#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxj s LYS 12 N 0.00 3.88 -1.86 0.38 2.20 -1.26 -4.15 119.74 118.92 3hxj s LYS 12 Ca 0.00 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3hxj s LYS 12 Cb 0.00 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 3hxj s LYS 12 CO 0.00 0.70 0.00 0.91 -0.36 0.00 0.00 175.35 176.60 3hxj n TRP 13 N 1.84 -0.66 0.14 4.03 5.03 -1.26 -4.84 117.44 121.72 3hxj n TRP 13 Ca -0.14 0.00 0.18 0.00 3.03 0.00 0.00 57.50 60.56 3hxj n TRP 13 Cb 0.53 -3.65 0.77 0.00 -1.03 0.00 0.00 31.31 27.93 3hxj n TRP 13 CO 0.00 0.00 0.00 1.49 -0.03 0.00 0.00 177.69 179.15 3hxj h GLU 14 N 0.00 0.00 0.00 -0.99 4.81 -1.74 0.45 114.58 117.11 3hxj h GLU 14 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3hxj h GLU 14 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3hxj h GLU 14 CO 0.57 0.00 -0.15 0.27 -0.73 0.00 0.00 179.01 178.97 3hxj h PHE 15 N 0.00 0.00 0.00 0.92 -5.15 -1.93 -3.40 116.94 107.38 3hxj h PHE 15 Ca 0.14 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.74 3hxj h PHE 15 Cb 0.69 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.84 3hxj h PHE 15 CO 0.00 0.00 -1.45 -0.11 -2.00 0.00 0.00 178.31 174.75 3hxj n LEU 16 N -2.76 1.04 -4.74 2.10 0.00 0.13 -5.03 117.00 107.73 3hxj n LEU 16 Ca 0.04 0.17 -0.36 0.00 0.00 0.00 0.00 56.01 55.87 3hxj n LEU 16 Cb 0.50 -0.41 -0.08 0.00 0.00 0.00 0.00 43.42 43.42 3hxj n LEU 16 CO 0.34 0.09 -0.26 -0.63 0.00 0.00 0.00 177.39 176.93 3hxj s ILE 17 N -2.28 4.73 0.59 1.96 -1.09 0.13 -5.10 121.20 120.15 3hxj s ILE 17 Ca -0.17 -0.09 -0.16 0.00 -2.23 0.00 0.00 60.65 58.00 3hxj s ILE 17 Cb 0.06 -3.02 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 3hxj s ILE 17 CO 0.22 0.60 1.06 -0.83 -1.23 0.00 0.00 174.94 174.76 3hxj s GLY 18 N -0.86 2.14 0.01 6.18 0.00 -1.26 -4.26 107.32 109.28 3hxj s GLY 18 Ca 0.13 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.27 3hxj s GLY 18 CO 0.03 0.73 -0.05 0.54 0.00 0.00 0.00 173.10 174.35 3hxj s ASN 19 N -2.74 0.52 -0.10 1.64 4.22 -1.26 -5.06 114.94 112.16 3hxj s ASN 19 Ca 0.64 -0.24 -0.01 0.00 -2.14 0.00 0.00 52.86 51.11 3hxj s ASN 19 Cb -0.16 -0.01 -0.03 0.00 1.28 0.00 0.00 41.25 42.33 3hxj s ASN 19 CO 0.36 -0.05 -0.05 -0.44 -2.04 0.00 0.00 177.10 174.88 3hxj s SER 20 N -0.61 4.77 0.26 3.54 0.01 -1.26 -5.10 113.70 115.31 3hxj s SER 20 Ca -0.03 -0.04 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 3hxj s SER 20 Cb -0.05 -1.44 -0.09 0.00 0.21 0.00 0.00 66.02 64.65 3hxj s SER 20 CO -0.00 0.30 1.02 0.27 0.41 0.00 0.00 173.24 175.23 3hxj s ILE 21 N -0.40 3.79 -0.04 1.44 -0.00 -1.26 -4.95 121.20 119.78 3hxj s ILE 21 Ca 0.06 1.78 -0.31 0.00 -0.00 0.00 0.00 60.65 62.18 3hxj s ILE 21 Cb -0.12 -4.13 -0.09 0.00 -0.00 0.00 0.00 42.46 38.12 3hxj s ILE 21 CO 0.02 0.41 1.99 0.47 -0.00 0.00 0.00 174.94 177.83 3hxj n ASP 22 N 1.28 3.82 -4.67 4.36 10.43 -1.26 -4.91 116.55 125.60 3hxj n ASP 22 Ca -0.01 0.83 -0.42 0.00 2.57 0.00 