174.32 1sqj s HIS 543 N -3.17 2.29 0.00 3.45 2.46 -0.76 -4.86 115.29 114.69 1sqj s HIS 543 Ca 0.08 0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.76 1sqj s HIS 543 Cb 0.09 -4.07 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 1sqj s HIS 543 CO 0.65 -4.37 0.17 2.48 -2.47 0.00 0.00 174.74 171.21 1sqj n TYR 544 N 5.62 0.00 1.68 3.88 4.11 -1.26 -4.81 117.16 126.39 1sqj n TYR 544 Ca 0.17 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.22 1sqj n TYR 544 Cb 0.39 0.00 0.84 0.00 -0.00 0.00 0.00 39.34 40.57 1sqj n TYR 544 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1sqj n GLN 545 N -0.42 0.69 0.00 -3.48 3.00 -1.26 -5.02 117.38 110.89 1sqj n GLN 545 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1sqj n GLN 545 Cb 0.03 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.77 1sqj n GLN 545 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sqj n GLY 546 N 1.16 -1.25 3.73 1.08 0.00 -1.26 -4.88 105.19 103.76 1sqj n GLY 546 Ca 0.19 -1.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.00 1sqj n GLY 546 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sqj s SER 547 N -4.00 -0.11 -0.10 1.61 1.04 -1.26 -4.46 113.70 106.42 1sqj s SER 547 Ca 0.00 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.11 1sqj s SER 547 Cb 0.00 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1sqj s SER 547 CO 0.00 -0.68 -0.13 -0.89 0.98 0.00 0.00 173.24 172.52 1sqj s THR 548 N -2.82 1.32 0.03 2.02 2.01 -0.21 -4.36 115.64 113.64 1sqj s THR 548 Ca 0.15 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.68 1sqj s THR 548 Cb 0.01 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1sqj s THR 548 CO 0.00 0.41 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.67 1sqj s ILE 549 N 1.11 2.91 0.03 1.82 2.07 -1.26 -0.10 121.20 127.78 1sqj s ILE 549 Ca -0.05 -1.10 0.01 0.00 -1.41 0.00 0.00 60.65 58.10 1sqj s ILE 549 Cb -0.14 -2.22 -0.02 0.00 0.13 0.00 0.00 42.46 40.20 1sqj s ILE 549 CO -0.03 0.36 -0.05 0.00 -1.91 0.00 0.00 174.94 173.32 1sqj s ALA 550 N -0.92 0.30 -0.07 1.50 0.00 0.22 -4.58 121.76 118.21 1sqj s ALA 550 Ca 0.15 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1sqj s ALA 550 Cb -0.11 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1sqj s ALA 550 CO 0.05 -0.12 -0.19 0.54 0.00 0.00 0.00 175.76 176.04 1sqj s VAL 551 N -1.56 1.62 0.56 0.00 0.11 -1.26 -1.26 120.40 118.60 1sqj s VAL 551 Ca -0.13 -0.78 -0.20 0.00 -2.93 0.00 0.00 61.98 57.94 1sqj s VAL 551 Cb -0.09 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.30 1sqj s VAL 551 CO -0.01 0.46 1.20 1.51 -3.33 0.00 0.00 175.10 174.94 1sqj s ASP 552 N 0.30 5.43 0.34 3.54 1.47 0.72 -4.60 116.67 123.87 1sqj s ASP 552 Ca -0.12 2.38 -0.28 0.00 1.18 0.00 0.00 52.55 55.71 1sqj s ASP 552 Cb -0.15 -2.60 -0.12 0.00 -0.34 0.00 0.00 42.92 39.71 1sqj s ASP 552 CO 0.05 -1.43 1.31 0.00 0.68 0.00 0.00 175.17 175.78 1sqj n ALA 553 N -1.32 1.38 0.00 2.11 0.00 -1.22 -0.51 120.51 120.94 1sqj n ALA 553 Ca 0.12 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1sqj n ALA 553 Cb 0.49 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1sqj n ALA 553 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sqj n SER 554 N 0.79 0.00 -4.06 0.00 3.41 -1.26 -3.93 113.62 108.56 1sqj n SER 554 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.35 1sqj n SER 554 Cb 0.36 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1sqj n SER 554 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sqj n GLY 555 N -2.00 -0.33 0.00 5.00 0.00 0.33 -4.82 105.19 103.37 1sqj n GLY 555 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1sqj n GLY 555 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sqj n SER 556 N -2.84 4.41 -4.22 1.61 3.41 -1.26 -4.99 113.62 109.74 1sqj n SER 556 Ca -0.13 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.18 1sqj n SER 556 Cb 0.59 0.64 -0.17 0.00 -0.26 0.00 0.00 64.21 65.02 1sqj n SER 556 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1sqj s GLN 557 N -1.83 2.60 -0.07 4.33 -0.21 -1.26 -4.48 119.66 118.74 1sqj s GLN 557 Ca 0.00 -0.83 0.03 0.00 0.02 0.00 0.00 55.36 54.57 1sqj s GLN 557 Cb 0.00 -2.10 0.01 0.00 1.00 0.00 0.00 33.01 31.92 1sqj s GLN 557 CO 0.00 0.27 -0.15 0.42 -2.12 0.00 0.00 175.29 173.71 1sqj s ILE 558 N 0.09 1.34 -0.09 1.08 1.01 0.20 -0.20 121.20 124.64 1sqj s ILE 558 Ca -0.10 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1sqj s ILE 558 Cb -0.15 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 1sqj s ILE 558 CO 0.05 0.40 -0.12 -0.69 0.00 0.00 0.00 174.94 174.58 1sqj s VAL 559 N 0.56 3.18 -0.23 2.92 1.01 -0.39 -0.95 120.40 126.49 1sqj s VAL 559 Ca -0.15 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1sqj s VAL 559 Cb -0.16 -2.29 0.10 0.00 0.00 0.00 0.00 36.38 34.03 1sqj s VAL 559 CO 0.05 0.56 0.21 0.86 0.00 0.00 0.00 175.10 176.78 1sqj s TRP 560 N -0.30 -0.17 -0.04 5.22 -0.00 0.02 0.69 118.94 124.35 1sqj s TRP 560 Ca 0.03 -0.08 -0.16 0.00 -0.00 0.00 0.00 56.10 55.89 1sqj s TRP 560 Cb -0.13 -0.50 -0.05 0.00 -0.00 0.00 0.00 33.47 32.79 1sqj s TRP 560 CO 0.03 -0.69 0.43 0.45 -0.00 0.00 0.00 176.95 177.16 1sqj s SER 561 N 2.28 6.75 0.00 5.86 0.15 0.85 -2.47 113.70 127.13 1sqj s SER 561 Ca 0.07 0.90 0.25 0.00 0.70 0.00 0.00 55.95 57.87 1sqj s SER 561 Cb -0.15 -2.26 0.44 0.00 -1.71 0.00 0.00 66.02 62.33 1sqj s SER 561 CO -0.20 0.21 1.38 0.35 1.20 0.00 0.00 173.24 176.18 1sqj n THR 562 N 2.51 0.00 -1.71 6.45 -2.24 -1.26 -1.04 114.28 116.99 1sqj n THR 562 Ca -0.12 -0.33 -0.18 0.00 -2.27 0.00 0.00 64.05 61.16 1sqj n THR 562 Cb 0.52 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 1sqj n THR 562 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sqj n LYS 563 N 0.44 -1.49 -3.05 -0.78 5.02 -1.21 -4.66 118.16 112.42 1sqj n LYS 563 Ca 0.14 1.00 -0.41 0.00 -2.02 0.00 0.00 58.31 57.02 1sqj n LYS 563 Cb 0.47 -5.40 -0.06 0.00 -0.02 0.00 0.00 35.03 30.03 1sqj n LYS 563 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sqj s LEU 564 N -4.67 4.07 0.43 -0.35 1.43 -1.26 -4.94 118.68 113.40 1sqj s LEU 564 Ca 0.00 0.76 0.10 0.00 -1.03 0.00 0.00 54.13 53.96 1sqj s LEU 564 Cb 0.00 -2.94 0.95 0.00 0.03 0.00 0.00 46.19 44.23 1sqj s LEU 564 CO 0.00 -0.42 2.06 0.44 0.23 0.00 0.00 176.35 178.65 1sqj h ASP 565 N 7.88 0.31 0.57 2.29 5.19 -1.92 -2.63 116.42 128.11 1sqj h ASP 565 Ca -0.26 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1sqj h ASP 565 Cb 1.11 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1sqj h ASP 565 CO 0.80 0.26 0.00 -0.62 -3.12 0.00 0.00 179.24 176.57 1sqj n GLU 566 N -4.46 0.02 -3.45 3.56 4.71 -1.26 -4.72 120.64 115.04 1sqj n GLU 566 Ca 0.01 0.20 -0.43 0.00 -0.01 0.00 0.00 57.16 56.93 1sqj n GLU 566 Cb 0.10 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 28.94 1sqj n GLU 566 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1sqj s GLN 567 N -2.97 2.96 -1.56 3.49 -0.21 -0.99 -4.96 119.66 115.42 1sqj s GLN 567 Ca 0.09 -1.11 -0.11 0.00 0.02 0.00 0.00 55.36 54.25 1sqj s GLN 567 Cb 0.11 -4.01 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 1sqj s GLN 567 CO 0.31 -0.82 2.68 0.00 -2.12 0.00 0.00 175.29 175.34 1sqj n ALA 568 N 5.16 6.82 -3.61 6.09 0.00 -1.26 -4.12 120.51 129.60 1sqj n ALA 568 Ca -0.11 -3.67 -0.12 0.00 0.00 0.00 0.00 53.44 49.53 1sqj n ALA 568 Cb 0.46 -3.42 -0.07 0.00 0.00 0.00 0.00 19.45 16.43 1sqj n ALA 568 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sqj s SER 569 N 2.48 -0.57 1.08 0.00 0.15 -0.24 -4.85 113.70 111.75 1sqj s SER 569 Ca 0.61 0.97 -0.15 0.00 0.70 0.00 0.00 55.95 58.08 1sqj s SER 569 Cb 0.16 0.94 0.23 0.00 -1.71 0.00 0.00 66.02 65.64 1sqj s SER 569 CO -0.07 -0.29 1.10 -0.83 1.20 0.00 0.00 173.24 174.35 1sqj s GLY 570 N -0.15 1.57 0.05 9.45 0.00 -1.09 -2.13 107.32 115.02 1sqj s GLY 570 Ca -0.01 -0.60 -0.34 0.00 0.00 0.00 0.00 44.72 43.77 1sqj s GLY 570 CO 0.00 0.12 1.67 -1.05 0.00 0.00 0.00 173.10 173.84 1sqj n PRO 571 N -4.40 2.06 -1.71 2.90 -0.02 -1.26 -4.61 135.00 