#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqj s GLU 5 N 0.00 3.07 -0.14 -0.72 2.12 0.25 -4.87 118.70 118.41 1sqj s GLU 5 Ca 0.00 -0.54 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 1sqj s GLU 5 Cb 0.00 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 1sqj s GLU 5 CO 0.00 0.51 -0.02 -0.06 -0.54 0.00 0.00 175.26 175.16 1sqj s PHE 6 N -0.39 3.08 0.09 5.30 0.08 -1.26 -0.79 117.98 124.08 1sqj s PHE 6 Ca 0.06 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 1sqj s PHE 6 Cb -0.12 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1sqj s PHE 6 CO 0.02 0.15 0.02 0.15 -0.10 0.00 0.00 175.22 175.45 1sqj s LYS 7 N -0.04 0.76 0.18 0.44 1.02 -0.84 -5.00 119.74 116.28 1sqj s LYS 7 Ca 0.02 -1.32 -0.20 0.00 0.02 0.00 0.00 55.97 54.50 1sqj s LYS 7 Cb -0.13 0.23 -0.08 0.00 -0.52 0.00 0.00 37.83 37.33 1sqj s LYS 7 CO 0.02 -0.18 0.69 -0.80 -0.92 0.00 0.00 175.35 174.16 1sqj s ASN 8 N -2.98 7.08 0.02 2.83 -0.87 -1.26 -0.10 114.94 119.66 1sqj s ASN 8 Ca 0.15 1.39 -0.30 0.00 -1.57 0.00 0.00 52.86 52.53 1sqj s ASN 8 Cb 0.08 -2.41 -0.07 0.00 -0.02 0.00 0.00 41.25 38.83 1sqj s ASN 8 CO -0.05 0.10 1.63 -0.69 -2.57 0.00 0.00 177.10 175.53 1sqj s VAL 9 N -1.40 3.30 0.17 1.60 1.01 0.12 -4.83 120.40 120.37 1sqj s VAL 9 Ca 0.39 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 1sqj s VAL 9 Cb -0.18 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1sqj s VAL 9 CO 0.21 -0.02 1.12 0.00 0.00 0.00 0.00 175.10 176.41 1sqj s ALA 10 N 3.12 3.38 0.22 5.51 0.00 0.04 -4.66 121.76 129.36 1sqj s ALA 10 Ca 0.73 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1sqj s ALA 10 Cb -0.37 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1sqj s ALA 10 CO 0.31 -0.25 0.00 -0.89 0.00 0.00 0.00 175.76 174.93 1sqj n ILE 11 N 2.50 0.23 0.00 0.00 5.41 -1.26 -4.05 119.36 122.18 1sqj n ILE 11 Ca 0.03 0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1sqj n ILE 11 Cb 0.46 -0.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 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 1.92 0.74 4.17 7.39 0.00 -1.26 -4.67 105.19 113.47 1sqj n GLY 12 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 1.63 2.05 -0.02 0.00 0.10 -4.82 105.19 104.13 1sqj n GLY 13 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.08 0.00 -0.02 0.00 0.96 -0.41 105.19 106.80 1sqj n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 4.03 3.61 -0.02 0.00 -1.20 -4.71 105.19 104.90 1sqj n GLY 15 Ca 0.00 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.17 3.23 -0.31 1.61 5.04 -1.15 -2.38 117.35 121.21 1sqj s TYR 16 Ca 0.00 0.65 -0.20 0.00 -2.44 0.00 0.00 57.07 55.08 1sqj s TYR 16 Cb 0.00 -2.94 -0.01 0.00 0.35 0.00 0.00 41.96 39.36 1sqj s TYR 16 CO 0.00 -0.43 0.63 0.42 -1.34 0.00 0.00 175.55 174.83 1sqj s ILE 17 N 2.58 4.93 -2.81 3.14 -1.09 -0.99 -3.79 121.20 123.16 1sqj s ILE 17 Ca 0.25 0.81 0.23 0.00 -2.23 0.00 0.00 60.65 59.71 1sqj s ILE 17 Cb -0.15 -4.01 0.20 0.00 -1.58 0.00 0.00 42.46 36.92 1sqj s ILE 17 CO 0.11 -0.17 1.24 0.35 -1.23 0.00 0.00 174.94 175.23 1sqj n THR 18 N 5.43 0.05 0.00 2.92 -2.24 -0.47 -4.40 114.28 115.57 1sqj n THR 18 Ca -0.01 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1sqj n THR 18 Cb 0.49 1.43 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 1sqj n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqj n GLY 19 N 1.30 1.42 3.07 3.38 0.00 -1.21 -4.70 105.19 108.46 1sqj n GLY 19 Ca 0.14 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1sqj n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqj s ILE 20 N -0.81 1.52 0.02 -0.61 1.01 -1.26 -1.33 121.20 119.74 1sqj s ILE 20 Ca 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.05 1sqj s ILE 20 Cb 0.00 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1sqj s ILE 20 CO 0.00 0.44 -0.19 -0.69 0.00 0.00 0.00 174.94 174.51 1sqj s VAL 21 N 0.89 1.50 0.07 2.92 1.01 0.82 -4.76 120.40 122.86 1sqj s VAL 21 Ca -0.08 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 60.95 1sqj s VAL 21 Cb -0.15 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1sqj s VAL 21 CO -0.00 0.24 -0.19 0.00 0.00 0.00 0.00 175.10 175.15 1sqj s ALA 22 N -0.68 1.64 -0.04 5.51 0.00 -1.26 -0.63 121.76 126.30 1sqj s ALA 22 Ca 0.06 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1sqj s ALA 22 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1sqj s ALA 22 CO 0.01 0.33 0.98 -1.58 0.00 0.00 0.00 175.76 175.50 1sqj s HIS 23 N -1.02 3.60 -0.71 0.00 2.46 -0.47 -4.94 115.29 114.21 1sqj s HIS 23 Ca 0.05 1.64 0.11 0.00 0.47 0.00 0.00 55.06 57.34 1sqj s HIS 23 Cb -0.09 -3.13 0.56 0.00 -0.13 0.00 0.00 32.58 29.78 1sqj s HIS 23 CO 0.03 -0.09 1.35 -0.35 -2.47 0.00 0.00 174.74 173.21 1sqj n PRO 24 N 4.31 0.06 0.00 2.88 -0.04 -1.26 -3.60 135.00 137.36 1sqj n PRO 24 Ca 0.07 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1sqj n PRO 24 Cb 0.50 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1sqj n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sqj n LYS 25 N -1.80 2.14 -3.86 0.54 5.02 -1.26 -5.01 118.16 113.93 1sqj n LYS 25 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.94 1sqj n LYS 25 Cb 0.07 -0.81 -0.13 0.00 -0.02 0.00 0.00 35.03 34.14 1sqj n LYS 25 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1sqj s THR 26 N -1.30 3.29 0.23 -0.18 2.01 -1.24 -5.10 115.64 113.36 1sqj s THR 26 Ca 0.00 -1.19 -0.31 0.00 0.31 0.00 0.00 61.69 60.50 1sqj s THR 26 Cb 0.00 -2.83 -0.14 0.00 0.01 0.00 0.00 72.50 69.54 1sqj s THR 26 CO 0.00 -0.06 1.22 1.17 -0.69 0.00 0.00 174.62 176.26 1sqj n LYS 27 N 4.71 1.54 -1.21 4.92 4.81 -1.26 -2.24 118.16 129.43 1sqj n LYS 27 Ca -0.14 0.55 -0.07 0.00 -0.87 0.00 0.00 58.31 57.78 1sqj n LYS 27 Cb 0.45 -2.07 -0.03 0.00 0.02 0.00 0.00 35.03 33.39 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 1.82 -5.30 -4.44 3.14 8.00 -1.26 -4.93 116.55 113.58 1sqj n ASP 28 Ca 0.12 0.18 -0.44 0.00 0.71 0.00 0.00 54.79 55.36 1sqj n ASP 28 Cb 0.29 -3.44 -0.03 0.00 -0.02 0.00 0.00 41.12 37.92 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 -1.65 4.90 0.04 0.64 0.20 -0.95 -4.69 118.68 117.17 1sqj s LEU 29 Ca 0.00 -1.64 0.06 0.00 0.69 0.00 0.00 54.13 53.24 1sqj s LEU 29 Cb 0.00 -2.39 -0.02 0.00 -0.43 0.00 0.00 46.19 43.35 1sqj s LEU 29 CO 0.00 -1.19 -0.18 -0.76 -0.29 0.00 0.00 176.35 173.94 1sqj s LEU 30 N 3.10 2.16 0.11 -0.68 1.02 -1.26 -1.37 118.68 121.75 1sqj s LEU 30 Ca 0.27 -0.48 0.04 0.00 0.02 0.00 0.00 54.13 53.98 1sqj s LEU 30 Cb -0.11 -0.81 -0.04 0.00 0.02 0.00 0.00 46.19 45.25 1sqj s LEU 30 CO -0.01 0.11 -0.10 -0.31 0.02 0.00 0.00 176.35 176.06 1sqj s TYR 31 N -0.78 1.10 0.01 0.29 1.51 0.20 -0.87 117.35 118.81 1sqj s TYR 31 Ca 0.05 -0.71 0.04 0.00 -1.01 0.00 0.00 57.07 55.44 1sqj s TYR 31 Cb -0.08 -0.59 -0.01 0.00 -0.11 0.00 0.00 41.96 41.16 1sqj s TYR 31 CO 0.01 0.01 -0.14 0.00 -1.11 0.00 0.00 175.55 174.32 1sqj s ALA 32 N -2.82 1.16 0.17 3.71 0.00 -0.62 -0.13 121.76 123.23 1sqj s ALA 32 Ca 0.09 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.47 1sqj s ALA 32 Cb -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1sqj s ALA 32 CO -0.00 0.26 -0.11 -0.98 0.00 0.00 0.00 175.76 174.93 1sqj s ARG 33 N -0.59 2.00 0.10 0.00 1.70 -0.44 -1.26 118.95 120.47 1sqj s ARG 33 Ca 0.04 -1.26 -0.00 0.00 -0.47 0.00 0.00 55.73 54.04 1sqj s ARG 33 Cb -0.06 -2.14 -0.04 0.00 -0.57 0.00 0.00 34.95 32.13 1sqj s ARG 33 CO 0.00 0.44 -0.00 0.95 -1.08 0.00 0.00 175.30 175.61 1sqj s THR 34 N -1.61 0.33 0.08 4.99 -4.23 -0.93 -1.37 115.64 112.89 1sqj s THR 34 Ca 0.24 -1.89 -0.05 0.00 -1.18 0.00 0.00 61.69 58.80 1sqj s THR 34 Cb -0.09 -1.81 -0.28 0.00 1.34 0.00 0.00 72.50 71.66 1sqj s THR 34 CO 0.14 -0.73 1.15 -2.24 -0.54 0.00 0.00 174.62 172.40 1sqj h ASP 35 N 2.96 0.48 0.00 3.99 -0.00 -1.74 -2.33 116.42 119.78 1sqj h ASP 35 Ca -0.35 -0.49 0.00 0.00 -0.00 0.00 0.00 57.03 56.19 1sqj h ASP 35 Cb 1.17 -0.15 0.00 0.00 -0.00 0.00 0.00 39.33 40.35 1sqj h ASP 35 CO 0.63 1.37 0.00 2.30 -0.00 0.00 0.00 179.24 183.54 1sqj n ILE 36 N -3.57 0.47 -1.62 4.15 -5.35 -1.26 -3.51 119.36 108.67 1sqj n ILE 36 Ca -0.09 -0.66 0.06 0.00 -0.27 0.00 0.00 62.75 61.79 1sqj n ILE 36 Cb 1.01 0.83 0.11 0.00 -1.74 0.00 0.00 39.64 39.85 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 -0.24 3.51 7.00 3.28 0.00 -1.24 -4.35 105.19 113.16 1sqj n GLY 37 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.77 0.61 3.60 -0.02 0.00 -1.26 -4.85 105.19 102.50 1sqj n GLY 38 Ca 0.12 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.81 3.10 0.01 4.61 0.00 -1.26 -2.18 121.76 124.23 1sqj s ALA 39 Ca 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 51.96 49.96 1sqj s ALA 39 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1sqj s ALA 39 CO 0.00 0.11 0.07 0.71 0.00 0.00 0.00 175.76 176.65 1sqj s TYR 40 N -2.52 0.14 -0.13 0.00 2.02 -0.39 -1.44 117.35 115.03 1sqj s TYR 40 Ca 0.34 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 1sqj s TYR 40 Cb -0.01 -0.11 -0.01 0.00 -0.40 0.00 0.00 41.96 41.43 1sqj s TYR 40 CO 0.18 -0.26 -0.15 0.50 -1.57 0.00 0.00 175.55 174.25 1sqj s ARG 41 N -1.54 3.28 0.17 -0.62 3.52 -0.22 -1.59 118.95 121.95 1sqj s ARG 41 Ca -0.14 -0.74 -0.31 0.00 -0.13 0.00 0.00 55.73 54.41 1sqj s ARG 41 Cb -0.08 -2.58 -0.09 0.00 -1.56 0.00 0.00 34.95 30.64 1sqj s ARG 41 CO 0.00 0.14 1.45 -0.46 -0.81 0.00 0.00 175.30 175.62 1sqj s TRP 42 N 0.52 3.14 -0.39 5.12 -0.11 -0.05 -0.37 118.94 126.80 1sqj s TRP 42 Ca -0.10 0.89 -0.04 0.00 1.22 0.00 0.00 56.10 58.07 1sqj s TRP 42 Cb -0.16 -3.78 0.09 0.00 -1.50 0.00 0.00 33.47 28.12 1sqj s TRP 42 CO 0.04 -2.72 0.17 0.34 -4.62 0.00 0.00 176.95 170.16 1sqj s ASP 43 N 0.88 5.26 0.40 5.86 -1.08 0.11 -4.63 116.67 123.47 1sqj s ASP 43 Ca 0.64 -1.74 0.08 0.00 -0.52 0.00 0.00 52.55 51.02 1sqj s ASP 43 Cb -0.40 -1.84 0.85 0.00 -1.46 0.00 0.00 42.92 40.07 1sqj s ASP 43 CO 0.34 -0.48 2.00 0.00 0.52 0.00 0.00 175.17 177.55 1sqj h ALA 44 N 8.12 1.78 -0.49 3.66 0.00 -1.83 0.61 119.26 131.10 1sqj h ALA 44 Ca -0.17 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1sqj h ALA 44 Cb 1.06 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1sqj h ALA 44 CO 0.67 0.13 0.21 0.78 0.00 0.00 0.00 179.25 181.04 1sqj h GLY 45 N 0.60 0.68 -1.40 0.00 0.00 -1.94 -3.00 103.07 98.01 1sqj h GLY 45 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1sqj h GLY 45 CO -0.07 0.05 0.00 -1.30 0.00 0.00 0.00 176.54 175.22 1sqj n THR 46 N -4.95 0.52 -3.98 4.70 -2.24 -1.12 -5.01 114.28 102.20 1sqj n THR 46 Ca 0.05 -0.76 -0.27 0.00 -2.27 0.00 0.00 64.05 60.80 1sqj n THR 46 Cb 0.17 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.80 -0.91 -3.97 3.42 7.64 0.18 -4.99 113.62 115.79 1sqj n SER 47 Ca 0.12 -0.99 -0.09 0.00 1.01 0.00 0.00 58.87 58.91 1sqj n SER 47 Cb 0.42 -3.09 -0.11 0.00 -1.01 0.00 0.00 64.21 60.42 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 -6.58 0.29 0.19 1.43 1.02 -1.03 -4.69 119.74 110.36 1sqj s LYS 48 Ca 0.13 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.30 1sqj s LYS 48 Cb -0.07 0.09 -0.08 0.00 -0.52 0.00 0.00 37.83 37.25 1sqj s LYS 48 CO 0.89 -0.04 0.80 -1.58 -0.92 0.00 0.00 175.35 174.49 1sqj s TRP 49 N -1.35 3.88 -0.21 3.18 0.52 0.90 0.09 118.94 125.96 1sqj s TRP 49 Ca -0.15 1.65 -0.04 0.00 0.02 0.00 0.00 56.10 57.58 1sqj s TRP 49 Cb -0.09 -2.78 -0.01 0.00 -1.15 0.00 0.00 33.47 29.43 1sqj s TRP 49 CO -0.01 0.48 -0.04 0.42 0.02 0.00 0.00 176.95 177.82 1sqj s ILE 50 N -1.22 3.49 0.27 2.03 1.01 0.50 -4.34 121.20 122.95 1sqj s ILE 50 Ca 0.38 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1sqj s ILE 50 Cb -0.23 -2.58 -0.10 0.00 0.01 0.00 0.00 42.46 39.56 1sqj s ILE 50 CO 0.26 0.43 1.46 -2.16 0.00 0.00 0.00 174.94 174.93 1sqj s PRO 51 N 1.29 4.24 0.00 2.79 0.04 -1.26 -1.05 135.00 141.05 1sqj s PRO 51 Ca 0.04 2.36 0.10 0.00 0.04 0.00 0.00 61.00 63.53 1sqj s PRO 51 Cb -0.14 -3.08 0.06 0.00 0.04 0.00 0.00 34.50 31.38 1sqj s PRO 51 CO -0.01 -0.44 0.77 1.28 0.04 0.00 0.00 177.00 178.64 1sqj n LEU 52 N 2.02 1.69 -0.50 -3.56 4.77 -0.52 -4.64 117.00 116.27 1sqj n LEU 52 Ca 0.06 -0.95 0.06 0.00 -0.03 0.00 0.00 56.01 55.15 1sqj n LEU 52 Cb 0.40 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.61 1sqj n LEU 52 CO 0.61 0.33 0.38 0.59 -1.33 0.00 0.00 177.39 177.97 1sqj n ASN 53 N 0.38 1.57 0.00 -1.43 5.03 -1.26 -4.80 115.26 114.76 1sqj n ASN 53 Ca 0.05 -3.01 0.13 0.00 0.87 0.00 0.00 54.58 52.62 1sqj n ASN 53 Cb 0.24 -0.40 0.71 0.00 -1.02 0.00 0.00 39.78 39.30 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 -0.84 0.00 0.11 6.41 8.00 -1.26 -2.47 116.55 126.51 1sqj n ASP 54 Ca 0.13 -0.35 0.12 0.00 0.71 0.00 0.00 54.79 55.40 1sqj n ASP 54 Cb 0.73 -0.19 0.45 0.00 -0.02 0.00 0.00 41.12 42.10 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 -1.19 0.82 -1.79 1.24 1.16 -1.26 -0.99 117.46 115.46 1sqj n PHE 55 Ca 0.15 0.28 -0.42 0.00 -1.87 0.00 0.00 57.45 55.59 1sqj n PHE 55 Cb 0.17 -0.96 -0.03 0.00 -1.61 0.00 0.00 39.48 37.05 1sqj n PHE 55 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1sqj s ILE 56 N -3.21 2.40 0.60 1.97 1.01 -1.03 -4.72 121.20 118.22 1sqj s ILE 56 Ca 0.07 0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.75 1sqj s ILE 56 Cb 0.11 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1sqj s ILE 56 CO 0.48 0.01 1.02 -1.61 0.00 0.00 0.00 174.94 174.84 1sqj s GLU 57 N 1.80 3.57 0.30 2.79 2.02 -1.26 -1.17 118.70 126.76 1sqj s GLU 57 Ca 0.76 0.87 0.05 0.00 0.02 0.00 0.00 54.97 56.67 1sqj s GLU 57 Cb -0.46 -2.08 0.77 0.00 0.10 0.00 0.00 34.13 32.46 1sqj s GLU 57 CO 0.33 -0.59 1.70 0.00 0.02 0.00 0.00 175.26 176.73 1sqj h ALA 58 N 0.01 1.53 0.00 5.21 0.00 -1.88 0.06 119.26 124.19 1sqj h ALA 58 Ca -0.45 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1sqj h ALA 58 Cb 1.19 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1sqj h ALA 58 CO 0.61 -0.32 -0.03 -0.56 0.00 0.00 0.00 179.25 178.95 1sqj h GLN 59 N 0.45 0.00 -0.76 0.00 3.07 -1.93 -3.04 115.11 112.89 1sqj h GLN 59 Ca 0.58 0.00 -0.45 0.00 0.09 0.00 0.00 58.65 58.87 1sqj h GLN 59 Cb 1.11 0.00 -0.25 0.00 0.08 0.00 0.00 27.48 28.41 1sqj h GLN 59 CO -0.51 0.03 0.30 -0.25 0.09 0.00 0.00 178.83 178.48 1sqj n ASP 60 N -3.13 4.41 -0.28 0.06 8.00 -0.01 -4.73 116.55 120.86 1sqj n ASP 60 Ca 0.01 -3.73 0.02 0.00 0.71 0.00 0.00 54.79 51.79 1sqj n ASP 60 Cb 0.32 -0.75 0.15 0.00 -0.02 0.00 0.00 41.12 40.82 1sqj n ASP 60 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1sqj h MET 61 N 1.38 0.79 0.00 -1.24 4.05 -1.41 -0.06 114.93 118.44 1sqj h MET 61 Ca 0.47 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.84 1sqj h MET 61 Cb 1.83 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 32.45 1sqj h MET 61 CO 0.95 0.52 0.00 0.09 0.23 0.00 0.00 176.91 178.71 1sqj n ASN 62 N -4.72 0.00 0.11 1.39 3.02 -1.26 -0.88 115.26 112.91 1sqj n ASN 62 Ca 0.12 -0.20 0.12 0.00 -0.03 0.00 0.00 54.58 54.59 1sqj n ASN 62 Cb 0.23 -0.12 0.12 0.00 -0.61 0.00 0.00 39.78 39.40 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 -0.77 2.41 1.08 -1.33 0.29 117.51 119.19 1sqj h ILE 63 Ca 0.00 -0.77 -0.62 0.00 -0.39 0.00 0.00 64.86 63.07 1sqj h ILE 63 Cb 0.05 1.41 -0.07 0.00 -3.07 0.00 0.00 36.82 35.14 1sqj h ILE 63 CO 0.00 0.00 2.05 0.80 -0.69 0.00 0.00 178.15 180.31 1sqj n MET 64 N -2.50 2.92 0.00 2.37 1.56 -0.06 -3.91 117.12 117.50 1sqj n MET 64 Ca 0.02 -3.12 0.00 0.00 -0.27 0.00 0.00 57.70 54.33 1sqj n MET 64 Cb 0.50 -3.53 0.00 0.00 2.15 0.00 0.00 33.22 32.34 1sqj n MET 64 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1sqj n GLY 65 N 5.42 0.28 3.42 -5.12 0.00 -1.26 -3.62 105.19 104.31 1sqj n GLY 65 Ca 0.48 0.69 -0.44 0.00 0.00 0.00 0.00 46.02 46.76 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 5.23 0.11 2.61 2.01 -0.87 0.01 115.64 124.73 1sqj s THR 66 Ca 0.00 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 60.97 1sqj s THR 66 Cb 0.00 -4.06 -0.08 0.00 0.01 0.00 0.00 72.50 68.37 1sqj s THR 66 CO 0.00 -0.49 1.44 -0.08 -0.69 0.00 0.00 174.62 174.80 1sqj h GLU 67 N 8.72 0.74 -2.72 4.92 4.81 -0.78 -3.39 114.58 126.87 1sqj h GLU 67 Ca -0.28 -0.38 -0.09 0.00 -0.13 0.00 0.00 59.36 58.48 1sqj h GLU 67 Cb 1.11 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.31 1sqj h GLU 67 CO 0.83 1.00 -0.11 0.45 -0.73 0.00 0.00 179.01 180.45 1sqj s SER 68 N -6.57 -0.35 -0.09 1.04 0.15 -1.18 -4.81 113.70 101.88 1sqj s SER 68 Ca -0.12 0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.83 1sqj s SER 68 Cb 0.09 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.79 1sqj s SER 68 CO 0.83 -0.53 -0.19 -0.63 1.20 0.00 0.00 173.24 173.93 1sqj s ILE 69 N -1.44 2.52 -0.06 6.45 1.01 -1.26 -1.55 121.20 126.86 1sqj s ILE 69 Ca -0.12 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1sqj s ILE 69 Cb -0.03 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1sqj s ILE 69 CO 0.05 0.55 -0.12 0.00 0.00 0.00 0.00 174.94 175.43 1sqj s ALA 70 N 0.09 1.21 0.18 9.38 0.00 -0.43 -4.79 121.76 127.40 1sqj s ALA 70 Ca -0.09 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1sqj s ALA 70 Cb -0.15 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1sqj s ALA 70 CO 0.06 0.11 0.29 -0.51 0.00 0.00 0.00 175.76 175.70 1sqj s LEU 71 N 0.65 4.27 -0.39 0.00 1.43 -1.26 -1.77 118.68 121.61 1sqj s LEU 71 Ca -0.14 0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 1sqj s LEU 71 Cb -0.15 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.25 1sqj s LEU 71 CO 0.03 0.02 0.27 -0.62 0.23 0.00 0.00 176.35 176.28 1sqj s ASP 72 N -3.43 6.04 0.59 2.29 -1.08 -1.26 -4.36 116.67 115.46 1sqj s ASP 72 Ca 0.34 -0.79 0.30 0.00 -0.52 0.00 0.00 52.55 51.88 1sqj s ASP 72 Cb -0.10 -2.13 1.80 0.00 -1.46 0.00 0.00 42.92 41.03 1sqj s ASP 72 CO 0.28 -0.39 2.22 1.55 0.52 0.00 0.00 175.17 179.35 1sqj h PRO 73 N 8.57 0.00 0.00 4.34 0.13 -1.94 -1.92 132.00 141.18 1sqj h PRO 73 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1sqj h PRO 73 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1sqj h PRO 73 CO 0.70 0.00 -0.87 0.09 -0.23 0.00 0.00 178.00 177.68 1sqj n ASN 74 N -3.80 0.65 -3.47 1.44 3.02 -1.26 -4.72 115.26 107.12 1sqj n ASN 74 Ca -0.02 -0.36 -0.26 0.00 -0.03 0.00 0.00 54.58 53.92 1sqj n ASN 74 Cb 0.15 0.67 -0.12 0.00 -0.61 0.00 0.00 39.78 39.87 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 -3.52 2.76 0.54 6.41 0.01 -0.72 -5.04 114.94 115.38 1sqj s ASN 75 Ca 0.06 -1.51 0.32 0.00 -0.71 0.00 0.00 52.86 51.02 1sqj s ASN 75 Cb 0.15 -0.11 1.48 0.00 0.41 0.00 0.00 41.25 43.19 1sqj s ASN 75 CO 0.78 -0.37 2.04 1.55 -1.51 0.00 0.00 177.10 179.60 1sqj h PRO 76 N 7.79 0.00 0.00 -0.60 0.13 -1.85 -2.84 132.00 134.64 1sqj h PRO 76 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1sqj h PRO 76 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1sqj h PRO 76 CO 0.34 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 177.93 1sqj n ASP 77 N -3.30 0.00 -4.84 1.44 10.43 -1.26 -4.79 116.55 114.24 1sqj n ASP 77 Ca -0.01 0.38 -0.33 0.00 2.57 0.00 0.00 54.79 57.40 1sqj n ASP 77 Cb 0.27 -0.45 -0.06 0.00 1.84 0.00 0.00 41.12 42.72 1sqj n ASP 77 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1sqj s ARG 78 N -2.90 4.09 -0.17 -1.24 0.52 -1.07 -0.61 118.95 117.57 1sqj s ARG 78 Ca 0.12 0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 55.98 1sqj s ARG 78 Cb 0.13 -2.49 0.05 0.00 0.52 0.00 0.00 34.95 33.16 1sqj s ARG 78 CO 0.34 0.18 0.42 -1.17 0.02 0.00 0.00 175.30 175.09 1sqj s LEU 79 N -2.81 0.11 -0.06 2.53 2.96 -0.84 -4.32 118.68 116.26 1sqj s LEU 79 Ca 0.53 0.89 0.05 0.00 -0.22 0.00 0.00 54.13 55.38 1sqj s LEU 79 Cb -0.11 1.43 -0.01 0.00 0.50 0.00 0.00 46.19 48.00 1sqj s LEU 79 CO 0.18 -0.17 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.51 1sqj s TYR 80 N 0.85 2.10 -0.07 5.38 2.02 -0.73 -1.48 117.35 125.42 1sqj s TYR 80 Ca -0.05 -0.65 0.02 0.00 -0.37 0.00 0.00 57.07 56.01 1sqj s TYR 80 Cb -0.06 -1.40 0.02 0.00 -0.40 0.00 0.00 41.96 40.12 1sqj s TYR 80 CO -0.07 -0.22 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.07 1sqj s LEU 81 N 0.02 1.56 -0.28 -1.29 1.02 -0.33 -1.31 118.68 118.06 1sqj s LEU 81 Ca -0.06 -0.28 -0.14 0.00 0.02 0.00 0.00 54.13 53.68 1sqj s LEU 81 Cb -0.13 -0.78 -0.04 0.00 0.02 0.00 0.00 46.19 45.26 1sqj s LEU 81 CO 0.04 0.01 0.30 0.00 0.02 0.00 0.00 176.35 176.72 1sqj s ALA 82 N 0.79 3.54 -0.10 4.21 0.00 -0.60 -0.86 121.76 128.75 1sqj s ALA 82 Ca -0.12 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1sqj s ALA 82 Cb -0.15 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 1sqj s ALA 82 CO 0.02 -0.68 -0.18 -0.65 0.00 0.00 0.00 175.76 174.27 1sqj s GLN 83 N 1.95 3.09 0.00 0.00 -1.52 0.83 -0.15 119.66 123.86 1sqj s GLN 83 Ca 0.12 -0.76 0.00 0.00 -1.95 0.00 0.00 55.36 52.76 1sqj s GLN 83 Cb -0.16 -2.46 0.00 0.00 -0.22 0.00 0.00 33.01 30.17 1sqj s GLN 83 CO 0.11 0.28 0.00 0.41 -0.25 0.00 0.00 175.29 175.83 1sqj n GLY 84 N 3.30 3.68 0.15 3.09 0.00 0.10 -1.08 105.19 114.42 1sqj n GLY 84 Ca -0.18 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 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 0.45 -4.19 1.61 3.08 -0.63 0.40 114.38 115.10 1sqj h ARG 85 Ca 0.00 -0.42 -0.25 0.00 0.07 0.00 0.00 59.98 59.39 1sqj h ARG 85 Cb 0.00 0.10 -0.24 0.00 0.08 0.00 0.00 29.97 29.92 1sqj h ARG 85 CO 0.00 1.07 -0.73 0.71 -1.07 0.00 0.00 179.97 179.95 1sqj s TYR 86 N -3.42 0.39 0.35 3.04 1.51 -1.16 -0.31 117.35 117.74 1sqj s TYR 86 Ca -0.13 -0.34 0.14 0.00 -1.01 0.00 0.00 57.07 55.73 1sqj s TYR 86 Cb 0.04 -0.25 0.73 0.00 -0.11 0.00 0.00 41.96 42.37 1sqj s TYR 86 CO 0.82 -0.09 1.81 -0.39 -1.11 0.00 0.00 175.55 176.60 1sqj h VAL 87 N 4.76 1.21 0.00 0.71 -1.51 -1.81 -2.37 116.25 117.25 1sqj h VAL 87 Ca -0.31 -1.33 0.00 0.00 -1.23 0.00 0.00 66.70 63.83 1sqj h VAL 87 Cb 1.20 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 1sqj h VAL 87 CO 0.44 0.37 0.00 0.61 -1.23 0.00 0.00 177.57 177.77 1sqj n GLY 88 N -0.36 -0.95 3.62 5.19 0.00 -1.26 -4.72 105.19 106.71 1sqj n GLY 88 Ca -0.02 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1sqj n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqj n ASP 89 N -0.80 0.25 0.02 1.61 10.43 -0.89 -4.95 116.55 122.23 1sqj n ASP 89 Ca 0.14 0.56 -0.10 0.00 2.57 0.00 0.00 54.79 57.96 1sqj n ASP 89 Cb 0.06 -1.42 -0.04 0.00 1.84 0.00 0.00 41.12 41.57 1sqj n ASP 89 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1sqj h GLU 90 N -0.87 -0.30 -3.91 -1.24 4.81 -1.91 -3.45 114.58 107.70 1sqj h GLU 90 Ca -0.46 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.70 1sqj h GLU 90 Cb 1.31 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.61 1sqj h GLU 90 CO 0.44 -0.20 -0.45 1.67 -0.73 0.00 0.00 179.01 179.74 1sqj s TRP 91 N -6.08 0.24 0.36 0.92 1.48 -1.26 -5.14 118.94 109.45 1sqj s TRP 91 Ca -0.15 -0.70 0.09 0.00 -1.06 0.00 0.00 56.10 54.28 1sqj s TRP 91 Cb 0.10 -0.14 -0.07 0.00 -1.16 0.00 0.00 33.47 32.20 1sqj s TRP 91 CO 0.67 -0.50 -0.06 0.00 -4.06 0.00 0.00 176.95 173.00 1sqj s ALA 92 N -3.82 2.95 0.04 2.67 0.00 -1.26 -4.86 121.76 117.48 1sqj s ALA 92 Ca 0.05 -2.13 -0.07 0.00 0.00 0.00 0.00 51.96 49.81 1sqj s ALA 92 Cb 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1sqj s ALA 92 CO -0.10 0.01 0.13 0.00 0.00 0.00 0.00 175.76 175.80 1sqj s ALA 93 N -2.68 -0.16 -0.16 0.00 0.00 -0.24 -0.80 121.76 117.72 1sqj s ALA 93 Ca 0.33 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 1sqj s ALA 93 Cb 0.05 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1sqj s ALA 93 CO 0.16 -0.35 -0.03 -0.06 0.00 0.00 0.00 175.76 175.48 1sqj s PHE 94 N -2.78 3.05 -0.26 0.00 0.40 0.30 -0.12 117.98 118.57 1sqj s PHE 94 Ca -0.03 -0.26 -0.08 0.00 -0.60 0.00 0.00 56.93 55.96 1sqj s PHE 94 Cb -0.00 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 1sqj s PHE 94 CO -0.05 -0.02 0.09 0.71 0.70 0.00 0.00 175.22 176.65 1sqj s TYR 95 N 0.37 3.11 -0.13 0.36 1.51 -0.04 -1.18 117.35 121.36 1sqj s TYR 95 Ca -0.03 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1sqj s TYR 95 Cb -0.14 -2.26 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 1sqj s TYR 95 CO 0.03 -0.38 -0.14 0.08 -1.11 0.00 0.00 175.55 174.03 1sqj s VAL 96 N 1.61 2.97 0.03 0.71 1.01 -0.78 -1.19 120.40 124.75 1sqj s VAL 96 Ca 0.06 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.39 1sqj s VAL 96 Cb -0.16 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1sqj s VAL 96 CO 0.04 0.52 -0.13 -0.55 0.00 0.00 0.00 175.10 174.99 1sqj s SER 97 N 0.39 1.52 0.00 3.32 0.15 -0.55 -0.32 113.70 118.21 1sqj s SER 97 Ca -0.11 -0.39 0.11 0.00 0.70 0.00 0.00 55.95 56.26 1sqj s SER 97 Cb -0.16 -0.11 0.26 0.00 -1.71 0.00 0.00 66.02 64.30 1sqj s SER 97 CO 0.06 0.05 1.16 -0.62 1.20 0.00 0.00 173.24 175.08 1sqj n GLU 98 N 2.13 2.27 -2.51 5.44 1.02 -1.26 -1.99 120.64 125.74 1sqj n GLU 98 Ca -0.17 -1.84 -0.10 0.00 -0.02 0.00 0.00 57.16 55.03 1sqj n GLU 98 Cb 0.55 -1.26 0.04 0.00 -0.02 0.00 0.00 31.44 30.74 1sqj n GLU 98 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1sqj n ASP 99 N 0.58 2.93 -1.97 1.62 3.85 -1.03 -4.50 116.55 118.03 1sqj n ASP 99 Ca 0.11 -2.76 -0.18 0.00 -0.71 0.00 0.00 54.79 51.24 1sqj n ASP 99 Cb 0.39 -0.43 -0.02 0.00 -1.35 0.00 0.00 41.12 39.72 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 -0.61 -1.42 -0.33 0.11 1.74 0.22 -2.31 116.66 114.05 1sqj n ARG 100 Ca 0.22 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.23 1sqj n ARG 100 Cb 0.86 -5.40 0.00 0.00 -1.02 0.00 0.00 32.46 26.90 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 -0.97 