127.96 1sqj n PRO 571 Ca 0.08 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.93 1sqj n PRO 571 Cb 0.58 -2.53 0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1sqj n PRO 571 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1sqj n TRP 572 N 4.55 1.84 -4.25 6.00 7.02 -1.03 -4.54 117.44 127.03 1sqj n TRP 572 Ca 0.19 0.43 -0.19 0.00 -1.02 0.00 0.00 57.50 56.91 1sqj n TRP 572 Cb 0.28 -2.27 -0.11 0.00 -2.42 0.00 0.00 31.31 26.78 1sqj n TRP 572 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 1sqj s TYR 573 N -1.38 1.47 -0.13 -5.99 -0.85 -0.69 -0.80 117.35 108.98 1sqj s TYR 573 Ca 0.78 -0.51 -0.08 0.00 -0.52 0.00 0.00 57.07 56.74 1sqj s TYR 573 Cb -0.40 -0.78 0.05 0.00 0.38 0.00 0.00 41.96 41.21 1sqj s TYR 573 CO 0.44 0.16 0.32 0.45 -1.52 0.00 0.00 175.55 175.40 1sqj s SER 574 N -2.29 -0.36 -0.02 -0.18 0.15 -0.13 -1.80 113.70 109.08 1sqj s SER 574 Ca 0.07 0.67 0.03 0.00 0.70 0.00 0.00 55.95 57.42 1sqj s SER 574 Cb -0.06 0.59 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 1sqj s SER 574 CO 0.03 -0.16 1.03 1.41 1.20 0.00 0.00 173.24 176.76 1sqj n HIS 575 N 3.83 0.01 -2.60 3.44 8.25 -1.26 -0.62 115.22 126.27 1sqj n HIS 575 Ca -0.21 -0.57 -0.14 0.00 -0.26 0.00 0.00 57.72 56.54 1sqj n HIS 575 Cb 0.55 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.62 1sqj n HIS 575 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1sqj n ASP 576 N -0.60 2.54 -4.14 0.41 3.85 -1.26 -4.88 116.55 112.45 1sqj n ASP 576 Ca 0.03 -2.97 -0.39 0.00 -0.71 0.00 0.00 54.79 50.74 1sqj n ASP 576 Cb 0.31 -0.50 -0.03 0.00 -1.35 0.00 0.00 41.12 39.56 1sqj n ASP 576 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1sqj n TYR 577 N -0.26 -1.38 -0.76 2.11 4.01 -1.26 -1.77 117.16 117.84 1sqj n TYR 577 Ca 0.19 0.32 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 1sqj n TYR 577 Cb 0.78 -2.87 0.00 0.00 -0.31 0.00 0.00 39.34 36.94 1sqj n TYR 577 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sqj n GLY 578 N -2.26 1.14 0.34 2.72 0.00 -1.26 -4.72 105.19 101.15 1sqj n GLY 578 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 1sqj n GLY 578 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqj h LYS 579 N 3.14 1.02 -3.85 1.61 1.57 -1.65 -2.49 116.57 115.92 1sqj h LYS 579 Ca 0.00 -0.13 -0.41 0.00 -1.87 0.00 0.00 60.65 58.24 1sqj h LYS 579 Cb 0.00 -0.19 -0.36 0.00 0.08 0.00 0.00 32.23 31.76 1sqj h LYS 579 CO 0.00 0.77 -0.77 0.99 -0.57 0.00 0.00 179.45 179.88 1sqj s THR 580 N -5.62 0.43 -0.16 -0.16 2.01 -1.26 -4.56 115.64 106.31 1sqj s THR 580 Ca -0.11 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1sqj s THR 580 Cb 0.17 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 72.16 1sqj s THR 580 CO 0.80 0.23 -0.16 0.26 -0.69 0.00 0.00 174.62 175.06 1sqj s TRP 581 N 1.38 2.78 0.32 4.92 0.52 -1.26 -4.21 118.94 123.38 1sqj s TRP 581 Ca -0.04 -1.20 0.03 0.00 0.02 0.00 0.00 56.10 54.91 1sqj s TRP 581 Cb -0.13 -1.90 -0.06 0.00 -1.15 0.00 0.00 33.47 30.23 1sqj s TRP 581 CO -0.03 -0.57 0.07 -1.54 0.02 0.00 0.00 176.95 174.91 1sqj s SER 582 N 0.97 2.14 -0.00 2.95 1.04 -0.75 -4.94 113.70 115.11 1sqj s SER 582 Ca -0.03 -1.41 -0.17 0.00 0.48 0.00 0.00 55.95 54.83 1sqj s SER 582 Cb -0.15 0.02 -0.06 0.00 0.10 0.00 0.00 66.02 65.94 1sqj s SER 582 CO -0.03 -0.66 0.48 -0.69 0.98 0.00 0.00 173.24 173.32 1sqj s VAL 583 N -3.39 4.96 0.41 5.02 1.01 -1.26 -1.71 120.40 125.43 1sqj s VAL 583 Ca 0.36 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 63.30 1sqj s VAL 583 Cb 0.08 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1sqj s VAL 583 CO 0.15 0.51 0.68 -2.16 0.00 0.00 0.00 175.10 174.28 1sqj s PRO 584 N -0.69 3.56 0.56 2.72 0.04 -1.26 -4.95 135.00 134.97 1sqj s PRO 584 Ca 0.26 0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.42 1sqj s PRO 584 Cb -0.17 -2.50 0.07 0.00 0.04 0.00 0.00 34.50 31.93 1sqj s PRO 584 CO 0.15 -0.02 0.64 0.00 0.04 0.00 0.00 177.00 177.81 1sqj s ALA 585 N -2.48 4.60 0.00 8.56 0.00 -0.30 -4.71 121.76 127.43 1sqj s ALA 585 Ca 0.45 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1sqj s ALA 585 Cb -0.10 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.82 1sqj s ALA 585 CO 0.39 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1sqj n GLY 586 N -2.05 -0.64 0.16 0.00 0.00 -1.26 -1.24 105.19 100.15 1sqj n GLY 586 Ca 0.09 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 44.23 1sqj n GLY 586 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sqj h ASP 587 N 0.00 0.00 -3.47 1.61 3.32 -0.15 -3.43 116.42 114.30 1sqj h ASP 587 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1sqj h ASP 587 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1sqj h ASP 587 CO 0.00 0.49 0.18 -0.22 -1.72 0.00 0.00 179.24 177.96 1sqj s LEU 588 N -7.07 4.54 -0.25 1.55 2.96 -1.26 -4.91 118.68 114.24 1sqj s LEU 588 Ca 0.00 -0.45 0.10 0.00 -0.22 0.00 0.00 54.13 53.56 1sqj s LEU 588 Cb 0.11 -2.70 0.46 0.00 0.50 0.00 0.00 46.19 44.57 1sqj s LEU 588 CO 0.72 -0.87 1.35 0.29 -1.32 0.00 0.00 176.35 176.52 1sqj n LYS 589 N 6.42 1.72 -3.86 1.98 5.02 -1.26 -2.66 118.16 125.52 1sqj n LYS 589 Ca -0.02 -3.23 -0.11 0.00 -2.02 0.00 0.00 58.31 52.93 1sqj n LYS 589 Cb 0.47 -1.72 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 1sqj n LYS 589 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sqj s ALA 590 N -3.24 -0.32 -1.45 7.82 0.00 -1.01 -1.08 121.76 122.48 1sqj s ALA 590 Ca 0.41 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 1sqj s ALA 590 Cb 0.39 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 1sqj s ALA 590 CO -0.03 -0.18 2.53 1.04 0.00 0.00 0.00 175.76 179.12 1sqj n GLN 591 N 1.81 3.09 -1.94 0.00 1.13 -0.91 -4.07 117.38 116.49 1sqj n GLN 591 Ca -0.20 -2.29 -0.37 0.00 -1.94 0.00 0.00 57.00 52.19 1sqj n GLN 591 Cb 0.56 -2.99 0.04 0.00 0.11 0.00 0.00 30.24 27.96 1sqj n GLN 591 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1sqj s THR 592 N 2.88 2.45 0.30 5.09 -1.32 -1.26 -3.34 115.64 120.44 1sqj s THR 592 Ca 0.57 0.30 0.07 0.00 -1.21 0.00 0.00 61.69 61.42 1sqj s THR 592 Cb 0.16 -3.13 0.04 0.00 -1.51 0.00 0.00 72.50 68.05 1sqj s THR 592 CO -0.06 -0.04 1.71 0.00 -2.21 0.00 0.00 174.62 174.02 1sqj h ALA 593 N 1.12 1.13 -2.06 11.08 0.00 -1.93 -3.42 119.26 125.19 1sqj h ALA 593 Ca -0.51 -0.41 -0.76 0.00 0.00 0.00 0.00 54.91 53.24 1sqj h ALA 593 Cb 1.30 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 1sqj h ALA 593 CO 0.56 0.58 0.95 -0.80 0.00 0.00 0.00 179.25 180.55 1sqj s ASN 594 N -6.88 7.12 -0.01 0.00 0.01 -1.26 -4.69 114.94 109.23 1sqj s ASN 594 Ca -0.04 -3.14 0.02 0.00 -0.71 0.00 0.00 52.86 48.99 1sqj s ASN 594 Cb 0.13 -2.33 -0.00 0.00 0.41 0.00 0.00 41.25 39.46 1sqj s ASN 594 CO 0.77 -0.60 -0.07 0.68 -1.51 0.00 0.00 177.10 176.37 1sqj s VAL 595 N 0.58 0.57 0.00 1.60 -7.23 -1.26 -1.00 120.40 113.67 1sqj s VAL 595 Ca 0.37 -0.30 -0.27 0.00 -1.81 0.00 0.00 61.98 59.97 1sqj s VAL 595 Cb -0.06 -0.49 0.06 0.00 0.56 0.00 0.00 36.38 36.46 1sqj s VAL 595 CO -0.04 0.17 0.60 -1.48 -0.31 0.00 0.00 175.10 174.04 1sqj s LEU 596 N -0.10 -0.39 0.11 1.32 2.34 -0.43 -4.84 118.68 116.69 1sqj s LEU 596 Ca 0.02 0.44 -0.11 0.00 0.06 0.00 0.00 54.13 54.54 1sqj s LEU 596 Cb -0.04 2.35 -0.06 0.00 -0.56 0.00 0.00 46.19 47.88 1sqj s LEU 596 CO -0.00 -0.67 0.45 -0.94 -1.06 0.00 0.00 176.35 174.13 1sqj s SER 597 N -1.59 6.69 0.50 1.48 1.04 -1.26 -0.80 113.70 119.76 1sqj s SER 597 Ca -0.08 0.88 -0.22 0.00 0.48 0.00 0.00 55.95 57.00 1sqj s SER 597 Cb -0.01 -2.21 -0.06 0.00 0.10 0.00 0.00 66.02 63.84 1sqj s SER 597 CO 0.04 0.14 1.27 -0.62 0.98 0.00 0.00 173.24 175.05 1sqj s ASP 598 N -1.78 5.71 0.00 7.02 -1.08 -0.90 -4.88 116.67 120.77 1sqj s ASP 598 Ca 0.35 2.56 0.21 0.00 -0.52 0.00 0.00 52.55 55.15 1sqj s ASP 598 Cb -0.14 -2.62 0.14 0.00 -1.46 0.00 0.00 42.92 38.84 1sqj s ASP 598 CO 0.19 -1.25 1.15 0.29 0.52 0.00 0.00 175.17 176.07 1sqj n LYS 599 N -0.74 1.88 0.00 4.34 4.76 -1.26 -3.43 118.16 123.71 1sqj n LYS 599 Ca 0.09 -1.63 0.00 0.00 -2.87 0.00 0.00 58.31 53.90 1sqj n LYS 599 Cb 0.46 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1sqj n LYS 599 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1sqj n VAL 600 N 0.98 0.00 -2.67 -0.18 0.31 -1.26 -4.11 118.33 111.40 1sqj n VAL 600 Ca 0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.03 1sqj n VAL 600 Cb 0.52 -0.69 -0.04 0.00 -0.91 0.00 0.00 33.84 32.72 1sqj n VAL 600 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1sqj s GLN 601 N -1.82 4.59 0.68 5.55 2.00 -1.26 -4.88 119.66 124.52 1sqj s GLN 601 Ca 0.00 1.49 -0.17 0.00 -2.00 0.00 0.00 55.36 54.69 1sqj s GLN 601 Cb 0.00 -3.41 0.01 0.00 0.80 0.00 0.00 33.01 30.42 1sqj s GLN 601 CO 0.00 0.02 1.25 -0.51 -0.50 0.00 0.00 175.29 175.55 1sqj s ASP 602 N 0.61 4.42 -1.79 6.67 1.01 -1.26 -3.97 116.67 122.36 1sqj s ASP 602 Ca 0.51 2.50 0.00 0.00 0.71 0.00 0.00 52.55 56.27 1sqj s ASP 602 Cb -0.23 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.09 1sqj s ASP 602 CO 0.29 -2.12 0.00 0.61 0.21 0.00 0.00 175.17 174.16 1sqj n GLY 603 N 0.67 1.61 3.62 0.21 0.00 -1.25 -4.93 105.19 105.13 1sqj n GLY 603 Ca 0.15 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1sqj n GLY 603 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqj s THR 604 N -2.45 4.05 0.01 2.61 2.01 -1.25 0.11 115.64 120.72 1sqj s THR 604 Ca 0.00 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 1sqj s THR 604 Cb 0.00 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 1sqj s THR 604 CO 0.00 0.58 0.00 -0.36 -0.69 0.00 0.00 174.62 174.16 1sqj s PHE 605 N -0.65 0.11 0.27 4.92 0.40 -0.40 -2.11 117.98 120.50 1sqj s PHE 605 Ca 0.10 -0.21 0.10 0.00 -0.60 0.00 0.00 56.93 56.32 1sqj s PHE 605 Cb -0.12 -0.08 -0.05 0.00 0.51 0.00 0.00 43.02 43.28 1sqj s PHE 605 CO 0.02 -0.10 -0.17 0.71 0.70 0.00 0.00 175.22 176.38 1sqj s TYR 606 N -0.69 2.13 0.03 0.36 2.02 0.02 -0.45 117.35 120.78 1sqj s TYR 606 Ca -0.08 -0.43 -0.28 0.00 -0.37 0.00 0.00 57.07 55.92 1sqj s TYR 606 Cb -0.05 -0.98 0.07 0.00 -0.40 0.00 0.00 41.96 40.60 1sqj s TYR 606 CO -0.00 0.59 0.65 0.00 -1.57 0.00 0.00 175.55 175.22 1sqj s ALA 607 N -2.66 -1.70 0.08 3.71 0.00 -0.45 -1.31 121.76 119.42 1sqj s ALA 607 Ca 0.28 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.29 1sqj s ALA 607 Cb -0.03 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1sqj s ALA 607 CO 0.13 -0.53 -0.18 0.95 0.00 0.00 0.00 175.76 176.13 1sqj s THR 608 N -2.24 1.44 -0.29 0.00 -4.23 -0.17 -0.33 115.64 109.81 1sqj s THR 608 Ca -0.06 -1.35 -0.27 0.00 -1.18 0.00 0.00 61.69 58.83 1sqj s THR 608 Cb -0.00 -1.32 0.19 0.00 1.34 0.00 0.00 72.50 72.71 1sqj s THR 608 CO 0.00 -0.07 1.38 -0.62 -0.54 0.00 0.00 174.62 174.78 1sqj s ASP 609 N -1.65 -0.06 -1.32 3.99 3.68 -0.86 -4.42 116.67 116.02 1sqj s ASP 609 Ca 0.03 0.10 0.00 0.00 2.13 0.00 0.00 52.55 54.81 1sqj s ASP 609 Cb -0.10 0.09 0.00 0.00 -1.45 0.00 0.00 42.92 41.47 1sqj s ASP 609 CO 0.03 -0.04 0.00 0.61 0.13 0.00 0.00 175.17 175.90 1sqj n GLY 610 N 1.06 1.19 1.24 2.66 0.00 -1.26 0.41 105.19 110.49 1sqj n GLY 610 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1sqj n GLY 610 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 611 N -0.19 0.73 3.87 -0.02 0.00 -1.24 -4.92 105.19 103.42 1sqj n GLY 611 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1sqj n GLY 611 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqj s LYS 612 N -0.56 2.96 0.01 1.61 -0.14 0.17 -4.32 119.74 119.47 1sqj s LYS 612 Ca 0.00 -1.08 -0.00 0.00 -1.36 0.00 0.00 55.97 53.53 1sqj s LYS 612 Cb 0.00 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.50 1sqj s LYS 612 CO 0.00 0.28 0.08 0.12 -0.76 0.00 0.00 175.35 175.08 1sqj s PHE 613 N -2.17 3.28 -0.01 3.18 5.36 -1.26 -2.03 117.98 124.34 1sqj s PHE 613 Ca 0.37 0.20 0.03 0.00 -0.96 0.00 0.00 56.93 56.56 1sqj s PHE 613 Cb -0.08 -1.73 -0.01 0.00 -0.34 0.00 0.00 43.02 40.87 1sqj s PHE 613 CO 0.27 0.55 -0.10 -0.06 -1.46 0.00 0.00 175.22 174.41 1sqj s PHE 614 N -1.22 0.92 0.03 10.12 0.08 0.55 -2.05 117.98 126.39 1sqj s PHE 614 Ca 0.24 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 57.16 1sqj s PHE 614 Cb -0.12 -0.59 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 1sqj s PHE 614 CO 0.15 -0.02 -0.14 0.08 -0.10 0.00 0.00 175.22 175.20 1sqj s VAL 615 N -0.26 1.11 -0.05 -0.44 1.01 -0.77 -1.35 120.40 119.66 1sqj s VAL 615 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1sqj s VAL 615 Cb -0.04 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1sqj s VAL 615 CO -0.00 0.08 -0.06 -0.55 0.00 0.00 0.00 175.10 174.57 1sqj s SER 616 N -0.93 1.05 0.00 3.32 0.15 0.41 -1.50 113.70 116.20 1sqj s SER 616 Ca 0.03 -0.15 0.19 0.00 0.70 0.00 0.00 55.95 56.72 1sqj s SER 616 Cb -0.07 -0.50 0.15 0.00 -1.71 0.00 0.00 66.02 63.89 1sqj s SER 616 CO 0.01 -0.04 1.11 0.41 1.20 0.00 0.00 173.24 175.93 1sqj n THR 617 N 3.99 0.00 1.22 6.45 -1.04 -1.26 -1.28 114.28 122.37 1sqj n THR 617 Ca -0.25 -0.50 0.13 0.00 -2.04 0.00 0.00 64.05 61.39 1sqj n THR 617 Cb 0.51 1.40 0.66 0.00 -1.82 0.00 0.00 70.33 71.08 1sqj n THR 617 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1sqj n ASP 618 N 1.09 0.00 -2.05 8.00 -0.08 -1.24 -4.69 116.55 117.58 1sqj n ASP 618 Ca 0.11 -0.01 -0.16 0.00 -1.51 0.00 0.00 54.79 53.22 1sqj n ASP 618 Cb 0.48 -0.32 0.01 0.00 2.34 0.00 0.00 41.12 43.63 1sqj n ASP 618 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sqj n GLY 619 N 1.05 -0.25 1.46 0.27 0.00 0.29 -3.51 105.19 104.51 1sqj n GLY 619 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1sqj n GLY 619 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 620 N -1.17 0.81 0.24 -0.02 0.00 -1.26 -4.75 105.19 99.04 1sqj n GLY 620 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1sqj n GLY 620 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqj h LYS 621 N 3.93 0.84 -3.32 1.61 1.57 -1.95 -3.42 116.57 115.83 1sqj h LYS 621 Ca 0.00 -0.49 -0.15 0.00 -1.87 0.00 0.00 60.65 58.13 1sqj h LYS 621 Cb 0.00 0.04 -0.23 0.00 0.08 0.00 0.00 32.23 32.13 1sqj h LYS 621 CO 0.00 1.13 -0.45 -1.54 -0.57 0.00 0.00 179.45 178.02 1sqj s SER 622 N -6.81 -0.11 -0.06 0.86 1.04 -1.26 -1.15 113.70 106.21 1sqj s SER 622 Ca -0.11 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.43 1sqj s SER 622 Cb 0.10 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1sqj s SER 622 CO 0.87 -0.26 -0.11 -0.31 0.98 0.00 0.00 173.24 174.41 1sqj s TYR 623 N -0.78 2.81 -0.14 5.02 1.51 -0.37 -4.47 117.35 120.93 1sqj s TYR 623 Ca -0.09 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 1sqj s TYR 623 Cb -0.05 -1.67 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1sqj s TYR 623 CO 0.01 0.23 -0.21 0.00 -1.11 0.00 0.00 175.55 174.47 1sqj s ALA 624 N -0.71 2.29 0.04 3.71 0.00 -0.56 0.66 121.76 127.19 1sqj s ALA 624 Ca 0.11 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 1sqj s ALA 624 Cb -0.11 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 21.91 1sqj s ALA 624 CO 0.01 0.03 1.95 0.00 0.00 0.00 0.00 175.76 177.76 1sqj s ALA 625 N 0.72 3.60 0.00 0.00 0.00 -1.26 -1.85 121.76 122.97 1sqj s ALA 625 Ca -0.09 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1sqj s ALA 625 Cb -0.16 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1sqj s ALA 625 CO 0.00 -1.54 0.00 1.63 0.00 0.00 0.00 175.76 175.85 1sqj n LYS 626 N 7.37 0.00 -2.24 0.00 5.02 -0.87 -4.98 118.16 122.46 1sqj n LYS 626 Ca 0.20 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.43 1sqj n LYS 626 Cb 0.41 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.44 1sqj n LYS 626 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sqj n GLY 627 N 2.22 -0.07 3.75 0.72 0.00 -0.86 -4.43 105.19 106.52 1sqj n GLY 627 Ca 0.00 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1sqj n GLY 627 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj s ALA 628 N -3.15 3.44 0.00 4.61 0.00 0.21 -3.37 121.76 123.50 1sqj s ALA 628 Ca 0.17 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1sqj s ALA 628 Cb -0.02 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1sqj s ALA 628 CO 0.32 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1sqj n GLY 629 N 1.45 2.14 3.59 0.00 0.00 -1.26 0.12 105.19 111.23 1sqj n GLY 629 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1sqj n GLY 629 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqj s LEU 630 N 0.00 3.55 0.28 0.99 2.96 -1.22 -4.78 118.68 120.47 1sqj s LEU 630 Ca 0.00 0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 54.12 1sqj s LEU 630 Cb 0.00 -3.42 -0.14 0.00 0.50 0.00 0.00 46.19 43.14 1sqj s LEU 630 CO 0.00 -1.42 1.18 0.52 -1.32 0.00 0.00 176.35 175.31 1sqj n VAL 631 N 6.91 1.68 -2.42 1.68 0.31 -1.26 -4.92 118.33 120.32 1sqj n VAL 631 Ca 0.13 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.62 1sqj n VAL 631 Cb 0.49 -1.23 -0.03 0.00 -0.91 0.00 0.00 33.84 32.16 1sqj n VAL 631 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1sqj s THR 632 N -0.79 3.92 0.00 2.52 2.01 -1.26 -4.92 115.64 117.12 1sqj s THR 632 Ca 0.61 1.44 0.00 0.00 0.31 0.00 0.00 61.69 64.05 1sqj s THR 632 Cb -0.67 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 67.92 1sqj s THR 632 CO 0.58 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 175.26 1sqj n GLY 633 N 2.93 2.21 3.70 4.40 0.00 -1.26 -4.86 105.19 112.31 1sqj n GLY 633 Ca 0.08 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1sqj n GLY 633 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqj s THR 634 N -2.21 3.42 -0.24 2.61 2.01 -1.26 -3.67 115.64 116.31 1sqj s THR 634 Ca 0.00 0.94 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 1sqj s THR 634 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1sqj s THR 634 CO 0.00 0.04 1.56 -0.44 -0.69 0.00 0.00 174.62 175.09 1sqj s SER 635 N 1.53 6.43 0.33 3.53 0.01 -1.26 -4.58 113.70 119.69 1sqj s SER 635 Ca 0.65 1.53 0.09 0.00 1.31 0.00 0.00 55.95 59.53 1sqj s SER 635 Cb -0.35 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.30 1sqj s SER 635 CO 0.29 -1.23 0.04 -0.76 0.41 0.00 0.00 173.24 171.99 1sqj s LEU 636 N 5.07 3.07 0.00 2.44 1.43 -1.26 -4.94 118.68 124.49 1sqj s LEU 636 Ca 0.69 -0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1sqj s LEU 636 Cb -0.23 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 1sqj s LEU 636 CO 0.28 -0.22 1.59 -0.32 0.23 0.00 0.00 176.35 177.92 1sqj s MET 637 N -3.74 4.21 0.71 1.70 -2.45 -1.26 -4.78 119.30 113.69 1sqj s MET 637 Ca 0.35 2.19 -0.11 0.00 -1.25 0.00 0.00 55.69 56.87 1sqj s MET 637 Cb -0.02 -3.75 0.02 0.00 1.25 0.00 0.00 34.83 32.33 1sqj s MET 637 CO 0.20 -0.74 1.07 -2.14 1.05 0.00 0.00 175.02 174.45 1sqj s PRO 638 N 3.17 2.79 -0.03 4.11 0.02 -1.26 -4.56 135.00 139.23 1sqj s PRO 638 Ca 0.71 0.83 0.03 0.00 0.02 0.00 0.00 61.00 62.59 1sqj s PRO 638 Cb -0.35 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1sqj s PRO 638 CO 0.30 -1.17 -0.12 0.00 -0.33 0.00 0.00 177.00 175.68 1sqj s ALA 639 N -3.10 1.10 0.01 -1.55 0.00 0.03 -4.95 121.76 113.30 1sqj s ALA 639 Ca 0.58 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1sqj s ALA 639 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1sqj s ALA 639 CO 0.55 0.18 0.07 0.14 0.00 0.00 0.00 175.76 176.70 1sqj s VAL 640 N 0.17 4.64 0.02 0.00 -7.23 -1.26 0.24 120.40 116.97 1sqj s VAL 640 Ca -0.04 -0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 59.34 1sqj s VAL 640 Cb -0.10 -3.14 -0.08 0.00 0.56 0.00 0.00 36.38 33.62 1sqj s VAL 640 CO 0.01 0.31 1.82 0.21 -0.31 0.00 0.00 175.10 177.14 1sqj s ASN 641 N -1.85 6.54 0.51 4.85 3.04 0.67 -4.41 114.94 124.29 1sqj s ASN 641 Ca 0.24 2.51 0.29 0.00 0.04 0.00 0.00 52.86 55.94 1sqj s ASN 641 Cb -0.12 -2.54 1.33 0.00 -1.54 0.00 0.00 41.25 38.38 1sqj s ASN 641 CO 0.15 -0.99 1.99 1.55 -3.04 0.00 0.00 177.10 176.77 1sqj h PRO 642 N 9.85 0.00 -0.34 0.43 0.13 -1.87 -3.26 132.00 136.95 1sqj h PRO 642 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1sqj h PRO 642 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1sqj h PRO 642 CO 0.94 0.12 0.00 0.91 -0.23 0.00 0.00 178.00 179.75 1sqj n TRP 643 N -3.40 0.44 -3.71 1.56 7.02 -1.26 -4.42 117.44 113.67 1sqj n TRP 643 Ca -0.01 -0.43 -0.11 0.00 -1.02 0.00 0.00 57.50 55.93 1sqj n TRP 643 Cb 0.30 -0.02 -0.12 0.00 -2.42 0.00 0.00 31.31 29.06 1sqj n TRP 643 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1sqj s VAL 644 N -1.01 -0.03 0.51 -0.99 1.01 -1.23 -5.03 120.40 113.64 1sqj s VAL 644 Ca 0.24 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 1sqj s VAL 644 Cb 0.13 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 35.94 1sqj s VAL 644 CO 0.17 0.05 1.36 0.00 0.00 0.00 0.00 175.10 176.68 1sqj s ALA 645 N 1.30 2.95 -1.10 5.51 0.00 -1.26 -3.36 121.76 125.79 1sqj s ALA 645 Ca -0.09 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1sqj s ALA 645 Cb -0.09 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1sqj s ALA 645 CO -0.11 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 174.82 1sqj n GLY 646 N 0.66 0.89 3.36 0.00 0.00 -1.26 -4.85 105.19 103.99 1sqj n GLY 646 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 1sqj n GLY 646 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sqj s ASP 647 N -1.90 6.18 -0.02 1.61 3.68 -1.21 -2.19 116.67 122.81 1sqj s ASP 647 Ca 0.00 -1.50 0.01 0.00 2.13 0.00 0.00 52.55 53.19 1sqj s ASP 647 Cb 0.00 -2.22 0.02 0.00 -1.45 0.00 0.00 42.92 39.27 1sqj s ASP 647 CO 0.00 -0.82 -0.01 0.54 0.13 0.00 0.00 175.17 175.01 1sqj s VAL 648 N 1.86 0.18 0.05 1.11 0.11 -0.77 -0.23 120.40 122.70 1sqj s VAL 648 Ca 0.06 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1sqj s VAL 648 Cb -0.26 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1sqj s VAL 648 CO 0.06 0.12 -0.01 0.26 -3.33 0.00 0.00 175.10 172.19 1sqj s TRP 649 N 0.69 3.00 -0.12 1.54 0.52 0.14 -1.84 118.94 122.87 1sqj s TRP 649 Ca -0.07 0.00 -0.04 0.00 0.02 0.00 0.00 56.10 56.02 1sqj s TRP 649 Cb -0.10 -1.59 0.05 0.00 -1.15 0.00 0.00 33.47 30.68 1sqj s TRP 649 CO -0.01 0.46 0.10 0.08 0.02 0.00 0.00 176.95 177.60 1sqj s VAL 650 N -1.18 -0.14 -0.17 4.03 1.01 0.70 -0.79 120.40 123.86 1sqj s VAL 650 Ca 0.22 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 1sqj s VAL 650 Cb -0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1sqj s VAL 650 CO 0.14 -0.06 0.96 -2.16 0.00 0.00 0.00 175.10 173.98 1sqj s PRO 651 N 2.19 4.33 -0.27 2.72 0.04 -1.26 -1.25 135.00 141.50 1sqj s PRO 651 Ca 0.04 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.37 1sqj s PRO 651 Cb -0.14 -3.58 0.06 0.00 0.04 0.00 0.00 34.50 30.88 1sqj s PRO 651 CO -0.07 -0.42 -0.09 0.08 0.04 0.00 0.00 177.00 176.54 1sqj s VAL 652 N 2.44 2.23 0.67 -0.36 1.01 -0.78 -4.25 120.40 121.36 1sqj s VAL 652 Ca 0.44 -1.69 0.44 0.00 0.00 0.00 0.00 61.98 61.17 1sqj s VAL 652 Cb -0.17 -2.34 0.44 0.00 0.00 0.00 0.00 36.38 34.31 1sqj s VAL 652 CO 0.12 -0.09 2.36 -0.65 0.00 0.00 0.00 175.10 176.85 1sqj h PRO 653 N 7.77 0.00 -0.00 2.72 0.11 -1.82 0.28 132.00 141.05 1sqj h PRO 653 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1sqj h PRO 653 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1sqj h PRO 653 CO 0.47 0.00 -0.80 0.39 -0.21 0.00 0.00 178.00 177.85 1sqj n GLU 654 N -3.10 0.27 0.00 1.05 4.71 -1.26 -4.64 120.64 117.67 1sqj n GLU 654 Ca -0.03 -0.22 0.00 0.00 -0.01 0.00 0.00 57.16 56.90 1sqj n GLU 654 Cb 0.08 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 1sqj n GLU 654 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sqj n GLY 655 N 1.48 0.00 0.00 0.62 0.00 -0.32 -5.07 105.19 101.90 1sqj n GLY 655 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1sqj n GLY 655 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqj n GLY 656 N 2.67 0.32 3.75 -0.02 0.00 0.82 -5.02 105.19 107.71 1sqj n GLY 656 Ca 0.00 -2.29 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 1sqj n GLY 656 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqj s LEU 657 N 0.00 4.31 -0.04 0.99 2.96 -1.19 -1.86 118.68 123.85 1sqj s LEU 657 Ca 