0.90 0.22 -0.13 0.00 -1.26 -4.93 105.19 99.02 1sqj n GLY 101 Ca -0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 3.82 0.02 -2.66 1.61 4.20 -1.84 -3.44 115.11 116.81 1sqj h GLN 102 Ca 0.00 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1sqj h GLN 102 Cb 0.00 -0.00 -0.23 0.00 0.30 0.00 0.00 27.48 27.54 1sqj h GLN 102 CO 0.00 0.22 -0.19 -1.54 -0.67 0.00 0.00 178.83 176.65 1sqj s SER 103 N -6.99 -0.45 0.18 1.46 1.04 -1.26 -2.13 113.70 105.55 1sqj s SER 103 Ca -0.04 0.85 0.11 0.00 0.48 0.00 0.00 55.95 57.36 1sqj s SER 103 Cb 0.16 0.87 -0.04 0.00 0.10 0.00 0.00 66.02 67.11 1sqj s SER 103 CO 0.70 -0.18 -0.24 -0.36 0.98 0.00 0.00 173.24 174.14 1sqj s PHE 104 N 0.13 2.31 -0.03 5.02 0.08 -0.44 -4.16 117.98 120.89 1sqj s PHE 104 Ca -0.01 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.70 1sqj s PHE 104 Cb -0.03 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 1sqj s PHE 104 CO 0.01 0.46 -0.07 -0.08 -0.10 0.00 0.00 175.22 175.44 1sqj s THR 105 N -1.52 3.65 -0.11 0.64 -1.32 0.56 -2.43 115.64 115.11 1sqj s THR 105 Ca 0.19 -0.64 -0.03 0.00 -1.21 0.00 0.00 61.69 60.01 1sqj s THR 105 Cb -0.08 -2.53 -0.03 0.00 -1.51 0.00 0.00 72.50 68.34 1sqj s THR 105 CO 0.09 0.50 -0.00 -0.63 -2.21 0.00 0.00 174.62 172.37 1sqj s ILE 106 N -0.90 4.28 -0.04 5.08 1.01 0.27 -1.87 121.20 129.03 1sqj s ILE 106 Ca 0.15 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1sqj s ILE 106 Cb -0.11 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 1sqj s ILE 106 CO 0.04 0.57 -0.22 -0.31 0.00 0.00 0.00 174.94 175.03 1sqj s TYR 107 N -0.57 2.09 0.12 3.97 1.51 -0.32 -1.25 117.35 122.89 1sqj s TYR 107 Ca 0.10 -0.55 -0.31 0.00 -1.01 0.00 0.00 57.07 55.29 1sqj s TYR 107 Cb -0.12 -1.37 -0.10 0.00 -0.11 0.00 0.00 41.96 40.26 1sqj s TYR 107 CO 0.02 -0.15 1.74 -2.00 -1.11 0.00 0.00 175.55 174.05 1sqj s GLU 108 N -0.21 4.16 0.28 -0.62 2.12 -1.26 -0.54 118.70 122.62 1sqj s GLU 108 Ca 0.00 2.50 -0.29 0.00 0.36 0.00 0.00 54.97 57.53 1sqj s GLU 108 Cb -0.12 -3.50 -0.09 0.00 0.26 0.00 0.00 34.13 30.68 1sqj s GLU 108 CO 0.02 -0.78 1.16 0.45 -0.54 0.00 0.00 175.26 175.57 1sqj s SER 109 N 2.30 7.13 0.37 -1.70 0.15 0.02 -4.81 113.70 117.16 1sqj s SER 109 Ca 0.77 2.36 0.27 0.00 0.70 0.00 0.00 55.95 60.05 1sqj s SER 109 Cb -0.44 -2.63 1.20 0.00 -1.71 0.00 0.00 66.02 62.44 1sqj s SER 109 CO 0.34 -0.26 1.82 -0.65 1.20 0.00 0.00 173.24 175.69 1sqj h PRO 110 N 3.96 0.00 -4.16 5.44 0.11 -1.94 -3.42 132.00 131.98 1sqj h PRO 110 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 1sqj h PRO 110 Cb 1.21 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.13 1sqj h PRO 110 CO 0.68 0.00 -0.70 -0.59 -0.21 0.00 0.00 178.00 177.18 1sqj s PHE 111 N -3.49 0.41 0.78 0.65 -0.12 -1.26 -5.12 117.98 109.83 1sqj s PHE 111 Ca 0.02 -0.66 -0.12 0.00 -0.05 0.00 0.00 56.93 56.12 1sqj s PHE 111 Cb 0.09 -0.28 0.07 0.00 -0.63 0.00 0.00 43.02 42.27 1sqj s PHE 111 CO 0.41 -0.21 1.14 -2.14 -0.05 0.00 0.00 175.22 174.37 1sqj s PRO 112 N -2.13 1.97 0.18 1.99 0.02 -1.26 -4.70 135.00 131.07 1sqj s PRO 112 Ca -0.09 1.47 0.03 0.00 0.02 0.00 0.00 61.00 62.43 1sqj s PRO 112 Cb -0.05 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 1sqj s PRO 112 CO -0.03 -1.91 -0.03 -1.64 -0.33 0.00 0.00 177.00 173.06 1sqj s MET 113 N -4.43 1.15 -0.42 5.54 -1.94 -1.26 -4.51 119.30 113.43 1sqj s MET 113 Ca 0.67 -1.54 0.09 0.00 -1.71 0.00 0.00 55.69 53.20 1sqj s MET 113 Cb -0.22 -0.47 0.30 0.00 2.01 0.00 0.00 34.83 36.44 1sqj s MET 113 CO 0.51 -0.06 0.79 0.41 -0.01 0.00 0.00 175.02 176.66 1sqj n GLY 114 N -0.27 2.14 0.28 -0.03 0.00 -1.17 -2.21 105.19 103.93 1sqj n GLY 114 Ca -0.07 -0.97 0.14 0.00 0.00 0.00 0.00 46.02 45.12 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 3.44 1.37 -0.45 4.61 0.00 0.38 -0.72 119.26 127.89 1sqj h ALA 115 Ca 0.01 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1sqj h ALA 115 Cb 0.98 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 1sqj h ALA 115 CO 0.38 0.08 0.03 -1.71 0.00 0.00 0.00 179.25 178.03 1sqj n ASN 116 N -3.69 2.76 -4.95 0.00 5.15 0.57 -4.28 115.26 110.82 1sqj n ASN 116 Ca -0.02 -3.71 -0.20 0.00 -0.60 0.00 0.00 54.58 50.05 1sqj n ASN 116 Cb 0.16 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 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 -2.31 5.18 0.34 1.20 -0.00 -0.28 -4.91 116.67 115.89 1sqj s ASP 117 Ca 0.46 -0.75 -0.28 0.00 -0.00 0.00 0.00 52.55 51.99 1sqj s ASP 117 Cb 0.41 -0.26 -0.12 0.00 -0.00 0.00 0.00 42.92 42.95 1sqj s ASP 117 CO 0.02 -0.90 1.32 0.23 -0.00 0.00 0.00 175.17 175.84 1sqj n MET 118 N -1.82 2.18 -0.76 8.23 2.81 -1.26 -2.72 117.12 123.78 1sqj n MET 118 Ca 0.07 0.77 0.00 0.00 -1.81 0.00 0.00 57.70 56.72 1sqj n MET 118 Cb 0.61 -2.37 0.00 0.00 -0.71 0.00 0.00 33.22 30.75 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 0.85 0.61 0.22 3.03 0.00 0.10 -4.84 105.19 105.16 1sqj n GLY 119 Ca 0.05 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 1.51 0.00 0.00 1.61 0.11 -1.75 -0.98 114.38 114.87 1sqj h ARG 120 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 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 0.00 -0.11 -2.95 0.10 0.00 0.00 179.97 177.01 1sqj h ASN 121 N 0.00 0.00 -3.52 0.08 -1.07 -1.86 -3.44 115.58 105.77 1sqj h ASN 121 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 1sqj h ASN 121 Cb 0.27 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.49 1sqj h ASN 121 CO 0.00 0.11 0.22 0.20 0.07 0.00 0.00 177.43 178.04 1sqj s ASN 122 N -6.71 7.37 -0.23 6.14 0.01 -0.38 -4.77 114.94 116.36 1sqj s ASN 122 Ca -0.04 1.63 0.02 0.00 -0.71 0.00 0.00 52.86 53.75 1sqj s ASN 122 Cb 0.15 -2.52 0.05 0.00 0.41 0.00 0.00 41.25 39.35 1sqj s ASN 122 CO 0.65 0.08 -0.10 -0.83 -1.51 0.00 0.00 177.10 175.39 1sqj s GLY 123 N -0.51 1.45 0.00 0.66 0.00 -1.24 -4.80 107.32 102.88 1sqj s GLY 123 Ca 0.39 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1sqj s GLY 123 CO 0.26 0.70 0.00 1.18 0.00 0.00 0.00 173.10 175.25 1sqj n GLU 124 N 4.57 0.00 0.15 2.90 4.71 -1.24 -4.79 120.64 126.94 1sqj n GLU 124 Ca -0.14 0.23 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1sqj n GLU 124 Cb 0.44 -0.70 0.23 0.00 -1.01 0.00 0.00 31.44 30.41 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 -5.73 3.49 3.08 -1.87 -2.95 114.38 110.40 1sqj h ARG 125 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1sqj h ARG 125 Cb 0.02 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 1sqj h ARG 125 CO 0.00 0.54 -0.31 -1.17 -1.07 0.00 0.00 179.97 177.96 1sqj s LEU 126 N -7.64 4.37 -0.15 3.04 2.96 -1.26 -0.97 118.68 119.02 1sqj s LEU 126 Ca -0.01 0.68 -0.17 0.00 -0.22 0.00 0.00 54.13 54.41 1sqj s LEU 126 Cb 0.13 -2.40 0.05 0.00 0.50 0.00 0.00 46.19 44.47 1sqj s LEU 126 CO 0.74 0.25 0.47 0.00 -1.32 0.00 0.00 176.35 176.50 1sqj s ALA 127 N -0.45 -1.17 -0.17 5.97 0.00 0.17 -4.47 121.76 121.65 1sqj s ALA 127 Ca 0.19 1.23 -0.09 0.00 0.00 0.00 0.00 51.96 53.29 1sqj s ALA 127 Cb -0.14 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 1sqj s ALA 127 CO 0.08 -0.24 0.15 0.08 0.00 0.00 0.00 175.76 175.83 1sqj s VAL 128 N -0.00 5.43 -0.22 0.00 1.01 -1.26 -0.47 120.40 124.87 1sqj s VAL 128 Ca -0.02 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1sqj s VAL 128 Cb -0.03 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1sqj s VAL 128 CO 0.02 0.49 1.94 0.21 0.00 0.00 0.00 175.10 177.76 1sqj s ASN 129 N -0.09 5.88 0.00 3.32 3.84 -0.58 -4.87 114.94 122.44 1sqj s ASN 129 Ca 0.11 1.74 0.12 0.00 0.21 0.00 0.00 52.86 55.04 1sqj s ASN 129 Cb -0.12 -2.52 0.59 0.00 -0.55 0.00 0.00 41.25 38.65 1sqj s ASN 129 CO 0.01 -1.64 1.30 -0.81 -2.79 0.00 0.00 177.10 173.16 1sqj n PRO 130 N 8.31 0.15 0.00 0.43 -0.04 -1.26 -1.75 135.00 140.83 1sqj n PRO 130 Ca 0.24 0.19 0.04 0.00 -0.04 0.00 0.00 63.50 63.94 1sqj n PRO 130 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1sqj n PRO 130 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sqj n PHE 131 N -1.31 0.00 -3.34 0.54 3.01 -1.26 -4.84 117.46 110.26 1sqj n PHE 131 Ca 0.05 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.38 1sqj n PHE 131 Cb 0.10 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.50 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 -1.46 0.75 0.00 4.37 3.84 -0.72 -5.03 114.94 116.69 1sqj s ASN 132 Ca 0.05 -1.20 0.03 0.00 0.21 0.00 0.00 52.86 51.95 1sqj s ASN 132 Cb 0.07 0.82 0.14 0.00 -0.55 0.00 0.00 41.25 41.73 1sqj s ASN 132 CO 0.27 -0.28 0.84 -1.54 -2.79 0.00 0.00 177.10 173.60 1sqj n SER 133 N 4.55 0.00 0.04 -4.21 3.41 -1.20 -0.54 113.62 115.67 1sqj n SER 133 Ca 0.08 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 1sqj n SER 133 Cb 0.47 -0.22 0.19 0.00 -0.26 0.00 0.00 64.21 64.39 1sqj n SER 133 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sqj n ASN 134 N -1.22 0.63 -4.54 4.04 3.02 -1.26 -4.80 115.26 111.13 1sqj n ASN 134 Ca 0.01 0.02 -0.37 0.00 -0.03 0.00 0.00 54.58 54.22 1sqj n ASN 134 Cb 0.02 0.21 -0.11 0.00 -0.61 0.00 0.00 39.78 39.28 1sqj n ASN 134 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1sqj s GLU 135 N -3.13 3.84 -0.05 3.52 2.12 0.30 -0.68 118.70 124.62 1sqj s GLU 135 Ca 0.07 -0.39 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1sqj s GLU 135 Cb 0.15 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 31.09 1sqj s GLU 135 CO 0.72 -0.10 -0.15 0.08 -0.54 0.00 0.00 175.26 175.26 1sqj s VAL 136 N 1.45 1.28 0.17 3.70 1.01 0.42 -1.53 120.40 126.90 1sqj s VAL 136 Ca 0.06 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.53 1sqj s VAL 136 Cb -0.15 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1sqj s VAL 136 CO 0.06 0.38 -0.20 0.26 0.00 0.00 0.00 175.10 175.59 1sqj s TRP 137 N 0.21 2.42 -0.07 5.22 0.52 0.37 0.17 118.94 127.79 1sqj s TRP 137 Ca -0.07 -0.31 -0.03 0.00 0.02 0.00 0.00 56.10 55.71 1sqj s TRP 137 Cb -0.12 -1.23 0.04 0.00 -1.15 0.00 0.00 33.47 31.01 1sqj s TRP 137 CO 0.02 0.46 0.15 1.41 0.02 0.00 0.00 176.95 179.01 1sqj s MET 138 N -2.51 0.10 -0.33 4.98 1.75 -0.68 -0.66 119.30 121.96 1sqj s MET 138 Ca 0.20 0.38 -0.18 0.00 -1.25 0.00 0.00 55.69 54.83 1sqj s MET 138 Cb -0.09 -0.17 -0.01 0.00 2.84 0.00 0.00 34.83 37.40 1sqj s MET 138 CO 0.10 -0.16 0.52 0.20 -0.65 0.00 0.00 175.02 175.04 1sqj s GLY 139 N 1.14 1.82 0.38 2.11 0.00 -0.14 -2.10 107.32 110.53 1sqj s GLY 139 Ca -0.09 -0.90 0.04 0.00 0.00 0.00 0.00 44.72 43.77 1sqj s GLY 139 CO -0.06 1.28 0.54 -0.51 0.00 0.00 0.00 173.10 174.35 1sqj s THR 140 N 2.41 4.08 -0.09 0.90 -4.23 -0.20 -4.63 115.64 113.87 1sqj s THR 140 Ca 0.20 -0.81 0.13 0.00 -1.18 0.00 0.00 61.69 60.03 1sqj s THR 140 Cb -0.15 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 1sqj s THR 140 CO 0.12 -0.23 1.32 0.03 -0.54 0.00 0.00 174.62 175.33 1sqj h ARG 141 N 0.71 0.00 0.00 3.99 3.08 -1.79 -2.16 114.38 118.21 1sqj h ARG 141 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1sqj h ARG 141 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1sqj h ARG 141 CO 0.55 0.59 -0.00 0.25 -1.07 0.00 0.00 179.97 180.29 1sqj n THR 142 N -3.21 0.00 -2.31 2.04 -2.24 -1.26 -0.36 114.28 106.93 1sqj n THR 142 Ca -0.00 -0.22 0.03 0.00 -2.27 0.00 0.00 64.05 61.59 1sqj n THR 142 Cb 0.80 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 70.05 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 -0.45 0.07 0.00 -0.78 1.02 -1.26 -4.92 120.64 114.33 1sqj n GLU 143 Ca 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 57.16 55.35 1sqj n GLU 143 Cb 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 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 0.28 0.37 3.52 0.62 0.00 -1.26 -4.82 105.19 103.91 1sqj n GLY 144 Ca 0.05 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 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 3.35 0.06 -0.61 1.01 -1.26 -1.04 121.20 122.71 1sqj s ILE 145 Ca 0.00 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1sqj s ILE 145 Cb 0.00 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 1sqj s ILE 145 CO 0.00 0.59 -0.13 0.26 0.00 0.00 0.00 174.94 175.66 1sqj s TRP 146 N -0.77 1.13 -0.02 3.97 0.52 -0.89 -0.27 118.94 122.61 1sqj s TRP 146 Ca 0.12 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.84 1sqj s TRP 146 Cb -0.11 -0.65 -0.01 0.00 -1.15 0.00 0.00 33.47 31.56 1sqj s TRP 146 CO 0.01 0.03 -0.15 0.21 0.02 0.00 0.00 176.95 177.07 1sqj s LYS 147 N -1.61 1.38 -0.08 4.98 2.20 0.03 -1.68 119.74 124.96 1sqj s LYS 147 Ca -0.03 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 55.10 1sqj s LYS 147 Cb -0.10 -1.27 -0.01 0.00 -1.51 0.00 0.00 37.83 34.94 1sqj s LYS 147 CO 0.02 0.26 -0.19 0.45 -0.36 0.00 0.00 175.35 175.53 1sqj s SER 148 N -0.13 3.53 0.00 1.43 0.15 0.13 -1.06 113.70 117.75 1sqj s SER 148 Ca 0.01 -0.40 0.21 0.00 0.70 0.00 0.00 55.95 56.47 1sqj s SER 148 Cb -0.08 -1.11 0.22 0.00 -1.71 0.00 0.00 66.02 63.34 1sqj s SER 148 CO 0.01 0.24 1.20 -1.20 1.20 0.00 0.00 173.24 174.69 1sqj n SER 149 N 3.02 2.87 -2.38 5.45 7.64 -1.26 -0.44 113.62 128.53 1sqj n SER 149 Ca -0.18 -1.89 -0.16 0.00 1.01 0.00 0.00 58.87 57.65 1sqj n SER 149 Cb 0.52 -0.06 0.03 0.00 -1.01 0.00 0.00 64.21 63.69 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 1.21 3.60 -3.65 6.43 3.85 -1.07 -4.50 116.55 122.42 1sqj n ASP 150 Ca 0.13 -3.14 -0.22 0.00 -0.71 0.00 0.00 54.79 50.85 1sqj n ASP 150 Cb 0.53 -0.41 0.06 0.00 -1.35 0.00 0.00 41.12 39.94 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 -0.59 -6.05 -0.26 0.11 1.74 0.14 -3.03 116.66 108.72 1sqj n ARG 151 Ca 0.29 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1sqj n ARG 151 Cb 0.86 -5.55 0.00 0.00 -1.02 0.00 0.00 32.46 26.75 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 -4.44 0.00 0.19 7.54 0.00 -1.26 -4.93 120.51 117.61 1sqj n ALA 152 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1sqj n ALA 152 Cb 0.63 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 1sqj n ALA 152 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sqj h LYS 153 N 2.90 -0.74 -5.21 0.00 1.57 -1.95 -3.45 116.57 109.68 1sqj h LYS 153 Ca 0.00 0.05 -0.36 0.00 -1.87 0.00 0.00 60.65 58.47 1sqj h LYS 153 Cb 0.00 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.33 1sqj h LYS 153 CO 0.00 -0.49 -0.72 0.95 -0.57 0.00 0.00 179.45 178.62 1sqj s THR 154 N -5.31 1.33 0.01 -0.16 -4.23 -1.26 -4.91 115.64 101.11 1sqj s THR 154 Ca -0.14 -2.11 -0.00 0.00 -1.18 0.00 0.00 61.69 58.26 1sqj s THR 154 Cb 0.04 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.96 1sqj s THR 154 CO 0.49 -0.70 -0.01 0.26 -0.54 0.00 0.00 174.62 174.13 1sqj s TRP 155 N -3.23 0.13 0.02 3.99 0.52 -1.26 -4.28 118.94 114.84 1sqj s TRP 155 Ca 0.19 -0.26 0.06 0.00 0.02 0.00 0.00 56.10 56.11 1sqj s TRP 155 Cb 0.02 -0.10 -0.02 0.00 -1.15 0.00 0.00 33.47 32.22 1sqj s TRP 155 CO 0.02 -0.11 -0.18 0.95 0.02 0.00 0.00 176.95 177.65 1sqj s THR 156 N -0.78 1.47 0.09 2.01 -4.23 -0.23 -4.96 115.64 109.02 1sqj s THR 156 Ca -0.09 -0.99 -0.30 0.00 -1.18 0.00 0.00 61.69 59.13 1sqj s THR 156 Cb -0.05 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.47 1sqj s THR 156 CO -0.00 0.24 0.96 0.21 -0.54 0.00 0.00 174.62 175.49 1sqj s ASN 157 N -0.88 7.47 -0.62 3.99 3.84 -1.26 -0.79 114.94 126.69 1sqj s ASN 157 Ca 0.06 1.76 -0.25 0.00 0.21 0.00 0.00 52.86 54.65 1sqj s ASN 157 Cb -0.08 -2.58 0.04 0.00 -0.55 0.00 0.00 41.25 38.08 1sqj s ASN 157 CO 0.01 -0.09 1.06 -0.69 -2.79 0.00 0.00 177.10 174.59 1sqj s VAL 158 N 0.15 4.17 -1.02 -5.21 1.01 0.63 -4.87 120.40 115.26 1sqj s VAL 158 Ca 0.47 0.26 0.27 0.00 0.00 0.00 0.00 61.98 62.98 1sqj s VAL 158 Cb -0.23 -4.69 0.10 0.00 0.00 0.00 0.00 36.38 31.57 1sqj s VAL 158 CO 0.29 -1.39 1.61 0.35 0.00 0.00 0.00 175.10 175.97 1sqj n THR 159 N 6.25 0.00 1.46 3.92 -2.24 -1.26 -3.77 114.28 118.64 1sqj n THR 159 Ca 0.02 -0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.87 1sqj n THR 159 Cb 0.48 -0.03 0.46 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.48 0.00 -4.76 3.42 3.41 -1.26 -4.75 113.62 108.20 1sqj n SER 160 Ca 0.06 -0.98 -0.36 0.00 -0.26 0.00 0.00 58.87 57.34 1sqj n SER 160 Cb 0.34 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.00 4.92 0.32 -1.33 1.10 -1.25 -4.14 121.20 118.82 1sqj s ILE 161 Ca 0.23 -0.01 -0.29 0.00 -0.51 0.00 0.00 60.65 60.07 1sqj s ILE 161 Cb 0.11 -3.13 -0.12 0.00 0.15 0.00 0.00 42.46 39.47 1sqj s ILE 161 CO 0.18 0.58 1.51 -2.65 -2.11 0.00 0.00 174.94 172.45 1sqj n PRO 162 N 2.36 2.57 0.00 3.50 -0.02 -1.26 -4.95 135.00 137.21 1sqj n PRO 162 Ca -0.19 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1sqj n PRO 162 Cb 0.54 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1sqj n PRO 162 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sqj n ASP 163 N 1.48 -1.20 -2.67 2.55 10.43 -1.26 -4.78 116.55 121.10 1sqj n ASP 163 Ca 0.06 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.37 1sqj n ASP 163 Cb 0.37 0.00 0.06 0.00 1.84 0.00 0.00 41.12 43.39 1sqj n ASP 163 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sqj n ALA 164 N 0.93 -0.31 0.00 2.24 0.00 -1.26 -4.58 120.51 117.54 1sqj n ALA 164 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1sqj n ALA 164 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.57 0.00 -2.55 0.00 3.72 -1.26 -3.96 117.46 112.83 1sqj n PHE 165 Ca -0.14 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.83 1sqj n PHE 165 Cb 0.76 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.28 1sqj n PHE 165 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1sqj s THR 166 N 0.00 4.30 0.24 4.37 2.01 -1.26 -4.92 115.64 120.38 1sqj s THR 166 Ca 0.00 1.44 -0.30 0.00 0.31 0.00 0.00 61.69 63.14 1sqj s THR 166 Cb 0.00 -4.37 -0.10 0.00 0.01 0.00 0.00 72.50 68.04 1sqj s THR 166 CO 0.00 -0.62 1.37 0.21 -0.69 0.00 0.00 174.62 174.89 1sqj s ASN 167 N 2.30 6.77 0.00 3.53 3.84 -1.25 -0.59 114.94 129.53 1sqj s ASN 167 Ca 0.50 2.57 0.00 0.00 0.21 0.00 0.00 52.86 56.14 1sqj s ASN 167 Cb -0.12 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 1sqj s ASN 167 CO 0.22 -0.61 0.00 0.61 -2.79 0.00 0.00 177.10 174.54 1sqj n GLY 168 N 2.04 3.01 0.06 1.21 0.00 0.51 -4.80 105.19 107.22 1sqj n GLY 168 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.79 1.12 -4.06 -0.61 2.08 -0.27 -4.79 119.36 112.03 1sqj n ILE 169 Ca 0.00 0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.55 1sqj n ILE 169 Cb 0.00 -2.15 0.00 0.00 -0.75 0.00 0.00 39.64 36.74 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 1.52 -0.33 3.59 7.39 0.00 0.24 -4.30 105.19 113.30 1sqj n GLY 170 Ca -0.09 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 3.17 -0.98 1.61 2.02 -0.81 -3.11 117.35 119.25 1sqj s TYR 171 Ca 0.00 0.58 0.23 0.00 -0.37 0.00 0.00 57.07 57.51 1sqj s TYR 171 Cb 0.00 -3.17 0.13 0.00 -0.40 0.00 0.00 41.96 38.52 1sqj s TYR 171 CO 0.00 -0.59 1.15 0.25 -1.57 0.00 0.00 175.55 174.79 1sqj n THR 172 N 5.56 0.01 -3.72 -0.71 -2.24 -0.35 -4.03 114.28 108.80 1sqj n THR 172 Ca 0.01 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1sqj n THR 172 Cb 0.48 0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 69.23 1sqj n THR 172 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1sqj s SER 173 N -3.05 -0.36 -0.11 3.42 1.04 -0.90 -3.60 113.70 110.13 1sqj s SER 173 Ca 0.09 0.52 -0.02 0.00 0.48 0.00 0.00 55.95 57.02 1sqj s SER 173 Cb 0.17 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.92 1sqj s SER 173 CO 0.79 -0.32 0.01 -0.69 0.98 0.00 0.00 173.24 174.01 1sqj s VAL 174 N -0.57 0.46 -0.06 5.02 1.01 -1.12 -0.52 120.40 124.63 1sqj s VAL 174 Ca -0.07 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1sqj s VAL 174 Cb -0.04 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1sqj s VAL 174 CO 0.03 0.11 -0.09 -0.63 0.00 0.00 0.00 175.10 174.52 1sqj s ILE 175 N 1.92 0.89 0.10 2.22 1.01 -0.23 -4.63 121.20 122.48 1sqj s ILE 175 Ca 0.03 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 1sqj s ILE 175 Cb -0.14 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.42 1sqj s ILE 175 CO -0.06 0.30 0.48 -0.36 0.00 0.00 0.00 174.94 175.29 1sqj s PHE 176 N 0.79 3.61 -0.52 3.97 0.40 -1.26 -0.23 117.98 124.74 1sqj s PHE 176 Ca -0.13 0.95 -0.28 0.00 -0.60 0.00 0.00 56.93 56.87 1sqj s PHE 176 Cb -0.15 -2.28 0.01 0.00 0.51 0.00 0.00 43.02 41.11 1sqj s PHE 176 CO 0.02 0.49 1.41 0.34 0.70 0.00 0.00 175.22 178.18 1sqj s ASP 177 N -1.66 6.19 0.15 1.36 -1.08 -0.81 -4.88 116.67 115.94 1sqj s ASP 177 Ca 0.34 0.43 0.15 0.00 -0.52 0.00 0.00 52.55 52.95 1sqj s ASP 177 Cb -0.15 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.47 1sqj s ASP 177 CO 0.18 -1.63 1.46 -0.81 0.52 0.00 0.00 175.17 174.89 1sqj n PRO 178 N 8.49 0.09 0.00 4.34 -0.04 -1.26 -2.38 135.00 144.23 1sqj n PRO 178 Ca 0.13 0.46 0.11 0.00 -0.04 0.00 0.00 63.50 64.16 1sqj n PRO 178 Cb 0.49 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1sqj n PRO 178 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1sqj n GLU 179 N -1.89 1.38 -3.36 0.54 -0.58 -1.26 -4.90 120.64 110.57 1sqj n GLU 179 Ca 0.01 -1.05 -0.12 0.00 -0.42 0.00 0.00 57.16 55.58 1sqj n GLU 179 Cb 0.10 -1.44 -0.08 0.00 -0.57 0.00 0.00 31.44 29.45 1sqj n GLU 179 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1sqj s ARG 180 N -2.33 0.35 0.28 3.49 3.52 -1.00 -5.13 118.95 118.13 1sqj s ARG 180 Ca 0.18 0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 55.66 1sqj s ARG 180 Cb 0.17 -0.53 -0.12 0.00 -1.56 0.00 0.00 34.95 32.91 1sqj s ARG 180 CO 0.52 -0.89 1.48 -1.71 -0.81 0.00 0.00 175.30 173.88 1sqj n ASN 181 N 5.34 3.28 0.00 -2.12 5.15 -1.26 -2.57 115.26 123.08 1sqj n ASN 181 Ca -0.02 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 1sqj n ASN 181 Cb 0.49 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.22 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 1.87 2.04 3.62 8.20 0.00 -1.26 -4.89 105.19 114.76 1sqj n GLY 182 Ca 0.09 0.00 -0.38 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 -2.34 5.30 0.05 2.61 2.01 -1.06 0.49 115.64 122.71 1sqj s THR 183 Ca 0.00 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.28 1sqj s THR 183 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1sqj s THR 183 CO 0.00 0.27 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.46 1sqj s ILE 184 N 1.57 0.79 -0.19 1.82 1.01 -0.57 -1.93 121.20 123.70 1sqj s ILE 184 Ca 0.09 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.58 1sqj s ILE 184 Cb -0.15 -0.80 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 1sqj s ILE 184 CO 0.09 -0.29 -0.11 -0.31 0.00 0.00 0.00 174.94 174.33 1sqj s TYR 185 N -1.27 2.87 -0.19 3.97 1.51 0.67 -1.20 117.35 123.71 1sqj s TYR 185 Ca -0.06 -1.05 -0.02 0.00 -1.01 0.00 0.00 57.07 54.93 1sqj s TYR 185 Cb -0.10 -1.99 -0.00 0.00 -0.11 0.00 0.00 41.96 39.76 1sqj s TYR 185 CO 0.01 -0.53 -0.10 0.00 -1.11 0.00 0.00 175.55 173.82 1sqj s ALA 186 N 1.15 2.66 -0.11 3.71 0.00 -0.63 -1.07 121.76 127.47 1sqj s ALA 186 Ca 0.01 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1sqj s ALA 186 Cb -0.14 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.51 1sqj s ALA 186 CO -0.03 -0.27 -0.16 -1.12 0.00 0.00 0.00 175.76 174.17 1sqj s SER 187 N 1.21 2.53 0.12 0.00 0.01 0.32 -0.86 113.70 117.04 1sqj s SER 187 Ca 0.02 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.74 1sqj s SER 187 Cb -0.14 -1.14 -0.06 0.00 0.21 0.00 0.00 66.02 64.89 1sqj s SER 187 CO -0.04 0.02 0.43 0.00 0.41 0.00 0.00 173.24 174.06 1sqj s ALA 188 N 1.01 3.70 -1.09 1.44 0.00 0.75 -1.21 121.76 126.36 1sqj s ALA 188 Ca -0.06 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.35 1sqj s ALA 188 Cb -0.15 -2.29 0.11 0.00 0.00 0.00 0.00 23.12 20.79 1sqj s ALA 188 CO -0.02 0.57 1.40 0.99 0.00 0.00 0.00 175.76 178.70 1sqj s THR 189 N -1.52 4.48 -0.05 0.00 2.01 -1.18 -4.07 115.64 115.31 1sqj s THR 189 Ca 0.37 -1.71 -0.29 0.00 0.31 0.00 0.00 61.69 60.38 1sqj s THR 189 Cb -0.13 -4.96 0.11 0.00 0.01 0.00 0.00 72.50 67.52 1sqj s THR 189 CO 0.20 -1.75 0.89 0.00 -0.69 0.00 0.00 174.62 173.27 1sqj s ALA 190 N 3.28 -1.84 -0.06 7.40 0.00 -1.26 -4.52 121.76 124.76 1sqj s ALA 190 Ca 0.43 1.19 -0.38 0.00 0.00 0.00 0.00 51.96 53.19 1sqj s ALA 190 Cb -0.01 0.07 -0.16 0.00 0.00 0.00 0.00 23.12 23.01 1sqj s ALA 190 CO -0.04 -0.55 1.48 -2.30 0.00 0.00 0.00 175.76 174.36 1sqj n PRO 191 N 0.14 1.10 -4.05 0.00 -0.02 -1.26 -1.30 135.00 129.61 1sqj n PRO 191 Ca -0.10 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 1sqj n PRO 191 Cb 0.60 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 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 3.56 -3.79 0.00 -0.52 6.02 -1.26 -4.88 117.38 116.51 1sqj n GLN 192 Ca 0.22 0.44 0.08 0.00 -0.01 0.00 0.00 57.00 57.73 1sqj n GLN 192 Cb 0.16 -5.01 0.49 0.00 1.02 0.00 0.00 30.24 26.90 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 -1.65 -0.89 3.62 1.08 0.00 -0.42 -4.85 105.19 102.08 1sqj n GLY 193 Ca -0.07 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 0.28 1.61 -1.94 -1.26 -0.18 119.30 119.90 1sqj s MET 194 Ca 0.25 0.37 0.12 0.00 -1.71 0.00 0.00 55.69 54.71 1sqj s MET 194 Cb 0.11 -3.64 -0.05 0.00 2.01 0.00 0.00 34.83 33.26 1sqj s MET 194 CO 0.19 -0.35 -0.17 0.71 -0.01 0.00 0.00 175.02 175.39 1sqj s TYR 195 N 2.29 2.34 -0.01 -0.03 1.51 -0.03 -1.31 117.35 122.10 1sqj s TYR 195 Ca 0.22 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 55.93 1sqj s TYR 195 Cb -0.16 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.65 1sqj s TYR 195 CO 0.09 0.70 0.04 0.54 -1.11 0.00 0.00 175.55 175.81 1sqj s VAL 