0.00 0.76 0.06 0.00 -0.22 0.00 0.00 54.13 54.73 1sqj s LEU 657 Cb 0.00 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 1sqj s LEU 657 CO 0.00 0.09 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.55 1sqj s PHE 658 N 0.25 2.00 -0.08 5.38 0.40 -0.38 -1.39 117.98 124.15 1sqj s PHE 658 Ca 0.23 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1sqj s PHE 658 Cb -0.15 -1.32 0.02 0.00 0.51 0.00 0.00 43.02 42.09 1sqj s PHE 658 CO 0.09 -0.14 -0.08 -1.58 0.70 0.00 0.00 175.22 174.21 1sqj s HIS 659 N -0.20 1.31 -0.01 0.36 2.46 -0.56 -0.22 115.29 118.44 1sqj s HIS 659 Ca 0.00 -0.55 0.07 0.00 0.47 0.00 0.00 55.06 55.06 1sqj s HIS 659 Cb -0.11 -1.06 -0.02 0.00 -0.13 0.00 0.00 32.58 31.26 1sqj s HIS 659 CO 0.02 -0.36 -0.23 0.45 -2.47 0.00 0.00 174.74 172.14 1sqj s SER 660 N 1.21 3.31 0.00 9.88 0.15 -0.76 -1.65 113.70 125.84 1sqj s SER 660 Ca -0.05 -0.44 0.12 0.00 0.70 0.00 0.00 55.95 56.29 1sqj s SER 660 Cb -0.14 -0.44 0.10 0.00 -1.71 0.00 0.00 66.02 63.83 1sqj s SER 660 CO -0.02 0.31 0.90 0.35 1.20 0.00 0.00 173.24 175.98 1sqj n THR 661 N 2.22 0.03 -2.15 6.45 -2.24 -1.25 -1.85 114.28 115.49 1sqj n THR 661 Ca -0.16 -0.51 -0.26 0.00 -2.27 0.00 0.00 64.05 60.84 1sqj n THR 661 Cb 0.51 1.24 0.02 0.00 -2.10 0.00 0.00 70.33 70.00 1sqj n THR 661 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sqj n ASP 662 N 0.69 5.03 -1.54 3.42 5.68 -1.20 -4.56 116.55 124.07 1sqj n ASP 662 Ca 0.07 -3.74 -0.15 0.00 -0.50 0.00 0.00 54.79 50.47 1sqj n ASP 662 Cb 0.31 -0.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.84 1sqj n ASP 662 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1sqj n PHE 663 N -0.64 -0.46 -0.81 2.11 3.01 -0.93 -2.37 117.46 117.37 1sqj n PHE 663 Ca 0.43 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.89 1sqj n PHE 663 Cb 0.84 -3.00 0.00 0.00 -0.01 0.00 0.00 39.48 37.30 1sqj n PHE 663 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sqj n GLY 664 N -1.05 0.56 0.09 1.37 0.00 -1.26 -4.93 105.19 99.96 1sqj n GLY 664 Ca -0.17 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1sqj n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj h ALA 665 N 0.00 -0.08 -4.26 4.61 0.00 -1.87 -2.30 119.26 115.37 1sqj h ALA 665 Ca 0.00 -0.25 -0.60 0.00 0.00 0.00 0.00 54.91 54.06 1sqj h ALA 665 Cb 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 17.79 17.52 1sqj h ALA 665 CO 0.00 -0.27 -0.85 0.45 0.00 0.00 0.00 179.25 178.57 1sqj s SER 666 N -5.63 2.40 -0.02 0.00 0.15 -1.26 -0.61 113.70 108.72 1sqj s SER 666 Ca -0.15 -0.38 0.07 0.00 0.70 0.00 0.00 55.95 56.19 1sqj s SER 666 Cb 0.01 -0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.90 1sqj s SER 666 CO 0.62 0.23 -0.23 -0.36 1.20 0.00 0.00 173.24 174.70 1sqj s PHE 667 N -0.32 2.10 -0.04 3.44 0.08 0.33 -4.33 117.98 119.23 1sqj s PHE 667 Ca 0.04 -0.43 0.07 0.00 0.12 0.00 0.00 56.93 56.72 1sqj s PHE 667 Cb -0.09 -1.36 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 1sqj s PHE 667 CO 0.00 -0.06 -0.24 -0.08 -0.10 0.00 0.00 175.22 174.74 1sqj s THR 668 N -0.47 1.95 0.08 0.64 -1.32 -0.66 -4.26 115.64 111.61 1sqj s THR 668 Ca 0.07 -1.03 -0.31 0.00 -1.21 0.00 0.00 61.69 59.21 1sqj s THR 668 Cb -0.10 -1.64 -0.07 0.00 -1.51 0.00 0.00 72.50 69.18 1sqj s THR 668 CO -0.00 0.55 1.36 -0.60 -2.21 0.00 0.00 174.62 173.72 1sqj s ARG 669 N -0.31 4.33 -0.01 7.08 3.52 -1.26 -1.49 118.95 130.81 1sqj s ARG 669 Ca 0.01 2.00 0.05 0.00 -0.13 0.00 0.00 55.73 57.66 1sqj s ARG 669 Cb -0.12 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1sqj s ARG 669 CO 0.02 -0.44 -0.14 0.14 -0.81 0.00 0.00 175.30 174.07 1sqj s VAL 670 N 1.43 3.11 0.00 7.11 -7.23 -0.49 -4.96 120.40 119.37 1sqj s VAL 670 Ca 0.63 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.92 1sqj s VAL 670 Cb -0.34 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1sqj s VAL 670 CO 0.29 0.47 0.00 0.61 -0.31 0.00 0.00 175.10 176.16 1sqj n GLY 671 N 1.90 1.03 0.07 2.32 0.00 -1.25 -4.28 105.19 104.97 1sqj n GLY 671 Ca -0.16 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.28 1sqj n GLY 671 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1sqj n THR 672 N 0.00 0.93 -3.16 2.61 5.66 -1.26 -4.97 114.28 114.09 1sqj n THR 672 Ca 0.00 -1.03 -0.39 0.00 -3.05 0.00 0.00 64.05 59.58 1sqj n THR 672 Cb 0.00 0.40 -0.06 0.00 -1.55 0.00 0.00 70.33 69.13 1sqj n THR 672 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sqj s ALA 673 N -1.19 3.51 -0.26 1.79 0.00 -1.16 -3.55 121.76 120.89 1sqj s ALA 673 Ca 0.08 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1sqj s ALA 673 Cb 0.07 -2.77 0.06 0.00 0.00 0.00 0.00 23.12 20.48 1sqj s ALA 673 CO 0.01 0.27 -0.10 1.21 0.00 0.00 0.00 175.76 177.15 1sqj s ASN 674 N -0.73 4.47 0.04 0.00 3.04 0.04 -3.15 114.94 118.65 1sqj s ASN 674 Ca 0.32 -1.42 0.09 0.00 0.04 0.00 0.00 52.86 51.89 1sqj s ASN 674 Cb -0.20 -1.56 -0.03 0.00 -1.54 0.00 0.00 41.25 37.93 1sqj s ASN 674 CO 0.20 -0.20 -0.26 0.00 -3.04 0.00 0.00 177.10 173.81 1sqj s ALA 675 N 1.10 2.21 -0.21 1.71 0.00 -1.26 -0.86 121.76 124.45 1sqj s ALA 675 Ca -0.08 -1.24 0.20 0.00 0.00 0.00 0.00 51.96 50.84 1sqj s ALA 675 Cb -0.20 -0.48 -0.29 0.00 0.00 0.00 0.00 23.12 22.15 1sqj s ALA 675 CO -0.05 0.53 0.52 0.25 0.00 0.00 0.00 175.76 177.00 1sqj n THR 676 N 1.87 0.00 -3.87 0.00 -2.24 -0.13 -4.58 114.28 105.33 1sqj n THR 676 Ca -0.17 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.13 1sqj n THR 676 Cb 0.52 0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 1sqj n THR 676 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sqj s LEU 677 N -4.08 1.54 -0.06 3.22 1.43 -1.18 -4.83 118.68 114.72 1sqj s LEU 677 Ca -0.04 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1sqj s LEU 677 Cb 0.13 0.66 0.02 0.00 0.03 0.00 0.00 46.19 47.03 1sqj s LEU 677 CO 0.82 -0.33 0.26 0.54 0.23 0.00 0.00 176.35 177.87 1sqj s VAL 678 N -1.22 0.03 -0.07 -1.59 0.11 -1.26 -1.05 120.40 115.35 1sqj s VAL 678 Ca -0.13 -0.28 -0.19 0.00 -2.93 0.00 0.00 61.98 58.44 1sqj s VAL 678 Cb -0.07 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1sqj s VAL 678 CO 0.01 -0.15 0.45 -0.55 -3.33 0.00 0.00 175.10 171.53 1sqj s SER 679 N -0.61 -0.40 -0.12 3.54 0.15 0.66 -4.60 113.70 112.32 1sqj s SER 679 Ca -0.07 0.51 0.01 0.00 0.70 0.00 0.00 55.95 57.10 1sqj s SER 679 Cb -0.04 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1sqj s SER 679 CO 0.02 -0.40 -0.17 -0.69 1.20 0.00 0.00 173.24 173.20 1sqj s VAL 680 N -0.81 2.70 0.00 4.45 1.01 -1.26 0.11 120.40 126.60 1sqj s VAL 680 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1sqj s VAL 680 Cb -0.03 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1sqj s VAL 680 CO 0.05 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1sqj n GLY 681 N 3.53 4.80 3.79 4.51 0.00 -0.44 -4.44 105.19 116.94 1sqj n GLY 681 Ca -0.18 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 1sqj n GLY 681 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj s ALA 682 N -2.10 3.04 0.56 4.61 0.00 -1.00 -4.11 121.76 122.76 1sqj s ALA 682 Ca 0.00 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 1sqj s ALA 682 Cb 0.00 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1sqj s ALA 682 CO 0.00 -0.18 1.02 -1.25 0.00 0.00 0.00 175.76 175.35 1sqj s PRO 683 N -2.69 3.65 0.24 0.00 0.05 -1.26 -2.13 135.00 132.86 1sqj s PRO 683 Ca 0.60 1.03 -0.29 0.00 0.05 0.00 0.00 61.00 62.39 1sqj s PRO 683 Cb -0.19 -2.09 -0.15 0.00 0.05 0.00 0.00 34.50 32.12 1sqj s PRO 683 CO 0.24 -0.53 0.83 1.17 0.05 0.00 0.00 177.00 178.77 1sqj n LYS 684 N -1.90 0.79 -3.68 4.56 4.81 -1.26 -4.68 118.16 116.79 1sqj n LYS 684 Ca 0.07 0.28 -0.29 0.00 -0.87 0.00 0.00 58.31 57.50 1sqj n LYS 684 Cb 0.54 -1.51 -0.13 0.00 0.02 0.00 0.00 35.03 33.94 1sqj n LYS 684 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1sqj s SER 685 N -0.68 3.52 0.00 3.14 0.15 -1.26 -4.60 113.70 113.97 1sqj s SER 685 Ca 0.62 -2.65 0.00 0.00 0.70 0.00 0.00 55.95 54.62 1sqj s SER 685 Cb -0.81 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 1sqj s SER 685 CO 0.58 -0.26 0.00 -1.54 1.20 0.00 0.00 173.24 173.22 1sqj n SER 693 N 3.50 0.00 -4.19 5.45 3.41 -1.26 -5.21 113.62 115.32 1sqj n SER 693 Ca 0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.56 1sqj n SER 693 Cb 0.35 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.19 1sqj n SER 693 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqj s ALA 694 N -0.28 1.19 -2.00 7.33 0.00 -1.26 -5.07 121.76 121.67 1sqj s ALA 694 Ca 0.00 -1.18 0.22 0.00 0.00 0.00 0.00 51.96 51.00 1sqj s ALA 694 Cb 0.00 -0.01 1.31 0.00 0.00 0.00 0.00 23.12 24.42 1sqj s ALA 694 CO 0.00 0.02 1.75 -0.35 0.00 0.00 0.00 175.76 177.17 1sqj n PRO 695 N 0.65 0.83 -0.81 0.00 -0.04 -1.26 -4.75 135.00 129.62 1sqj n PRO 695 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1sqj n PRO 695 Cb 0.57 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1sqj n PRO 695 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1sqj n SER 696 N -0.91 -1.69 -4.59 3.54 3.41 -1.26 -4.91 113.62 107.22 1sqj n SER 696 Ca 0.16 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.31 1sqj n SER 696 Cb 0.08 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.16 1sqj n SER 696 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqj n ALA 697 N 0.47 -0.40 -3.34 7.33 0.00 -0.90 -4.74 120.51 118.92 1sqj n ALA 697 Ca 0.00 0.42 -0.33 0.00 0.00 0.00 0.00 53.44 53.53 1sqj n ALA 697 Cb 0.00 -2.03 -0.15 0.00 0.00 0.00 0.00 19.45 17.27 1sqj n ALA 697 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sqj s VAL 698 N -0.63 2.86 -0.15 0.00 1.01 -0.18 -1.33 120.40 121.97 1sqj s VAL 698 Ca 0.65 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1sqj s VAL 698 Cb -0.76 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1sqj s VAL 698 CO 0.56 0.51 -0.05 -0.36 0.00 0.00 0.00 175.10 175.76 1sqj s PHE 699 N 0.74 3.00 0.13 5.22 0.08 0.12 -0.31 117.98 126.95 1sqj s PHE 699 Ca -0.06 -0.35 0.11 0.00 0.12 0.00 0.00 56.93 56.75 1sqj s PHE 699 Cb -0.15 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 1sqj s PHE 699 CO 0.01 -0.06 -0.26 0.96 -0.10 0.00 0.00 175.22 175.77 1sqj s ILE 700 N 0.37 2.32 -0.23 0.64 -4.36 -0.53 -0.25 121.20 119.17 1sqj s ILE 700 Ca -0.05 -1.75 -0.08 0.00 -0.26 0.00 0.00 60.65 58.52 1sqj s ILE 700 Cb -0.14 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 1sqj s ILE 700 CO 0.03 0.08 0.08 0.86 0.24 0.00 0.00 174.94 176.24 1sqj s TRP 701 N -1.10 3.16 0.00 1.37 -0.11 -0.22 -1.14 118.94 120.90 1sqj s TRP 701 Ca 0.15 -0.17 0.00 0.00 1.22 0.00 0.00 56.10 57.30 1sqj s TRP 701 Cb -0.10 -2.19 0.00 0.00 -1.50 0.00 0.00 33.47 29.68 1sqj s TRP 701 CO 0.07 -0.14 0.00 0.41 -4.62 0.00 0.00 176.95 172.67 1sqj n GLY 702 N 4.41 0.03 3.15 5.86 0.00 0.71 -0.96 105.19 118.39 1sqj n GLY 702 Ca -0.16 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 1sqj n GLY 702 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqj s THR 703 N -1.13 1.43 0.09 2.61 -4.23 -0.04 0.20 115.64 114.57 1sqj s THR 703 Ca 0.00 -0.74 0.22 0.00 -1.18 0.00 0.00 61.69 59.99 1sqj s THR 703 Cb 0.00 -1.21 0.20 0.00 1.34 0.00 0.00 72.50 72.83 1sqj s THR 703 CO 0.00 0.41 1.76 -2.24 -0.54 0.00 0.00 174.62 174.01 1sqj h ASP 704 N 6.04 0.00 -5.00 3.99 2.03 -1.85 0.15 116.42 121.78 1sqj h ASP 704 Ca -0.34 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 55.98 1sqj h ASP 704 Cb 1.16 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.58 1sqj h ASP 704 CO 0.48 0.28 0.22 -1.59 -1.03 0.00 0.00 179.24 177.60 1sqj s LYS 705 N -3.55 1.51 0.31 4.15 -2.85 -1.23 -3.01 119.74 115.07 1sqj s LYS 705 Ca 0.01 -0.71 -0.30 0.00 -1.00 0.00 0.00 55.97 53.98 1sqj s LYS 705 Cb 0.10 0.60 -0.12 0.00 -2.06 0.00 0.00 37.83 36.35 1sqj s LYS 705 CO 0.66 -0.68 1.55 -0.35 0.10 0.00 0.00 175.35 176.63 1sqj n PRO 706 N -0.42 2.65 0.00 1.78 -0.04 -1.26 -2.18 135.00 135.52 1sqj n PRO 706 Ca -0.11 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1sqj n PRO 706 Cb 0.62 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1sqj n PRO 706 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sqj n GLY 707 N 1.69 1.75 3.80 0.55 0.00 -1.26 -5.05 105.19 106.68 1sqj n GLY 707 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1sqj n GLY 707 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqj s SER 708 N -2.04 6.60 0.49 1.61 0.01 -0.93 -5.03 113.70 114.41 1sqj s SER 708 Ca 0.00 1.89 -0.24 0.00 1.31 0.00 0.00 55.95 58.91 1sqj s SER 708 Cb 0.00 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1sqj s SER 708 CO 0.00 -0.60 1.35 -1.81 0.41 0.00 0.00 173.24 172.59 1sqj s ASP 709 N -1.94 5.70 0.17 2.44 -0.00 -1.26 -4.89 116.67 116.89 1sqj s ASP 709 Ca 0.64 2.75 -0.31 0.00 -0.00 0.00 0.00 52.55 55.63 1sqj s ASP 709 Cb -0.16 -2.64 -0.09 0.00 -0.00 0.00 0.00 42.92 40.04 1sqj s ASP 709 CO 0.20 -1.27 1.40 -0.63 -0.00 0.00 0.00 175.17 174.86 1sqj s ILE 710 N -1.29 3.08 0.00 0.77 1.01 -1.26 -4.54 121.20 118.98 1sqj s ILE 710 Ca 0.65 0.83 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1sqj s ILE 710 Cb -0.40 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1sqj s ILE 710 CO 0.49 0.09 0.00 0.61 0.00 0.00 0.00 174.94 176.14 1sqj n GLY 711 N 3.01 0.98 3.63 6.18 0.00 0.13 -4.93 105.19 114.19 1sqj n GLY 711 Ca 0.10 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1sqj n GLY 711 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqj s LEU 712 N 0.00 3.89 0.08 0.99 2.96 -1.26 -0.21 118.68 125.13 1sqj s LEU 712 Ca 0.00 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1sqj s LEU 712 Cb 0.00 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1sqj s LEU 712 CO 0.00 0.14 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.73 1sqj s TYR 713 N 0.61 1.13 -0.08 5.38 2.02 -0.29 -0.91 117.35 125.21 1sqj s TYR 713 Ca 0.05 -0.52 0.04 0.00 -0.37 0.00 0.00 57.07 56.26 1sqj s TYR 713 Cb -0.13 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.79 1sqj s TYR 713 CO 0.01 0.04 -0.19 0.50 -1.57 0.00 0.00 175.55 174.34 1sqj s ARG 714 N -2.07 2.77 -0.14 -0.62 3.52 -0.18 -1.46 118.95 120.78 1sqj s ARG 714 Ca -0.00 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.83 1sqj s ARG 714 Cb -0.08 -2.35 -0.00 0.00 -1.56 0.00 0.00 34.95 30.96 1sqj s ARG 714 CO 0.02 0.41 -0.18 0.45 -0.81 0.00 0.00 175.30 175.18 1sqj s SER 715 N -0.19 3.49 -0.22 -2.12 0.15 0.57 -1.33 113.70 114.06 1sqj s SER 715 Ca -0.01 -0.49 0.15 0.00 0.70 0.00 0.00 55.95 56.30 1sqj s SER 715 Cb -0.13 -1.51 0.72 0.00 -1.71 0.00 0.00 66.02 63.38 1sqj s SER 715 CO 0.03 0.12 1.64 0.47 1.20 0.00 0.00 173.24 176.69 1sqj n ASP 716 N 3.84 5.07 -2.72 5.45 8.00 -1.26 -1.01 116.55 133.92 1sqj n ASP 716 Ca -0.19 -2.98 -0.05 0.00 0.71 0.00 0.00 54.79 52.28 1sqj n ASP 716 Cb 0.52 -0.64 0.07 0.00 -0.02 0.00 0.00 41.12 41.05 1sqj n ASP 716 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1sqj n ASP 717 N 0.19 0.37 -2.61 -2.24 3.85 -1.26 -4.45 116.55 110.40 1sqj n ASP 717 Ca 0.26 -2.41 -0.11 0.00 -0.71 0.00 0.00 54.79 51.82 1sqj n ASP 717 Cb 1.10 -0.03 -0.01 0.00 -1.35 0.00 0.00 41.12 40.84 1sqj n ASP 717 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1sqj n ASN 718 N -0.52 -3.02 0.00 -1.12 5.03 -1.26 -3.42 115.26 110.94 1sqj n ASN 718 Ca 0.02 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.66 1sqj n ASN 718 Cb 0.83 -2.60 0.00 0.00 -1.02 0.00 0.00 39.78 36.99 1sqj n ASN 718 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sqj n GLY 719 N -0.77 1.19 0.12 7.41 0.00 -1.26 -4.93 105.19 106.95 1sqj n GLY 719 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 1sqj n GLY 719 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sqj n SER 720 N 0.00 1.61 -4.47 1.61 7.64 -1.22 -3.96 113.62 114.84 1sqj n SER 720 Ca 0.00 0.22 -0.30 0.00 1.01 0.00 0.00 58.87 59.80 1sqj n SER 720 Cb 0.00 -0.47 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 1sqj n SER 720 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1sqj s THR 721 N -2.56 2.76 -0.03 0.44 2.01 -1.26 -4.84 