196 N -2.50 0.03 0.11 0.71 0.11 -0.48 -1.60 120.40 116.78 1sqj s VAL 196 Ca 0.30 -0.23 0.08 0.00 -2.93 0.00 0.00 61.98 59.21 1sqj s VAL 196 Cb -0.05 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 1sqj s VAL 196 CO 0.16 -0.12 -0.21 0.28 -3.33 0.00 0.00 175.10 171.87 1sqj s THR 197 N -0.36 1.73 0.00 5.04 -1.32 -0.34 -1.11 115.64 119.27 1sqj s THR 197 Ca -0.04 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 1sqj s THR 197 Cb -0.03 -1.58 0.00 0.00 -1.51 0.00 0.00 72.50 69.38 1sqj s THR 197 CO -0.00 -0.07 0.44 1.41 -2.21 0.00 0.00 174.62 174.19 1sqj n HIS 198 N 1.03 0.00 -1.76 9.09 8.25 -1.24 -1.51 115.22 129.08 1sqj n HIS 198 Ca -0.19 -0.04 -0.15 0.00 -0.26 0.00 0.00 57.72 57.07 1sqj n HIS 198 Cb 0.54 -0.00 0.10 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 -0.04 4.10 -1.02 0.41 3.85 -1.13 -4.40 116.55 118.32 1sqj n ASP 199 Ca 0.00 -3.80 -0.13 0.00 -0.71 0.00 0.00 54.79 50.16 1sqj n ASP 199 Cb 0.09 -0.50 -0.05 0.00 -1.35 0.00 0.00 41.12 39.31 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 -0.89 1.25 0.40 6.12 0.00 0.18 -3.34 105.19 108.90 1sqj n GLY 200 Ca 0.39 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.38 0.75 0.21 -0.02 0.00 -1.26 -4.96 105.19 98.53 1sqj n GLY 201 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 1.27 -4.05 1.61 2.07 -1.95 -3.45 116.25 111.75 1sqj h VAL 202 Ca 0.00 -1.31 -0.17 0.00 0.82 0.00 0.00 66.70 66.04 1sqj h VAL 202 Cb 0.00 1.55 -0.19 0.00 -1.52 0.00 0.00 31.29 31.13 1sqj h VAL 202 CO 0.00 0.40 -0.70 -0.94 0.02 0.00 0.00 177.57 176.35 1sqj s SER 203 N -6.87 0.44 0.03 0.57 1.04 -1.26 -4.81 113.70 102.84 1sqj s SER 203 Ca -0.05 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 55.73 1sqj s SER 203 Cb 0.14 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 1sqj s SER 203 CO 0.76 -0.39 -0.11 0.26 0.98 0.00 0.00 173.24 174.74 1sqj s TRP 204 N -2.33 0.94 0.07 5.02 0.52 -1.26 -4.43 118.94 117.47 1sqj s TRP 204 Ca -0.07 -0.36 0.06 0.00 0.02 0.00 0.00 56.10 55.76 1sqj s TRP 204 Cb -0.04 -0.56 -0.03 0.00 -1.15 0.00 0.00 33.47 31.70 1sqj s TRP 204 CO -0.04 -0.01 -0.18 -1.21 0.02 0.00 0.00 176.95 175.54 1sqj s GLU 205 N -1.13 1.06 0.51 4.98 2.02 -0.27 -4.95 118.70 120.91 1sqj s GLU 205 Ca -0.02 -0.97 -0.23 0.00 0.02 0.00 0.00 54.97 53.77 1sqj s GLU 205 Cb -0.08 -1.17 -0.06 0.00 0.10 0.00 0.00 34.13 32.92 1sqj s GLU 205 CO 0.01 0.28 1.34 -2.14 0.02 0.00 0.00 175.26 174.76 1sqj s PRO 206 N -1.55 3.37 0.19 0.39 0.02 -1.26 -1.38 135.00 134.78 1sqj s PRO 206 Ca 0.03 2.19 -0.30 0.00 0.02 0.00 0.00 61.00 62.94 1sqj s PRO 206 Cb -0.09 -2.37 -0.09 0.00 0.02 0.00 0.00 34.50 31.97 1sqj s PRO 206 CO 0.03 -0.99 1.39 0.08 -0.33 0.00 0.00 177.00 177.17 1sqj s VAL 207 N -1.32 3.01 0.27 3.83 1.01 -0.43 -4.80 120.40 121.97 1sqj s VAL 207 Ca 0.68 0.80 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 1sqj s VAL 207 Cb -0.39 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1sqj s VAL 207 CO 0.47 0.10 1.26 0.00 0.00 0.00 0.00 175.10 176.94 1sqj s ALA 208 N 0.39 3.49 -0.36 5.51 0.00 -1.26 -4.03 121.76 125.50 1sqj s ALA 208 Ca 0.60 1.13 -0.00 0.00 0.00 0.00 0.00 51.96 53.69 1sqj s ALA 208 Cb -0.39 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1sqj s ALA 208 CO 0.37 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1sqj n GLY 209 N 1.43 0.21 3.77 0.00 0.00 -1.26 -5.02 105.19 104.32 1sqj n GLY 209 Ca 0.02 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1sqj n GLY 209 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sqj s GLN 210 N -4.23 3.57 -0.01 1.61 -0.21 -1.26 -4.93 119.66 114.21 1sqj s GLN 210 Ca 0.00 1.73 -0.37 0.00 0.02 0.00 0.00 55.36 56.75 1sqj s GLN 210 Cb -0.00 -2.25 -0.16 0.00 1.00 0.00 0.00 33.01 31.61 1sqj s GLN 210 CO 0.00 -0.70 1.53 -2.30 -2.12 0.00 0.00 175.29 171.70 1sqj n PRO 211 N -0.82 1.39 -0.01 2.91 -0.02 -1.26 -4.84 135.00 132.34 1sqj n PRO 211 Ca 0.09 0.50 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 1sqj n PRO 211 Cb 0.49 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 3.74 1.72 -3.61 2.55 3.41 -1.26 -4.40 113.62 115.77 1sqj n SER 212 Ca 0.21 -1.38 -0.11 0.00 -0.26 0.00 0.00 58.87 57.33 1sqj n SER 212 Cb 0.20 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.66 -0.35 0.23 4.04 1.04 -1.26 -4.59 113.70 112.15 1sqj s SER 213 Ca 0.09 -0.28 -0.30 0.00 0.48 0.00 0.00 55.95 55.94 1sqj s SER 213 Cb 0.06 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.65 1sqj s SER 213 CO 0.10 -0.98 0.97 0.26 0.98 0.00 0.00 173.24 174.57 1sqj s TRP 214 N -3.81 3.91 0.48 5.02 0.52 -1.26 -4.53 118.94 119.26 1sqj s TRP 214 Ca 0.05 1.87 -0.23 0.00 0.02 0.00 0.00 56.10 57.81 1sqj s TRP 214 Cb -0.00 -3.04 -0.07 0.00 -1.15 0.00 0.00 33.47 29.21 1sqj s TRP 214 CO -0.09 0.27 1.23 -0.51 0.02 0.00 0.00 176.95 177.87 1sqj s LEU 215 N -1.10 3.97 0.46 2.99 1.43 -1.26 -4.90 118.68 120.27 1sqj s LEU 215 Ca 0.42 2.46 0.12 0.00 -1.03 0.00 0.00 54.13 56.10 1sqj s LEU 215 Cb -0.27 -4.24 1.05 0.00 0.03 0.00 0.00 46.19 42.77 1sqj s LEU 215 CO 0.33 -1.11 2.08 -1.13 0.23 0.00 0.00 176.35 176.75 1sqj h ASN 216 N 1.90 0.27 -0.74 2.29 -0.73 -1.99 -0.94 115.58 115.63 1sqj h ASN 216 Ca -0.50 -0.00 0.02 0.00 1.87 0.00 0.00 56.30 57.68 1sqj h ASN 216 Cb 1.26 -0.06 -0.04 0.00 0.27 0.00 0.00 38.32 39.75 1sqj h ASN 216 CO 0.59 0.19 0.49 -0.09 -0.37 0.00 0.00 177.43 178.24 1sqj h ARG 217 N 0.31 0.95 0.24 6.67 2.43 -1.97 -0.58 114.38 122.42 1sqj h ARG 217 Ca 0.11 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1sqj h ARG 217 Cb 0.08 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1sqj h ARG 217 CO -0.02 0.63 -0.11 1.15 -1.51 0.00 0.00 179.97 180.10 1sqj h THR 218 N 0.97 0.54 0.00 0.20 2.02 -1.55 -3.29 112.91 111.81 1sqj h THR 218 Ca 0.28 -0.94 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 1sqj h THR 218 Cb -0.06 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1sqj h THR 218 CO -0.07 0.14 -0.48 0.71 0.37 0.00 0.00 175.52 176.19 1sqj h THR 219 N -0.96 1.22 0.00 3.16 1.35 -1.56 -3.32 112.91 112.81 1sqj h THR 219 Ca -0.03 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 1sqj h THR 219 Cb 0.47 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1sqj h THR 219 CO 0.05 0.47 0.00 1.23 -0.25 0.00 0.00 175.52 177.02 1sqj h GLY 220 N 1.73 0.00 2.00 5.82 0.00 -1.20 -2.85 103.07 108.57 1sqj h GLY 220 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1sqj h GLY 220 CO 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.43 1sqj h ALA 221 N 2.17 1.34 -1.81 3.60 0.00 -1.65 -3.34 119.26 119.57 1sqj h ALA 221 Ca 0.00 -0.16 -0.52 0.00 0.00 0.00 0.00 54.91 54.23 1sqj h ALA 221 Cb 0.64 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.05 1sqj h ALA 221 CO 0.00 0.22 -1.03 1.19 0.00 0.00 0.00 179.25 179.63 1sqj n PHE 222 N -3.79 -0.78 0.30 0.00 3.72 -1.08 -5.01 117.46 110.83 1sqj n PHE 222 Ca -0.02 -3.32 0.19 0.00 -0.05 0.00 0.00 57.45 54.25 1sqj n PHE 222 Cb 0.28 -0.07 0.96 0.00 -0.94 0.00 0.00 39.48 39.71 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 4.15 0.00 0.00 -1.08 0.11 -1.68 -0.63 132.00 132.87 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 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1sqj h PRO 223 CO 0.43 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.82 1sqj n ASP 224 N -2.91 0.00 -4.22 -2.05 5.75 -1.26 -4.81 116.55 107.05 1sqj n ASP 224 Ca -0.02 0.10 -0.32 0.00 -0.01 0.00 0.00 54.79 54.54 1sqj n ASP 224 Cb 0.13 -0.34 -0.17 0.00 -1.03 0.00 0.00 41.12 39.71 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 -2.68 3.06 -0.28 0.11 -0.14 -0.24 -5.12 119.74 114.45 1sqj s LYS 225 Ca 0.19 -0.87 -0.17 0.00 -1.36 0.00 0.00 55.97 53.75 1sqj s LYS 225 Cb 0.15 -2.32 -0.03 0.00 -1.68 0.00 0.00 37.83 33.95 1sqj s LYS 225 CO 0.36 0.16 0.47 0.21 -0.76 0.00 0.00 175.35 175.79 1sqj s LYS 226 N 0.39 3.98 0.50 1.68 2.47 -1.26 -4.97 119.74 122.53 1sqj s LYS 226 Ca -0.17 0.16 -0.20 0.00 -1.56 0.00 0.00 55.97 54.19 1sqj s LYS 226 Cb -0.18 -3.68 -0.10 0.00 -1.46 0.00 0.00 37.83 32.41 1sqj s LYS 226 CO 0.08 -0.38 0.63 -2.30 0.16 0.00 0.00 175.35 173.54 1sqj n PRO 227 N 5.51 0.68 0.00 4.03 -0.02 -1.26 -4.88 135.00 139.06 1sqj n PRO 227 Ca -0.05 0.25 0.15 0.00 -2.02 0.00 0.00 63.50 61.83 1sqj n PRO 227 Cb 0.50 -1.72 0.74 0.00 -0.02 0.00 0.00 33.50 33.00 1sqj n PRO 227 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqj n ALA 228 N -1.27 2.50 -2.53 3.55 0.00 -1.26 -4.82 120.51 116.67 1sqj n ALA 228 Ca 0.11 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.20 1sqj n ALA 228 Cb 0.44 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.59 2.22 0.28 0.00 1.04 -1.22 -4.96 113.70 108.47 1sqj s SER 229 Ca 0.28 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.98 1sqj s SER 229 Cb 0.20 -0.10 0.41 0.00 0.10 0.00 0.00 66.02 66.63 1sqj s SER 229 CO 0.47 -0.06 1.71 -0.29 0.98 0.00 0.00 173.24 176.05 1sqj h ILE 230 N 3.74 1.27 -4.07 -1.02 6.09 -1.93 -3.45 117.51 118.14 1sqj h ILE 230 Ca -0.42 -1.31 -0.23 0.00 -1.37 0.00 0.00 64.86 61.53 1sqj h ILE 230 Cb 1.19 1.41 -0.15 0.00 0.47 0.00 0.00 36.82 39.75 1sqj h ILE 230 CO 0.46 0.41 -0.66 0.00 -3.07 0.00 0.00 178.15 175.29 1sqj s ALA 231 N -4.43 1.06 0.31 0.18 0.00 -1.26 -4.41 121.76 113.22 1sqj s ALA 231 Ca -0.06 -1.50 -0.28 0.00 0.00 0.00 0.00 51.96 50.12 1sqj s ALA 231 Cb 0.14 0.63 -0.13 0.00 0.00 0.00 0.00 23.12 23.75 1sqj s ALA 231 CO 0.79 -0.39 1.16 -2.30 0.00 0.00 0.00 175.76 175.02 1sqj n PRO 232 N -0.14 1.76 -4.67 0.00 -0.02 -1.26 -4.64 135.00 126.02 1sqj n PRO 232 Ca -0.07 0.62 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 1sqj n PRO 232 Cb 0.63 -2.10 -0.15 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.69 3.30 0.26 -0.52 -0.21 -0.52 -4.25 119.66 116.04 1sqj s GLN 233 Ca 0.57 -0.72 -0.31 0.00 0.02 0.00 0.00 55.36 54.92 1sqj s GLN 233 Cb -0.63 -2.62 -0.12 0.00 1.00 0.00 0.00 33.01 30.63 1sqj s GLN 233 CO 0.61 0.12 1.63 -2.30 -2.12 0.00 0.00 175.29 173.23 1sqj n PRO 234 N 3.79 2.70 -0.02 2.91 -0.02 -1.26 -2.13 135.00 140.96 1sqj n PRO 234 Ca -0.19 0.96 -0.03 0.00 -2.02 0.00 0.00 63.50 62.23 1sqj n PRO 234 Cb 0.52 -2.76 -0.01 0.00 -0.02 0.00 0.00 33.50 31.23 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 2.72 0.18 -4.26 -0.52 2.81 0.14 -4.07 117.12 114.12 1sqj n MET 235 Ca 0.11 0.07 -0.22 0.00 -1.81 0.00 0.00 57.70 55.85 1sqj n MET 235 Cb 0.36 -0.73 -0.12 0.00 -0.71 0.00 0.00 33.22 32.02 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 -1.84 1.06 0.05 0.03 1.02 -1.22 -4.37 119.74 114.46 1sqj s LYS 236 Ca -0.10 -1.15 0.08 0.00 0.02 0.00 0.00 55.97 54.82 1sqj s LYS 236 Cb 0.01 -1.22 -0.03 0.00 -0.52 0.00 0.00 37.83 36.08 1sqj s LYS 236 CO 0.15 0.27 -0.22 0.08 -0.92 0.00 0.00 175.35 174.71 1sqj s VAL 237 N -1.35 1.82 -0.01 3.17 1.01 -1.26 -1.30 120.40 122.47 1sqj s VAL 237 Ca 0.06 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.78 1sqj s VAL 237 Cb -0.09 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1sqj s VAL 237 CO 0.04 0.25 -0.04 0.00 0.00 0.00 0.00 175.10 175.35 1sqj s ALA 238 N -0.81 0.45 -0.11 5.51 0.00 -0.27 -5.00 121.76 121.53 1sqj s ALA 238 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 1sqj s ALA 238 Cb -0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1sqj s ALA 238 CO 0.02 0.06 0.03 -1.17 0.00 0.00 0.00 175.76 174.69 1sqj s LEU 239 N 0.24 3.69 0.11 0.00 0.20 -1.26 -1.65 118.68 120.01 1sqj s LEU 239 Ca -0.02 0.15 -0.00 0.00 0.69 0.00 0.00 54.13 54.94 1sqj s LEU 239 Cb -0.06 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.79 1sqj s LEU 239 CO -0.00 0.32 0.00 0.42 -0.29 0.00 0.00 176.35 176.80 1sqj s THR 240 N -0.55 0.31 0.45 3.68 -4.23 -0.57 -5.03 115.64 109.69 1sqj s THR 240 Ca 0.10 -1.89 0.15 0.00 -1.18 0.00 0.00 61.69 58.87 1sqj s THR 240 Cb -0.12 -1.83 0.33 0.00 1.34 0.00 0.00 72.50 72.22 1sqj s THR 240 CO 0.02 -0.70 1.99 -0.65 -0.54 0.00 0.00 174.62 174.74 1sqj h PRO 241 N 2.95 0.33 0.00 3.99 0.11 -1.99 -3.12 132.00 134.27 1sqj h PRO 241 Ca -0.35 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.47 1sqj h PRO 241 Cb 1.18 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1sqj h PRO 241 CO 0.63 0.22 -2.25 0.09 -0.21 0.00 0.00 178.00 176.48 1sqj n ASN 242 N -4.46 0.04 -3.91 -2.05 5.03 -1.26 -4.81 115.26 103.84 1sqj n ASN 242 Ca 0.09 0.02 -0.16 0.00 0.87 0.00 0.00 54.58 55.40 1sqj n ASN 242 Cb 0.38 1.21 -0.15 0.00 -1.02 0.00 0.00 39.78 40.19 1sqj n ASN 242 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1sqj s PHE 243 N -2.76 0.39 -0.00 3.10 0.40 -1.18 -1.12 117.98 116.81 1sqj s PHE 243 Ca -0.09 -0.06 -0.25 0.00 -0.60 0.00 0.00 56.93 55.92 1sqj s PHE 243 Cb 0.08 -0.32 -0.04 0.00 0.51 0.00 0.00 43.02 43.25 1sqj s PHE 243 CO 0.85 -0.05 0.78 -0.51 0.70 0.00 0.00 175.22 176.99 1sqj s LEU 244 N 0.26 4.39 -0.07 -0.37 1.02 -0.62 -1.51 118.68 121.78 1sqj s LEU 244 Ca -0.03 1.40 0.01 0.00 0.02 0.00 0.00 54.13 55.53 1sqj s LEU 244 Cb -0.06 -3.25 -0.03 0.00 0.02 0.00 0.00 46.19 42.88 1sqj s LEU 244 CO -0.00 -0.08 -0.06 -0.31 0.02 0.00 0.00 176.35 175.91 1sqj s TYR 245 N 0.43 2.95 -0.03 0.29 1.51 -0.66 -0.69 117.35 121.17 1sqj s TYR 245 Ca 0.41 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 1sqj s TYR 245 Cb -0.20 -1.72 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1sqj s TYR 245 CO 0.22 0.32 -0.02 0.08 -1.11 0.00 0.00 175.55 175.05 1sqj s VAL 246 N -0.77 0.29 0.01 0.71 1.01 -0.53 -1.11 120.40 120.01 1sqj s VAL 246 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1sqj s VAL 246 Cb -0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1sqj s VAL 246 CO 0.02 0.15 0.23 0.42 0.00 0.00 0.00 175.10 175.91 1sqj s THR 247 N 0.76 5.37 0.08 3.92 -4.23 -0.42 -1.61 115.64 119.51 1sqj s THR 247 Ca -0.08 -0.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1sqj s THR 247 Cb -0.12 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 1sqj s THR 247 CO -0.01 0.31 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.96 1sqj s TYR 248 N -1.35 1.00 0.37 3.99 1.51 -0.45 0.27 117.35 122.69 1sqj s TYR 248 Ca 0.29 -0.56 -0.14 0.00 -1.01 0.00 0.00 57.07 55.65 1sqj s TYR 248 Cb -0.13 -0.56 0.04 0.00 -0.11 0.00 0.00 41.96 41.20 1sqj s TYR 248 CO 0.19 -0.01 0.73 0.00 -1.11 0.00 0.00 175.55 175.35 1sqj s ALA 249 N -1.85 -0.51 -2.65 3.71 0.00 -0.91 -1.82 121.76 117.74 1sqj s ALA 249 Ca -0.01 -0.85 0.23 0.00 0.00 0.00 0.00 51.96 51.33 1sqj s ALA 249 Cb -0.07 0.77 0.34 0.00 0.00 0.00 0.00 23.12 24.17 1sqj s ALA 249 CO 0.01 -0.96 1.35 -0.40 0.00 0.00 0.00 175.76 175.76 1sqj n ASP 250 N -1.34 3.31 -3.66 0.00 5.75 -0.70 -1.43 116.55 118.48 1sqj n ASP 250 Ca -0.06 -1.99 -0.14 0.00 -0.01 0.00 0.00 54.79 52.58 1sqj n ASP 250 Cb 0.60 -0.16 -0.07 0.00 -1.03 0.00 0.00 41.12 40.46 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 -1.66 -0.33 0.35 2.11 5.04 -1.26 -3.40 117.35 118.21 1sqj s TYR 251 Ca 0.35 0.42 0.22 0.00 -2.44 0.00 0.00 57.07 55.62 1sqj s TYR 251 Cb 0.22 0.23 1.13 0.00 0.35 0.00 0.00 41.96 43.89 1sqj s TYR 251 CO 0.31 -0.54 1.95 -1.35 -1.34 0.00 0.00 175.55 174.59 1sqj h PRO 252 N 3.21 0.00 0.00 4.97 0.11 -1.92 -3.45 132.00 134.92 1sqj h PRO 252 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1sqj h PRO 252 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sqj h PRO 252 CO 0.42 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 1sqj n GLY 253 N -0.47 -2.77 0.03 -0.55 0.00 -1.26 -4.23 105.19 95.94 1sqj n GLY 253 Ca -0.01 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.43 1sqj n GLY 253 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sqj n PRO 254 N -0.59 0.11 -4.15 1.61 -0.04 -1.26 0.02 135.00 130.70 1sqj n PRO 254 Ca 0.00 0.06 -0.27 0.00 -0.04 0.00 0.00 63.50 63.25 1sqj n PRO 254 Cb 0.00 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 31.81 1sqj n PRO 254 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1sqj s TRP 255 N -3.05 2.06 0.00 0.54 1.48 -1.26 -4.69 118.94 114.02 1sqj s TRP 255 Ca 0.11 -0.76 0.00 0.00 -1.06 0.00 0.00 56.10 54.39 1sqj s TRP 255 Cb 0.16 -1.87 0.00 0.00 -1.16 0.00 0.00 33.47 30.60 1sqj s TRP 255 CO 0.63 -0.07 0.00 0.41 -4.06 0.00 0.00 176.95 173.85 1sqj n GLY 256 N -1.46 0.97 3.73 3.67 0.00 -1.26 -4.82 105.19 106.02 1sqj n GLY 256 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.63 4.80 0.00 1.61 1.01 -1.26 -4.78 120.40 118.15 1sqj s VAL 257 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1sqj s VAL 257 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1sqj s VAL 257 CO 0.00 0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.73 1sqj n THR 258 N 3.30 0.00 -4.18 3.92 -2.24 -1.26 -4.54 114.28 109.28 1sqj n THR 258 Ca 0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 1sqj n THR 258 Cb 0.50 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.99 1.09 0.07 4.78 0.08 -1.24 -1.95 117.98 118.83 1sqj s PHE 259 Ca 0.00 -0.65 -0.27 0.00 0.12 0.00 0.00 56.93 56.13 1sqj s PHE 259 Cb 0.00 -0.59 0.09 0.00 -0.57 0.00 0.00 43.02 41.95 1sqj s PHE 259 CO 0.00 0.01 1.14 0.20 -0.10 0.00 0.00 175.22 176.47 1sqj s GLY 260 N -2.47 -0.25 0.25 4.36 0.00 -1.11 -1.73 107.32 106.36 1sqj s GLY 260 Ca 0.06 0.29 -0.07 0.00 0.00 0.00 0.00 44.72 45.00 1sqj s GLY 260 CO 0.00 0.83 0.37 -0.54 0.00 0.00 0.00 173.10 173.76 1sqj s GLU 261 N -2.67 1.51 -0.05 2.90 2.02 -1.19 -4.83 118.70 116.39 1sqj s GLU 261 Ca 0.16 -1.46 0.01 0.00 0.02 0.00 0.00 54.97 53.70 1sqj s GLU 261 Cb 0.01 0.41 0.02 0.00 0.10 0.00 0.00 34.13 34.67 1sqj s GLU 261 CO -0.00 -0.59 -0.04 0.08 0.02 0.00 0.00 175.26 174.72 1sqj s VAL 262 N -3.89 0.55 0.23 2.63 1.01 -1.26 -1.34 120.40 118.33 1sqj s VAL 262 Ca 0.29 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.25 1sqj s VAL 262 Cb 0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 1sqj s VAL 262 CO 0.12 0.24 -0.17 0.26 0.00 0.00 0.00 175.10 175.55 1sqj s TRP 263 N 1.05 1.93 -0.06 5.22 0.52 -0.63 -0.91 118.94 126.05 1sqj s TRP 263 Ca -0.09 -0.48 0.01 0.00 0.02 0.00 0.00 56.10 55.56 1sqj s TRP 263 Cb -0.14 -0.87 0.02 0.00 -1.15 0.00 0.00 33.47 31.33 1sqj s TRP 263 CO -0.01 0.49 -0.06 0.50 0.02 0.00 0.00 176.95 177.90 1sqj s ARG 264 N -3.58 1.07 -0.18 4.98 3.52 0.26 -1.45 118.95 123.57 1sqj s ARG 264 Ca 0.25 -0.15 -0.08 0.00 -0.13 0.00 0.00 55.73 55.63 1sqj s ARG 264 Cb -0.02 -1.09 -0.04 0.00 -1.56 0.00 0.00 34.95 32.23 1sqj s ARG 264 CO 0.10 -0.13 0.08 -1.14 -0.81 0.00 0.00 175.30 173.40 1sqj s GLN 265 N 1.20 3.94 -0.14 5.12 0.74 0.14 -0.44 119.66 130.21 1sqj s GLN 265 Ca -0.06 -0.30 -0.29 0.00 0.05 0.00 0.00 55.36 54.75 1sqj s GLN 265 Cb -0.14 -3.24 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 1sqj s GLN 265 CO -0.02 0.34 1.35 1.21 -0.55 0.00 0.00 175.29 177.63 1sqj s ASN 266 N 0.19 6.88 0.06 6.67 3.04 0.34 -1.59 114.94 130.53 1sqj s ASN 266 Ca 0.06 1.82 0.26 0.00 0.04 0.00 0.00 52.86 55.03 1sqj s ASN 266 Cb -0.12 -2.54 1.05 0.00 -1.54 0.00 0.00 41.25 38.10 1sqj s ASN 266 CO -0.00 -0.80 1.82 0.54 -3.04 0.00 0.00 177.10 175.62 1sqj n ARG 267 N 6.74 0.07 -0.11 0.43 1.74 -0.27 -1.28 116.66 123.98 1sqj n ARG 267 Ca 0.15 0.10 -0.20 0.00 -0.77 0.00 0.00 57.85 57.13 1sqj n ARG 267 Cb 0.44 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 1sqj n ARG 267 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1sqj n THR 268 N -1.71 1.51 0.46 0.55 -1.04 -1.26 -4.71 114.28 108.08 1sqj n THR 268 Ca 0.06 -0.09 0.12 0.00 -2.04 0.00 0.00 64.05 62.09 1sqj n THR 268 Cb 0.33 -2.10 0.08 0.00 -1.82 0.00 0.00 70.33 66.82 1sqj n THR 268 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1sqj n SER 269 N -4.40 0.68 0.00 8.00 3.41 -1.25 -4.98 113.62 115.08 1sqj n SER 269 Ca -0.33 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1sqj n SER 269 Cb 0.67 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 1sqj n SER 269 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sqj n GLY 270 N 1.32 0.53 3.75 5.00 0.00 -0.40 -5.02 105.19 110.35 1sqj n GLY 270 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.21 3.40 -0.20 4.61 0.00 -1.25 -4.74 121.76 121.36 1sqj s ALA 271 Ca 0.00 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 1sqj s ALA 271 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1sqj s ALA 271 CO 0.00 -0.22 0.04 -1.58 0.00 0.00 0.00 175.76 174.00 1sqj s TRP 272 N -0.59 3.12 -0.09 0.00 0.52 -1.26 -0.50 118.94 120.14 1sqj s TRP 272 Ca 0.48 -0.25 0.03 0.00 0.02 0.00 0.00 56.10 56.38 1sqj s TRP 272 Cb -0.31 -2.11 -0.01 0.00 -1.15 0.00 0.00 33.47 29.89 1sqj s TRP 272 CO 0.38 -0.12 -0.20 -0.51 0.02 0.00 0.00 176.95 176.52 1sqj s ASP 273 N 0.89 3.50 -0.61 2.95 1.01 0.42 -4.97 116.67 119.85 1sqj s ASP 273 Ca 0.02 -0.42 -0.28 0.00 0.71 0.00 0.00 52.55 52.59 1sqj s ASP 273 Cb -0.14 -1.23 0.02 0.00 1.01 0.00 0.00 42.92 42.58 1sqj s ASP 273 CO 0.02 0.21 1.40 -0.62 0.21 0.00 0.00 175.17 176.39 1sqj s ASP 274 N 0.05 6.09 -0.15 0.27 2.15 -1.26 -0.57 116.67 123.24 1sqj s ASP 274 Ca -0.08 0.08 0.16 0.00 0.43 0.00 0.00 52.55 53.14 1sqj s ASP 274 Cb -0.15 -2.55 0.62 0.00 -0.30 0.00 0.00 42.92 40.54 1sqj s ASP 274 CO 0.05 -1.78 1.53 2.30 -0.17 0.00 0.00 175.17 177.10 1sqj n ILE 275 N 6.75 2.12 -1.72 4.11 -5.35 -0.09 -5.00 119.36 120.18 1sqj n ILE 275 Ca 0.10 -1.48 -0.59 0.00 -0.27 0.00 0.00 62.75 60.51 1sqj n ILE 275 Cb 0.49 -0.06 -0.08 0.00 -1.74 0.00 0.00 39.64 38.26 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 0.31 0.27 -1.66 7.28 -1.04 -0.71 -4.81 114.28 113.92 1sqj n THR 276 Ca 0.23 -0.05 -0.47 0.00 -2.04 0.00 0.00 64.05 61.72 1sqj n THR 276 Cb 0.91 -1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 68.23 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 5.25 2.04 -3.82 -2.82 -0.02 -1.26 -4.91 135.00 129.46 1sqj n PRO 277 Ca 0.27 0.74 -0.05 0.00 -2.02 0.00 0.00 63.50 62.44 1sqj n PRO 277 Cb 0.10 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 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 1.53 1.56 0.16 -0.52 1.70 -1.26 -5.05 118.95 117.06 1sqj s ARG 278 Ca 0.82 -0.93 -0.32 0.00 -0.47 0.00 0.00 55.73 54.83 1sqj s ARG 278 Cb -0.72 0.48 -0.12 0.00 -0.57 0.00 0.00 34.95 34.03 1sqj s ARG 278 CO 0.42 -0.72 1.77 0.28 -1.08 0.00 0.00 175.30 175.96 1sqj n VAL 279 N -0.54 0.18 0.00 4.99 0.31 -1.26 -2.36 118.33 119.65 1sqj n VAL 279 Ca -0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1sqj n VAL 279 Cb 0.60 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1sqj n VAL 279 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sqj n GLY 280 N 4.05 2.87 0.18 2.92 0.00 -1.26 -4.88 105.19 109.06 1sqj n GLY 280 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 1.94 -3.93 1.61 6.94 -0.99 -5.06 115.26 115.76 1sqj n ASN 281 Ca 0.00 -1.71 -0.10 0.00 -0.02 0.00 0.00 54.58 52.75 1sqj n ASN 281 Cb 0.00 -0.05 -0.12 0.00 -2.36 0.00 0.00 39.78 37.25 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 -0.75 0.14 -0.01 0.53 1.04 -1.21 -0.05 113.70 113.39 1sqj s SER 282 Ca 0.06 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.22 1sqj s SER 282 Cb 0.03 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1sqj s SER 282 CO 0.05 -0.18 -0.04 -0.55 0.98 0.00 0.00 173.24 173.50 1sqj s SER 283 N -0.87 0.46 0.88 7.02 0.15 -0.28 -3.54 113.70 117.52 1sqj s SER 283 Ca -0.09 -0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.36 1sqj s SER 283 Cb -0.06 -0.08 0.07 0.00 -1.71 0.00 0.00 66.02 64.25 1sqj s SER 283 CO -0.01 0.03 0.85 -2.65 1.20 0.00 0.00 173.24 172.67 1sqj n PRO 284 N 3.11 -0.14 -0.86 5.44 -0.02 -1.26 -1.20 135.00 140.06 1sqj n PRO 284 Ca -0.14 0.02 -0.32 0.00 -2.02 0.00 0.00 63.50 61.04 1sqj n PRO 284 Cb 0.58 -2.16 0.15 0.00 -0.02 0.00 0.00 33.50 32.04 1sqj n PRO 284 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqj n ALA 285 N -3.56 -0.69 -1.51 3.55 0.00 -1.23 -4.66 120.51 112.40 1sqj n ALA 285 Ca 0.10 -0.47 -0.39 0.00 0.00 0.00 0.00 53.44 52.69 1sqj n ALA 285 Cb 0.52 -2.17 0.03 0.00 0.00 0.00 0.00 19.45 17.83 1sqj n ALA 285 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sqj n PRO 286 N -3.56 0.70 -1.68 0.00 -0.02 -1.26 -4.86 135.00 124.31 1sqj n PRO 286 Ca 0.12 0.27 -0.48 0.00 -2.02 0.00 0.00 63.50 61.38 1sqj n PRO 286 Cb 0.51 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.39 2.32 -2.33 6.00 4.19 -1.26 -4.94 117.16 119.75 1sqj n TYR 287 Ca 0.12 0.01 -0.41 0.00 3.31 0.00 0.00 57.90 60.93 1sqj n TYR 287 Cb 0.45 -2.66 -0.03 0.00 0.49 0.00 0.00 39.34 37.59 1sqj n TYR 287 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1sqj s ASN 288 N 3.89 7.04 -0.10 2.98 3.04 -1.26 -3.91 114.94 126.62 1sqj s ASN 288 Ca 0.92 2.29 -0.00 0.00 0.04 0.00 0.00 52.86 56.10 1sqj s ASN 288 Cb -0.70 -2.61 -0.00 0.00 -1.54 0.00 0.00 41.25 36.40 1sqj s ASN 288 CO 0.51 -0.41 0.08 -3.20 -3.04 0.00 0.00 177.10 171.05 1sqj n ASN 289 N 2.47 -2.23 -4.77 -4.21 5.15 -1.26 -5.03 115.26 105.38 1sqj n ASN 289 Ca 0.05 -0.06 -0.41 0.00 -0.60 0.00 0.00 54.58 53.56 1sqj n ASN 289 Cb 0.44 -0.91 -0.02 0.00 -0.53 0.00 0.00 39.78 38.76 1sqj n ASN 289 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1sqj s GLN 290 N -3.57 4.32 0.16 1.20 2.00 -1.25 -4.89 119.66 117.63 1sqj s GLN 290 Ca 0.02 2.27 -0.26 0.00 -2.00 0.00 0.00 55.36 55.39 1sqj s GLN 290 Cb -0.00 -3.07 -0.08 0.00 0.80 0.00 0.00 33.01 30.66 1sqj s GLN 290 CO 0.06 -0.26 0.79 0.99 -0.50 0.00 0.00 175.29 176.37 1sqj s THR 291 N -0.93 4.36 0.19 -0.34 2.01 -1.12 -5.01 115.64 114.80 1sqj s THR 291 Ca 0.51 1.73 -0.30 0.00 0.31 0.00 0.00 61.69 63.94 1sqj s THR 291 Cb -0.41 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 