115.64 112.15 1sqj s THR 721 Ca -0.18 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.40 1sqj s THR 721 Cb 0.07 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.38 1sqj s THR 721 CO 0.77 0.17 -0.00 0.26 -0.69 0.00 0.00 174.62 175.13 1sqj s TRP 722 N -1.06 0.32 -0.10 4.92 0.52 -1.26 -4.38 118.94 117.90 1sqj s TRP 722 Ca 0.16 -0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.26 1sqj s TRP 722 Cb -0.10 -0.40 -0.03 0.00 -1.15 0.00 0.00 33.47 31.78 1sqj s TRP 722 CO 0.08 -0.12 -0.03 -0.08 0.02 0.00 0.00 176.95 176.82 1sqj s THR 723 N 0.96 4.04 0.08 2.01 -1.32 -0.44 -4.94 115.64 116.03 1sqj s THR 723 Ca -0.10 -0.34 -0.30 0.00 -1.21 0.00 0.00 61.69 59.74 1sqj s THR 723 Cb -0.13 -2.71 -0.06 0.00 -1.51 0.00 0.00 72.50 68.10 1sqj s THR 723 CO -0.02 0.57 1.13 -0.60 -2.21 0.00 0.00 174.62 173.50 1sqj s ARG 724 N -0.52 4.50 -0.16 7.08 6.06 -1.26 -1.01 118.95 133.64 1sqj s ARG 724 Ca 0.08 1.69 -0.12 0.00 -2.50 0.00 0.00 55.73 54.88 1sqj s ARG 724 Cb -0.12 -3.35 -0.23 0.00 0.06 0.00 0.00 34.95 31.31 1sqj s ARG 724 CO 0.02 -0.14 0.26 0.28 -2.50 0.00 0.00 175.30 173.23 1sqj n VAL 725 N 3.53 1.67 -2.06 7.11 0.31 -0.09 -4.92 118.33 123.89 1sqj n VAL 725 Ca 0.07 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1sqj n VAL 725 Cb 0.47 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1sqj n VAL 725 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1sqj n ASN 726 N -3.87 0.00 -3.45 4.52 6.94 -1.23 -4.85 115.26 113.32 1sqj n ASN 726 Ca -0.33 -0.22 -0.04 0.00 -0.02 0.00 0.00 54.58 53.97 1sqj n ASN 726 Cb 0.90 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.33 1sqj n ASN 726 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 1sqj s ASP 727 N -1.00 -0.07 0.56 0.53 1.47 -1.26 -4.94 116.67 111.96 1sqj s ASP 727 Ca 0.00 -0.66 0.33 0.00 1.18 0.00 0.00 52.55 53.40 1sqj s ASP 727 Cb 0.00 0.57 1.46 0.00 -0.34 0.00 0.00 42.92 44.61 1sqj s ASP 727 CO 0.00 -1.10 1.81 -0.61 0.68 0.00 0.00 175.17 175.95 1sqj h GLN 728 N 2.00 0.00 -0.03 2.11 -0.00 -1.96 0.18 115.11 117.41 1sqj h GLN 728 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 1sqj h GLN 728 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.71 1sqj h GLN 728 CO 0.32 0.00 -0.13 0.39 0.00 0.00 0.00 178.83 179.41 1sqj n GLU 729 N -3.98 2.01 -3.15 1.69 4.71 -1.26 -4.37 120.64 116.29 1sqj n GLU 729 Ca 0.19 -1.66 -0.26 0.00 -0.01 0.00 0.00 57.16 55.42 1sqj n GLU 729 Cb 1.04 -1.47 -0.05 0.00 -1.01 0.00 0.00 31.44 29.95 1sqj n GLU 729 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1sqj n HIS 730 N 0.96 2.99 -0.07 -0.32 8.25 0.62 -4.06 115.22 123.58 1sqj n HIS 730 Ca 0.13 -3.99 -0.09 0.00 -0.26 0.00 0.00 57.72 53.51 1sqj n HIS 730 Cb 0.56 -0.49 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 1sqj n HIS 730 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1sqj n ASN 731 N 0.33 2.91 -1.95 0.41 3.02 -0.17 -4.26 115.26 115.54 1sqj n ASN 731 Ca 0.29 -0.07 -0.20 0.00 -0.03 0.00 0.00 54.58 54.56 1sqj n ASN 731 Cb 0.45 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.40 1sqj n ASN 731 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1sqj n TYR 732 N -2.87 -0.48 -1.55 3.10 4.01 0.50 -0.33 117.16 119.54 1sqj n TYR 732 Ca -0.24 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.36 1sqj n TYR 732 Cb 0.76 -3.67 -0.05 0.00 -0.31 0.00 0.00 39.34 36.07 1sqj n TYR 732 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1sqj n SER 733 N -1.61 -4.71 0.00 7.72 3.41 -0.22 -4.72 113.62 113.50 1sqj n SER 733 Ca -0.22 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1sqj n SER 733 Cb 0.68 -3.54 0.00 0.00 -0.26 0.00 0.00 64.21 61.09 1sqj n SER 733 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sqj n GLY 734 N -1.17 -2.56 3.78 5.00 0.00 0.56 -4.25 105.19 106.55 1sqj n GLY 734 Ca -0.15 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 1sqj n GLY 734 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqj s PRO 735 N -4.84 4.15 0.02 1.61 0.04 -1.26 -4.40 135.00 130.32 1sqj s PRO 735 Ca 0.00 1.55 0.13 0.00 0.04 0.00 0.00 61.00 62.72 1sqj s PRO 735 Cb 0.00 -2.56 -0.18 0.00 0.04 0.00 0.00 34.50 31.80 1sqj s PRO 735 CO 0.00 -0.16 0.82 1.79 0.04 0.00 0.00 177.00 179.49 1sqj h THR 736 N 2.21 0.83 -2.92 1.26 1.35 -0.33 -3.48 112.91 111.83 1sqj h THR 736 Ca -0.48 -2.53 -0.05 0.00 -0.55 0.00 0.00 66.41 62.80 1sqj h THR 736 Cb 1.22 2.34 -0.15 0.00 -1.73 0.00 0.00 68.15 69.83 1sqj h THR 736 CO 0.62 0.47 0.06 0.00 -0.25 0.00 0.00 175.52 176.42 1sqj s MET 737 N -2.73 1.09 0.13 4.72 0.23 -1.17 -5.05 119.30 116.51 1sqj s MET 737 Ca -0.03 -0.36 0.11 0.00 -1.03 0.00 0.00 55.69 54.38 1sqj s MET 737 Cb 0.08 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.84 1sqj s MET 737 CO 0.82 -0.42 -0.27 0.96 -2.03 0.00 0.00 175.02 174.08 1sqj s ILE 738 N -2.94 2.22 -0.17 3.16 -4.36 -1.26 -1.37 121.20 116.47 1sqj s ILE 738 Ca -0.03 -1.74 -0.05 0.00 -0.26 0.00 0.00 60.65 58.58 1sqj s ILE 738 Cb -0.00 -1.97 0.07 0.00 1.25 0.00 0.00 42.46 41.81 1sqj s ILE 738 CO -0.06 0.08 0.12 -0.70 0.24 0.00 0.00 174.94 174.62 1sqj s GLU 739 N -2.03 0.08 0.22 0.37 2.56 0.02 -4.72 118.70 115.20 1sqj s GLU 739 Ca 0.13 -0.02 -0.30 0.00 0.00 0.00 0.00 54.97 54.79 1sqj s GLU 739 Cb -0.10 -1.69 -0.08 0.00 2.00 0.00 0.00 34.13 34.25 1sqj s GLU 739 CO 0.06 -0.66 1.08 0.00 -0.56 0.00 0.00 175.26 175.17 1sqj s ALA 740 N 2.18 3.38 -0.21 6.30 0.00 -1.26 -0.17 121.76 131.97 1sqj s ALA 740 Ca 0.03 0.82 -0.28 0.00 0.00 0.00 0.00 51.96 52.53 1sqj s ALA 740 Cb -0.16 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1sqj s ALA 740 CO -0.10 -0.13 0.99 0.34 0.00 0.00 0.00 175.76 176.86 1sqj s ASP 741 N -0.53 7.07 0.21 0.00 3.68 -0.57 -4.68 116.67 121.84 1sqj s ASP 741 Ca 0.46 1.33 0.22 0.00 2.13 0.00 0.00 52.55 56.70 1sqj s ASP 741 Cb -0.30 -2.52 0.91 0.00 -1.45 0.00 0.00 42.92 39.56 1sqj s ASP 741 CO 0.37 -0.60 1.67 -2.65 0.13 0.00 0.00 175.17 174.09 1sqj n PRO 742 N 6.02 0.16 -0.00 4.34 -0.02 -1.26 -2.38 135.00 141.86 1sqj n PRO 742 Ca 0.10 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 1sqj n PRO 742 Cb 0.47 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.05 1sqj n PRO 742 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1sqj n LYS 743 N -2.10 1.38 -3.69 -0.52 5.02 -1.26 -4.06 118.16 112.93 1sqj n LYS 743 Ca 0.03 -0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1sqj n LYS 743 Cb 0.23 -1.30 -0.17 0.00 -0.02 0.00 0.00 35.03 33.77 1sqj n LYS 743 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sqj s VAL 744 N -2.65 -0.15 0.25 -0.18 0.11 -1.24 -5.03 120.40 111.51 1sqj s VAL 744 Ca 0.05 0.35 -0.30 0.00 -2.93 0.00 0.00 61.98 59.14 1sqj s VAL 744 Cb 0.12 -0.20 -0.10 0.00 -1.53 0.00 0.00 36.38 34.68 1sqj s VAL 744 CO 0.69 0.14 1.38 -0.47 -3.33 0.00 0.00 175.10 173.51 1sqj s TYR 745 N 1.94 3.09 0.00 1.54 5.04 -1.26 -2.98 117.35 124.72 1sqj s TYR 745 Ca 0.01 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1sqj s TYR 745 Cb -0.12 -3.73 0.00 0.00 0.35 0.00 0.00 41.96 38.46 1sqj s TYR 745 CO -0.04 -2.29 0.00 0.41 -1.34 0.00 0.00 175.55 172.28 1sqj n GLY 746 N 2.00 2.97 3.71 8.97 0.00 -1.26 -4.71 105.19 116.87 1sqj n GLY 746 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1sqj n GLY 746 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqj s ARG 747 N -0.68 4.49 -0.02 1.61 3.52 -1.16 -4.65 118.95 122.07 1sqj s ARG 747 Ca 0.00 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.78 1sqj s ARG 747 Cb 0.00 -3.47 0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1sqj s ARG 747 CO 0.00 -0.03 0.00 0.54 -0.81 0.00 0.00 175.30 175.00 1sqj s VAL 748 N 1.04 0.07 -0.16 7.11 0.11 -1.09 -1.51 120.40 125.97 1sqj s VAL 748 Ca 0.45 0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 59.45 1sqj s VAL 748 Cb -0.19 -0.14 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1sqj s VAL 748 CO 0.23 0.08 0.27 -0.31 -3.33 0.00 0.00 175.10 172.04 1sqj s TYR 749 N 0.64 3.46 -0.28 1.54 2.02 0.75 -1.43 117.35 124.06 