67.86 1sqj s THR 291 CO 0.52 0.51 1.40 0.12 -0.69 0.00 0.00 174.62 176.48 1sqj s PHE 292 N -1.09 3.16 0.34 4.92 5.36 -1.26 -3.96 117.98 125.45 1sqj s PHE 292 Ca 0.36 1.03 0.04 0.00 -0.96 0.00 0.00 56.93 57.40 1sqj s PHE 292 Cb -0.23 -3.73 -0.02 0.00 -0.34 0.00 0.00 43.02 38.71 1sqj s PHE 292 CO 0.27 -2.42 0.51 -1.25 -1.46 0.00 0.00 175.22 170.86 1sqj s PRO 293 N 0.25 3.24 0.50 10.12 0.04 -1.26 -4.65 135.00 143.24 1sqj s PRO 293 Ca 0.61 -0.72 0.29 0.00 0.04 0.00 0.00 61.00 61.22 1sqj s PRO 293 Cb -0.39 -2.75 0.92 0.00 0.04 0.00 0.00 34.50 32.32 1sqj s PRO 293 CO 0.37 0.08 1.82 0.00 0.04 0.00 0.00 177.00 179.31 1sqj h ALA 294 N 0.81 1.00 -0.31 8.56 0.00 -1.69 -3.31 119.26 124.33 1sqj h ALA 294 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sqj h ALA 294 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1sqj h ALA 294 CO 0.57 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1sqj n GLY 295 N 0.49 -1.89 0.00 0.00 0.00 -0.82 -4.09 105.19 98.88 1sqj n GLY 295 Ca 0.02 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 4.84 3.22 -0.02 0.00 0.01 -2.76 105.19 110.48 1sqj n GLY 296 Ca 0.00 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 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 2.06 1.37 0.00 1.61 0.08 -0.75 -0.73 117.98 121.62 1sqj s PHE 297 Ca 0.00 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.53 1sqj s PHE 297 Cb 0.00 -0.73 0.00 0.00 -0.57 0.00 0.00 43.02 41.72 1sqj s PHE 297 CO 0.00 0.12 0.00 0.00 -0.10 0.00 0.00 175.22 175.24 1sqj n GLY 299 N -0.50 -0.56 3.64 0.00 0.00 -1.22 -4.37 105.19 102.17 1sqj n GLY 299 Ca 0.00 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 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 1.18 -0.82 -0.21 0.99 2.96 -1.26 -1.10 118.68 120.43 1sqj s LEU 300 Ca 0.72 1.39 -0.15 0.00 -0.22 0.00 0.00 54.13 55.88 1sqj s LEU 300 Cb -0.93 2.33 0.06 0.00 0.50 0.00 0.00 46.19 48.14 1sqj s LEU 300 CO 0.55 -0.23 0.52 -0.55 -1.32 0.00 0.00 176.35 175.33 1sqj s SER 301 N 1.13 -0.63 -0.11 3.68 0.15 -0.98 -4.83 113.70 112.12 1sqj s SER 301 Ca -0.06 1.10 -0.03 0.00 0.70 0.00 0.00 55.95 57.66 1sqj s SER 301 Cb -0.05 1.04 -0.03 0.00 -1.71 0.00 0.00 66.02 65.27 1sqj s SER 301 CO -0.12 -0.20 0.01 -0.69 1.20 0.00 0.00 173.24 173.44 1sqj s VAL 302 N 0.97 4.37 -0.11 4.45 1.01 -1.26 -0.98 120.40 128.84 1sqj s VAL 302 Ca -0.06 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1sqj s VAL 302 Cb -0.06 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1sqj s VAL 302 CO -0.08 0.57 1.48 -0.62 0.00 0.00 0.00 175.10 176.44 1sqj s ASP 303 N -0.49 6.78 0.57 3.32 -1.08 0.76 -4.82 116.67 121.69 1sqj s ASP 303 Ca 0.09 1.97 0.33 0.00 -0.52 0.00 0.00 52.55 54.42 1sqj s ASP 303 Cb -0.12 -2.54 1.68 0.00 -1.46 0.00 0.00 42.92 40.48 1sqj s ASP 303 CO 0.02 -0.87 2.13 0.00 0.52 0.00 0.00 175.17 176.97 1sqj h ALA 304 N 9.01 1.16 0.00 3.66 0.00 -1.88 -1.13 119.26 130.09 1sqj h ALA 304 Ca -0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1sqj h ALA 304 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sqj h ALA 304 CO 0.96 0.08 -0.55 -2.37 0.00 0.00 0.00 179.25 177.38 1sqj n THR 305 N -3.40 0.03 -3.21 0.00 5.66 -1.26 -4.77 114.28 107.32 1sqj n THR 305 Ca -0.02 -0.02 -0.01 0.00 -3.05 0.00 0.00 64.05 60.95 1sqj n THR 305 Cb 0.21 0.26 -0.02 0.00 -1.55 0.00 0.00 70.33 69.22 1sqj n THR 305 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1sqj s ASN 306 N -3.10 -0.94 0.00 1.09 3.04 -0.43 -5.02 114.94 109.58 1sqj s ASN 306 Ca 0.10 -0.25 0.13 0.00 0.04 0.00 0.00 52.86 52.88 1sqj s ASN 306 Cb 0.17 1.70 0.60 0.00 -1.54 0.00 0.00 41.25 42.18 1sqj s ASN 306 CO 0.71 -0.29 1.40 -0.81 -3.04 0.00 0.00 177.10 175.08 1sqj n PRO 307 N 5.14 0.05 0.01 0.43 -0.04 -1.23 -0.40 135.00 138.96 1sqj n PRO 307 Ca 0.05 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1sqj n PRO 307 Cb 0.53 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 1sqj n PRO 307 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sqj n ASN 308 N -1.44 0.58 -4.49 3.54 5.03 -1.26 -4.80 115.26 112.42 1sqj n ASN 308 Ca 0.04 -0.22 -0.40 0.00 0.87 0.00 0.00 54.58 54.88 1sqj n ASN 308 Cb 0.14 0.35 -0.11 0.00 -1.02 0.00 0.00 39.78 39.14 1sqj n ASN 308 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1sqj s ARG 309 N -3.06 3.40 0.14 3.52 3.52 0.46 -0.78 118.95 126.14 1sqj s ARG 309 Ca 0.09 -0.70 -0.06 0.00 -0.13 0.00 0.00 55.73 54.93 1sqj s ARG 309 Cb 0.16 -3.72 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1sqj s ARG 309 CO 0.73 -0.45 0.19 -0.48 -0.81 0.00 0.00 175.30 174.47 1sqj s LEU 310 N 1.67 1.34 0.18 -0.88 2.34 -0.99 -0.17 118.68 122.17 1sqj s LEU 310 Ca 0.05 -0.96 0.11 0.00 0.06 0.00 0.00 54.13 53.38 1sqj s LEU 310 Cb -0.17 0.84 -0.04 0.00 -0.56 0.00 0.00 46.19 46.25 1sqj s LEU 310 CO 0.09 -0.81 -0.23 0.68 -1.06 0.00 0.00 176.35 175.02 1sqj s VAL 311 N -3.98 2.18 0.03 1.48 -7.23 -0.15 -1.56 120.40 111.17 1sqj s VAL 311 Ca 0.18 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 1sqj s VAL 311 Cb 0.05 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1sqj s VAL 311 CO -0.01 -0.16 0.03 -0.69 -0.31 0.00 0.00 175.10 173.96 1sqj s VAL 312 N -1.71 0.13 -0.01 1.32 1.01 -0.42 -2.31 120.40 118.41 1sqj s VAL 312 Ca 0.18 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1sqj s VAL 312 Cb -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1sqj s VAL 312 CO 0.09 -0.61 -0.01 -0.63 0.00 0.00 0.00 175.10 173.93 1sqj s ILE 313 N -2.27 0.13 0.77 2.22 1.01 -0.26 -0.70 121.20 122.11 1sqj s ILE 313 Ca -0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 1sqj s ILE 313 Cb -0.04 -0.14 0.06 0.00 0.01 0.00 0.00 42.46 42.35 1sqj s ILE 313 CO -0.03 0.06 1.13 0.42 0.00 0.00 0.00 174.94 176.51 1sqj s THR 314 N 0.18 2.81 -0.10 2.92 -4.23 -0.80 -1.12 115.64 115.31 1sqj s THR 314 Ca -0.01 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1sqj s THR 314 Cb -0.03 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 71.11 1sqj s THR 314 CO -0.01 -0.29 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.46 1sqj s LEU 315 N -5.67 1.38 -1.07 4.79 0.20 0.09 -4.61 118.68 113.79 1sqj s LEU 315 Ca 0.66 -0.32 -0.02 0.00 0.69 0.00 0.00 54.13 55.15 1sqj s LEU 315 Cb -0.22 -0.87 0.00 0.00 -0.43 0.00 0.00 46.19 44.68 1sqj s LEU 315 CO 0.51 -0.06 0.20 0.47 -0.29 0.00 0.00 176.35 177.17 1sqj n ASP 316 N 4.57 -4.34 -4.57 3.68 8.00 -1.26 -0.81 116.55 121.81 1sqj n ASP 316 Ca -0.16 -0.10 -0.40 0.00 0.71 0.00 0.00 54.79 54.84 1sqj n ASP 316 Cb 0.51 -3.36 -0.02 0.00 -0.02 0.00 0.00 41.12 38.22 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 -4.98 3.60 -0.29 -1.24 6.06 -1.26 -4.02 118.95 116.82 1sqj s ARG 317 Ca 0.10 -1.53 -0.18 0.00 -2.50 0.00 0.00 55.73 51.62 1sqj s ARG 317 Cb -0.04 -5.42 0.15 0.00 0.06 0.00 0.00 34.95 29.70 1sqj s ARG 317 CO 0.12 -2.52 1.05 0.34 -2.50 0.00 0.00 175.30 171.79 1sqj s ASP 318 N 4.97 -0.41 0.00 -2.12 -1.08 -1.25 -2.88 116.67 113.91 1sqj s ASP 318 Ca 0.54 0.69 0.25 0.00 -0.52 0.00 0.00 52.55 53.52 1sqj s ASP 318 Cb 0.02 1.05 0.93 0.00 -1.46 0.00 0.00 42.92 43.45 1sqj s ASP 318 CO 0.03 -0.11 1.67 -0.81 0.52 0.00 0.00 175.17 176.46 1sqj n PRO 319 N 3.20 1.71 -0.22 4.34 -0.04 -1.26 -4.31 135.00 138.42 1sqj n PRO 319 Ca -0.17 -1.04 0.03 0.00 -0.04 0.00 0.00 63.50 62.28 1sqj n PRO 319 Cb 0.57 -1.45 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.17 -1.96 3.30 0.55 0.00 -1.26 -4.88 105.19 102.10 1sqj n GLY 320 Ca 0.18 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1sqj n GLY 320 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqj s PRO 321 N -0.69 -2.81 0.00 1.61 0.04 -1.26 -4.79 135.00 127.09 1sqj s PRO 321 Ca 0.00 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1sqj s PRO 321 Cb 0.00 -1.38 0.00 0.00 0.04 0.00 0.00 34.50 33.16 1sqj s PRO 321 CO 0.00 -4.83 0.00 0.00 0.04 0.00 0.00 177.00 172.21 1sqj n ALA 322 N -5.62 -1.00 -1.70 8.56 0.00 -1.12 -2.80 120.51 116.83 1sqj n ALA 322 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 1sqj n ALA 322 Cb 0.59 -0.27 0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 1.66 0.00 -4.74 0.00 4.77 -0.08 -4.64 117.00 113.98 1sqj n LEU 323 Ca 0.00 -0.84 -0.38 0.00 -0.03 0.00 0.00 56.01 54.76 1sqj n LEU 323 Cb 0.00 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.66 1sqj n LEU 323 CO 0.00 -0.94 0.94 -1.81 -1.33 0.00 0.00 177.39 174.25 1sqj s ASP 324 N -3.44 4.83 0.04 -1.43 1.01 -1.14 -4.92 116.67 111.61 1sqj s ASP 324 Ca 0.38 2.69 0.05 0.00 0.71 0.00 0.00 52.55 56.38 1sqj s ASP 324 Cb -0.01 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 1sqj s ASP 324 CO 0.27 -1.86 -0.15 -0.44 0.21 0.00 0.00 175.17 173.20 1sqj s SER 325 N -1.22 1.73 -0.17 0.27 0.01 -1.26 -4.88 113.70 108.19 1sqj s SER 325 Ca 0.79 -0.46 -0.08 0.00 1.31 0.00 0.00 55.95 57.50 1sqj s SER 325 Cb -0.39 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 1sqj s SER 325 CO 0.43 0.04 0.12 -0.63 0.41 0.00 0.00 173.24 173.61 1sqj s ILE 326 N -0.85 5.30 -0.06 1.44 1.01 -1.26 -1.90 121.20 124.88 1sqj s ILE 326 Ca 0.02 0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.87 1sqj s ILE 326 Cb -0.08 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1sqj s ILE 326 CO 0.01 0.51 -0.25 -0.31 0.00 0.00 0.00 174.94 174.90 1sqj s TYR 327 N -0.14 2.45 -0.09 3.97 1.51 0.12 -0.76 117.35 124.41 1sqj s TYR 327 Ca 0.10 -0.72 -0.00 0.00 -1.01 0.00 0.00 57.07 55.44 1sqj s TYR 327 Cb -0.12 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1sqj s TYR 327 CO 0.00 -0.21 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.00 1sqj s LEU 328 N -0.17 3.18 0.09 -1.29 0.20 -0.12 -1.30 118.68 119.26 1sqj s LEU 328 Ca -0.04 -0.05 0.08 0.00 0.69 0.00 0.00 54.13 54.82 1sqj s LEU 328 Cb -0.14 -1.71 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 1sqj s LEU 328 CO 0.04 0.32 -0.22 -0.55 -0.29 0.00 0.00 176.35 175.64 1sqj s SER 329 N -0.53 2.64 0.00 3.68 0.15 -0.60 -0.33 113.70 118.72 1sqj s SER 329 Ca 0.08 -0.64 0.08 0.00 0.70 0.00 0.00 55.95 56.16 1sqj s SER 329 Cb -0.12 -0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.06 1sqj s SER 329 CO 0.02 0.11 0.68 0.35 1.20 0.00 0.00 173.24 175.60 1sqj n THR 330 N 1.31 0.00 -2.17 6.45 -2.24 -1.26 -2.34 114.28 114.02 1sqj n THR 330 Ca -0.19 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 60.92 1sqj n THR 330 Cb 0.53 1.14 0.03 0.00 -2.10 0.00 0.00 70.33 69.93 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 0.19 4.32 -1.69 3.42 5.68 -1.17 -4.38 116.55 122.92 1sqj n ASP 331 Ca 0.04 -3.44 -0.15 0.00 -0.50 0.00 0.00 54.79 50.74 1sqj n ASP 331 Cb 0.19 -0.37 -0.01 0.00 -1.14 0.00 0.00 41.12 39.78 1sqj n ASP 331 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sqj n ALA 332 N -0.69 -0.43 -0.38 2.12 0.00 0.04 -2.19 120.51 118.98 1sqj n ALA 332 Ca 0.37 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1sqj n ALA 332 Cb 0.94 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.02 0.71 0.15 0.00 0.00 -1.26 -4.97 105.19 98.79 1sqj n GLY 333 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 0.37 -2.17 4.61 0.00 -1.80 -3.45 119.26 116.82 1sqj h ALA 334 Ca 0.00 -0.11 -0.50 0.00 0.00 0.00 0.00 54.91 54.30 1sqj h ALA 334 Cb 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.54 1sqj h ALA 334 CO 0.00 -0.05 -0.72 0.95 0.00 0.00 0.00 179.25 179.43 1sqj s THR 335 N -5.63 1.90 0.02 0.00 -4.23 -1.26 -4.84 115.64 101.60 1sqj s THR 335 Ca -0.13 -2.24 0.03 0.00 -1.18 0.00 0.00 61.69 58.16 1sqj s THR 335 Cb 0.09 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 1sqj s THR 335 CO 0.72 -0.47 -0.08 0.26 -0.54 0.00 0.00 174.62 174.51 1sqj s TRP 336 N -2.86 0.71 -0.16 3.99 0.52 0.93 -4.32 118.94 117.75 1sqj s TRP 336 Ca 0.26 -0.28 -0.06 0.00 0.02 0.00 0.00 56.10 56.05 1sqj s TRP 336 Cb -0.01 -0.44 -0.04 0.00 -1.15 0.00 0.00 33.47 31.84 1sqj s TRP 336 CO 0.10 -0.03 0.04 0.15 0.02 0.00 0.00 176.95 177.24 1sqj s LYS 337 N -0.78 3.75 -0.74 4.98 -0.14 0.55 -1.13 119.74 126.23 1sqj s LYS 337 Ca -0.02 -0.36 -0.26 0.00 -1.36 0.00 0.00 55.97 53.98 1sqj s LYS 337 Cb -0.06 -3.10 0.04 0.00 -1.68 0.00 0.00 37.83 33.03 1sqj s LYS 337 CO 0.00 0.37 1.21 0.34 -0.76 0.00 0.00 175.35 176.52 1sqj s ASP 338 N 0.07 6.19 0.33 2.83 -1.08 -0.34 -0.94 116.67 123.72 1sqj s ASP 338 Ca 0.04 -0.66 0.05 0.00 -0.52 0.00 0.00 52.55 51.47 1sqj s ASP 338 Cb -0.12 -2.52 0.58 0.00 -1.46 0.00 0.00 42.92 39.39 1sqj s ASP 338 CO 0.01 -1.72 1.82 0.58 0.52 0.00 0.00 175.17 176.39 1sqj h VAL 339 N 6.05 1.22 0.09 1.11 2.07 -1.28 -2.41 116.25 123.10 1sqj h VAL 339 Ca -0.25 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1sqj h VAL 339 Cb 1.05 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1sqj h VAL 339 CO 1.26 0.32 -0.04 0.74 0.02 0.00 0.00 177.57 179.87 1sqj h THR 340 N 0.38 1.07 -0.69 2.57 2.02 -1.89 -1.36 112.91 115.00 1sqj h THR 340 Ca 0.07 -0.58 0.07 0.00 0.77 0.00 0.00 66.41 66.74 1sqj h THR 340 Cb 0.48 1.44 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 1sqj h THR 340 CO 0.03 0.14 0.38 1.56 0.37 0.00 0.00 175.52 178.00 1sqj h GLN 341 N -0.38 0.67 0.00 6.66 4.20 -1.86 -2.37 115.11 122.03 1sqj h GLN 341 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1sqj h GLN 341 Cb 0.32 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1sqj h GLN 341 CO 0.02 0.45 0.00 -0.07 -0.67 0.00 0.00 178.83 178.55 1sqj h LEU 342 N 0.69 0.00 -0.02 1.46 3.38 -1.37 -1.85 115.31 117.61 1sqj h LEU 342 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1sqj h LEU 342 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sqj h LEU 342 CO -0.20 0.00 -0.32 -1.20 0.09 0.00 0.00 178.44 176.81 1sqj n SER 343 N -2.74 0.36 -4.81 -0.43 7.64 -0.52 -3.94 113.62 109.17 1sqj n SER 343 Ca 0.03 -0.05 -0.36 0.00 1.01 0.00 0.00 58.87 59.50 1sqj n SER 343 Cb 0.38 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.52 1sqj n SER 343 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1sqj s SER 344 N -2.97 7.08 0.64 6.43 0.01 -0.70 -4.76 113.70 119.43 1sqj s SER 344 Ca 0.13 1.46 -0.17 0.00 1.31 0.00 0.00 55.95 58.69 1sqj s SER 344 Cb 0.18 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 1sqj s SER 344 CO 0.63 0.01 1.16 -2.16 0.41 0.00 0.00 173.24 173.29 1sqj s PRO 345 N -2.04 2.79 0.98 12.44 0.04 -1.26 -5.02 135.00 142.93 1sqj s PRO 345 Ca 0.45 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 1sqj s PRO 345 Cb -0.16 -1.93 0.18 0.00 0.04 0.00 0.00 34.50 32.63 1sqj s PRO 345 CO 0.21 -1.31 1.16 -1.54 0.04 0.00 0.00 177.00 175.56 1sqj s SER 346 N -2.03 2.86 -1.12 6.66 1.04 -1.26 -4.42 113.70 115.42 1sqj s SER 346 Ca 0.73 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1sqj s SER 346 Cb -0.26 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.61 1sqj s SER 346 CO 0.37 -2.94 0.00 0.59 0.98 0.00 0.00 173.24 172.24 1sqj n ASN 347 N -4.00 -4.07 -0.70 7.02 3.02 -1.26 -4.92 115.26 110.35 1sqj n ASN 347 Ca 0.09 0.10 0.10 0.00 -0.03 0.00 0.00 54.58 54.84 1sqj n ASN 347 Cb 0.59 -3.04 0.06 0.00 -0.61 0.00 0.00 39.78 36.78 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 -1.60 2.43 -3.53 3.41 4.77 -1.26 -5.02 117.00 116.20 1sqj n LEU 348 Ca -0.14 -0.94 -0.23 0.00 -0.03 0.00 0.00 56.01 54.68 1sqj n LEU 348 Cb 0.53 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.67 1sqj n LEU 348 CO 0.17 0.43 -0.03 -0.62 -1.33 0.00 0.00 177.39 176.01 1sqj n GLU 349 N 0.81 -2.67 0.00 3.23 1.02 -1.26 -2.08 120.64 119.69 1sqj n GLU 349 Ca 0.11 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 1sqj n GLU 349 Cb 0.47 -5.02 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 1sqj n GLU 349 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sqj n GLY 350 N -1.48 3.01 3.47 0.62 0.00 -1.26 -4.44 105.19 105.10 1sqj n GLY 350 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1sqj n GLY 350 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sqj s ASN 351 N -0.73 6.88 0.84 1.61 0.01 -0.88 -0.90 114.94 121.77 1sqj s ASN 351 Ca 0.00 -2.57 -0.11 0.00 -0.71 0.00 0.00 52.86 49.47 1sqj s ASN 351 Cb 0.00 -2.42 0.09 0.00 0.41 0.00 0.00 41.25 39.34 1sqj s ASN 351 CO 0.00 -0.91 1.10 0.26 -1.51 0.00 0.00 177.10 176.03 1sqj s TRP 352 N 2.27 2.34 -0.01 2.20 0.23 -1.26 -4.84 118.94 119.87 1sqj s TRP 352 Ca 0.40 1.50 -0.30 0.00 -2.03 0.00 0.00 56.10 55.67 1sqj s TRP 352 Cb -0.03 -3.12 0.12 0.00 0.03 0.00 0.00 33.47 30.47 1sqj s TRP 352 CO -0.03 -2.16 1.25 0.20 0.96 0.00 0.00 176.95 177.17 1sqj s GLY 353 N -3.28 -0.39 -0.09 0.98 0.00 -1.26 -3.79 107.32 99.49 1sqj s GLY 353 Ca 0.63 0.70 -0.09 0.00 0.00 0.00 0.00 44.72 45.96 1sqj s GLY 353 CO 0.57 0.14 0.21 0.30 0.00 0.00 0.00 173.10 174.32 1sqj s HIS 354 N -2.52 3.63 0.33 1.90 3.76 -0.13 -4.08 115.29 118.18 1sqj s HIS 354 Ca 0.14 0.65 -0.28 0.00 -0.15 0.00 0.00 55.06 55.42 1sqj s HIS 354 Cb 0.04 -2.04 -0.13 0.00 1.11 0.00 0.00 32.58 31.57 1sqj s HIS 354 CO -0.03 0.71 1.18 -0.35 -0.85 0.00 0.00 174.74 175.39 1sqj n PRO 355 N 1.96 1.81 0.25 8.40 -0.04 -1.26 -0.42 135.00 145.69 1sqj n PRO 355 Ca -0.18 0.64 0.08 0.00 -0.04 0.00 0.00 63.50 63.99 1sqj n PRO 355 Cb 0.54 -2.15 0.62 0.00 -0.04 0.00 0.00 33.50 32.47 1sqj n PRO 355 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1sqj h THR 356 N 2.28 0.98 0.00 0.52 2.02 -1.25 -1.34 112.91 116.13 1sqj h THR 356 Ca -0.44 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1sqj h THR 356 Cb 1.31 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1sqj h THR 356 CO 0.61 0.08 0.07 -1.13 0.37 0.00 0.00 175.52 175.53 1sqj h ASN 357 N 0.00 0.00 0.68 4.18 -1.24 -1.90 -0.38 115.58 116.92 1sqj h ASN 357 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1sqj h ASN 357 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1sqj h ASN 357 CO 0.01 0.00 -0.31 0.00 -1.29 0.00 0.00 177.43 175.84 1sqj n ALA 358 N -1.93 3.10 -1.49 1.57 0.00 -0.50 -4.44 120.51 116.82 1sqj n ALA 358 Ca -0.02 -0.26 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1sqj n ALA 358 Cb 0.12 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1sqj n ALA 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqj n ALA 359 N -1.49 5.94 -2.68 0.00 0.00 -0.15 -4.32 120.51 117.80 1sqj n ALA 359 Ca 0.06 -3.61 -0.14 0.00 0.00 0.00 0.00 53.44 49.75 1sqj n ALA 359 Cb 0.34 -3.47 -0.11 0.00 0.00 0.00 0.00 19.45 16.21 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 3.05 0.67 0.92 0.00 0.52 -1.26 -0.77 118.95 122.08 1sqj s ARG 360 Ca 0.55 -0.93 -0.10 0.00 -0.52 0.00 0.00 55.73 54.72 1sqj s ARG 360 Cb 0.15 -0.41 0.14 0.00 0.52 0.00 0.00 34.95 35.35 1sqj s ARG 360 CO -0.06 0.07 1.10 0.66 0.02 0.00 0.00 175.30 177.09 1sqj n TYR 361 N 1.09 0.69 -0.24 -0.53 0.53 -0.08 -0.47 117.16 118.15 1sqj n TYR 361 Ca -0.20 0.39 0.05 0.00 -1.02 0.00 0.00 57.90 57.12 1sqj n TYR 361 Cb 0.56 -1.99 0.29 0.00 -1.03 0.00 0.00 39.34 37.18 1sqj n TYR 361 CO 0.00 0.00 0.00 -0.22 -1.02 0.00 0.00 176.86 175.62 1sqj h LYS 362 N -1.86 0.87 0.00 -0.72 3.64 -1.91 0.58 116.57 117.17 1sqj h LYS 362 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1sqj h LYS 362 Cb 1.27 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1sqj h LYS 362 CO 0.41 0.58 0.00 -0.40 -2.27 0.00 0.00 179.45 177.76 1sqj n ASP 363 N -4.48 0.00 0.00 4.20 3.85 -1.26 -4.85 116.55 114.01 1sqj n ASP 363 Ca 0.12 -0.82 0.00 0.00 -0.71 0.00 0.00 54.79 53.38 1sqj n ASP 363 Cb 0.20 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 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 0.08 0.50 3.65 6.12 0.00 0.20 -5.05 105.19 110.68 1sqj n GLY 364 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.21 3.86 0.51 2.61 2.01 -1.24 -4.71 115.64 116.46 1sqj s THR 365 Ca 0.00 1.02 -0.22 0.00 0.31 0.00 0.00 61.69 62.81 1sqj s THR 365 Cb 0.00 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 1sqj s THR 365 CO 0.00 -0.15 1.22 -2.16 -0.69 0.00 0.00 174.62 172.83 1sqj s PRO 366 N 4.00 3.46 -0.78 4.92 0.04 -1.26 -0.90 135.00 144.49 1sqj s PRO 366 Ca 0.66 1.89 0.02 0.00 0.04 0.00 0.00 61.00 63.61 1sqj s PRO 366 Cb -0.27 -2.27 0.19 0.00 0.04 0.00 0.00 34.50 32.19 1sqj s PRO 366 CO 0.24 -0.83 0.60 0.08 0.04 0.00 0.00 177.00 177.14 1sqj s VAL 367 N -1.51 3.51 0.25 -0.36 1.01 0.05 -4.46 120.40 118.90 1sqj s VAL 367 Ca 0.68 -4.05 -0.05 0.00 0.00 0.00 0.00 61.98 58.56 1sqj s VAL 367 Cb -0.32 -3.25 0.16 0.00 0.00 0.00 0.00 36.38 32.98 1sqj s VAL 367 CO 0.37 -1.03 1.81 -0.65 0.00 0.00 0.00 175.10 175.60 1sqj h PRO 368 N 5.72 1.05 -0.03 2.72 0.11 -1.82 -2.33 132.00 137.42 1sqj h PRO 368 Ca 0.14 -0.19 0.01 0.00 0.11 0.00 0.00 66.00 66.07 1sqj h PRO 368 Cb 0.79 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 1sqj h PRO 368 CO 0.77 0.87 0.08 0.11 -0.21 0.00 0.00 178.00 179.63 1sqj h TRP 369 N 1.02 0.00 -0.04 0.65 5.08 -1.80 -3.07 115.95 117.78 1sqj h TRP 369 Ca 0.23 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.21 1sqj h TRP 369 Cb 0.23 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.39 1sqj h TRP 369 CO 0.02 0.00 0.09 1.25 -1.28 0.00 0.00 178.44 178.51 1sqj h LEU 370 N 0.00 0.00 0.00 0.11 5.85 -1.74 0.23 115.31 119.76 1sqj h LEU 370 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1sqj h LEU 370 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1sqj h LEU 370 CO -0.00 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.20 1sqj n ASP 371 N -3.46 0.00 -3.02 1.25 5.68 -1.16 -4.81 116.55 111.02 1sqj n ASP 371 Ca -0.02 0.03 -0.18 0.00 -0.50 0.00 0.00 54.79 54.12 1sqj n ASP 371 Cb 0.17 -0.33 -0.01 0.00 -1.14 0.00 0.00 41.12 39.81 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 -1.33 -1.68 -0.79 2.11 3.72 0.79 -1.47 117.46 118.81 1sqj n PHE 372 Ca 0.11 0.28 -0.04 0.00 -0.05 0.00 0.00 57.45 57.76 1sqj n PHE 372 Cb 0.23 -2.63 -0.02 0.00 -0.94 0.00 0.00 39.48 36.12 1sqj n PHE 372 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1sqj n ASN 373 N -2.06 -3.18 -3.27 4.37 5.03 -1.26 -1.88 115.26 113.00 1sqj n ASN 373 Ca -0.05 0.09 -0.23 0.00 0.87 0.00 0.00 54.58 55.26 1sqj n ASN 373 Cb 0.55 -2.36 0.01 0.00 -1.02 0.00 0.00 39.78 36.96 1sqj n ASN 373 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1sqj n ASN 374 N 0.48 -4.62 -3.57 6.41 5.03 -0.54 -4.96 115.26 113.48 1sqj n ASN 374 Ca -0.04 -0.37 -0.30 0.00 0.87 0.00 0.00 54.58 54.74 1sqj n ASN 374 Cb 0.30 -3.78 0.26 0.00 -1.02 0.00 0.00 39.78 35.55 1sqj n ASN 374 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1sqj s GLY 375 N -2.75 1.56 0.46 7.41 0.00 -0.79 -4.81 107.32 108.40 1sqj s GLY 375 Ca 0.38 -1.05 -0.24 0.00 0.00 0.00 0.00 44.72 43.82 1sqj s GLY 375 CO 0.47 -0.09 1.22 2.56 0.00 0.00 0.00 173.10 177.26 1sqj s PRO 376 N -5.45 3.73 0.57 2.90 0.04 -1.26 -4.74 135.00 130.78 1sqj s PRO 376 Ca 0.72 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 63.60 1sqj s PRO 376 Cb -0.08 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 1sqj s PRO 376 CO 0.56 -0.61 0.90 -0.65 0.04 0.00 0.00 177.00 177.24 1sqj s GLN 377 N -2.60 3.25 0.34 4.56 -0.21 -1.26 -4.87 119.66 118.87 1sqj s GLN 377 Ca 0.63 0.23 -0.12 0.00 0.02 0.00 0.00 55.36 56.12 1sqj s GLN 377 Cb -0.32 -2.26 0.03 0.00 1.00 0.00 0.00 33.01 31.46 1sqj s GLN 377 CO 0.39 -0.53 0.65 1.67 -2.12 0.00 0.00 175.29 175.35 1sqj s TRP 378 N -2.96 0.39 -0.43 0.91 -2.14 -0.44 -4.89 118.94 109.38 1sqj s TRP 378 Ca 0.52 -0.87 -0.40 0.00 2.66 0.00 0.00 56.10 58.02 1sqj s TRP 378 Cb -0.11 0.47 -0.15 0.00 -3.10 0.00 0.00 33.47 30.58 1sqj s TRP 378 CO 0.47 -1.33 2.17 0.41 -2.66 0.00 0.00 176.95 176.01 1sqj n GLY 379 N -0.51 0.16 1.95 3.67 0.00 -1.26 -0.10 105.19 109.10 1sqj n GLY 379 Ca -0.04 1.03 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 7.03 0.45 2.62 -0.02 0.00 -1.26 -5.02 105.19 108.99 1sqj n GLY 380 Ca 0.48 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 0.09 -0.75 1.61 5.04 0.86 -5.00 117.35 117.19 1sqj s TYR 381 Ca 0.00 -0.84 0.07 0.00 -2.44 0.00 0.00 57.07 53.86 1sqj s TYR 381 Cb 0.00 -0.70 0.02 0.00 0.35 0.00 0.00 41.96 41.63 1sqj s TYR 381 CO 0.00 -0.88 0.60 0.41 -1.34 0.00 0.00 175.55 174.34 1sqj n GLY 382 N 4.82 -0.40 0.42 8.97 0.00 -1.26 -1.33 105.19 116.42 1sqj n GLY 382 Ca 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 1.31 -0.55 -2.52 4.61 0.00 -1.94 -3.42 119.26 116.75 1sqj h ALA 383 Ca 0.00 0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.44 1sqj h ALA 383 Cb 0.27 1.05 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1sqj h ALA 383 CO 0.00 -0.94 0.59 -1.25 0.00 0.00 0.00 179.25 177.65 1sqj s PRO 384 N -5.74 4.42 0.33 0.00 0.04 -1.26 -4.59 135.00 128.20 1sqj s PRO 384 Ca -0.14 1.84 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 1sqj s PRO 384 Cb 0.11 -3.31 -0.10 0.00 0.04 0.00 0.00 34.50 31.24 1sqj s PRO 384 CO 0.64 -0.26 1.25 -1.58 0.04 0.00 0.00 177.00 177.09 1sqj s HIS 385 N 0.89 3.15 0.13 0.56 2.46 -1.26 -4.77 115.29 116.45 1sqj s HIS 385 Ca 0.59 1.49 0.20 0.00 0.47 0.00 0.00 55.06 57.81 1sqj s HIS 385 Cb -0.31 -3.57 0.72 0.00 -0.13 0.00 0.00 32.58 29.28 1sqj s HIS 385 CO 0.30 -1.54 1.74 0.78 -2.47 0.00 0.00 174.74 173.56 1sqj h GLY 386 N 3.38 0.00 -7.00 1.59 0.00 -1.87 -3.39 103.07 95.79 1sqj h GLY 386 Ca -0.48 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.21 1sqj h GLY 386 CO 0.65 0.00 0.20 -1.59 0.00 0.00 0.00 176.54 175.80 1sqj s THR 387 N -3.58 4.81 0.30 4.70 2.01 -1.26 -5.01 115.64 117.61 1sqj s THR 387 Ca 0.01 0.43 -0.26 0.00 0.31 0.00 0.00 61.69 62.17 1sqj s THR 387 Cb 0.10 -4.18 -0.15 0.00 0.01 0.00 0.00 72.50 68.29 1sqj s THR 387 CO 0.67 -0.50 0.63 -2.65 -0.69 0.00 0.00 174.62 172.08 1sqj n PRO 388 N 6.29 0.53 -0.69 4.92 -0.02 -1.26 -1.69 135.00 143.08 1sqj n PRO 388 Ca -0.00 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1sqj n PRO 388 Cb 0.48 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 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 1.75 0.81 3.29 -1.23 0.00 -1.26 -5.02 105.19 103.52 1sqj n GLY 389 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 2.14 0.01 0.99 1.43 -0.68 -0.73 118.68 121.84 1sqj s LEU 390 Ca 0.00 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1sqj s LEU 390 Cb 0.00 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 1sqj s LEU 390 CO 0.00 0.23 -0.06 -0.89 0.23 0.00 0.00 176.35 175.85 1sqj s THR 391 N -0.73 3.68 0.39 5.49 2.01 0.44 -4.43 115.64 122.48 1sqj s THR 391 Ca 0.09 -0.80 -0.27 0.00 0.31 0.00 0.00 61.69 61.02 1sqj s THR 391 Cb -0.09 -2.61 -0.10 0.00 0.01 0.00 0.00 72.50 69.70 1sqj s THR 391 CO 0.01 0.37 1.46 -0.54 -0.69 0.00 0.00 174.62 175.23 1sqj s LYS 392 N -1.50 4.03 0.14 4.92 1.02 -1.26 -0.96 119.74 126.13 1sqj s LYS 392 Ca 0.18 2.50 -0.21 0.00 0.02 0.00 0.00 55.97 58.46 1sqj s LYS 392 Cb -0.11 -2.90 0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1sqj s LYS 392 CO 0.08 -0.57 1.65 0.35 -0.92 0.00 0.00 175.35 175.95 1sqj h PHE 393 N 2.87 -0.43 0.00 3.18 3.57 -1.86 -3.40 116.94 120.86 1sqj h PHE 393 Ca -0.51 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1sqj h PHE 393 Cb 1.24 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.21 1sqj h PHE 393 CO 0.53 -0.24 0.00 0.41 -2.23 0.00 0.00 178.31 176.77 1sqj n GLY 394 N -1.33 1.57 3.11 2.40 0.00 -1.26 -4.92 105.19 104.76 1sqj n GLY 394 Ca -0.01 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 0.74 -1.42 1.61 -2.14 -1.26 -4.53 118.94 109.94 1sqj s TRP 395 Ca 0.00 -0.78 -0.06 0.00 2.66 0.00 0.00 56.10 57.91 1sqj s TRP 395 Cb 0.00 -0.44 0.04 0.00 -3.10 0.00 0.00 33.47 29.97 1sqj s TRP 395 CO 0.00 -0.16 0.80 0.91 -2.66 0.00 0.00 176.95 175.84 1sqj n TRP 396 N 0.54 -2.05 -1.90 1.66 7.02 -1.26 -2.54 117.44 118.90 1sqj n TRP 396 Ca -0.16 0.86 -0.42 0.00 -1.02 0.00 0.00 57.50 56.76 1sqj n TRP 396 Cb 0.59 -4.13 0.00 0.00 -2.42 0.00 0.00 31.31 25.34 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 -4.47 3.14 0.00 -0.99 2.81 -1.26 -4.19 117.12 112.16 1sqj n MET 397 Ca -0.15 -2.88 -0.10 0.00 -1.81 0.00 0.00 57.70 52.76 1sqj n MET 397 Cb 0.61 -3.15 -0.14 0.00 -0.71 0.00 0.00 33.22 29.83 1sqj n MET 397 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1sqj h SER 398 N 5.87 0.06 -3.39 7.83 4.64 -1.86 -3.33 113.55 123.37 1sqj h SER 398 Ca 0.53 -0.11 -0.58 0.00 -0.47 0.00 0.00 61.79 61.15 1sqj h SER 398 Cb 0.62 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.61 1sqj h SER 398 CO 1.80 1.10 0.10 0.00 -0.87 0.00 0.00 176.83 178.97 1sqj s ALA 399 N -2.62 3.49 -0.14 5.18 0.00 -1.26 -3.79 121.76 122.62 1sqj s ALA 399 Ca -0.05 -0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.50 1sqj s ALA 399 Cb 0.08 -2.95 0.06 0.00 0.00 0.00 0.00 23.12 20.31 1sqj s ALA 399 CO 0.82 -0.41 0.62 0.54 0.00 0.00 0.00 175.76 177.34 1sqj s VAL 400 N 1.55 0.01 -0.15 0.00 0.11 -1.26 -0.87 120.40 119.79 1sqj s VAL 400 Ca 0.31 -0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.25 1sqj s VAL 400 Cb -0.16 -0.91 0.07 0.00 -1.53 0.00 0.00 36.38 33.85 1sqj s VAL 400 CO 0.12 -0.03 0.33 -0.22 -3.33 0.00 0.00 175.10 171.97 1sqj s LEU 401 N -0.42 -0.27 -0.23 2.54 1.98 -0.40 -4.68 118.68 117.20 1sqj s LEU 401 Ca -0.06 0.75 -0.22 0.00 -2.89 0.00 0.00 54.13 51.71 1sqj s LEU 401 Cb -0.03 1.00 -0.02 0.00 0.66 0.00 0.00 46.19 47.80 1sqj s LEU 401 CO 0.05 -0.22 0.69 -0.63 -1.89 0.00 0.00 176.35 174.35 1sqj s ILE 402 N 2.16 4.95 -0.04 6.68 1.01 -1.26 -1.50 121.20 133.19 1sqj s ILE 402 Ca -0.03 1.29 -0.31 0.00 0.00 0.00 0.00 60.65 61.61 1sqj s ILE 402 Cb -0.11 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 1sqj s ILE 402 CO -0.10 0.02 2.01 -0.67 0.00 0.00 0.00 174.94 176.19 1sqj n ASP 403 N 5.62 3.83 0.28 3.58 -0.08 0.14 -4.74 116.55 125.18 1sqj n ASP 403 Ca 0.01 0.78 0.17 0.00 -1.51 0.00 0.00 54.79 54.24 1sqj n ASP 403 Cb 0.49 -1.50 0.94 0.00 2.34 0.00 0.00 41.12 43.39 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 11.18 0.00 -0.34 -0.67 0.13 -1.93 -1.54 132.00 138.83 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1sqj h PRO 404 CO 0.95 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.91 1sqj n PHE 405 N -3.67 0.43 -3.21 1.56 3.72 -1.26 -4.72 117.46 110.31 1sqj n PHE 405 Ca -0.02 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1sqj n PHE 405 Cb 0.16 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 1sqj n PHE 405 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1sqj s ASN 406 N -1.34 -1.40 0.00 4.37 3.84 -0.59 -5.03 114.94 114.80 1sqj s ASN 406 Ca 0.33 -0.68 0.08 0.00 0.21 0.00 0.00 52.86 52.80 1sqj s ASN 406 Cb 0.19 1.90 0.35 0.00 -0.55 0.00 0.00 41.25 43.14 1sqj s ASN 406 CO 0.27 -0.19 1.26 -2.65 -2.79 0.00 0.00 177.10 173.00 1sqj n PRO 407 N 4.56 0.00 0.06 0.43 -0.02 -1.15 -0.72 135.00 138.16 1sqj n PRO 407 Ca 0.10 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1sqj n PRO 407 Cb 0.56 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.87 1sqj n PRO 407 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1sqj n GLU 408 N -1.51 0.20 -3.48 -0.52 -0.58 -1.26 -4.81 120.64 108.68 1sqj n GLU 408 Ca 0.02 0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 1sqj n GLU 408 Cb 0.09 -1.67 -0.10 0.00 -0.57 0.00 0.00 31.44 29.19 1sqj n GLU 408 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1sqj s HIS 409 N -3.10 3.24 -0.03 -0.32 2.46 0.11 -1.49 115.29 116.15 1sqj s HIS 409 Ca 0.10 -0.46 0.06 0.00 0.47 0.00 0.00 55.06 55.23 1sqj s HIS 409 Cb 0.14 -2.56 -0.01 0.00 -0.13 0.00 0.00 32.58 30.02 1sqj s HIS 409 CO 0.65 -0.52 -0.21 -1.17 -2.47 0.00 0.00 174.74 171.02 1sqj s LEU 410 N 1.70 2.01 0.03 8.88 0.20 -0.68 -0.68 118.68 130.15 1sqj s LEU 410 Ca 0.06 -0.41 0.06 0.00 0.69 0.00 0.00 54.13 54.53 1sqj s LEU 410 Cb -0.18 -1.13 -0.02 0.00 -0.43 0.00 0.00 46.19 44.42 1sqj s LEU 410 CO 0.10 0.23 -0.19 -0.04 -0.29 0.00 0.00 176.35 176.17 1sqj s MET 411 N -0.29 1.32 -0.00 1.98 -1.94 -0.56 -0.77 119.30 119.04 1sqj s MET 411 Ca 0.03 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.17 1sqj s MET 411 Cb -0.10 -1.38 0.00 0.00 2.01 0.00 0.00 34.83 35.36 1sqj s MET 411 CO 0.01 0.36 -0.02 1.52 -0.01 0.00 0.00 175.02 176.88 1sqj s TYR 412 N -0.72 0.19 0.77 -0.03 1.13 0.87 -1.27 117.35 118.28 1sqj s TYR 412 Ca 0.06 -0.03 -0.11 0.00 -1.41 0.00 0.00 57.07 55.58 1sqj s TYR 412 Cb -0.08 -0.15 0.05 0.00 -1.10 0.00 0.00 41.96 40.69 1sqj s TYR 412 CO 0.01 -0.02 1.09 0.20 -2.51 0.00 0.00 175.55 174.32 1sqj s GLY 413 N 0.07 1.64 0.00 5.49 0.00 -0.05 -0.71 107.32 113.76 1sqj s GLY 413 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1sqj s GLY 413 CO -0.00 0.28 0.00 -1.30 0.00 0.00 0.00 173.10 172.07 1sqj n THR 414 N -3.36 0.00 1.91 0.90 -2.24 -0.20 -4.21 114.28 107.08 1sqj n THR 414 Ca 0.07 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.01 1sqj n THR 414 Cb 0.55 0.00 0.91 0.00 -2.10 0.00 0.00 70.33 69.70 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 0.00 -1.00 0.00 3.38 0.00 -1.05 -2.35 105.19 104.17 1sqj n GLY 415 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.02 1.09 -3.68 4.61 0.00 -1.00 -2.94 120.51 117.57 1sqj n ALA 416 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.78 1sqj n ALA 416 Cb 0.12 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.76 0.00 -4.05 0.00 5.66 -1.18 -0.03 114.28 113.92 1sqj n THR 417 Ca 0.00 -0.13 -0.31 0.00 -3.05 0.00 0.00 64.05 60.56 1sqj n THR 417 Cb 0.00 0.41 -0.16 0.00 -1.55 0.00 0.00 70.33 69.02 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 -2.08 1.72 0.03 1.09 1.01 -1.26 -1.04 121.20 120.67 1sqj s ILE 418 Ca 0.20 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1sqj s ILE 418 Cb -0.01 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1sqj s ILE 418 CO -0.00 0.47 0.22 0.26 0.00 0.00 0.00 174.94 175.89 1sqj s TRP 419 N 1.43 3.54 0.04 3.97 0.52 0.11 -1.22 118.94 127.32 1sqj s TRP 419 Ca 0.05 0.37 -0.09 0.00 0.02 0.00 0.00 56.10 56.44 1sqj s TRP 419 Cb -0.13 -1.84 0.00 0.00 -1.15 0.00 0.00 33.47 30.35 1sqj s TRP 419 CO -0.11 0.60 0.18 0.00 0.02 0.00 0.00 176.95 177.64 1sqj s ALA 420 N -1.42 -0.32 0.03 0.98 0.00 -0.05 -0.09 121.76 120.89 1sqj s ALA 420 Ca 0.31 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1sqj s ALA 420 Cb -0.13 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 1sqj s ALA 420 CO 0.22 -0.35 -0.06 -0.08 0.00 0.00 0.00 175.76 175.49 1sqj s THR 421 N -2.54 0.41 -2.06 0.00 -1.32 0.05 -1.45 115.64 108.74 1sqj s THR 421 Ca -0.05 -0.97 0.19 0.00 -1.21 0.00 0.00 61.69 59.65 1sqj s THR 421 Cb -0.01 -0.49 0.36 0.00 -1.51 0.00 0.00 72.50 70.84 1sqj s THR 421 CO -0.04 -0.38 1.30 0.47 -2.21 0.00 0.00 174.62 173.76 1sqj n ASP 422 N 1.60 3.17 -2.60 8.08 8.00 -1.26 -1.68 116.55 131.87 1sqj n ASP 422 Ca -0.22 -1.92 -0.12 0.00 0.71 0.00 0.00 54.79 53.24 1sqj n ASP 422 Cb 0.55 -0.21 0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1sqj n ASP 422 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1sqj n THR 423 N 1.22 1.51 -0.28 -3.53 -2.24 -1.10 -4.48 114.28 105.38 1sqj n THR 423 Ca 0.16 -3.54 0.02 0.00 -2.27 0.00 0.00 64.05 58.42 1sqj n THR 423 Cb 0.53 0.22 0.23 0.00 -2.10 0.00 0.00 70.33 69.21 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 2.74 0.92 0.00 3.22 5.85 -1.53 -2.73 115.31 123.77 1sqj h LEU 424 Ca 0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1sqj h LEU 424 Cb 1.18 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1sqj h LEU 424 CO 0.53 0.62 0.00 -1.20 -0.34 0.00 0.00 178.44 178.05 1sqj n SER 425 N -4.45 0.00 -0.34 1.25 7.64 -1.26 -3.04 113.62 113.42 1sqj n SER 425 Ca 0.11 -1.32 0.20 0.00 1.01 0.00 0.00 58.87 58.88 1sqj n SER 425 Cb 0.12 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.47 0.00 1.43 2.47 -1.79 -1.92 114.38 115.04 1sqj h ARG 426 Ca 0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1sqj h ARG 426 Cb 0.00 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1sqj h ARG 426 CO 0.00 0.31 0.00 -0.39 0.56 0.00 0.00 179.97 180.45 1sqj h VAL 427 N 0.48 0.00 0.00 2.04 -1.51 -1.52 -1.21 116.25 114.54 1sqj h VAL 427 Ca 0.63 -0.09 -0.06 0.00 -1.23 0.00 0.00 66.70 65.95 1sqj h VAL 427 Cb 1.39 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1sqj h VAL 427 CO -0.39 0.00 -0.27 -0.33 -1.23 0.00 0.00 177.57 175.35 1sqj h GLU 428 N 0.00 0.00 -0.59 5.19 4.39 -1.62 -1.77 114.58 120.18 1sqj h GLU 428 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sqj h GLU 428 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1sqj h GLU 428 CO 0.00 0.27 0.00 1.63 -1.16 0.00 0.00 179.01 179.75 1sqj n LYS 429 N -4.13 4.16 -2.85 2.33 5.02 -0.59 -4.91 118.16 117.19 1sqj n LYS 429 Ca -0.02 -2.99 -0.21 0.00 -2.02 0.00 0.00 58.31 53.06 1sqj n LYS 429 Cb 0.33 -2.03 0.02 0.00 -0.02 0.00 0.00 35.03 33.32 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 0.82 -5.68 -4.93 4.39 8.00 -0.66 -5.00 116.55 113.48 1sqj n ASP 430 Ca 0.26 -0.19 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 1sqj n ASP 430 Cb 1.01 -4.65 -0.01 0.00 -0.02 0.00 0.00 41.12 37.45 1sqj n ASP 430 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1sqj s TRP 431 N -3.08 2.68 -0.20 1.24 0.51 -0.56 -4.96 118.94 114.57 1sqj s TRP 431 Ca 0.21 -0.47 -0.12 0.00 -2.12 0.00 0.00 56.10 53.60 1sqj s TRP 431 Cb -0.10 -2.25 -0.05 0.00 -0.81 0.00 0.00 33.47 30.27 1sqj s TRP 431 CO 0.26 -0.27 0.22 0.00 -0.51 0.00 0.00 176.95 176.64 1sqj s ALA 432 N -2.44 3.62 0.51 0.98 0.00 -1.25 -3.28 121.76 119.90 1sqj s ALA 432 Ca 0.51 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 1sqj s ALA 432 Cb -0.06 -2.34 -0.06 0.00 0.00 0.00 0.00 23.12 20.67 1sqj s ALA 432 CO 0.30 -0.03 1.32 -2.14 0.00 0.00 0.00 175.76 175.21 1sqj s PRO 433 N 0.74 3.39 0.18 0.00 0.02 -1.26 -4.91 135.00 133.16 1sqj s PRO 433 Ca 0.11 2.15 -0.28 0.00 0.02 0.00 0.00 61.00 63.01 1sqj s PRO 433 Cb -0.13 -2.37 -0.08 0.00 0.02 0.00 0.00 34.50 31.95 1sqj s PRO 433 CO 0.03 -0.97 0.86 -1.12 -0.33 0.00 0.00 177.00 175.47 1sqj s SER 434 N -0.97 7.50 0.24 2.53 0.01 -1.26 -4.92 113.70 116.82 1sqj s SER 434 Ca 0.68 1.77 0.12 0.00 1.31 0.00 0.00 55.95 59.82 1sqj s SER 434 Cb -0.38 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.25 1sqj s SER 434 CO 0.46 0.15 -0.21 0.26 0.41 0.00 0.00 173.24 174.31 1sqj s TRP 435 N -0.96 2.31 0.30 2.43 0.52 -1.26 -4.17 118.94 118.11 1sqj s TRP 435 Ca 0.39 -0.34 -0.13 0.00 0.02 0.00 0.00 56.10 56.04 1sqj s TRP 435 Cb -0.24 -1.07 0.01 0.00 -1.15 0.00 0.00 33.47 31.02 1sqj s TRP 435 CO 0.29 0.61 0.58 1.52 0.02 0.00 0.00 176.95 179.97 1sqj s TYR 436 N -2.09 0.34 -0.30 -1.98 1.13 -0.53 -4.85 117.35 109.08 1sqj s TYR 436 Ca 0.25 -0.76 -0.09 0.00 -1.41 0.00 0.00 57.07 55.07 1sqj s TYR 436 Cb -0.07 0.36 -0.01 0.00 -1.10 0.00 0.00 41.96 41.15 1sqj s TYR 436 CO 0.13 -1.17 0.12 -0.51 -2.51 0.00 0.00 175.55 171.61 1sqj s LEU 437 N -3.05 3.97 -1.07 -3.49 1.43 0.38 -0.87 118.68 115.97 1sqj s LEU 437 Ca 0.21 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1sqj s LEU 437 Cb -0.02 -1.96 0.30 0.00 0.03 0.00 0.00 46.19 44.53 1sqj s LEU 437 CO 0.11 -0.18 1.84 1.67 0.23 0.00 0.00 176.35 180.02 1sqj n GLN 438 N 4.94 5.23 0.00 1.70 7.27 -0.36 -4.07 117.38 132.10 1sqj n GLN 438 Ca -0.14 -4.53 0.00 0.00 0.07 0.00 0.00 57.00 52.40 1sqj n GLN 438 Cb 0.49 -2.50 0.00 0.00 2.41 0.00 0.00 30.24 30.64 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 0.33 0.00 -1.66 1.69 0.13 -1.26 -4.69 119.36 113.90 1sqj n ILE 439 Ca 0.46 -0.34 -0.49 0.00 -1.10 0.00 0.00 62.75 61.28 1sqj n ILE 439 Cb 0.27 1.19 -0.05 0.00 -0.84 0.00 0.00 39.64 40.21 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 -0.28 3.25 0.00 9.51 4.64 -1.26 -2.05 116.55 130.37 1sqj n ASP 440 Ca 0.00 0.91 0.00 0.00 -1.38 0.00 0.00 54.79 54.32 1sqj n ASP 440 Cb 0.05 -1.35 0.00 0.00 -1.04 0.00 0.00 41.12 38.78 1sqj n ASP 440 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1sqj n GLY 441 N 4.61 2.21 3.69 0.27 0.00 -1.26 -0.07 105.19 114.63 1sqj n GLY 441 Ca 0.25 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.35 3.77 -0.16 -0.61 1.01 -0.87 -4.74 121.20 119.24 1sqj s ILE 442 Ca 0.00 1.15 -0.02 0.00 0.00 0.00 0.00 60.65 61.78 1sqj s ILE 442 Cb 0.00 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.78 1sqj s ILE 442 CO 0.00 -0.00 -0.00 -1.61 0.00 0.00 0.00 174.94 173.33 1sqj s GLU 443 N 2.35 0.94 0.00 2.79 0.41 -1.26 0.02 118.70 123.94 1sqj s GLU 443 Ca 0.63 -0.38 0.01 0.00 -0.41 0.00 0.00 54.97 54.81 1sqj s GLU 443 Cb -0.31 -1.88 0.01 0.00 -1.78 0.00 0.00 34.13 30.17 1sqj s GLU 443 CO 0.26 -0.51 0.78 -1.91 -0.49 0.00 0.00 175.26 173.39 1sqj n GLU 444 N 4.99 1.19 -1.77 1.61 2.13 0.45 -3.78 120.64 125.46 1sqj n GLU 444 Ca -0.10 -1.07 -0.33 0.00 0.66 0.00 0.00 57.16 56.33 1sqj n GLU 444 Cb 0.48 -1.01 0.04 0.00 0.27 0.00 0.00 31.44 31.22 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 -0.56 5.24 -0.29 4.31 -0.87 -1.25 -4.19 114.94 117.34 1sqj s ASN 445 Ca 0.01 1.91 -0.07 0.00 -1.57 0.00 0.00 52.86 53.14 1sqj s ASN 445 Cb 0.01 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.70 1sqj s ASN 445 CO 0.01 -1.54 0.07 0.00 -2.57 0.00 0.00 177.10 173.08 1sqj s ALA 446 N -2.47 3.06 -0.20 0.60 0.00 -1.26 -1.25 121.76 120.25 1sqj s ALA 446 Ca 0.65 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 1sqj s ALA 446 Cb -0.19 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1sqj s ALA 446 CO 0.43 -0.88 0.37 0.42 0.00 0.00 0.00 175.76 176.10 1sqj s ILE 447 N 1.51 5.22 -0.18 0.00 -1.09 -0.12 -0.91 121.20 125.63 1sqj s ILE 447 Ca 0.03 0.66 0.16 0.00 -2.23 0.00 0.00 60.65 59.26 1sqj s ILE 447 Cb -0.17 -3.71 -0.22 0.00 -1.58 0.00 0.00 42.46 36.78 1sqj s ILE 447 CO 0.02 0.27 0.06 0.18 -1.23 0.00 0.00 174.94 174.24 1sqj n LEU 448 N 4.39 0.06 -3.68 2.97 4.77 0.16 -4.75 117.00 120.92 1sqj n LEU 448 Ca -0.09 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 1sqj n LEU 448 Cb 0.51 0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.95 1sqj n LEU 448 CO 0.40 0.46 0.15 -0.55 -1.33 0.00 0.00 177.39 176.51 1sqj s SER 449 N -5.25 -0.33 -0.05 -1.43 0.15 0.11 -4.78 113.70 102.13 1sqj s SER 449 Ca -0.09 0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.76 1sqj s SER 449 Cb 0.05 0.39 0.04 0.00 -1.71 0.00 0.00 66.02 64.79 1sqj s SER 449 CO 0.74 -0.53 0.10 -0.76 1.20 0.00 0.00 173.24 173.99 1sqj s LEU 450 N -1.44 0.81 -0.11 3.45 1.43 -1.26 0.88 118.68 122.44 1sqj s LEU 450 Ca -0.11 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1sqj s LEU 450 Cb -0.03 0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.42 1sqj s LEU 450 CO 0.04 -0.15 -0.06 -0.60 0.23 0.00 0.00 176.35 175.81 1sqj s ARG 451 N 1.19 1.40 -0.46 1.70 6.06 -0.34 -4.94 118.95 123.56 1sqj s ARG 451 Ca -0.09 -0.21 -0.18 0.00 -2.50 0.00 0.00 55.73 52.76 1sqj s ARG 451 Cb -0.12 -1.52 0.05 0.00 0.06 0.00 0.00 34.95 33.42 1sqj s ARG 451 CO -0.05 -0.28 0.50 0.45 -2.50 0.00 0.00 175.30 173.42 1sqj s SER 452 N 1.74 6.20 0.72 -2.12 0.15 -1.26 -0.47 113.70 118.66 1sqj s SER 452 Ca 0.05 -0.92 -0.14 0.00 0.70 0.00 0.00 55.95 55.64 1sqj s SER 452 Cb -0.13 -2.24 0.03 0.00 -1.71 0.00 0.00 66.02 61.98 1sqj s SER 452 CO -0.08 -0.71 1.14 -2.16 1.20 0.00 0.00 173.24 172.63 1sqj s PRO 453 N 2.20 2.35 0.46 5.44 0.04 -1.26 -4.38 135.00 139.85 1sqj s PRO 453 Ca 0.11 1.49 0.26 0.00 0.04 0.00 0.00 61.00 62.90 1sqj s PRO 453 Cb -0.20 -1.88 0.79 0.00 0.04 0.00 0.00 34.50 33.24 1sqj s PRO 453 CO 0.11 -1.62 1.77 0.87 0.04 0.00 0.00 177.00 178.17 1sqj h LYS 454 N -0.41 0.00 -3.72 4.56 1.57 -1.89 -3.41 116.57 113.27 1sqj h LYS 454 Ca -0.46 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 1sqj h LYS 454 Cb 1.26 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.42 1sqj h LYS 454 CO 0.51 0.10 -0.40 -1.54 -0.57 0.00 0.00 179.45 177.55 1sqj s SER 455 N -6.06 0.10 0.08 0.86 1.04 -1.26 -4.67 113.70 103.80 1sqj s SER 455 Ca 0.03 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1sqj s SER 455 Cb 0.08 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1sqj s SER 455 CO 0.63 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1sqj n GLY 456 N 0.32 0.95 3.77 7.32 0.00 -1.26 -4.75 105.19 111.55 1sqj n GLY 456 Ca -0.17 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 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 2.65 0.13 4.61 0.00 -1.26 -4.94 121.76 120.95 1sqj s ALA 457 Ca 0.00 0.82 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 1sqj s ALA 457 Cb 0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1sqj s ALA 457 CO 0.00 -0.86 1.74 0.00 0.00 0.00 0.00 175.76 176.63 1sqj h ALA 458 N 1.04 0.23 -2.77 0.00 0.00 -1.72 -3.38 119.26 112.65 1sqj h ALA 458 Ca -0.50 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 1sqj h ALA 458 Cb 1.26 0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.88 1sqj h ALA 458 CO 0.56 -0.38 -0.36 -1.17 0.00 0.00 0.00 179.25 177.90 1sqj s LEU 459 N -10.31 1.00 -0.10 0.00 2.96 -1.14 -4.11 118.68 106.97 1sqj s LEU 459 Ca -0.13 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1sqj s LEU 459 Cb 0.10 1.04 -0.01 0.00 0.50 0.00 0.00 46.19 47.82 1sqj s LEU 459 CO 0.69 -0.29 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.49 1sqj s LEU 460 N -0.73 2.46 0.12 -0.68 1.43 0.38 -0.93 118.68 120.73 1sqj s LEU 460 Ca -0.08 -0.40 0.10 0.00 -1.03 0.00 0.00 54.13 52.72 1sqj s LEU 460 Cb -0.04 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1sqj s LEU 460 CO 0.02 0.19 -0.24 -0.94 0.23 0.00 0.00 176.35 175.61 1sqj s SER 461 N 0.18 3.51 -0.15 2.29 1.04 -0.94 -1.19 113.70 118.44 1sqj s SER 461 Ca -0.10 -0.67 -0.00 0.00 0.48 0.00 0.00 55.95 55.65 1sqj s SER 461 Cb -0.16 -0.34 0.03 0.00 0.10 0.00 0.00 66.02 65.66 1sqj s SER 461 CO 0.06 0.19 -0.08 -0.83 0.98 0.00 0.00 173.24 173.55 1sqj s GLY 462 N -2.03 1.00 0.08 7.32 0.00 0.25 -3.55 107.32 110.39 1sqj s GLY 462 Ca 0.15 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.11 1sqj s GLY 462 CO 0.07 0.80 -0.17 -0.42 0.00 0.00 0.00 173.10 173.38 1sqj s ILE 463 N 1.59 1.34 0.25 0.90 1.01 0.24 0.38 121.20 126.91 1sqj s ILE 463 Ca 0.02 -1.36 -0.30 0.00 0.00 0.00 0.00 60.65 59.02 1sqj s ILE 463 Cb -0.14 -1.25 -0.09 0.00 0.01 0.00 0.00 42.46 40.99 1sqj s ILE 463 CO -0.08 -0.13 1.20 -0.83 0.00 0.00 0.00 174.94 175.10 1sqj s GLY 464 N -1.72 2.84 0.00 6.18 0.00 -0.09 -1.31 107.32 113.23 1sqj s GLY 464 Ca 0.02 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.75 1sqj s GLY 464 CO 0.03 1.78 0.00 1.22 0.00 0.00 0.00 173.10 176.12 1sqj n ASP 465 N 1.75 0.00 -0.58 1.64 8.00 -0.99 -4.52 116.55 121.87 1sqj n ASP 465 Ca 0.02 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.58 1sqj n ASP 465 Cb 0.44 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.73 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 2.17 0.00 0.53 -5.35 -1.07 -4.68 119.36 110.96 1sqj n ILE 466 Ca 0.00 -2.39 0.00 0.00 -0.27 0.00 0.00 62.75 60.09 1sqj n ILE 466 Cb 0.00 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 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 -1.07 0.00 -3.82 7.28 2.88 -0.28 -4.84 113.62 113.77 1sqj n SER 467 Ca 0.21 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.79 1sqj n SER 467 Cb 0.79 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.26 1sqj n SER 467 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1sqj s GLY 468 N 0.00 -0.32 0.09 0.46 0.00 -1.26 0.81 107.32 107.10 1sqj s GLY 468 Ca 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 44.72 45.13 1sqj s GLY 468 CO 0.00 4.17 0.08 1.06 0.00 0.00 0.00 173.10 178.40 1sqj s MET 469 N -2.03 0.80 -0.50 2.90 -1.94 -1.23 -0.59 119.30 116.70 1sqj s MET 469 Ca 0.25 -1.20 -0.15 0.00 -1.71 0.00 0.00 55.69 52.88 1sqj s MET 469 Cb 0.03 0.27 0.11 0.00 2.01 0.00 0.00 34.83 37.24 1sqj s MET 469 CO -0.04 -0.21 0.43 0.21 -0.01 0.00 0.00 175.02 175.40 1sqj s LYS 470 N -3.94 2.90 -0.89 2.03 2.20 -1.26 -2.20 119.74 118.57 1sqj s LYS 470 Ca 0.11 -1.58 -0.20 0.00 -0.36 0.00 0.00 55.97 53.95 1sqj s LYS 470 Cb 0.07 -4.16 0.11 0.00 -1.51 0.00 0.00 37.83 32.33 1sqj s LYS 470 CO -0.06 -1.19 1.15 -1.01 -0.36 0.00 0.00 175.35 173.88 1sqj s HIS 471 N 1.57 2.94 -0.27 4.03 3.76 -0.11 -4.77 115.29 122.45 1sqj s HIS 471 Ca 0.04 -1.14 0.22 0.00 -0.15 0.00 0.00 55.06 54.02 1sqj s HIS 471 Cb -0.27 -4.35 0.41 0.00 1.11 0.00 0.00 32.58 29.48 1sqj s HIS 471 CO 0.04 -1.59 1.62 -0.44 -0.85 0.00 0.00 174.74 173.51 1sqj h ASP 472 N 9.13 0.00 -3.25 1.40 3.45 -1.94 -2.55 116.42 122.66 1sqj h ASP 472 Ca 0.08 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 57.03 1sqj h ASP 472 Cb 1.03 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.40 1sqj h ASP 472 CO 1.17 0.15 -0.76 -0.62 -1.57 0.00 0.00 179.24 177.61 1sqj s ASP 473 N -6.22 2.87 0.26 6.45 -1.08 -1.26 -4.64 116.67 113.04 1sqj s ASP 473 Ca 0.05 -0.81 0.25 0.00 -0.52 0.00 0.00 52.55 51.52 1sqj s ASP 473 Cb 0.06 -0.57 0.94 0.00 -1.46 0.00 0.00 42.92 41.90 1sqj s ASP 473 CO 0.67 -0.31 1.74 0.18 0.52 0.00 0.00 175.17 177.97 1sqj n LEU 474 N 5.07 0.74 -0.07 -1.34 4.77 -1.26 -3.69 117.00 121.22 1sqj n LEU 474 Ca -0.09 0.65 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 1sqj n LEU 474 Cb 0.47 -0.50 0.17 0.00 -2.33 0.00 0.00 43.42 41.23 1sqj n LEU 474 CO 0.13 -0.46 0.36 0.35 -1.33 0.00 0.00 177.39 176.43 1sqj n THR 475 N -2.28 0.00 -4.31 -5.08 -2.24 -1.26 -0.78 114.28 98.32 1sqj n THR 475 Ca 0.03 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1sqj n THR 475 Cb 0.29 0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.89 0.87 0.27 -0.78 -0.14 -1.24 -4.71 119.74 111.11 1sqj s LYS 476 Ca 0.13 -0.74 -0.30 0.00 -1.36 0.00 0.00 55.97 53.69 1sqj s LYS 476 Cb 0.17 -0.86 -0.13 0.00 -1.68 0.00 0.00 37.83 35.33 1sqj s LYS 476 CO 0.70 0.21 1.37 -2.30 -0.76 0.00 0.00 175.35 174.57 1sqj n PRO 477 N 1.88 2.04 -3.37 -1.68 -0.02 -1.26 -4.62 135.00 127.98 1sqj n PRO 477 Ca -0.18 0.72 -0.21 0.00 -2.02 0.00 0.00 63.50 61.81 1sqj n PRO 477 Cb 0.55 -2.35 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.82 2.45 0.39 -0.52 -1.52 -1.26 -4.62 119.66 113.77 1sqj s GLN 478 Ca 0.65 -1.63 -0.20 0.00 -1.95 0.00 0.00 55.36 52.23 1sqj s GLN 478 Cb -0.63 -2.47 -0.10 0.00 -0.22 0.00 0.00 33.01 29.59 1sqj s GLN 478 CO 0.53 -0.52 0.90 0.15 -0.25 0.00 0.00 175.29 176.10 1sqj s LYS 479 N -4.38 4.22 0.46 2.91 1.02 -1.26 -2.41 119.74 120.31 1sqj s LYS 479 Ca 0.51 1.04 -0.22 0.00 0.02 0.00 0.00 55.97 57.32 1sqj s LYS 479 Cb -0.05 -2.31 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 1sqj s LYS 479 CO 0.31 0.05 1.08 1.41 -0.92 0.00 0.00 175.35 177.28 1sqj s MET 480 N -3.00 3.83 0.31 1.68 -2.45 -1.26 -4.24 119.30 114.17 1sqj s MET 480 Ca 0.59 1.52 -0.29 0.00 -1.25 0.00 0.00 55.69 56.26 1sqj s MET 480 Cb -0.10 -2.27 -0.12 0.00 1.25 0.00 0.00 34.83 33.58 1sqj s MET 480 CO 0.15 -0.43 1.38 1.19 1.05 0.00 0.00 175.02 178.36 1sqj n PHE 481 N -0.66 2.38 0.00 4.11 3.72 0.25 -4.96 117.46 122.29 1sqj n PHE 481 Ca 0.08 0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.95 1sqj n PHE 481 Cb 0.51 -2.46 0.00 0.00 -0.94 0.00 0.00 39.48 36.58 1sqj n PHE 481 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sqj n GLY 482 N 1.33 -1.95 3.77 1.37 0.00 -1.26 -4.89 105.19 103.56 1sqj n GLY 482 Ca 0.07 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 1sqj n GLY 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqj s ALA 483 N -2.87 3.21 0.39 4.61 0.00 -1.26 -4.18 121.76 121.65 1sqj s ALA 483 Ca 0.00 1.