1sqj s TYR 749 Ca -0.06 0.56 -0.09 0.00 -0.37 0.00 0.00 57.07 57.12 1sqj s TYR 749 Cb -0.09 -2.30 -0.02 0.00 -0.40 0.00 0.00 41.96 39.15 1sqj s TYR 749 CO -0.02 0.27 0.13 -0.51 -1.57 0.00 0.00 175.55 173.85 1sqj s LEU 750 N 0.36 3.81 -0.23 -1.29 1.02 0.66 -0.80 118.68 122.21 1sqj s LEU 750 Ca 0.15 -0.29 -0.21 0.00 0.02 0.00 0.00 54.13 53.81 1sqj s LEU 750 Cb -0.13 -1.99 -0.02 0.00 0.02 0.00 0.00 46.19 44.07 1sqj s LEU 750 CO 0.03 -0.10 0.65 -0.83 0.02 0.00 0.00 176.35 176.13 1sqj s GLY 751 N 1.64 1.90 0.38 -3.19 0.00 -0.47 -0.52 107.32 107.06 1sqj s GLY 751 Ca 0.06 -0.33 0.08 0.00 0.00 0.00 0.00 44.72 44.53 1sqj s GLY 751 CO 0.06 1.43 0.01 -0.51 0.00 0.00 0.00 173.10 174.10 1sqj s THR 752 N 2.30 2.27 -0.97 0.90 -4.23 -0.83 0.45 115.64 115.54 1sqj s THR 752 Ca 0.28 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1sqj s THR 752 Cb -0.16 -2.86 0.25 0.00 1.34 0.00 0.00 72.50 71.07 1sqj s THR 752 CO 0.09 -0.10 0.92 0.21 -0.54 0.00 0.00 174.62 175.20 1sqj s ASN 753 N -3.72 6.78 0.00 3.99 2.47 -1.26 -0.52 114.94 122.69 1sqj s ASN 753 Ca 0.35 -3.37 0.00 0.00 0.42 0.00 0.00 52.86 50.26 1sqj s ASN 753 Cb 0.04 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.72 1sqj s ASN 753 CO 0.19 -0.33 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 1sqj n GLY 754 N 2.96 0.97 0.16 1.21 0.00 -0.22 -4.84 105.19 105.43 1sqj n GLY 754 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1sqj n GLY 754 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqj n ARG 755 N -0.52 1.05 0.00 1.61 5.12 -1.10 -3.99 116.66 118.82 1sqj n ARG 755 Ca 0.00 -2.22 0.00 0.00 -1.93 0.00 0.00 57.85 53.70 1sqj n ARG 755 Cb 0.00 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 1sqj n ARG 755 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sqj n GLY 756 N -1.12 0.37 3.48 -0.13 0.00 -0.34 -4.64 105.19 102.82 1sqj n GLY 756 Ca 0.12 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 1sqj n GLY 756 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqj s ILE 757 N 0.00 4.76 -0.13 -0.61 1.01 -1.26 -1.96 121.20 123.01 1sqj s ILE 757 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 1sqj s ILE 757 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1sqj s ILE 757 CO 0.00 0.15 0.13 -0.69 0.00 0.00 0.00 174.94 174.53 1sqj s VAL 758 N 1.65 5.42 -0.02 2.92 1.01 0.32 -0.57 120.40 131.14 1sqj s VAL 758 Ca 0.06 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.27 1sqj s VAL 758 Cb -0.16 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1sqj s VAL 758 CO 0.07 0.59 -0.18 -0.72 0.00 0.00 0.00 175.10 174.86 1sqj s TYR 759 N -0.78 1.66 -0.18 5.22 -0.85 -0.20 0.24 117.35 122.46 1sqj s TYR 759 Ca 0.14 -0.34 -0.07 0.00 -0.52 0.00 0.00 57.07 56.28 1sqj s TYR 759 Cb -0.12 -1.07 -0.04 0.00 0.38 0.00 0.00 41.96 41.11 1sqj s TYR 759 CO 0.03 -0.05 0.07 0.00 -1.52 0.00 0.00 175.55 174.08 1sqj s ALA 760 N -0.37 3.46 0.02 9.51 0.00 -0.51 -2.03 121.76 131.84 1sqj s ALA 760 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1sqj s ALA 760 Cb -0.08 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 1sqj s ALA 760 CO -0.00 0.23 -0.03 0.34 0.00 0.00 0.00 175.76 176.29 1sqj s ASP 761 N 0.21 0.25 -0.17 0.00 2.15 -0.72 -2.66 116.67 115.73 1sqj s ASP 761 Ca 0.05 -0.44 -0.23 0.00 0.43 0.00 0.00 52.55 52.35 1sqj s ASP 761 Cb -0.12 0.08 -0.02 0.00 -0.30 0.00 0.00 42.92 42.56 1sqj s ASP 761 CO 0.00 -0.26 0.73 -0.76 -0.17 0.00 0.00 175.17 174.71 1sqj s LEU 762 N -1.29 4.18 0.00 -1.34 1.43 -1.26 -0.85 118.68 119.55 1sqj s LEU 762 Ca -0.14 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 1sqj s LEU 762 Cb -0.09 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1sqj s LEU 762 CO -0.01 -0.31 0.00 0.35 0.23 0.00 0.00 176.35 176.61 1sqj n THR 763 N 4.60 0.00 0.00 5.49 -2.24 -0.87 -4.99 114.28 116.28 1sqj n THR 763 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1sqj n THR 763 Cb 0.49 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1sqj n THR 763 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1sqj n LYS 771 N -2.45 0.00 -1.81 -0.78 3.00 -1.26 -4.23 118.16 110.64 1sqj n LYS 771 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1sqj n LYS 771 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 35.03 34.93 1sqj n LYS 771 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1sqj s SER 772 N -2.40 6.43 0.36 3.14 0.01 -1.26 -4.95 113.70 115.03 1sqj s SER 772 Ca 0.00 2.85 0.08 0.00 1.31 0.00 0.00 55.95 60.19 1sqj s SER 772 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1sqj s SER 772 CO 0.00 -0.90 0.18 0.42 0.41 0.00 0.00 173.24 173.35 1sqj s THR 773 N 0.48 2.94 0.13 1.44 -4.23 -0.65 -4.58 115.64 111.17 1sqj s THR 773 Ca 0.67 -1.64 -0.24 0.00 -1.18 0.00 0.00 61.69 59.30 1sqj s THR 773 Cb -0.47 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.44 1sqj s THR 773 CO 0.41 -0.14 0.62 0.00 -0.54 0.00 0.00 174.62 174.96 1sqj s ALA 774 N -2.44 -1.62 0.04 3.99 0.00 -1.26 -1.23 121.76 119.24 1sqj s ALA 774 Ca 0.39 0.60 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 1sqj s ALA 774 Cb -0.02 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 1sqj s ALA 774 CO 0.23 -0.72 0.17 -1.59 0.00 0.00 0.00 175.76 173.85 1sqj s LYS 775 N -3.44 0.68 -0.08 0.00 -2.85 -1.02 -4.75 119.74 108.29 1sqj s LYS 775 Ca -0.00 -0.69 -0.25 0.00 -1.00 0.00 0.00 55.97 54.03 1sqj s LYS 775 Cb -0.01 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 36.01 1sqj s LYS 775 CO -0.10 -0.19 0.77 0.00 0.10 0.00 0.00 175.35 175.92 1sqj h ALA 777 N 6.88 1.23 -0.01 0.00 0.00 -1.67 -2.45 119.26 123.24 1sqj h ALA 777 Ca -0.39 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1sqj h ALA 777 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1sqj h ALA 777 CO 0.77 0.57 0.00 0.27 0.00 0.00 0.00 179.25 180.86 1sqj n ASN 778 N -3.97 0.37 0.00 0.00 0.23 -1.26 -4.90 115.26 105.72 1sqj n ASN 778 Ca -0.02 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 1sqj n ASN 778 Cb 0.48 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1sqj n ASN 778 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sqj n GLY 779 N 1.00 0.43 3.77 4.83 0.00 -0.92 -5.03 105.19 109.27 1sqj n GLY 779 Ca 0.21 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 1sqj n GLY 779 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sqj s GLN 780 N -1.17 3.30 0.26 1.61 2.00 -1.26 -4.99 119.66 119.42 1sqj s GLN 780 Ca 0.00 1.71 -0.30 0.00 -2.00 0.00 0.00 55.36 54.77 1sqj s GLN 780 Cb 0.00 -2.05 -0.10 0.00 0.80 0.00 0.00 33.01 31.66 1sqj s GLN 780 CO 0.00 -0.91 1.37 0.21 -0.50 0.00 0.00 175.29 175.46 1sqj s LYS 781 N -3.20 4.32 6.83 1.67 2.20 -1.26 -4.38 119.74 125.92 1sqj s LYS 781 Ca 0.73 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.56 1sqj s LYS 781 Cb -0.27 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1sqj s LYS 781 CO 0.30 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1sqj n GLY 782 N 1.84 2.50 0.02 5.54 0.00 -1.26 -3.55 105.19 110.28 1sqj n GLY 782 Ca 0.05 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1sqj n GLY 782 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sqj n THR 783 N 0.00 1.25 -2.99 2.61 -2.24 -1.26 -3.15 114.28 108.50 1sqj n THR 783 Ca 0.00 -1.36 -0.44 0.00 -2.27 0.00 0.00 64.05 59.97 1sqj n THR 783 Cb 0.00 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 1sqj n THR 783 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1sqj s HIS 784 N -1.54 3.21 -0.66 4.78 5.04 -1.23 -4.88 115.29 120.00 1sqj s HIS 784 Ca 0.09 -1.46 0.25 0.00 -1.54 0.00 0.00 55.06 52.39 1sqj s HIS 784 Cb 0.08 -4.21 0.43 0.00 0.04 0.00 0.00 32.58 28.93 1sqj s HIS 784 CO 0.01 -1.41 1.41 0.00 -2.34 0.00 0.00 174.74 172.40 1sqj n TYR 786 N -2.14 2.41 0.00 0.00 9.36 -1.26 -4.89 117.16 120.63 1sqj n TYR 786 Ca 0.04 0.32 0.00 0.00 3.32 0.00 0.00 57.90 61.58 1sqj n TYR 786 Cb 0.44 -2.53 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 1sqj n TYR 786 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36