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.98 1sqj s ALA 483 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1sqj s ALA 483 CO 0.00 -0.92 1.11 -1.25 0.00 0.00 0.00 175.76 174.70 1sqj s PRO 484 N -2.35 4.15 -0.31 0.00 0.04 -1.26 -4.55 135.00 130.72 1sqj s PRO 484 Ca 0.59 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 1sqj s PRO 484 Cb -0.39 -2.66 -0.01 0.00 0.04 0.00 0.00 34.50 31.48 1sqj s PRO 484 CO 0.49 -0.20 1.56 -1.14 0.04 0.00 0.00 177.00 177.76 1sqj s GLN 485 N -2.31 3.64 -0.02 4.56 2.00 -1.26 -5.01 119.66 121.26 1sqj s GLN 485 Ca 0.56 1.35 -0.06 0.00 -2.00 0.00 0.00 55.36 55.21 1sqj s GLN 485 Cb -0.27 -4.05 -0.04 0.00 0.80 0.00 0.00 33.01 29.44 1sqj s GLN 485 CO 0.34 -1.49 0.23 -0.06 -0.50 0.00 0.00 175.29 173.82 1sqj s PHE 486 N 5.57 3.58 -0.03 1.67 2.99 -1.26 -4.62 117.98 125.88 1sqj s PHE 486 Ca 0.69 0.54 -0.01 0.00 0.00 0.00 0.00 56.93 58.14 1sqj s PHE 486 Cb -0.20 -1.96 -0.01 0.00 0.00 0.00 0.00 43.02 40.85 1sqj s PHE 486 CO 0.30 0.64 0.12 0.66 -0.00 0.00 0.00 175.22 176.95 1sqj h SER 487 N 4.16 -0.04 -3.07 1.36 4.64 -1.63 -3.35 113.55 115.61 1sqj h SER 487 Ca -0.51 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.14 1sqj h SER 487 Cb 1.20 0.01 -0.12 0.00 -0.31 0.00 0.00 62.40 63.19 1sqj h SER 487 CO 0.65 0.13 -0.57 0.20 -0.87 0.00 0.00 176.83 176.37 1sqj s ASN 488 N -3.78 5.67 -0.35 4.97 0.01 -1.26 -1.12 114.94 119.08 1sqj s ASN 488 Ca -0.01 0.25 -0.04 0.00 -0.71 0.00 0.00 52.86 52.35 1sqj s ASN 488 Cb 0.00 -1.69 0.06 0.00 0.41 0.00 0.00 41.25 40.04 1sqj s ASN 488 CO 0.02 0.38 0.10 -0.22 -1.51 0.00 0.00 177.10 175.87 1sqj s LEU 489 N -1.03 4.44 0.05 0.60 0.20 -0.42 -1.33 118.68 121.18 1sqj s LEU 489 Ca 0.15 -1.42 0.08 0.00 0.69 0.00 0.00 54.13 53.63 1sqj s LEU 489 Cb -0.12 -1.81 -0.22 0.00 -0.43 0.00 0.00 46.19 43.61 1sqj s LEU 489 CO 0.04 -0.37 1.03 0.44 -0.29 0.00 0.00 176.35 177.21 1sqj h ASP 490 N 8.11 0.04 -3.37 3.68 3.32 -0.68 -3.09 116.42 124.43 1sqj h ASP 490 Ca -0.20 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 1sqj h ASP 490 Cb 1.07 -0.01 -0.23 0.00 0.22 0.00 0.00 39.33 40.38 1sqj h ASP 490 CO 0.61 1.04 -0.05 -0.55 -1.72 0.00 0.00 179.24 178.57 1sqj s SER 491 N -6.52 -0.75 -0.00 6.45 0.15 -0.56 -4.35 113.70 108.11 1sqj s SER 491 Ca -0.02 1.29 0.01 0.00 0.70 0.00 0.00 55.95 57.93 1sqj s SER 491 Cb 0.09 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1sqj s SER 491 CO 0.83 -0.22 -0.02 -0.51 1.20 0.00 0.00 173.24 174.51 1sqj s ILE 492 N 1.16 0.18 0.10 6.45 2.07 -1.26 0.04 121.20 129.94 1sqj s ILE 492 Ca -0.07 -0.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.09 1sqj s ILE 492 Cb -0.06 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.33 1sqj s ILE 492 CO -0.12 0.06 0.01 -0.62 -1.91 0.00 0.00 174.94 172.37 1sqj s ASP 493 N 0.03 0.51 -0.02 4.50 2.15 -0.24 -4.50 116.67 119.10 1sqj s ASP 493 Ca 0.00 -1.12 0.01 0.00 0.43 0.00 0.00 52.55 51.88 1sqj s ASP 493 Cb -0.02 0.23 0.01 0.00 -0.30 0.00 0.00 42.92 42.84 1sqj s ASP 493 CO -0.00 -0.65 -0.05 0.00 -0.17 0.00 0.00 175.17 174.30 1sqj s ALA 494 N -3.94 0.54 0.37 3.66 0.00 -1.26 -1.27 121.76 119.85 1sqj s ALA 494 Ca 0.17 -0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.71 1sqj s ALA 494 Cb 0.07 -0.24 -0.11 0.00 0.00 0.00 0.00 23.12 22.84 1sqj s ALA 494 CO -0.03 0.06 1.51 0.00 0.00 0.00 0.00 175.76 177.31 1sqj s ALA 495 N 0.32 3.60 0.13 0.00 0.00 0.32 -4.88 121.76 121.26 1sqj s ALA 495 Ca -0.04 1.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.39 1sqj s ALA 495 Cb -0.08 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1sqj s ALA 495 CO -0.00 -1.07 1.50 0.78 0.00 0.00 0.00 175.76 176.97 1sqj h GLY 496 N 3.20 0.94 0.28 0.00 0.00 -1.67 -2.23 103.07 103.60 1sqj h GLY 496 Ca -0.50 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 45.96 1sqj h GLY 496 CO 0.66 0.79 -1.14 0.70 0.00 0.00 0.00 176.54 177.54 1sqj n ASN 497 N -4.20 0.66 -3.39 0.19 3.02 -0.28 -4.56 115.26 106.70 1sqj n ASN 497 Ca -0.01 -0.50 -0.26 0.00 -0.03 0.00 0.00 54.58 53.77 1sqj n ASN 497 Cb 0.45 1.04 -0.09 0.00 -0.61 0.00 0.00 39.78 40.57 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 -1.79 -0.17 0.29 3.10 3.01 -1.23 -5.01 117.46 115.66 1sqj n PHE 498 Ca 0.02 -3.51 0.04 0.00 1.01 0.00 0.00 57.45 55.01 1sqj n PHE 498 Cb 0.41 -0.02 0.17 0.00 -0.01 0.00 0.00 39.48 40.02 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 2.28 0.04 0.29 -1.08 -0.02 -0.84 -0.61 135.00 135.06 1sqj n PRO 499 Ca 0.27 0.31 0.16 0.00 -2.02 0.00 0.00 63.50 62.22 1sqj n PRO 499 Cb 0.48 -1.50 0.83 0.00 -0.02 0.00 0.00 33.50 33.29 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 -3.64 2.55 -1.07 -1.85 -3.42 115.58 108.15 1sqj h ASN 500 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.79 1sqj h ASN 500 Cb 0.10 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.27 1sqj h ASN 500 CO 0.00 0.06 0.74 -0.69 0.07 0.00 0.00 177.43 177.61 1sqj s VAL 501 N -4.02 4.38 -0.02 6.14 1.01 0.22 -0.79 120.40 127.32 1sqj s VAL 501 Ca -0.02 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.10 1sqj s VAL 501 Cb 0.12 -4.49 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1sqj s VAL 501 CO 0.53 -0.85 -0.25 -0.69 0.00 0.00 0.00 175.10 173.85 1sqj s VAL 502 N 4.00 1.95 0.01 2.92 1.01 0.77 -0.52 120.40 130.54 1sqj s VAL 502 Ca 0.42 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1sqj s VAL 502 Cb -0.09 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1sqj s VAL 502 CO 0.27 0.55 -0.23 0.68 0.00 0.00 0.00 175.10 176.37 1sqj s VAL 503 N -0.52 1.79 0.02 2.92 -7.23 -0.40 -0.48 120.40 116.51 1sqj s VAL 503 Ca 0.08 -1.07 -0.05 0.00 -1.81 0.00 0.00 61.98 59.13 1sqj s VAL 503 Cb -0.10 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 1sqj s VAL 503 CO -0.00 0.41 0.09 0.00 -0.31 0.00 0.00 175.10 175.29 1sqj s ARG 504 N -0.77 0.50 0.00 4.82 1.70 -0.71 -1.08 118.95 123.41 1sqj s ARG 504 Ca 0.09 -0.61 0.01 0.00 -0.47 0.00 0.00 55.73 54.74 1sqj s ARG 504 Cb -0.09 0.20 -0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1sqj s ARG 504 CO 0.00 -0.12 -0.02 0.00 -1.08 0.00 0.00 175.30 174.08 1sqj s ALA 505 N -1.99 0.17 0.00 7.88 0.00 0.11 -2.22 121.76 125.70 1sqj s ALA 505 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1sqj s ALA 505 Cb -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1sqj s ALA 505 CO -0.02 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1sqj n GLY 506 N 2.92 2.19 3.52 0.00 0.00 -0.91 0.07 105.19 112.98 1sqj n GLY 506 Ca -0.13 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 1sqj n GLY 506 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqj s SER 507 N 0.92 4.13 -0.27 1.61 0.01 -0.45 -4.76 113.70 114.90 1sqj s SER 507 Ca 0.00 -0.37 -0.17 0.00 1.31 0.00 0.00 55.95 56.72 1sqj s SER 507 Cb 0.00 -0.76 0.08 0.00 0.21 0.00 0.00 66.02 65.55 1sqj s SER 507 CO 0.00 0.23 0.68 -0.55 0.41 0.00 0.00 173.24 174.02 1sqj s SER 508 N -1.69 -0.89 -0.07 2.44 0.15 -1.26 -1.79 113.70 110.59 1sqj s SER 508 Ca 0.17 1.47 0.19 0.00 0.70 0.00 0.00 55.95 58.48 1sqj s SER 508 Cb -0.11 1.37 0.63 0.00 -1.71 0.00 0.00 66.02 66.21 1sqj s SER 508 CO 0.08 -0.24 1.54 0.61 1.20 0.00 0.00 173.24 176.44 1sqj n GLY 509 N 4.01 2.76 3.91 9.45 0.00 -1.26 -4.14 105.19 119.92 1sqj n GLY 509 Ca -0.19 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.53 3.49 0.01 1.61 5.04 -1.26 -4.89 115.29 117.76 1sqj s HIS 510 Ca 0.46 0.39 0.07 0.00 -1.54 0.00 0.00 55.06 54.43 1sqj s HIS 510 Cb 0.28 -1.87 -0.03 0.00 0.04 0.00 0.00 32.58 31.00 1sqj s HIS 510 CO 0.25 0.48 -0.19 -1.21 -2.34 0.00 0.00 174.74 171.73 1sqj s GLU 511 N -2.79 2.16 0.01 2.88 0.41 -1.26 -4.57 118.70 115.54 1sqj s GLU 511 Ca 0.38 -0.92 0.04 0.00 -0.41 0.00 0.00 54.97 54.06 1sqj s GLU 511 Cb -0.12 -2.20 -0.03 0.00 -1.78 0.00 0.00 34.13 30.00 1sqj s GLU 511 CO 0.27 0.56 -0.09 0.71 -0.49 0.00 0.00 175.26 176.22 1sqj s TYR 512 N -0.83 2.83 -0.07 1.61 1.51 -1.26 -5.05 117.35 116.09 1sqj s TYR 512 Ca 0.13 -0.08 -0.32 0.00 -1.01 0.00 0.00 57.07 55.79 1sqj s TYR 512 Cb -0.10 -1.58 -0.10 0.00 -0.11 0.00 0.00 41.96 40.06 1sqj s TYR 512 CO 0.03 0.35 1.96 -0.25 -1.11 0.00 0.00 175.55 176.53 1sqj n ASP 513 N 1.57 3.64 -2.40 2.29 8.00 -1.26 -2.80 116.55 125.59 1sqj n ASP 513 Ca -0.16 0.87 -0.18 0.00 0.71 0.00 0.00 54.79 56.03 1sqj n ASP 513 Cb 0.52 -1.44 0.03 0.00 -0.02 0.00 0.00 41.12 40.22 1sqj n ASP 513 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sqj n SER 514 N 7.49 -5.19 -3.60 -2.24 7.64 -1.26 -4.97 113.62 111.49 1sqj n SER 514 Ca 0.23 -0.21 -0.09 0.00 1.01 0.00 0.00 58.87 59.81 1sqj n SER 514 Cb 0.34 -4.05 -0.02 0.00 -1.01 0.00 0.00 64.21 59.48 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 -3.03 -1.52 -0.20 -0.43 0.00 -1.12 -4.61 121.76 110.84 1sqj s ALA 515 Ca 0.22 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 1sqj s ALA 515 Cb -0.10 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1sqj s ALA 515 CO 0.28 -0.87 -0.11 0.00 0.00 0.00 0.00 175.76 175.05 1sqj n ALA 517 N 4.71 1.60 1.73 0.00 0.00 -1.26 -3.33 120.51 123.96 1sqj n ALA 517 Ca -0.19 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.37 1sqj n ALA 517 Cb 0.50 -1.23 0.78 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.58 1.05 -3.45 0.00 3.00 -1.26 -4.72 116.66 109.69 1sqj n ARG 518 Ca 0.03 -0.26 -0.13 0.00 -0.01 0.00 0.00 57.85 57.48 1sqj n ARG 518 Cb 0.16 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.10 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 -2.13 -0.59 0.26 -0.13 0.00 -1.21 -2.15 107.32 101.37 1sqj s GLY 519 Ca 0.41 0.62 -0.19 0.00 0.00 0.00 0.00 44.72 45.56 1sqj s GLY 519 CO 0.39 0.28 0.64 0.00 0.00 0.00 0.00 173.10 174.41 1sqj s ALA 520 N -3.27 -0.94 0.02 3.20 0.00 -0.94 -2.23 121.76 117.60 1sqj s ALA 520 Ca -0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1sqj s ALA 520 Cb -0.01 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 1sqj s ALA 520 CO -0.09 -0.97 -0.03 1.52 0.00 0.00 0.00 175.76 176.20 1sqj s TYR 521 N -3.94 0.30 0.04 0.00 1.13 0.85 -1.74 117.35 113.99 1sqj s TYR 521 Ca 0.14 -0.61 0.05 0.00 -1.41 0.00 0.00 57.07 55.24 1sqj s TYR 521 Cb -0.04 -0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 40.58 1sqj s TYR 521 CO 0.06 -0.22 -0.16 0.00 -2.51 0.00 0.00 175.55 172.73 1sqj s ALA 522 N -1.82 1.33 -0.23 9.51 0.00 0.37 0.68 121.76 131.60 1sqj s ALA 522 Ca -0.13 -0.89 0.11 0.00 0.00 0.00 0.00 51.96 51.05 1sqj s ALA 522 Cb -0.07 -0.22 0.24 0.00 0.00 0.00 0.00 23.12 23.06 1sqj s ALA 522 CO -0.02 0.27 1.16 0.25 0.00 0.00 0.00 175.76 177.42 1sqj n THR 523 N 1.88 1.50 -0.67 0.00 -2.24 -1.23 -0.16 114.28 113.36 1sqj n THR 523 Ca -0.18 -1.56 0.07 0.00 -2.27 0.00 0.00 64.05 60.12 1sqj n THR 523 Cb 0.54 0.14 0.20 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.63 3.35 0.00 3.42 3.85 -1.12 -4.50 116.55 120.91 1sqj n ASP 524 Ca 0.11 -2.62 0.00 0.00 -0.71 0.00 0.00 54.79 51.57 1sqj n ASP 524 Cb 0.51 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 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 -0.23 1.45 0.00 6.12 0.00 0.03 -4.59 105.19 107.97 1sqj n GLY 525 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 1.50 0.08 -0.02 0.00 -1.26 -4.88 105.19 98.60 1sqj n GLY 526 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 1.66 -4.61 1.61 8.00 -1.26 -4.85 116.55 117.09 1sqj n ASP 527 Ca 0.00 0.29 -0.41 0.00 0.71 0.00 0.00 54.79 55.38 1sqj n ASP 527 Cb 0.00 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 40.33 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 -2.92 3.54 -0.11 2.24 0.00 -1.26 -4.64 121.76 118.60 1sqj s ALA 528 Ca -0.25 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1sqj s ALA 528 Cb 0.03 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1sqj s ALA 528 CO 0.36 -1.06 0.08 -1.58 0.00 0.00 0.00 175.76 173.56 1sqj s TRP 529 N 2.67 3.38 -0.24 0.00 0.52 -1.26 -4.42 118.94 119.60 1sqj s TRP 529 Ca 0.27 0.34 -0.13 0.00 0.02 0.00 0.00 56.10 56.61 1sqj s TRP 529 Cb -0.15 -1.90 -0.05 0.00 -1.15 0.00 0.00 33.47 30.23 1sqj s TRP 529 CO 0.11 0.56 0.26 0.99 0.02 0.00 0.00 176.95 178.90 1sqj s THR 530 N -0.80 5.28 0.12 2.01 2.01 0.21 -4.94 115.64 119.54 1sqj s THR 530 Ca 0.13 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 1sqj s THR 530 Cb -0.12 -3.59 -0.07 0.00 0.01 0.00 0.00 72.50 68.73 1sqj s THR 530 CO 0.03 0.28 1.19 -0.63 -0.69 0.00 0.00 174.62 174.80 1sqj s ILE 531 N 1.40 3.82 0.19 1.82 1.01 -1.26 -0.10 121.20 128.08 1sqj s ILE 531 Ca 0.11 1.41 -0.33 0.00 0.00 0.00 0.00 60.65 61.85 1sqj s ILE 531 Cb -0.15 -3.90 -0.14 0.00 0.01 0.00 0.00 42.46 38.28 1sqj s ILE 531 CO 0.07 0.17 1.50 0.49 0.00 0.00 0.00 174.94 177.17 1sqj n PHE 532 N 3.23 2.20 -0.31 3.97 0.99 -0.95 -4.80 117.46 121.79 1sqj n PHE 532 Ca 0.07 0.35 0.14 0.00 -0.00 0.00 0.00 57.45 58.01 1sqj n PHE 532 Cb 0.46 -2.50 0.38 0.00 -1.00 0.00 0.00 39.48 36.81 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 5.19 0.65 -4.18 -1.08 0.11 -1.81 0.13 132.00 131.01 1sqj h PRO 533 Ca -0.45 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1sqj h PRO 533 Cb 1.27 -0.15 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 1sqj h PRO 533 CO 0.83 0.43 -0.61 0.95 -0.21 0.00 0.00 178.00 179.39 1sqj s THR 534 N -5.71 0.19 0.35 -1.15 -4.23 -0.72 -3.51 115.64 100.86 1sqj s THR 534 Ca -0.10 -1.70 0.09 0.00 -1.18 0.00 0.00 61.69 58.79 1sqj s THR 534 Cb 0.24 -1.56 -0.06 0.00 1.34 0.00 0.00 72.50 72.46 1sqj s THR 534 CO 0.80 -0.85 0.01 0.00 -0.54 0.00 0.00 174.62 174.04 1sqj n PRO 536 N -0.96 0.78 -1.61 0.00 -0.02 -1.26 -4.87 135.00 127.07 1sqj n PRO 536 Ca -0.04 0.31 -0.47 0.00 -2.02 0.00 0.00 63.50 61.28 1sqj n PRO 536 Cb 0.63 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 1sqj n PRO 536 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sqj n PRO 537 N -0.82 1.47 0.00 0.52 -0.02 -1.26 -2.13 135.00 132.77 1sqj n PRO 537 Ca 0.13 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1sqj n PRO 537 Cb 0.47 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1sqj n PRO 537 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqj n GLY 538 N 1.89 0.93 2.52 -1.23 0.00 -1.26 -4.97 105.19 103.06 1sqj n GLY 538 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.91 -1.35 1.61 2.81 -0.90 -4.62 117.12 116.58 1sqj n MET 539 Ca 0.00 -3.23 -0.03 0.00 -1.81 0.00 0.00 57.70 52.63 1sqj n MET 539 Cb 0.00 -2.45 0.01 0.00 -0.71 0.00 0.00 33.22 30.07 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 1.19 0.38 0.26 7.83 2.04 -1.26 -4.58 115.26 121.13 1sqj n ASN 540 Ca 0.56 -1.26 0.11 0.00 -0.44 0.00 0.00 54.58 53.55 1sqj n ASN 540 Cb 0.34 -0.07 0.71 0.00 -2.53 0.00 0.00 39.78 38.24 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 0.44 1.62 -0.34 -2.53 0.00 -1.93 -2.36 119.26 114.16 1sqj h ALA 541 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sqj h ALA 541 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sqj h ALA 541 CO 0.07 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 1sqj n SER 542 N -4.07 2.91 -4.65 0.00 3.41 -1.26 -4.52 113.62 105.44 1sqj n SER 542 Ca -0.03 -1.92 -0.43 0.00 -0.26 0.00 0.00 58.87 56.24 1sqj n SER 542 Cb 0.16 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 1sqj n SER 542 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1sqj s HIS 543 N -1.56 2.54 -0.34 7.33 2.46 -0.89 -4.89 115.29 119.93 1sqj s HIS 543 Ca 0.37 0.76 0.04 0.00 0.47 0.00 0.00 55.06 56.70 1sqj s HIS 543 Cb 0.21 -3.74 -0.01 0.00 -0.13 0.00 0.00 32.58 28.90 1sqj s HIS 543 CO 0.30 -2.28 0.35 2.48 -2.47 0.00 0.00 174.74 173.12 1sqj n TYR 544 N 7.24 0.00 0.82 3.88 0.18 -1.26 -4.73 117.16 123.29 1sqj n TYR 544 Ca 0.15 0.00 0.13 0.00 1.88 0.00 0.00 57.90 60.07 1sqj n TYR 544 Cb 0.45 0.00 0.52 0.00 -0.38 0.00 0.00 39.34 39.93 1sqj n TYR 544 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 1sqj n GLN 545 N -0.59 0.09 0.00 -3.48 3.00 -1.26 -5.03 117.38 110.11 1sqj n GLN 545 Ca 0.02 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1sqj n GLN 545 Cb 0.08 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 28.71 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 1.26 -1.77 0.00 1.08 0.00 -1.26 -4.93 105.19 99.56 1sqj n GLY 546 Ca 0.06 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1sqj n GLY 546 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sqj n SER 547 N 0.31 0.00 -4.03 1.61 3.41 -1.26 -4.42 113.62 109.24 1sqj n SER 547 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1sqj n SER 547 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 1sqj n SER 547 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sqj s THR 548 N -2.00 1.18 0.05 6.66 2.01 -0.80 -4.34 115.64 118.40 1sqj s THR 548 Ca 0.00 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.57 1sqj s THR 548 Cb 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1sqj s THR 548 CO 0.00 0.37 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.60 1sqj s ILE 549 N 0.70 1.48 -0.07 1.82 2.07 -1.26 -0.79 121.20 125.15 1sqj s ILE 549 Ca -0.14 -1.17 -0.09 0.00 -1.41 0.00 0.00 60.65 57.84 1sqj s ILE 549 Cb -0.16 -1.31 0.02 0.00 0.13 0.00 0.00 42.46 41.14 1sqj s ILE 549 CO 0.03 0.11 0.24 0.00 -1.91 0.00 0.00 174.94 173.41 1sqj s ALA 550 N -0.86 -0.58 -0.07 1.50 0.00 0.91 -4.48 121.76 118.19 1sqj s ALA 550 Ca 0.05 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.60 1sqj s ALA 550 Cb -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1sqj s ALA 550 CO 0.02 -0.14 -0.20 0.54 0.00 0.00 0.00 175.76 175.97 1sqj s VAL 551 N -0.22 2.48 1.33 0.00 0.11 -1.26 -0.72 120.40 122.12 1sqj s VAL 551 Ca -0.03 -0.91 -0.20 0.00 -2.93 0.00 0.00 61.98 57.90 1sqj s VAL 551 Cb -0.03 -1.94 0.33 0.00 -1.53 0.00 0.00 36.38 33.21 1sqj s VAL 551 CO 0.01 0.57 0.98 1.51 -3.33 0.00 0.00 175.10 174.84 1sqj s ASP 552 N -0.24 -0.28 0.43 3.54 1.47 -0.14 -4.55 116.67 116.88 1sqj s ASP 552 Ca -0.00 0.94 0.21 0.00 1.18 0.00 0.00 52.55 54.87 1sqj s ASP 552 Cb -0.13 -1.36 0.93 0.00 -0.34 0.00 0.00 42.92 42.01 1sqj s ASP 552 CO 0.03 -4.90 1.85 0.00 0.68 0.00 0.00 175.17 172.83 1sqj h ALA 553 N -3.10 1.12 0.00 2.11 0.00 -1.74 -2.59 119.26 115.05 1sqj h ALA 553 Ca -0.48 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1sqj h ALA 553 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1sqj h ALA 553 CO 0.34 0.35 0.00 0.66 0.00 0.00 0.00 179.25 180.60 1sqj h SER 554 N 0.00 0.00 -0.27 0.00 4.64 -1.91 -0.74 113.55 115.28 1sqj h SER 554 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1sqj h SER 554 Cb 0.69 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 1sqj h SER 554 CO 0.04 0.00 -0.08 0.61 -0.87 0.00 0.00 176.83 176.53 1sqj n GLY 555 N 1.07 0.57 0.00 -0.77 0.00 -0.98 -4.81 105.19 100.28 1sqj n GLY 555 Ca 0.04 -0.86 0.03 0.00 0.00 0.00 0.00 46.02 45.23 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 1.35 2.39 -3.99 1.61 3.41 -1.26 -5.00 113.62 112.13 1sqj n SER 556 Ca -0.04 -0.24 -0.26 0.00 -0.26 0.00 0.00 58.87 58.06 1sqj n SER 556 Cb 0.22 1.15 -0.17 0.00 -0.26 0.00 0.00 64.21 65.16 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 -2.04 1.78 -0.13 4.33 -0.21 -1.26 -4.62 119.66 117.51 1sqj s GLN 557 Ca -0.00 -0.40 -0.00 0.00 0.02 0.00 0.00 55.36 54.97 1sqj s GLN 557 Cb 0.04 -1.59 -0.01 0.00 1.00 0.00 0.00 33.01 32.45 1sqj s GLN 557 CO 0.23 -0.09 -0.13 0.42 -2.12 0.00 0.00 175.29 173.60 1sqj s ILE 558 N 1.08 3.08 -0.09 1.08 1.01 0.10 -0.97 121.20 126.48 1sqj s ILE 558 Ca -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1sqj s ILE 558 Cb -0.15 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1sqj s ILE 558 CO -0.02 0.52 -0.10 -0.69 0.00 0.00 0.00 174.94 174.66 1sqj s VAL 559 N 0.37 3.38 -0.16 2.92 1.01 0.10 -0.47 120.40 127.55 1sqj s VAL 559 Ca -0.10 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1sqj s VAL 559 Cb -0.16 -2.39 0.08 0.00 0.00 0.00 0.00 36.38 33.91 1sqj s VAL 559 CO 0.05 0.56 0.24 0.86 0.00 0.00 0.00 175.10 176.81 1sqj s TRP 560 N -0.28 -0.35 -0.15 5.22 -0.11 0.65 -0.06 118.94 123.86 1sqj s TRP 560 Ca 0.03 0.60 -0.06 0.00 1.22 0.00 0.00 56.10 57.89 1sqj s TRP 560 Cb -0.13 -0.20 -0.04 0.00 -1.50 0.00 0.00 33.47 31.60 1sqj s TRP 560 CO 0.03 -0.46 0.07 0.45 -4.62 0.00 0.00 176.95 172.41 1sqj s SER 561 N 2.37 5.73 0.00 5.86 0.15 0.03 -1.69 113.70 126.15 1sqj s SER 561 Ca 0.04 0.18 0.28 0.00 0.70 0.00 0.00 55.95 57.15 1sqj s SER 561 Cb -0.14 -1.90 1.03 0.00 -1.71 0.00 0.00 66.02 63.30 1sqj s SER 561 CO -0.10 0.26 1.75 0.35 1.20 0.00 0.00 173.24 176.70 1sqj n THR 562 N 2.97 0.00 -1.50 6.45 -2.24 -1.26 -1.90 114.28 116.80 1sqj n THR 562 Ca -0.18 -0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 1sqj n THR 562 Cb 0.53 -0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.10 -1.30 -3.20 -0.78 5.02 -1.24 -4.57 118.16 110.98 1sqj n LYS 563 Ca 0.11 1.11 -0.43 0.00 -2.02 0.00 0.00 58.31 57.08 1sqj n LYS 563 Cb 0.31 -5.39 -0.07 0.00 -0.02 0.00 0.00 35.03 29.86 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 -3.95 4.84 0.00 -0.35 1.43 -1.26 -4.91 118.68 114.48 1sqj s LEU 564 Ca 0.00 -0.71 0.14 0.00 -1.03 0.00 0.00 54.13 52.53 1sqj s LEU 564 Cb 0.00 -2.49 0.68 0.00 0.03 0.00 0.00 46.19 44.41 1sqj s LEU 564 CO 0.00 -0.76 1.42 -0.90 0.23 0.00 0.00 176.35 176.33 1sqj n ASP 565 N 5.99 0.00 0.02 2.29 5.75 -1.26 -1.76 116.55 127.58 1sqj n ASP 565 Ca -0.06 0.25 0.13 0.00 -0.01 0.00 0.00 54.79 55.11 1sqj n ASP 565 Cb 0.47 -0.37 0.57 0.00 -1.03 0.00 0.00 41.12 40.76 1sqj n ASP 565 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1sqj n GLU 566 N -1.37 0.04 -3.21 0.11 4.71 -1.26 -4.66 120.64 114.99 1sqj n GLU 566 Ca 0.05 0.05 -0.41 0.00 -0.01 0.00 0.00 57.16 56.84 1sqj n GLU 566 Cb 0.13 -1.55 -0.07 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 -3.02 3.73 -0.90 3.49 -0.21 -0.72 -4.98 119.66 117.05 1sqj s GLN 567 Ca 0.13 -0.01 -0.04 0.00 0.02 0.00 0.00 55.36 55.46 1sqj s GLN 567 Cb 0.17 -3.78 0.14 0.00 1.00 0.00 0.00 33.01 30.55 1sqj s GLN 567 CO 0.52 -0.60 2.44 0.00 -2.12 0.00 0.00 175.29 175.53 1sqj n ALA 568 N 5.77 6.56 -3.00 6.09 0.00 -1.26 -4.10 120.51 130.57 1sqj n ALA 568 Ca -0.04 -3.74 -0.10 0.00 0.00 0.00 0.00 53.44 49.56 1sqj n ALA 568 Cb 0.49 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.51 1sqj n ALA 568 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sqj s SER 569 N 0.02 -0.20 0.75 0.00 1.04 -0.43 -4.82 113.70 110.06 1sqj s SER 569 Ca 0.54 -0.40 -0.08 0.00 0.48 0.00 0.00 55.95 56.49 1sqj s SER 569 Cb 0.29 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.97 1sqj s SER 569 CO -0.18 -0.88 1.08 -0.83 0.98 0.00 0.00 173.24 173.41 1sqj s GLY 570 N -2.83 1.67 -0.04 7.32 0.00 -1.11 -2.50 107.32 109.83 1sqj s GLY 570 Ca 0.05 -0.91 -0.38 0.00 0.00 0.00 0.00 44.72 43.48 1sqj s GLY 570 CO -0.10 -0.45 1.05 -1.05 0.00 0.00 0.00 173.10 172.55 1sqj n PRO 571 N -3.09 0.00 -2.23 2.90 -0.02 -1.25 -4.46 135.00 126.85 1sqj n PRO 571 Ca 0.09 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.19 1sqj n PRO 571 Cb 0.61 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.67 1sqj n PRO 571 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1sqj s TRP 572 N 0.25 2.88 0.20 6.00 0.52 -0.68 -4.35 118.94 123.77 1sqj s TRP 572 Ca 0.87 1.52 0.10 0.00 0.02 0.00 0.00 56.10 58.61 1sqj s TRP 572 Cb -1.21 -3.42 -0.04 0.00 -1.15 0.00 0.00 33.47 27.64 1sqj s TRP 572 CO 0.56 -1.58 -0.19 1.52 0.02 0.00 0.00 176.95 177.28 1sqj s TYR 573 N -1.49 1.97 -0.20 -1.98 1.13 -0.89 -0.26 117.35 115.64 1sqj s TYR 573 Ca 0.62 -0.44 -0.13 0.00 -1.41 0.00 0.00 57.07 55.71 1sqj s TYR 573 Cb -0.30 -0.94 0.06 0.00 -1.10 0.00 0.00 41.96 39.68 1sqj s TYR 573 CO 0.37 0.45 0.50 0.45 -2.51 0.00 0.00 175.55 174.81 1sqj s SER 574 N -2.99 -0.62 0.00 -0.18 0.15 0.38 -1.09 113.70 109.35 1sqj s SER 574 Ca 0.21 1.07 0.04 0.00 0.70 0.00 0.00 55.95 57.96 1sqj s SER 574 Cb -0.05 0.98 0.08 0.00 -1.71 0.00 0.00 66.02 65.32 1sqj s SER 574 CO 0.09 -0.20 0.98 1.41 1.20 0.00 0.00 173.24 176.72 1sqj n HIS 575 N 3.95 0.12 -1.96 3.44 8.25 -1.26 -0.73 115.22 127.03 1sqj n HIS 575 Ca -0.20 -0.39 0.02 0.00 -0.26 0.00 0.00 57.72 56.88 1sqj n HIS 575 Cb 0.56 -0.03 0.13 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.09 1.87 -3.96 0.41 3.85 -1.26 -4.92 116.55 112.45 1sqj n ASP 576 Ca 0.03 -3.26 -0.30 0.00 -0.71 0.00 0.00 54.79 50.55 1sqj n ASP 576 Cb 0.26 -0.44 0.01 0.00 -1.35 0.00 0.00 41.12 39.60 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 -0.60 -2.12 -0.16 2.11 4.02 -1.26 -2.88 117.16 116.27 1sqj n TYR 577 Ca 0.18 0.87 0.00 0.00 -0.01 0.00 0.00 57.90 58.94 1sqj n TYR 577 Cb 0.85 -3.81 0.00 0.00 -0.02 0.00 0.00 39.34 36.37 1sqj n TYR 577 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sqj n GLY 578 N -1.64 0.58 0.17 2.72 0.00 -1.26 -4.56 105.19 101.19 1sqj n GLY 578 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 4.52 0.41 -5.53 1.61 1.57 -1.83 -1.90 116.57 115.41 1sqj h LYS 579 Ca 0.00 -0.02 -0.44 0.00 -1.87 0.00 0.00 60.65 58.31 1sqj h LYS 579 Cb 0.00 -0.09 -0.21 0.00 0.08 0.00 0.00 32.23 32.01 1sqj h LYS 579 CO 0.00 0.27 -0.79 0.95 -0.57 0.00 0.00 179.45 179.32 1sqj s THR 580 N -6.16 1.27 -0.09 -0.16 -4.23 -1.26 -4.60 115.64 100.42 1sqj s THR 580 Ca -0.13 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1sqj s THR 580 Cb 0.11 -1.23 -0.00 0.00 1.34 0.00 0.00 72.50 72.72 1sqj s THR 580 CO 0.72 -0.21 -0.23 0.26 -0.54 0.00 0.00 174.62 174.61 1sqj s TRP 581 N -1.36 2.45 0.31 3.99 0.52 -1.26 -4.49 118.94 119.10 1sqj s TRP 581 Ca 0.01 -0.93 0.06 0.00 0.02 0.00 0.00 56.10 55.26 1sqj s TRP 581 Cb -0.09 -1.63 -0.06 0.00 -1.15 0.00 0.00 33.47 30.53 1sqj s TRP 581 CO 0.03 -0.36 -0.03 -1.12 0.02 0.00 0.00 176.95 175.49 1sqj s SER 582 N 0.23 2.88 -0.10 2.95 0.01 -0.25 -4.92 113.70 114.50 1sqj s SER 582 Ca -0.15 -1.25 -0.20 0.00 1.31 0.00 0.00 55.95 55.67 1sqj s SER 582 Cb -0.17 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 1sqj s SER 582 CO 0.07 -0.40 0.55 -0.69 0.41 0.00 0.00 173.24 173.18 1sqj s VAL 583 N -3.01 5.14 0.50 3.43 1.01 -1.26 -2.10 120.40 124.10 1sqj s VAL 583 Ca 0.32 1.11 -0.19 0.00 0.00 0.00 0.00 61.98 63.21 1sqj s VAL 583 Cb 0.05 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 1sqj s VAL 583 CO 0.14 0.31 1.03 -2.16 0.00 0.00 0.00 175.10 174.41 1sqj s PRO 584 N 0.64 3.79 0.68 2.72 0.04 -1.26 -4.98 135.00 136.62 1sqj s PRO 584 Ca 0.30 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.60 1sqj s PRO 584 Cb -0.16 -2.10 0.10 0.00 0.04 0.00 0.00 34.50 32.38 1sqj s PRO 584 CO 0.13 -0.43 0.94 0.00 0.04 0.00 0.00 177.00 177.68 1sqj s ALA 585 N -2.14 3.74 0.00 8.56 0.00 0.69 -4.69 121.76 127.92 1sqj s ALA 585 Ca 0.65 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1sqj s ALA 585 Cb -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1sqj s ALA 585 CO 0.23 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1sqj n GLY 586 N -2.71 -1.82 0.21 0.00 0.00 -1.26 -2.21 105.19 97.40 1sqj n GLY 586 Ca 0.13 -1.88 0.09 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.57 1.61 3.45 -1.70 -3.44 116.42 112.77 1sqj h ASP 587 Ca 0.00 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.83 1sqj h ASP 587 Cb 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.64 1sqj h ASP 587 CO 0.00 0.26 0.21 -0.22 -1.57 0.00 0.00 179.24 177.91 1sqj s LEU 588 N -6.78 4.28 -0.12 1.55 2.96 -1.26 -4.91 118.68 114.39 1sqj s LEU 588 Ca 0.01 0.06 0.18 0.00 -0.22 0.00 0.00 54.13 54.15 1sqj s LEU 588 Cb 0.10 -2.84 0.28 0.00 0.50 0.00 0.00 46.19 44.23 1sqj s LEU 588 CO 0.65 -0.70 1.15 0.29 -1.32 0.00 0.00 176.35 176.42 1sqj n LYS 589 N 6.24 1.43 -3.89 1.98 4.01 -1.26 -2.77 118.16 123.90 1sqj n LYS 589 Ca -0.00 -2.51 -0.11 0.00 -0.51 0.00 0.00 58.31 55.18 1sqj n LYS 589 Cb 0.48 -1.47 -0.10 0.00 -0.51 0.00 0.00 35.03 33.43 1sqj n LYS 589 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sqj s ALA 590 N -2.75 -0.22 -1.01 7.82 0.00 -1.04 -1.32 121.76 123.24 1sqj s ALA 590 Ca 0.30 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.98 1sqj s ALA 590 Cb 0.26 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.42 1sqj s ALA 590 CO 0.03 -0.19 2.21 1.04 0.00 0.00 0.00 175.76 178.86 1sqj n GLN 591 N 1.60 2.28 -1.62 0.00 1.13 -1.12 -3.97 117.38 115.68 1sqj n GLN 591 Ca -0.22 -1.60 -0.36 0.00 -1.94 0.00 0.00 57.00 52.87 1sqj n GLN 591 Cb 0.56 -2.54 0.08 0.00 0.11 0.00 0.00 30.24 28.44 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 3.34 2.11 -0.37 5.09 -1.32 -1.26 -3.61 115.64 119.62 1sqj s THR 592 Ca 0.45 0.06 0.25 0.00 -1.21 0.00 0.00 61.69 61.24 1sqj s THR 592 Cb 0.12 -2.88 0.35 0.00 -1.51 0.00 0.00 72.50 68.57 1sqj s THR 592 CO -0.03 -0.02 1.67 0.00 -2.21 0.00 0.00 174.62 174.03 1sqj h ALA 593 N 0.22 1.00 -2.28 11.08 0.00 -1.93 -3.41 119.26 123.94 1sqj h ALA 593 Ca -0.50 0.00 -0.79 0.00 0.00 0.00 0.00 54.91 53.62 1sqj h ALA 593 Cb 1.32 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.85 1sqj h ALA 593 CO 0.52 0.00 0.69 0.09 0.00 0.00 0.00 179.25 180.55 1sqj n ASN 594 N -3.08 5.63 -3.94 0.00 3.02 -1.26 -4.75 115.26 110.88 1sqj n ASN 594 Ca 0.04 -3.10 -0.19 0.00 -0.03 0.00 0.00 54.58 51.29 1sqj n ASN 594 Cb 0.50 -1.39 -0.16 0.00 -0.61 0.00 0.00 39.78 38.12 1sqj n ASN 594 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sqj s VAL 595 N -1.11 0.60 0.20 2.41 0.11 -1.26 -1.63 120.40 119.72 1sqj s VAL 595 Ca 0.33 -0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1sqj s VAL 595 Cb -0.06 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1sqj s VAL 595 CO -0.03 0.21 0.14 -1.48 -3.33 0.00 0.00 175.10 170.61 1sqj s LEU 596 N 0.52 1.16 -0.03 2.54 2.34 -0.92 -4.84 118.68 119.45 1sqj s LEU 596 Ca -0.07 -1.35 -0.01 0.00 0.06 0.00 0.00 54.13 52.75 1sqj s LEU 596 Cb -0.11 0.44 -0.04 0.00 -0.56 0.00 0.00 46.19 45.92 1sqj s LEU 596 CO 0.00 -0.84 0.07 -0.94 -1.06 0.00 0.00 176.35 173.58 1sqj s SER 597 N -3.14 5.64 0.60 1.48 1.04 -1.26 -0.69 113.70 117.36 1sqj s SER 597 Ca 0.37 0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.78 1sqj s SER 597 Cb 0.07 -1.63 -0.03 0.00 0.10 0.00 0.00 66.02 64.52 1sqj s SER 597 CO 0.11 0.31 1.28 -0.67 0.98 0.00 0.00 173.24 175.26 1sqj n ASP 598 N 1.49 2.19 -0.84 7.02 2.03 0.34 -4.87 116.55 123.91 1sqj n ASP 598 Ca -0.15 0.89 0.08 0.00 0.52 0.00 0.00 54.79 56.14 1sqj n ASP 598 Cb 0.53 -1.55 0.17 0.00 -0.72 0.00 0.00 41.12 39.55 1sqj n ASP 598 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1sqj n LYS 599 N -1.40 2.25 0.00 -0.67 3.00 -1.26 -3.87 118.16 116.22 1sqj n LYS 599 Ca 0.13 -2.01 0.00 0.00 -0.00 0.00 0.00 58.31 56.43 1sqj n LYS 599 Cb 0.46 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 34.12 1sqj n LYS 599 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1sqj n VAL 600 N 0.98 0.00 -2.93 3.15 0.31 -1.26 -3.99 118.33 114.59 1sqj n VAL 600 Ca 0.14 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.06 1sqj n VAL 600 Cb 0.48 -0.46 -0.04 0.00 -0.91 0.00 0.00 33.84 32.90 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 -1.63 4.30 0.60 5.55 2.00 -1.26 -4.87 119.66 124.35 1sqj s GLN 601 Ca 0.00 0.97 -0.20 0.00 -2.00 0.00 0.00 55.36 54.13 1sqj s GLN 601 Cb 0.00 -3.56 -0.03 0.00 0.80 0.00 0.00 33.01 30.21 1sqj s GLN 601 CO 0.00 -0.28 1.24 -0.25 -0.50 0.00 0.00 175.29 175.50 1sqj n ASP 602 N 5.06 1.99 -0.81 6.67 10.43 -1.26 -3.68 116.55 134.95 1sqj n ASP 602 Ca 0.03 0.88 -0.11 0.00 2.57 0.00 0.00 54.79 58.17 1sqj n ASP 602 Cb 0.49 -1.52 -0.05 0.00 1.84 0.00 0.00 41.12 41.88 1sqj n ASP 602 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sqj n GLY 603 N 0.95 1.19 3.23 0.44 0.00 -1.26 -4.90 105.19 104.84 1sqj n GLY 603 Ca 0.13 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.37 2.51 -0.01 2.61 2.01 -1.24 0.09 115.64 119.24 1sqj s THR 604 Ca 0.00 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1sqj s THR 604 Cb 0.00 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1sqj s THR 604 CO 0.00 0.52 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.00 1sqj s PHE 605 N 0.96 0.82 0.28 4.92 0.40 0.45 -0.50 117.98 125.30 1sqj s PHE 605 Ca -0.03 -0.16 0.10 0.00 -0.60 0.00 0.00 56.93 56.24 1sqj s PHE 605 Cb -0.15 -0.53 -0.05 0.00 0.51 0.00 0.00 43.02 42.80 1sqj s PHE 605 CO -0.03 -0.02 -0.04 0.71 0.70 0.00 0.00 175.22 176.54 1sqj s TYR 606 N -0.19 2.59 -0.00 0.36 1.51 0.13 -0.43 117.35 121.32 1sqj s TYR 606 Ca 0.03 -0.27 -0.29 0.00 -1.01 0.00 0.00 57.07 55.53 1sqj s TYR 606 Cb -0.04 -1.20 0.07 0.00 -0.11 0.00 0.00 41.96 40.69 1sqj s TYR 606 CO -0.00 0.62 0.67 0.00 -1.11 0.00 0.00 175.55 175.73 1sqj s ALA 607 N -2.39 -1.74 -0.01 3.71 0.00 -0.34 -2.16 121.76 118.84 1sqj s ALA 607 Ca 0.32 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.47 1sqj s ALA 607 Cb -0.05 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1sqj s ALA 607 CO 0.19 -0.47 -0.21 0.95 0.00 0.00 0.00 175.76 176.23 1sqj s THR 608 N -1.82 2.54 -0.28 0.00 -4.23 -0.64 -0.46 115.64 110.74 1sqj s THR 608 Ca -0.08 -1.01 -0.20 0.00 -1.18 0.00 0.00 61.69 59.22 1sqj s THR 608 Cb -0.00 -1.96 0.12 0.00 1.34 0.00 0.00 72.50 71.99 1sqj s THR 608 CO 0.04 0.52 0.92 -0.62 -0.54 0.00 0.00 174.62 174.94 1sqj s ASP 609 N -0.85 -0.59 -1.55 3.99 2.15 -0.86 -4.44 116.67 114.52 1sqj s ASP 609 Ca 0.11 1.02 -0.02 0.00 0.43 0.00 0.00 52.55 54.10 1sqj s ASP 609 Cb -0.10 1.14 0.01 0.00 -0.30 0.00 0.00 42.92 43.67 1sqj s ASP 609 CO 0.01 -0.17 0.20 0.61 -0.17 0.00 0.00 175.17 175.65 1sqj n GLY 610 N 3.14 -0.51 2.51 2.66 0.00 -1.26 -1.21 105.19 110.53 1sqj n GLY 610 Ca -0.16 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.12 1.62 3.84 -0.02 0.00 -1.24 -4.94 105.19 103.32 1sqj n GLY 611 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.16 3.03 -0.19 1.61 1.02 -0.35 -4.24 119.74 120.46 1sqj s LYS 612 Ca 0.00 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.10 1sqj s LYS 612 Cb 0.00 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1sqj s LYS 612 CO 0.00 0.47 -0.06 0.12 -0.92 0.00 0.00 175.35 174.96 1sqj s PHE 613 N -1.86 2.95 -0.01 3.18 5.36 -1.26 -2.03 117.98 124.30 1sqj s PHE 613 Ca 0.32 -0.73 0.03 0.00 -0.96 0.00 0.00 56.93 55.59 1sqj s PHE 613 Cb -0.10 -2.03 -0.03 0.00 -0.34 0.00 0.00 43.02 40.53 1sqj s PHE 613 CO 0.25 -0.37 -0.10 -0.06 -1.46 0.00 0.00 175.22 173.48 1sqj s PHE 614 N 1.03 2.82 -0.01 10.12 0.08 0.39 -0.10 117.98 132.31 1sqj s PHE 614 Ca 0.00 -0.08 0.04 0.00 0.12 0.00 0.00 56.93 57.02 1sqj s PHE 614 Cb -0.15 -1.61 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1sqj s PHE 614 CO 0.00 0.32 -0.13 0.08 -0.10 0.00 0.00 175.22 175.39 1sqj s VAL 615 N -0.91 1.04 -0.06 -0.44 1.01 -0.78 -1.19 120.40 119.07 1sqj s VAL 615 Ca 0.15 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.61 1sqj s VAL 615 Cb -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1sqj s VAL 615 CO 0.05 0.30 -0.17 -0.55 0.00 0.00 0.00 175.10 174.73 1sqj s SER 616 N -0.26 2.23 -0.04 3.32 0.15 0.42 -1.07 113.70 118.45 1sqj s SER 616 Ca 0.04 -0.38 0.06 0.00 0.70 0.00 0.00 55.95 56.38 1sqj s SER 616 Cb -0.06 -0.82 0.12 0.00 -1.71 0.00 0.00 66.02 63.55 1sqj s SER 616 CO -0.00 0.12 1.08 0.35 1.20 0.00 0.00 173.24 175.98 1sqj n THR 617 N 3.41 1.26 -1.64 6.45 -2.24 -1.25 -0.41 114.28 119.85 1sqj n THR 617 Ca -0.20 -1.33 0.05 0.00 -2.27 0.00 0.00 64.05 60.31 1sqj n THR 617 Cb 0.53 0.30 0.20 0.00 -2.10 0.00 0.00 70.33 69.25 1sqj n THR 617 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sqj n ASP 618 N -0.62 1.76 0.00 3.42 3.85 -1.09 -4.73 116.55 119.13 1sqj n ASP 618 Ca 0.06 -3.84 0.00 0.00 -0.71 0.00 0.00 54.79 50.30 1sqj n ASP 618 Cb 0.38 -0.52 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 1sqj n ASP 618 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sqj n GLY 619 N -1.05 0.43 1.19 6.12 0.00 0.11 -3.08 105.19 108.91 1sqj n GLY 619 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.99 0.68 0.22 -0.02 0.00 -1.26 -4.75 105.19 97.06 1sqj n GLY 620 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 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 1.63 0.36 -2.20 1.61 1.57 -1.93 -3.41 116.57 114.20 1sqj h LYS 621 Ca 0.00 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1sqj h LYS 621 Cb 0.00 -0.01 -0.21 0.00 0.08 0.00 0.00 32.23 32.09 1sqj h LYS 621 CO 0.00 0.66 0.05 -1.54 -0.57 0.00 0.00 179.45 178.06 1sqj s SER 622 N -6.85 -0.63 0.11 0.86 1.04 -1.26 -0.23 113.70 106.73 1sqj s SER 622 Ca -0.06 1.07 0.07 0.00 0.48 0.00 0.00 55.95 57.52 1sqj s SER 622 Cb 0.13 1.05 -0.04 0.00 0.10 0.00 0.00 66.02 67.27 1sqj s SER 622 CO 0.78 -0.33 -0.10 -0.31 0.98 0.00 0.00 173.24 174.26 1sqj s TYR 623 N -0.15 2.74 -0.10 5.02 1.51 -0.94 -4.29 117.35 121.14 1sqj s TYR 623 Ca -0.04 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1sqj s TYR 623 Cb -0.03 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1sqj s TYR 623 CO 0.03 0.43 -0.19 0.00 -1.11 0.00 0.00 175.55 174.72 1sqj s ALA 624 N -1.24 1.85 -0.15 3.71 0.00 -0.23 -1.64 121.76 124.07 1sqj s ALA 624 Ca 0.22 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 1sqj s ALA 624 Cb -0.11 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 1sqj s ALA 624 CO 0.14 0.13 2.05 0.00 0.00 0.00 0.00 175.76 178.08 1sqj s ALA 625 N 0.62 3.05 0.00 0.00 0.00 -1.26 -1.86 121.76 122.31 1sqj s ALA 625 Ca -0.14 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1sqj s ALA 625 Cb -0.16 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1sqj s ALA 625 CO 0.04 -2.33 0.00 1.63 0.00 0.00 0.00 175.76 175.10 1sqj n LYS 626 N 8.26 1.82 -2.14 0.00 4.76 0.86 -4.99 118.16 126.73 1sqj n LYS 626 Ca 0.25 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.68 1sqj n LYS 626 Cb 0.44 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.64 1sqj n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sqj n GLY 627 N 3.93 0.37 3.72 0.72 0.00 -0.02 -4.24 105.19 109.66 1sqj n GLY 627 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.03 3.69 0.00 4.61 0.00 -0.57 -2.84 121.76 123.61 1sqj s ALA 628 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1sqj s ALA 628 Cb -0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1sqj s ALA 628 CO 0.07 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1sqj n GLY 629 N 3.38 1.05 3.68 0.00 0.00 -1.26 -1.12 105.19 110.91 1sqj n GLY 629 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 4.21 0.42 0.99 2.96 -1.13 -4.63 118.68 121.49 1sqj s LEU 630 Ca 0.00 1.49 -0.25 0.00 -0.22 0.00 0.00 54.13 55.15 1sqj s LEU 630 Cb 0.00 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.06 1sqj s LEU 630 CO 0.00 -0.51 1.23 0.68 -1.32 0.00 0.00 176.35 176.43 1sqj s VAL 631 N 2.35 2.89 -0.14 1.68 -7.23 -1.26 -4.97 120.40 113.71 1sqj s VAL 631 Ca 0.47 0.75 -0.25 0.00 -1.81 0.00 0.00 61.98 61.14 1sqj s VAL 631 Cb -0.17 -3.42 -0.02 0.00 0.56 0.00 0.00 36.38 33.33 1sqj s VAL 631 CO 0.15 0.07 0.80 -0.89 -0.31 0.00 0.00 175.10 174.91 1sqj s THR 632 N -1.37 4.92 0.00 5.32 2.01 -1.26 -4.95 115.64 120.31 1sqj s THR 632 Ca 0.59 1.59 0.00 0.00 0.31 0.00 0.00 61.69 64.17 1sqj s THR 632 Cb -0.34 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.06 1sqj s THR 632 CO 0.42 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 1sqj n GLY 633 N 3.38 3.15 3.71 4.40 0.00 -1.26 -4.94 105.19 113.63 1sqj n GLY 633 Ca 0.03 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.76 2.76 -0.33 2.61 2.01 -1.26 -3.66 115.64 115.01 1sqj s THR 634 Ca 0.00 0.48 -0.29 0.00 0.31 0.00 0.00 61.69 62.19 1sqj s THR 634 Cb 0.00 -3.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.20 1sqj s THR 634 CO 0.00 0.03 1.53 -0.44 -0.69 0.00 0.00 174.62 175.05 1sqj s SER 635 N 1.48 6.30 0.50 3.53 0.01 -1.26 -4.60 113.70 119.67 1sqj s SER 635 Ca 0.71 1.19 0.07 0.00 1.31 0.00 0.00 55.95 59.23 1sqj s SER 635 Cb -0.42 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.29 1sqj s SER 635 CO 0.31 -1.39 0.44 -0.76 0.41 0.00 0.00 173.24 172.25 1sqj s LEU 636 N 5.52 3.03 -0.10 2.44 1.43 -1.26 -4.96 118.68 124.78 1sqj s LEU 636 Ca 0.67 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 1sqj s LEU 636 Cb -0.19 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1sqj s LEU 636 CO 0.30 -0.95 1.34 -0.32 0.23 0.00 0.00 176.35 176.95 1sqj s MET 637 N -4.27 4.25 0.86 1.70 -2.45 -1.26 -4.70 119.30 113.43 1sqj s MET 637 Ca 0.44 1.80 -0.12 0.00 -1.25 0.00 0.00 55.69 56.55 1sqj s MET 637 Cb -0.03 -3.74 0.11 0.00 1.25 0.00 0.00 34.83 32.42 1sqj s MET 637 CO 0.26 -0.67 1.11 -2.14 1.05 0.00 0.00 175.02 174.63 1sqj s PRO 638 N 3.20 1.53 0.04 4.11 0.02 -1.26 -4.65 135.00 137.99 1sqj s PRO 638 Ca 0.59 0.56 0.03 0.00 0.02 0.00 0.00 61.00 62.21 1sqj s PRO 638 Cb -0.26 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.38 1sqj s PRO 638 CO 0.20 -1.99 -0.10 0.00 -0.33 0.00 0.00 177.00 174.78 1sqj s ALA 639 N -3.14 0.80 0.14 -1.55 0.00 -0.53 -4.95 121.76 112.53 1sqj s ALA 639 Ca 0.62 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.88 1sqj s ALA 639 Cb -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1sqj s ALA 639 CO 0.55 0.08 0.07 0.14 0.00 0.00 0.00 175.76 176.60 1sqj s VAL 640 N -1.09 4.21 0.00 0.00 -7.23 -1.26 -0.26 120.40 114.77 1sqj s VAL 640 Ca -0.05 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1sqj s VAL 640 Cb -0.09 -3.10 -0.07 0.00 0.56 0.00 0.00 36.38 33.68 1sqj s VAL 640 CO 0.01 -0.03 1.81 0.21 -0.31 0.00 0.00 175.10 176.79 1sqj s ASN 641 N -2.81 6.55 0.49 4.85 3.84 -0.36 -4.24 114.94 123.26 1sqj s ASN 641 Ca 0.29 2.48 0.14 0.00 0.21 0.00 0.00 52.86 55.98 1sqj s ASN 641 Cb -0.10 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.23 1sqj s ASN 641 CO 0.21 -0.99 2.11 1.55 -2.79 0.00 0.00 177.10 177.20 1sqj h PRO 642 N 9.96 0.08 -0.02 0.43 0.13 -1.85 -3.26 132.00 137.47 1sqj h PRO 642 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1sqj h PRO 642 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1sqj h PRO 642 CO 0.95 0.08 -0.02 0.91 -0.23 0.00 0.00 178.00 179.69 1sqj n TRP 643 N -4.50 0.00 -3.86 1.56 7.02 -1.26 -4.55 117.44 111.85 1sqj n TRP 643 Ca -0.02 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.28 1sqj n TRP 643 Cb 0.11 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 28.83 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 -1.61 0.14 0.15 -0.99 1.01 -1.23 -5.03 120.40 112.84 1sqj s VAL 644 Ca 0.22 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 1sqj s VAL 644 Cb 0.16 -0.26 -0.07 0.00 0.00 0.00 0.00 36.38 36.20 1sqj s VAL 644 CO 0.25 0.16 1.19 0.00 0.00 0.00 0.00 175.10 176.69 1sqj s ALA 645 N 1.29 3.42 0.00 5.51 0.00 -1.26 -3.54 121.76 127.18 1sqj s ALA 645 Ca -0.06 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1sqj s ALA 645 Cb -0.13 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1sqj s ALA 645 CO -0.02 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1sqj n GLY 646 N 2.45 0.45 3.23 0.00 0.00 -1.26 -4.85 105.19 105.21 1sqj n GLY 646 Ca 0.05 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.39 5.83 -0.02 1.61 -1.08 -1.23 -1.00 116.67 118.39 1sqj s ASP 647 Ca 0.00 -2.06 0.08 0.00 -0.52 0.00 0.00 52.55 50.04 1sqj s ASP 647 Cb 0.00 -2.04 -0.02 0.00 -1.46 0.00 0.00 42.92 39.40 1sqj s ASP 647 CO 0.00 -0.68 -0.25 -0.69 0.52 0.00 0.00 175.17 174.08 1sqj s VAL 648 N 1.14 1.97 -0.08 1.11 1.01 0.92 -1.22 120.40 125.25 1sqj s VAL 648 Ca 0.08 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1sqj s VAL 648 Cb -0.25 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1sqj s VAL 648 CO -0.01 0.54 -0.02 0.26 0.00 0.00 0.00 175.10 175.88 1sqj s TRP 649 N -0.60 3.10 -0.08 5.22 0.52 0.64 -0.83 118.94 126.92 1sqj s TRP 649 Ca 0.10 0.15 -0.02 0.00 0.02 0.00 0.00 56.10 56.35 1sqj s TRP 649 Cb -0.10 -1.77 0.03 0.00 -1.15 0.00 0.00 33.47 30.49 1sqj s TRP 649 CO -0.01 0.44 0.02 0.08 0.02 0.00 0.00 176.95 177.50 1sqj s VAL 650 N -0.87 0.23 -0.15 4.03 1.01 -0.12 -1.45 120.40 123.08 1sqj s VAL 650 Ca 0.13 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1sqj s VAL 650 Cb -0.11 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1sqj s VAL 650 CO 0.02 0.18 0.45 -2.16 0.00 0.00 0.00 175.10 173.59 1sqj s PRO 651 N 2.03 4.29 -0.27 2.72 0.04 -1.26 -0.80 135.00 141.74 1sqj s PRO 651 Ca 0.04 0.37 0.03 0.00 0.04 0.00 0.00 61.00 61.48 1sqj s PRO 651 Cb -0.13 -3.47 0.07 0.00 0.04 0.00 0.00 34.50 31.01 1sqj s PRO 651 CO -0.05 0.10 -0.08 0.08 0.04 0.00 0.00 177.00 177.09 1sqj s VAL 652 N 0.83 2.12 0.43 -0.36 1.01 0.64 -4.33 120.40 120.75 1sqj s VAL 652 Ca 0.24 -1.71 0.13 0.00 0.00 0.00 0.00 61.98 60.64 1sqj s VAL 652 Cb -0.15 -2.29 0.32 0.00 0.00 0.00 0.00 36.38 34.26 1sqj s VAL 652 CO 0.09 -0.13 1.99 -0.65 0.00 0.00 0.00 175.10 176.40 1sqj h PRO 653 N 7.77 0.41 -0.01 2.72 0.11 -1.81 0.72 132.00 141.91 1sqj h PRO 653 Ca -0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1sqj h PRO 653 Cb 1.04 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1sqj h PRO 653 CO 0.46 0.27 -0.13 0.39 -0.21 0.00 0.00 178.00 178.78 1sqj n GLU 654 N -4.47 0.80 0.00 1.05 4.71 -1.26 -4.46 120.64 117.01 1sqj n GLU 654 Ca 0.09 -0.34 0.00 0.00 -0.01 0.00 0.00 57.16 56.90 1sqj n GLU 654 Cb 0.33 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 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 1.28 0.16 0.00 0.62 0.00 0.56 -5.07 105.19 102.74 1sqj n GLY 655 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.16 -0.04 3.64 -0.02 0.00 0.22 -4.96 105.19 104.19 1sqj n GLY 656 Ca 0.00 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.39 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 4.09 -0.00 0.99 2.96 -1.23 -0.26 118.68 125.23 1sqj s LEU 657 Ca 0.00 0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.06 1sqj s LEU 657 Cb 0.00 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1sqj s LEU 657 CO 0.00 0.02 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.52 1sqj s PHE 658 N 1.31 2.62 -0.05 5.38 0.08 0.02 -0.86 117.98 126.47 1sqj s PHE 658 Ca 0.08 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.93 1sqj s PHE 658 Cb -0.14 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 1sqj s PHE 658 CO 0.07 0.21 -0.09 -1.58 -0.10 0.00 0.00 175.22 173.73 1sqj s HIS 659 N -0.83 1.16 -0.08 0.36 5.65 -0.44 -0.95 115.29 120.16 1sqj s HIS 659 Ca 0.13 -0.39 0.04 0.00 0.25 0.00 0.00 55.06 55.10 1sqj s HIS 659 Cb -0.11 -0.88 -0.01 0.00 -1.18 0.00 0.00 32.58 30.40 1sqj s HIS 659 CO 0.03 -0.22 -0.22 0.45 -0.65 0.00 0.00 174.74 174.13 1sqj s SER 660 N 0.67 3.28 0.00 9.88 0.15 -0.01 -1.99 113.70 125.68 1sqj s SER 660 Ca -0.12 -0.48 0.14 0.00 0.70 0.00 0.00 55.95 56.19 1sqj s SER 660 Cb -0.14 -1.14 0.36 0.00 -1.71 0.00 0.00 66.02 63.38 1sqj s SER 660 CO 0.02 0.21 1.28 0.35 1.20 0.00 0.00 173.24 176.30 1sqj n THR 661 N 3.18 0.84 -2.13 6.45 -2.24 -1.26 -0.06 114.28 119.06 1sqj n THR 661 Ca -0.18 -0.92 -0.21 0.00 -2.27 0.00 0.00 64.05 60.47 1sqj n THR 661 Cb 0.52 0.63 0.02 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.85 4.48 -2.21 3.42 5.68 -1.07 -4.54 116.55 123.16 1sqj n ASP 662 Ca 0.14 -3.52 -0.16 0.00 -0.50 0.00 0.00 54.79 50.75 1sqj n ASP 662 Cb 0.47 -0.36 0.03 0.00 -1.14 0.00 0.00 41.12 40.11 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 -0.70 -1.39 -0.96 2.11 3.72 -0.17 -3.22 117.46 116.85 1sqj n PHE 663 Ca 0.39 0.36 0.00 0.00 -0.05 0.00 0.00 57.45 58.16 1sqj n PHE 663 Cb 0.95 -3.51 0.00 0.00 -0.94 0.00 0.00 39.48 35.98 1sqj n PHE 663 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sqj n GLY 664 N -1.30 0.63 0.24 1.37 0.00 -1.26 -4.88 105.19 99.99 1sqj n GLY 664 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.79 -3.58 4.61 0.00 -1.94 -0.03 119.26 119.12 1sqj h ALA 665 Ca 0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 54.91 54.16 1sqj h ALA 665 Cb 0.08 -0.12 -0.33 0.00 0.00 0.00 0.00 17.79 17.42 1sqj h ALA 665 CO 0.00 0.65 -0.74 -1.54 0.00 0.00 0.00 179.25 177.62 1sqj s SER 666 N -6.83 0.32 0.14 0.00 1.04 -1.26 -1.51 113.70 105.60 1sqj s SER 666 Ca -0.09 -0.02 0.11 0.00 0.48 0.00 0.00 55.95 56.43 1sqj s SER 666 Cb 0.12 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 1sqj s SER 666 CO 0.84 -0.07 -0.26 -0.36 0.98 0.00 0.00 173.24 174.36 1sqj s PHE 667 N 0.75 2.31 0.07 5.02 0.08 -0.28 -4.24 117.98 121.70 1sqj s PHE 667 Ca -0.07 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.67 1sqj s PHE 667 Cb -0.10 -1.23 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1sqj s PHE 667 CO -0.01 0.37 -0.19 -0.08 -0.10 0.00 0.00 175.22 175.20 1sqj s THR 668 N -1.16 1.52 0.42 0.64 -1.32 -0.84 -4.36 115.64 110.54 1sqj s THR 668 Ca 0.15 -1.35 -0.23 0.00 -1.21 0.00 0.00 61.69 59.05 1sqj s THR 668 Cb -0.10 -1.38 -0.09 0.00 -1.51 0.00 0.00 72.50 69.42 1sqj s THR 668 CO 0.07 -0.02 1.04 -0.60 -2.21 0.00 0.00 174.62 172.90 1sqj s ARG 669 N -1.60 4.09 -0.02 7.08 3.52 -1.26 -1.33 118.95 129.42 1sqj s ARG 669 Ca 0.05 1.45 0.02 0.00 -0.13 0.00 0.00 55.73 57.12 1sqj s ARG 669 Cb -0.09 -2.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 1sqj s ARG 669 CO 0.03 -0.20 -0.09 0.14 -0.81 0.00 0.00 175.30 174.37 1sqj s VAL 670 N -1.76 0.78 0.00 7.11 -7.23 -0.04 -4.92 120.40 114.34 1sqj s VAL 670 Ca 0.60 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1sqj s VAL 670 Cb -0.20 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.05 1sqj s VAL 670 CO 0.25 0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 1sqj n GLY 671 N 3.25 1.21 0.39 2.32 0.00 -1.26 -4.07 105.19 107.03 1sqj n GLY 671 Ca -0.18 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.32 1sqj n GLY 671 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sqj n THR 672 N 0.00 0.50 -2.17 2.61 -2.24 -1.26 -4.98 114.28 106.73 1sqj n THR 672 Ca 0.00 -0.75 -0.38 0.00 -2.27 0.00 0.00 64.05 60.66 1sqj n THR 672 Cb 0.00 0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1sqj n THR 672 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqj s ALA 673 N -0.83 2.99 -0.25 6.98 0.00 -0.96 -3.73 121.76 125.97 1sqj s ALA 673 Ca 0.13 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1sqj s ALA 673 Cb 0.08 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.85 1sqj s ALA 673 CO 0.11 -0.76 0.05 1.21 0.00 0.00 0.00 175.76 176.36 1sqj s ASN 674 N -1.22 3.55 0.05 0.00 2.47 0.23 -3.47 114.94 116.54 1sqj s ASN 674 Ca 0.63 -1.23 0.06 0.00 0.42 0.00 0.00 52.86 52.75 1sqj s ASN 674 Cb -0.31 -0.82 -0.03 0.00 -1.45 0.00 0.00 41.25 38.64 1sqj s ASN 674 CO 0.38 -0.34 -0.14 0.00 -3.72 0.00 0.00 177.10 173.28 1sqj s ALA 675 N 1.67 2.74 -0.11 1.71 0.00 -1.26 -0.90 121.76 125.61 1sqj s ALA 675 Ca 0.03 -1.17 0.19 0.00 0.00 0.00 0.00 51.96 51.00 1sqj s ALA 675 Cb -0.17 -0.84 -0.28 0.00 0.00 0.00 0.00 23.12 21.82 1sqj s ALA 675 CO -0.15 0.59 0.45 0.25 0.00 0.00 0.00 175.76 176.90 1sqj n THR 676 N 1.39 0.00 -4.09 0.00 -2.24 0.11 -4.57 114.28 104.87 1sqj n THR 676 Ca -0.16 -0.39 -0.15 0.00 -2.27 0.00 0.00 64.05 61.09 1sqj n THR 676 Cb 0.52 0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.78 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 -4.16 2.06 0.06 3.22 1.43 -1.18 -4.85 118.68 115.26 1sqj s LEU 677 Ca -0.06 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1sqj s LEU 677 Cb 0.12 -0.20 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 1sqj s LEU 677 CO 0.78 -0.00 -0.09 0.54 0.23 0.00 0.00 176.35 177.81 1sqj s VAL 678 N -0.36 0.70 -0.27 -1.59 0.11 -1.26 -0.99 120.40 116.74 1sqj s VAL 678 Ca -0.01 -1.33 -0.24 0.00 -2.93 0.00 0.00 61.98 57.47 1sqj s VAL 678 Cb -0.03 -0.95 0.08 0.00 -1.53 0.00 0.00 36.38 33.94 1sqj s VAL 678 CO -0.00 -0.47 0.75 -0.55 -3.33 0.00 0.00 175.10 171.50 1sqj s SER 679 N -1.96 -0.74 -0.12 3.54 0.15 -0.28 -4.65 113.70 109.64 1sqj s SER 679 Ca -0.03 1.39 -0.02 0.00 0.70 0.00 0.00 55.95 57.99 1sqj s SER 679 Cb -0.06 1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 65.62 1sqj s SER 679 CO -0.00 -0.24 -0.07 -0.69 1.20 0.00 0.00 173.24 173.44 1sqj s VAL 680 N 0.52 3.63 0.00 4.45 1.01 -1.26 -0.83 120.40 127.92 1sqj s VAL 680 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1sqj s VAL 680 Cb -0.05 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1sqj s VAL 680 CO -0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1sqj n GLY 681 N 3.16 4.42 3.84 4.51 0.00 0.65 -4.40 105.19 117.36 1sqj n GLY 681 Ca -0.18 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.24 3.19 0.67 4.61 0.00 -1.19 -3.90 121.76 122.91 1sqj s ALA 682 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 1sqj s ALA 682 Cb 0.00 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 1sqj s ALA 682 CO 0.00 0.16 1.05 -1.25 0.00 0.00 0.00 175.76 175.72 1sqj s PRO 683 N -3.27 3.20 0.11 0.00 0.04 -1.26 -1.99 135.00 131.83 1sqj s PRO 683 Ca 0.57 0.80 -0.20 0.00 0.04 0.00 0.00 61.00 62.21 1sqj s PRO 683 Cb -0.10 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1sqj s PRO 683 CO 0.19 -0.87 1.77 -0.22 0.04 0.00 0.00 177.00 177.91 1sqj h LYS 684 N -0.54 0.20 0.00 4.56 3.64 -1.96 -3.43 116.57 119.03 1sqj h LYS 684 Ca -0.44 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1sqj h LYS 684 Cb 1.21 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1sqj h LYS 684 CO 0.60 0.13 0.00 0.00 -2.27 0.00 0.00 179.45 177.91 1sqj n ALA 694 N -2.14 0.00 -1.79 5.00 0.00 -1.26 -5.04 120.51 115.28 1sqj n ALA 694 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.04 1sqj n ALA 694 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 1sqj n ALA 694 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sqj s PRO 695 N -4.66 3.99 -0.10 0.00 0.04 -1.26 -4.96 135.00 128.04 1sqj s PRO 695 Ca 0.00 1.47 -0.39 0.00 0.04 0.00 0.00 61.00 62.11 1sqj s PRO 695 Cb 0.00 -2.35 -0.17 0.00 0.04 0.00 0.00 34.50 32.01 1sqj s PRO 695 CO 0.00 -0.29 1.43 0.43 0.04 0.00 0.00 177.00 178.62 1sqj n SER 696 N -0.46 1.50 -4.77 6.66 7.64 -1.26 -4.30 113.62 118.64 1sqj n SER 696 Ca 0.07 1.12 -0.40 0.00 1.01 0.00 0.00 58.87 60.67 1sqj n SER 696 Cb 0.51 -1.09 -0.01 0.00 -1.01 0.00 0.00 64.21 62.60 1sqj n SER 696 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqj s ALA 697 N 1.55 3.41 -0.21 -0.43 0.00 -0.84 -4.78 121.76 120.46 1sqj s ALA 697 Ca 0.92 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 54.10 1sqj s ALA 697 Cb -1.11 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 18.52 1sqj s ALA 697 CO 0.58 -0.72 -0.05 0.08 0.00 0.00 0.00 175.76 175.65 1sqj s VAL 698 N -1.19 3.40 -0.11 0.00 1.01 -0.09 -0.25 120.40 123.16 1sqj s VAL 698 Ca 0.52 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1sqj s VAL 698 Cb -0.39 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1sqj s VAL 698 CO 0.52 0.43 0.02 -0.36 0.00 0.00 0.00 175.10 175.71 1sqj s PHE 699 N 1.33 3.21 0.11 5.22 0.40 -0.01 0.08 117.98 128.32 1sqj s PHE 699 Ca 0.04 0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.59 1sqj s PHE 699 Cb -0.14 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 1sqj s PHE 699 CO -0.02 0.39 -0.14 0.96 0.70 0.00 0.00 175.22 177.12 1sqj s ILE 700 N -0.55 1.24 -0.25 0.64 -4.36 -0.06 -1.13 121.20 116.74 1sqj s ILE 700 Ca 0.10 -1.64 -0.06 0.00 -0.26 0.00 0.00 60.65 58.79 1sqj s ILE 700 Cb -0.12 -1.43 -0.01 0.00 1.25 0.00 0.00 42.46 42.15 1sqj s ILE 700 CO 0.02 -0.40 0.03 0.86 0.24 0.00 0.00 174.94 175.69 1sqj s TRP 701 N -2.03 3.05 -0.30 1.37 -0.11 -0.16 -1.26 118.94 119.50 1sqj s TRP 701 Ca 0.07 -0.76 0.00 0.00 1.22 0.00 0.00 56.10 56.63 1sqj s TRP 701 Cb -0.05 -2.19 0.00 0.00 -1.50 0.00 0.00 33.47 29.72 1sqj s TRP 701 CO 0.02 -0.49 0.00 0.41 -4.62 0.00 0.00 176.95 172.28 1sqj n GLY 702 N 4.86 -0.50 3.37 5.86 0.00 -0.56 0.06 105.19 118.28 1sqj n GLY 702 Ca -0.16 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.00 2.08 -0.24 2.61 -4.23 -0.08 -0.27 115.64 111.51 1sqj s THR 703 Ca 0.00 -1.86 0.21 0.00 -1.18 0.00 0.00 61.69 58.86 1sqj s THR 703 Cb 0.00 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 71.94 1sqj s THR 703 CO 0.00 -0.11 1.11 -2.24 -0.54 0.00 0.00 174.62 172.83 1sqj h ASP 704 N 3.51 0.00 -4.72 3.99 2.03 -1.86 0.69 116.42 120.06 1sqj h ASP 704 Ca -0.46 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.81 1sqj h ASP 704 Cb 1.19 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 39.49 1sqj h ASP 704 CO 0.45 0.16 0.27 -1.59 -1.03 0.00 0.00 179.24 177.50 1sqj s LYS 705 N -3.22 0.94 0.06 4.15 -2.85 -1.24 -2.26 119.74 115.32 1sqj s LYS 705 Ca 0.00 0.29 -0.36 0.00 -1.00 0.00 0.00 55.97 54.90 1sqj s LYS 705 Cb 0.09 0.44 -0.16 0.00 -2.06 0.00 0.00 37.83 36.14 1sqj s LYS 705 CO 0.77 -0.28 1.44 -2.30 0.10 0.00 0.00 175.35 175.08 1sqj n PRO 706 N 1.01 1.37 0.00 1.78 -0.02 -1.26 -2.41 135.00 135.48 1sqj n PRO 706 Ca -0.17 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1sqj n PRO 706 Cb 0.57 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1sqj n PRO 706 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqj n GLY 707 N 2.89 2.45 3.91 -1.23 0.00 -1.26 -5.10 105.19 106.85 1sqj n GLY 707 Ca 0.19 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1sqj n GLY 707 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sqj s SER 708 N -0.14 4.44 0.75 1.61 1.04 -1.01 -5.03 113.70 115.36 1sqj s SER 708 Ca 0.00 0.69 -0.13 0.00 0.48 0.00 0.00 55.95 56.99 1sqj s SER 708 Cb 0.00 -1.17 0.05 0.00 0.10 0.00 0.00 66.02 65.00 1sqj s SER 708 CO 0.00 -1.93 1.14 -1.81 0.98 0.00 0.00 173.24 171.63 1sqj s ASP 709 N -4.60 4.29 0.10 7.02 1.01 -1.26 -4.88 116.67 118.36 1sqj s ASP 709 Ca 0.63 2.12 -0.30 0.00 0.71 0.00 0.00 52.55 55.70 1sqj s ASP 709 Cb -0.10 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.20 1sqj s ASP 709 CO 0.49 -2.19 1.12 -0.63 0.21 0.00 0.00 175.17 174.18 1sqj s ILE 710 N -2.39 4.08 -0.16 0.77 1.01 -1.26 -4.35 121.20 118.90 1sqj s ILE 710 Ca 0.68 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.94 1sqj s ILE 710 Cb -0.23 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1sqj s ILE 710 CO 0.49 0.19 0.00 0.61 0.00 0.00 0.00 174.94 176.23 1sqj n GLY 711 N 2.67 -0.91 3.61 6.18 0.00 0.62 -4.94 105.19 112.42 1sqj n GLY 711 Ca 0.06 -0.71 -0.39 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 4.05 0.06 0.99 2.96 -1.26 -1.49 118.68 123.99 1sqj s LEU 712 Ca 0.00 0.23 0.07 0.00 -0.22 0.00 0.00 54.13 54.21 1sqj s LEU 712 Cb 0.00 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1sqj s LEU 712 CO 0.00 -0.12 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.39 1sqj s TYR 713 N 1.85 1.79 -0.06 5.38 1.51 -0.39 0.03 117.35 127.46 1sqj s TYR 713 Ca 0.13 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 1sqj s TYR 713 Cb -0.16 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 1sqj s TYR 713 CO 0.10 0.12 -0.24 0.50 -1.11 0.00 0.00 175.55 174.92 1sqj s ARG 714 N -1.38 2.55 -0.08 -0.62 3.52 -0.14 -0.88 118.95 121.92 1sqj s ARG 714 Ca 0.07 -0.88 0.02 0.00 -0.13 0.00 0.00 55.73 54.81 1sqj s ARG 714 Cb -0.09 -2.20 -0.02 0.00 -1.56 0.00 0.00 34.95 31.08 1sqj s ARG 714 CO 0.02 0.41 -0.14 0.45 -0.81 0.00 0.00 175.30 175.23 1sqj s SER 715 N -0.22 3.97 -0.04 -2.12 0.15 0.11 0.35 113.70 115.90 1sqj s SER 715 Ca -0.01 -0.26 0.15 0.00 0.70 0.00 0.00 55.95 56.53 1sqj s SER 715 Cb -0.13 -1.13 0.48 0.00 -1.71 0.00 0.00 66.02 63.52 1sqj s SER 715 CO 0.03 0.27 1.40 0.47 1.20 0.00 0.00 173.24 176.62 1sqj n ASP 716 N 2.80 3.58 -2.62 5.45 10.43 -1.26 -0.91 116.55 134.01 1sqj n ASP 716 Ca -0.18 -2.18 0.00 0.00 2.57 0.00 0.00 54.79 55.01 1sqj n ASP 716 Cb 0.52 -0.38 0.05 0.00 1.84 0.00 0.00 41.12 43.15 1sqj n ASP 716 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1sqj n ASP 717 N 0.78 1.31 -2.41 -2.24 5.68 -1.26 -4.55 116.55 113.85 1sqj n ASP 717 Ca 0.18 -2.03 -0.19 0.00 -0.50 0.00 0.00 54.79 52.25 1sqj n ASP 717 Cb 0.60 -0.39 0.01 0.00 -1.14 0.00 0.00 41.12 40.20 1sqj n ASP 717 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sqj n ASN 718 N -0.48 -5.56 0.00 -1.12 3.02 -1.26 -3.44 115.26 106.42 1sqj n ASN 718 Ca 0.05 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1sqj n ASN 718 Cb 0.85 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 1sqj n ASN 718 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sqj n GLY 719 N -1.22 0.87 0.10 7.41 0.00 -1.26 -4.95 105.19 106.15 1sqj n GLY 719 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 1sqj n GLY 719 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sqj h SER 720 N 0.00 0.28 -3.01 1.61 0.02 -1.92 -3.36 113.55 107.18 1sqj h SER 720 Ca 0.00 -0.96 -0.51 0.00 -0.84 0.00 0.00 61.79 59.48 1sqj h SER 720 Cb 0.00 -0.09 -0.15 0.00 0.14 0.00 0.00 62.40 62.30 1sqj h SER 720 CO 0.00 1.25 -0.75 0.42 -1.14 0.00 0.00 176.83 176.61 1sqj s THR 721 N -2.35 1.96 -0.01 -2.27 -4.23 -1.26 -4.77 115.64 102.71 1sqj s THR 721 Ca -0.16 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.14 1sqj s THR 721 Cb -0.00 -2.08 0.01 0.00 1.34 0.00 0.00 72.50 71.77 1sqj s THR 721 CO 0.77 -0.49 0.01 0.26 -0.54 0.00 0.00 174.62 174.63 1sqj s TRP 722 N -2.67 0.05 -0.13 3.99 0.52 -1.26 -4.24 118.94 115.20 1sqj s TRP 722 Ca 0.23 0.05 -0.03 0.00 0.02 0.00 0.00 56.10 56.38 1sqj s TRP 722 Cb -0.03 -0.14 -0.03 0.00 -1.15 0.00 0.00 33.47 32.12 1sqj s TRP 722 CO 0.09 -0.05 -0.03 -0.08 0.02 0.00 0.00 176.95 176.91 1sqj s THR 723 N 0.53 4.02 0.00 2.01 -1.32 0.16 -4.92 115.64 116.12 1sqj s THR 723 Ca -0.04 -0.33 -0.30 0.00 -1.21 0.00 0.00 61.69 59.81 1sqj s THR 723 Cb -0.07 -2.73 -0.07 0.00 -1.51 0.00 0.00 72.50 68.12 1sqj s THR 723 CO -0.01 0.53 1.67 -0.60 -2.21 0.00 0.00 174.62 174.00 1sqj s ARG 724 N -0.12 4.19 -0.15 7.08 6.06 -1.26 -0.97 118.95 133.77 1sqj s ARG 724 Ca 0.03 2.27 -0.15 0.00 -2.50 0.00 0.00 55.73 55.38 1sqj s ARG 724 Cb -0.13 -3.84 -0.23 0.00 0.06 0.00 0.00 34.95 30.81 1sqj s ARG 724 CO 0.02 -0.80 0.35 0.28 -2.50 0.00 0.00 175.30 172.65 1sqj h VAL 725 N 5.27 0.85 -3.30 7.11 2.07 -0.75 -3.47 116.25 124.03 1sqj h VAL 725 Ca -0.41 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.82 1sqj h VAL 725 Cb 1.19 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1sqj h VAL 725 CO 0.94 0.61 0.00 -0.46 0.02 0.00 0.00 177.57 178.68 1sqj n ASN 726 N -3.99 0.10 -1.83 0.57 6.94 -1.22 -4.89 115.26 110.94 1sqj n ASN 726 Ca -0.30 -0.30 -0.04 0.00 -0.02 0.00 0.00 54.58 53.92 1sqj n ASN 726 Cb 0.86 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.29 1sqj n ASN 726 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1sqj n ASP 727 N -0.86 -1.06 0.27 0.53 3.85 -1.26 -4.92 116.55 113.10 1sqj n ASP 727 Ca 0.00 -1.73 0.16 0.00 -0.71 0.00 0.00 54.79 52.51 1sqj n ASP 727 Cb 0.00 1.77 0.62 0.00 -1.35 0.00 0.00 41.12 42.16 1sqj n ASP 727 CO 0.00 0.00 0.00 0.06 -1.01 0.00 0.00 177.20 176.25 1sqj h GLN 728 N 0.00 0.00 -0.08 0.11 3.07 -1.96 -0.16 115.11 116.08 1sqj h GLN 728 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.58 1sqj h GLN 728 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 1sqj h GLN 728 CO 0.20 0.03 0.00 0.39 0.09 0.00 0.00 178.83 179.54 1sqj n GLU 729 N -3.13 1.77 -2.96 0.06 4.71 -1.26 -4.13 120.64 115.70 1sqj n GLU 729 Ca 0.01 -1.13 -0.23 0.00 -0.01 0.00 0.00 57.16 55.79 1sqj n GLU 729 Cb 0.34 -1.45 -0.03 0.00 -1.01 0.00 0.00 31.44 29.29 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 0.36 2.61 -0.12 -0.32 8.25 -0.07 -4.22 115.22 121.72 1sqj n HIS 730 Ca 0.18 -3.79 -0.16 0.00 -0.26 0.00 0.00 57.72 53.69 1sqj n HIS 730 Cb 0.37 -0.42 -0.11 0.00 1.12 0.00 0.00 29.99 30.96 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 -0.09 2.20 -1.92 0.41 3.02 -0.16 -4.40 115.26 114.32 1sqj n ASN 731 Ca 0.29 -0.11 -0.21 0.00 -0.03 0.00 0.00 54.58 54.51 1sqj n ASN 731 Cb 0.53 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 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 -3.20 -0.40 -0.88 3.10 4.02 -0.23 0.06 117.16 119.64 1sqj n TYR 732 Ca -0.41 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.48 1sqj n TYR 732 Cb 0.93 -3.69 0.00 0.00 -0.02 0.00 0.00 39.34 36.57 1sqj n TYR 732 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1sqj n SER 733 N -1.62 -1.93 0.00 7.72 3.41 -0.31 -4.67 113.62 116.22 1sqj n SER 733 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1sqj n SER 733 Cb 0.69 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 -1.67 0.77 3.74 5.00 0.00 0.11 -3.90 105.19 109.24 1sqj n GLY 734 Ca 0.00 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 -4.20 4.73 0.05 1.61 0.04 -1.26 -4.38 135.00 131.59 1sqj s PRO 735 Ca 0.00 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1sqj s PRO 735 Cb 0.00 -3.31 -0.25 0.00 0.04 0.00 0.00 34.50 30.98 1sqj s PRO 735 CO 0.00 0.30 1.05 1.79 0.04 0.00 0.00 177.00 180.17 1sqj h THR 736 N 3.57 1.39 -3.92 1.26 1.35 -0.60 -3.46 112.91 112.50 1sqj h THR 736 Ca -0.44 -3.07 -0.11 0.00 -0.55 0.00 0.00 66.41 62.24 1sqj h THR 736 Cb 1.21 2.79 -0.16 0.00 -1.73 0.00 0.00 68.15 70.26 1sqj h THR 736 CO 0.70 0.85 -0.52 0.00 -0.25 0.00 0.00 175.52 176.30 1sqj s MET 737 N -2.66 0.66 0.15 4.72 0.23 -1.20 -5.02 119.30 116.18 1sqj s MET 737 Ca -0.04 -0.94 0.08 0.00 -1.03 0.00 0.00 55.69 53.77 1sqj s MET 737 Cb 0.08 0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 1sqj s MET 737 CO 0.85 -0.17 -0.09 0.96 -2.03 0.00 0.00 175.02 174.54 1sqj s ILE 738 N -3.31 3.31 -0.23 3.16 -4.36 -1.26 -0.86 121.20 117.65 1sqj s ILE 738 Ca 0.01 -1.48 -0.03 0.00 -0.26 0.00 0.00 60.65 58.89 1sqj s ILE 738 Cb 0.03 -2.61 0.11 0.00 1.25 0.00 0.00 42.46 41.24 1sqj s ILE 738 CO -0.08 -0.02 0.26 -0.70 0.24 0.00 0.00 174.94 174.64 1sqj s GLU 739 N -2.60 0.24 0.30 0.37 2.56 0.18 -4.79 118.70 114.96 1sqj s GLU 739 Ca 0.24 0.19 -0.28 0.00 0.00 0.00 0.00 54.97 55.11 1sqj s GLU 739 Cb -0.10 -1.00 -0.09 0.00 2.00 0.00 0.00 34.13 34.94 1sqj s GLU 739 CO 0.15 -0.72 1.07 0.00 -0.56 0.00 0.00 175.26 175.20 1sqj s ALA 740 N 2.36 3.33 -0.37 6.30 0.00 -1.26 -0.33 121.76 131.79 1sqj s ALA 740 Ca 0.08 0.82 -0.27 0.00 0.00 0.00 0.00 51.96 52.59 1sqj s ALA 740 Cb -0.15 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1sqj s ALA 740 CO -0.17 -0.12 0.99 0.34 0.00 0.00 0.00 175.76 176.80 1sqj s ASP 741 N -1.07 6.72 0.65 0.00 3.68 -0.66 -4.67 116.67 121.33 1sqj s ASP 741 Ca 0.47 0.66 0.43 0.00 2.13 0.00 0.00 52.55 56.23 1sqj s ASP 741 Cb -0.29 -2.49 2.32 0.00 -1.45 0.00 0.00 42.92 41.00 1sqj s ASP 741 CO 0.37 -0.92 2.30 -0.65 0.13 0.00 0.00 175.17 176.40 1sqj h PRO 742 N 8.51 0.00 0.00 4.34 0.11 -1.79 -3.11 132.00 140.06 1sqj h PRO 742 Ca -0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 1sqj h PRO 742 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sqj h PRO 742 CO 1.01 0.00 -1.81 1.63 -0.21 0.00 0.00 178.00 178.62 1sqj n LYS 743 N -3.02 0.65 -4.05 1.05 5.02 -1.26 -4.06 118.16 112.50 1sqj n LYS 743 Ca -0.03 -0.13 -0.28 0.00 -2.02 0.00 0.00 58.31 55.86 1sqj n LYS 743 Cb 0.09 -1.58 -0.17 0.00 -0.02 0.00 0.00 35.03 33.35 1sqj n LYS 743 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sqj s VAL 744 N -3.45 1.22 0.15 -0.18 1.01 -1.18 -5.02 120.40 112.94 1sqj s VAL 744 Ca -0.07 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 1sqj s VAL 744 Cb 0.13 -1.18 -0.10 0.00 0.00 0.00 0.00 36.38 35.22 1sqj s VAL 744 CO 0.88 0.40 1.65 -0.47 0.00 0.00 0.00 175.10 177.56 1sqj s TYR 745 N 1.49 2.82 0.00 5.22 6.14 -1.26 -2.96 117.35 128.79 1sqj s TYR 745 Ca 0.02 0.44 0.00 0.00 0.64 0.00 0.00 57.07 58.17 1sqj s TYR 745 Cb -0.13 -4.01 0.00 0.00 0.42 0.00 0.00 41.96 38.24 1sqj s TYR 745 CO -0.07 -3.87 0.00 0.41 0.64 0.00 0.00 175.55 172.66 1sqj n GLY 746 N 3.90 0.92 3.65 8.97 0.00 -1.26 -4.68 105.19 116.68 1sqj n GLY 746 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.73 4.18 -0.03 1.61 3.52 -1.15 -4.53 118.95 121.82 1sqj s ARG 747 Ca 0.00 0.70 0.07 0.00 -0.13 0.00 0.00 55.73 56.37 1sqj s ARG 747 Cb 0.00 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 1sqj s ARG 747 CO 0.00 -0.37 -0.25 0.08 -0.81 0.00 0.00 175.30 173.96 1sqj s VAL 748 N 2.33 2.16 -0.13 7.11 1.01 -1.12 -1.65 120.40 130.12 1sqj s VAL 748 Ca 0.30 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1sqj s VAL 748 Cb -0.16 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1sqj s VAL 748 CO 0.09 0.58 0.13 -0.31 0.00 0.00 0.00 175.10 175.59 1sqj s TYR 749 N -0.57 3.53 -0.25 5.22 2.02 0.55 -1.12 117.35 126.73 1sqj s TYR 749 Ca 0.09 0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 57.23 1sqj s TYR 749 Cb -0.10 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 1sqj s TYR 749 CO -0.00 0.64 -0.06 -0.51 -1.57 0.00 0.00 175.55 174.05 1sqj s LEU 750 N -0.80 3.16 -0.01 -1.29 1.43 0.12 -0.65 118.68 120.63 1sqj s LEU 750 Ca 0.14 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 1sqj s LEU 750 Cb -0.12 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1sqj s LEU 750 CO 0.03 -0.12 1.03 -0.83 0.23 0.00 0.00 176.35 176.70 1sqj s GLY 751 N 1.35 2.67 0.38 -3.19 0.00 -0.04 -1.37 107.32 107.11 1sqj s GLY 751 Ca 0.01 0.56 0.08 0.00 0.00 0.00 0.00 44.72 45.37 1sqj s GLY 751 CO -0.04 1.82 0.03 -0.51 0.00 0.00 0.00 173.10 174.41 1sqj s THR 752 N 1.29 2.30 -1.09 0.90 -4.23 -0.45 0.16 115.64 114.52 1sqj s THR 752 Ca 0.53 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 59.01 1sqj s THR 752 Cb -0.22 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.01 1sqj s THR 752 CO 0.26 -0.09 1.11 -3.20 -0.54 0.00 0.00 174.62 172.16 1sqj n ASN 753 N -1.00 5.46 0.00 3.99 2.85 -1.26 -0.94 115.26 124.36 1sqj n ASN 753 Ca -0.04 -3.08 0.00 0.00 -0.11 0.00 0.00 54.58 51.35 1sqj n ASN 753 Cb 0.64 -1.34 0.00 0.00 1.24 0.00 0.00 39.78 40.33 1sqj n ASN 753 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sqj n GLY 754 N 2.53 1.40 0.74 8.20 0.00 -0.38 -4.82 105.19 112.85 1sqj n GLY 754 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.19 2.82 0.00 1.61 5.12 -1.21 -4.12 116.66 120.69 1sqj n ARG 755 Ca 0.00 -2.54 0.00 0.00 -1.93 0.00 0.00 57.85 53.38 1sqj n ARG 755 Cb 0.00 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 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 -0.25 0.98 3.41 -0.13 0.00 -0.57 -4.67 105.19 103.96 1sqj n GLY 756 Ca 0.17 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 3.64 0.03 -0.61 1.01 -1.26 -1.35 121.20 122.66 1sqj s ILE 757 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1sqj s ILE 757 Cb 0.00 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1sqj s ILE 757 CO 0.00 0.46 -0.06 -0.69 0.00 0.00 0.00 174.94 174.65 1sqj s VAL 758 N 0.87 3.67 -0.01 2.92 1.01 -0.47 -0.70 120.40 127.69 1sqj s VAL 758 Ca -0.01 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1sqj s VAL 758 Cb -0.15 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1sqj s VAL 758 CO 0.01 0.32 -0.13 -0.72 0.00 0.00 0.00 175.10 174.59 1sqj s TYR 759 N -1.07 1.13 -0.21 5.22 -0.85 0.86 0.13 117.35 122.55 1sqj s TYR 759 Ca 0.19 -0.22 -0.09 0.00 -0.52 0.00 0.00 57.07 56.43 1sqj s TYR 759 Cb -0.11 -0.72 -0.04 0.00 0.38 0.00 0.00 41.96 41.46 1sqj s TYR 759 CO 0.10 -0.02 0.11 0.00 -1.52 0.00 0.00 175.55 174.22 1sqj s ALA 760 N -0.32 3.50 -0.02 9.51 0.00 -0.28 -1.98 121.76 132.17 1sqj s ALA 760 Ca 0.05 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1sqj s ALA 760 Cb -0.05 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1sqj s ALA 760 CO -0.00 -0.05 -0.19 -0.51 0.00 0.00 0.00 175.76 175.01 1sqj s ASP 761 N 0.78 2.25 0.17 0.00 -0.00 0.03 -2.79 116.67 117.11 1sqj s ASP 761 Ca 0.06 -0.35 -0.31 0.00 -0.00 0.00 0.00 52.55 51.94 1sqj s ASP 761 Cb -0.13 -0.31 -0.10 0.00 -0.00 0.00 0.00 42.92 42.38 1sqj s ASP 761 CO 0.02 0.22 1.56 -0.76 -0.00 0.00 0.00 175.17 176.21 1sqj s LEU 762 N -0.37 4.37 0.22 1.23 1.02 -1.26 0.85 118.68 124.74 1sqj s LEU 762 Ca 0.06 2.63 0.02 0.00 0.02 0.00 0.00 54.13 56.85 1sqj s LEU 762 Cb -0.08 -3.60 -0.05 0.00 0.02 0.00 0.00 46.19 42.48 1sqj s LEU 762 CO -0.00 -0.82 0.04 0.42 0.02 0.00 0.00 176.35 176.01 1sqj s THR 763 N 1.04 0.73 -0.40 5.49 -4.23 -1.26 -4.85 115.64 112.15 1sqj s THR 763 Ca 0.69 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 1sqj s THR 763 Cb -0.44 -2.39 0.42 0.00 1.34 0.00 0.00 72.50 71.44 1sqj s THR 763 CO 0.32 -0.24 1.38 -0.46 -0.54 0.00 0.00 174.62 175.08 1sqj n ASN 764 N -0.38 3.57 0.00 3.99 0.23 -1.26 -4.51 115.26 116.89 1sqj n ASN 764 Ca -0.04 -2.74 0.00 0.00 -0.53 0.00 0.00 54.58 51.28 1sqj n ASN 764 Cb 0.65 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1sqj n ASN 764 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1sqj n GLU 769 N -0.07 0.00 -3.37 -3.83 0.28 -1.26 -5.10 120.64 107.29 1sqj n GLU 769 Ca 0.26 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.82 1sqj n GLU 769 Cb 1.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.79 1sqj n GLU 769 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1sqj s GLU 770 N 0.00 3.00 0.53 3.44 2.56 -1.26 -5.08 118.70 121.89 1sqj s GLU 770 Ca 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 54.97 53.69 1sqj s GLU 770 Cb 0.00 -4.10 -0.02 0.00 2.00 0.00 0.00 34.13 32.01 1sqj s GLU 770 CO 0.00 -1.01 0.85 0.15 -0.56 0.00 0.00 175.26 174.69 1sqj s LYS 771 N 1.79 3.27 0.55 4.30 -0.14 -1.26 -5.05 119.74 123.20 1sqj s LYS 771 Ca 0.06 0.13 -0.21 0.00 -1.36 0.00 0.00 55.97 54.58 1sqj s LYS 771 Cb -0.23 -2.32 -0.05 0.00 -1.68 0.00 0.00 37.83 33.56 1sqj s LYS 771 CO 0.08 -0.44 1.31 -1.12 -0.76 0.00 0.00 175.35 174.42 1sqj s SER 772 N -4.20 5.32 0.18 2.83 0.01 -1.26 -4.98 113.70 111.60 1sqj s SER 772 Ca 0.51 2.64 0.11 0.00 1.31 0.00 0.00 55.95 60.51 1sqj s SER 772 Cb -0.10 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 1sqj s SER 772 CO 0.45 -1.53 -0.23 0.42 0.41 0.00 0.00 173.24 172.77 1sqj s THR 773 N -1.38 2.21 -0.03 1.44 -4.23 -0.91 -4.60 115.64 108.15 1sqj s THR 773 Ca 0.72 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 59.10 1sqj s THR 773 Cb -0.37 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1sqj s THR 773 CO 0.43 -0.14 0.35 0.00 -0.54 0.00 0.00 174.62 174.72 1sqj s ALA 774 N -1.69 -0.89 0.10 3.99 0.00 -1.26 -1.33 121.76 120.69 1sqj s ALA 774 Ca 0.19 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.70 1sqj s ALA 774 Cb -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1sqj s ALA 774 CO 0.09 -0.26 -0.12 -1.59 0.00 0.00 0.00 175.76 173.87 1sqj s LYS 775 N -1.13 0.90 -0.08 0.00 -2.85 -1.02 -4.79 119.74 110.78 1sqj s LYS 775 Ca -0.12 -1.14 -0.30 0.00 -1.00 0.00 0.00 55.97 53.42 1sqj s LYS 775 Cb -0.04 -0.74 -0.02 0.00 -2.06 0.00 0.00 37.83 34.96 1sqj s LYS 775 CO 0.04 0.14 1.11 0.00 0.10 0.00 0.00 175.35 176.74 1sqj h ALA 777 N 7.30 1.82 0.00 0.00 0.00 -1.53 -1.79 119.26 125.06 1sqj h ALA 777 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sqj h ALA 777 Cb 1.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1sqj h ALA 777 CO 0.87 0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.40 1sqj n ASN 778 N -4.51 0.94 0.00 0.00 0.23 -1.26 -4.86 115.26 105.81 1sqj n ASN 778 Ca 0.13 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 1sqj n ASN 778 Cb 0.36 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 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 0.03 0.17 3.56 4.83 0.00 -0.67 -4.99 105.19 108.11 1sqj n GLY 779 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1sqj n GLY 779 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sqj n GLN 780 N -1.36 0.18 0.00 1.61 -0.06 -1.26 -4.97 117.38 111.53 1sqj n GLN 780 Ca 0.00 0.12 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 1sqj n GLN 780 Cb 0.12 -2.11 0.00 0.00 -4.06 0.00 0.00 30.24 24.19 1sqj n GLN 780 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1sqj n LYS 781 N -1.97 0.00 0.00 3.69 4.81 -1.26 -4.36 118.16 119.07 1sqj n LYS 781 Ca 0.11 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1sqj n LYS 781 Cb 0.51 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.14 1sqj n LYS 781 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sqj n GLY 782 N -0.94 0.67 0.07 3.14 0.00 -1.26 -4.86 105.19 102.00 1sqj n GLY 782 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 1.62 -3.06 2.61 -2.24 -1.26 -3.82 114.28 108.13 1sqj n THR 783 Ca 0.00 -1.91 -0.44 0.00 -2.27 0.00 0.00 64.05 59.43 1sqj n THR 783 Cb 0.00 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.36 3.03 -2.29 4.78 5.04 -1.26 -4.92 115.29 117.31 1sqj s HIS 784 Ca 0.24 -1.05 0.20 0.00 -1.54 0.00 0.00 55.06 52.91 1sqj s HIS 784 Cb 0.21 -4.09 0.61 0.00 0.04 0.00 0.00 32.58 29.35 1sqj s HIS 784 CO 0.02 -1.36 1.47 0.00 -2.34 0.00 0.00 174.74 172.54