0.00 54.79 57.75 3hxj n ASP 22 Cb 0.46 -1.48 -0.03 0.00 1.84 0.00 0.00 41.12 41.92 3hxj n ASP 22 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3hxj s SER 23 N 4.88 6.79 -0.00 -2.24 0.15 -1.26 -5.02 113.70 117.00 3hxj s SER 23 Ca 0.92 2.08 0.06 0.00 0.70 0.00 0.00 55.95 59.71 3hxj s SER 23 Cb -0.51 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.24 3hxj s SER 23 CO 0.44 -0.82 -0.19 -0.44 1.20 0.00 0.00 173.24 173.43 3hxj s SER 24 N 2.51 2.27 0.40 5.45 0.01 -1.26 -5.12 113.70 117.97 3hxj s SER 24 Ca 0.66 -0.39 -0.25 0.00 1.31 0.00 0.00 55.95 57.28 3hxj s SER 24 Cb -0.30 -0.23 -0.11 0.00 0.21 0.00 0.00 66.02 65.59 3hxj s SER 24 CO 0.25 0.21 1.10 -2.65 0.41 0.00 0.00 173.24 172.56 3hxj n PRO 25 N 2.42 1.55 -4.83 12.44 -0.02 -1.26 -4.97 135.00 140.32 3hxj n PRO 25 Ca -0.16 0.55 -0.25 0.00 -2.02 0.00 0.00 63.50 61.62 3hxj n PRO 25 Cb 0.53 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.73 3hxj n PRO 25 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3hxj s ILE 26 N -1.22 1.50 0.05 4.25 -0.00 -0.50 -4.84 121.20 120.44 3hxj s ILE 26 Ca 0.62 -0.88 -0.31 0.00 -0.00 0.00 0.00 60.65 60.08 3hxj s ILE 26 Cb -0.56 -1.26 -0.06 0.00 -0.00 0.00 0.00 42.46 40.58 3hxj s ILE 26 CO 0.58 0.36 1.27 -0.76 -0.00 0.00 0.00 174.94 176.39 3hxj s LEU 27 N -0.61 4.35 0.26 0.37 1.02 -1.26 -1.10 118.68 121.71 3hxj s LEU 27 Ca 0.07 2.08 -0.05 0.00 0.02 0.00 0.00 54.13 56.25 3hxj s LEU 27 Cb -0.08 -3.58 -0.05 0.00 0.02 0.00 0.00 46.19 42.51 3hxj s LEU 27 CO -0.00 -0.56 0.52 0.00 0.02 0.00 0.00 176.35 176.33 3hxj s ALA 28 N 1.39 3.65 0.40 4.21 0.00 0.87 -4.92 121.76 127.36 3hxj s ALA 28 Ca 0.61 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.09 3hxj s ALA 28 Cb -0.31 -2.27 0.82 0.00 0.00 0.00 0.00 23.12 21.36 3hxj s ALA 28 CO 0.28 0.33 1.99 0.87 0.00 0.00 0.00 175.76 179.23 3hxj h LYS 29 N 1.92 0.41 -0.17 0.00 1.57 -1.87 -2.41 116.57 116.01 3hxj h LYS 29 Ca -0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3hxj h LYS 29 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3hxj h LYS 29 CO 0.67 0.38 0.00 0.27 -0.57 0.00 0.00 179.45 180.20 3hxj n ASN 30 N -4.38 0.17 0.00 0.86 6.94 -1.26 -0.19 115.26 117.40 3hxj n ASN 30 Ca 0.01 -1.51 0.00 0.00 -0.02 0.00 0.00 54.58 53.06 3hxj n ASN 30 Cb 0.16 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 3hxj n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hxj n GLY 31 N 0.23 1.25 3.96 4.83 0.00 -0.91 -1.27 105.19 113.28 3hxj n GLY 31 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3hxj n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 32 N -3.14 3.49 -0.17 2.61 2.01 -1.25 -4.78 115.64 114.42 3hxj s THR 32 Ca 0.00 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3hxj s THR 32 Cb 0.00 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.22 3hxj s THR 32 CO 0.00 -0.22 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.87 3hxj s ILE 33 N -2.67 2.04 0.04 1.82 1.01 -1.26 -0.09 121.20 122.09 3hxj s ILE 33 Ca 0.52 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 60.02 3hxj s ILE 33 Cb -0.10 -1.83 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 3hxj s ILE 33 CO 0.39 0.54 0.63 -0.31 0.00 0.00 0.00 174.94 176.18 3hxj s TYR 34 N 1.20 3.75 0.00 3.97 1.51 -0.26 -1.08 117.35 126.44 3hxj s TYR 34 Ca 0.02 1.30 0.00 0.00 -1.01 0.00 0.00 57.07 57.39 3hxj s TYR 34 Cb -0.14 -2.62 0.00 0.00 -0.11 0.00 0.00 41.96 39.09 3hxj s TYR 34 CO -0.11 0.43 0.00 -0.11 -1.11 0.00 0.00 175.55 174.65 3hxj n LEU 35 N 2.32 0.00 0.00 -1.29 0.00 -0.86 -1.40 117.00 115.77 3hxj n LEU 35 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.94 3hxj n LEU 35 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.93 3hxj n LEU 35 CO 0.44 0.00 0.00 -1.54 0.00 0.00 0.00 177.39 176.29 3hxj n SER 38 N 0.00 -0.35 -0.72 1.96 3.41 -1.26 -4.58 113.62 112.09 3hxj n SER 38 Ca 0.00 -0.49 0.07 0.00 -0.26 0.00 0.00 58.87 58.19 3hxj n SER 38 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 3hxj n SER 38 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hxj n ASN 39 N -1.98 3.27 0.29 4.04 6.94 -1.26 -4.62 115.26 121.94 3hxj n ASN 39 Ca 0.00 -2.39 0.19 0.00 -0.02 0.00 0.00 54.58 52.35 3hxj n ASN 39 Cb 0.00 -0.35 1.00 0.00 -2.36 0.00 0.00 39.78 38.07 3hxj n ASN 39 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 3hxj h LYS 40 N 1.88 0.00 -0.03 -3.83 2.10 -2.01 0.52 116.57 115.21 3hxj h LYS 40 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hxj h LYS 40 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 3hxj h LYS 40 CO 0.09 0.00 -0.08 0.09 -2.00 0.00 0.00 179.45 177.54 3hxj n ASN 41 N -3.40 2.66 -0.06 7.07 5.03 -1.26 -4.57 115.26 120.72 3hxj n ASN 41 Ca -0.02 -1.85 -0.11 0.00 0.87 0.00 0.00 54.58 53.47 3hxj n ASN 41 Cb 0.19 0.08 -0.05 0.00 -1.02 0.00 0.00 39.78 38.98 3hxj n ASN 41 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3hxj n LEU 42 N 0.97 1.56 -3.83 3.41 7.99 0.09 -4.83 117.00 122.36 3hxj n LEU 42 Ca 0.14 0.08 -0.05 0.00 -0.01 0.00 0.00 56.01 56.17 3hxj n LEU 42 Cb 0.55 -0.37 0.01 0.00 -0.11 0.00 0.00 43.42 43.50 3hxj n LEU 42 CO 0.18 0.40 0.69 -0.72 -1.51 0.00 0.00 177.39 176.42 3hxj s TYR 43 N -2.22 0.00 0.05 -1.77 1.13 -0.68 -0.73 117.35 113.13 3hxj s TYR 43 Ca -0.16 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.08 3hxj s TYR 43 Cb 0.06 0.72 -0.02 0.00 -1.10 0.00 0.00 41.96 41.61 3hxj s TYR 43 CO 0.23 -1.08 -0.09 0.00 -2.51 0.00 0.00 175.55 172.09 3hxj s ALA 44 N -2.68 0.71 -0.34 9.51 0.00 -0.52 -4.51 121.76 123.94 3hxj s ALA 44 Ca 0.17 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 3hxj s ALA 44 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3hxj s ALA 44 CO 0.06 0.03 0.18 -1.50 0.00 0.00 0.00 175.76 174.53 3hxj s ILE 45 N -1.33 4.69 0.90 0.00 2.07 -1.26 -0.91 121.20 125.36 3hxj s ILE 45 Ca -0.08 -0.53 -0.10 0.00 -1.41 0.00 0.00 60.65 58.52 3hxj s ILE 45 Cb -0.10 -3.47 0.14 0.00 0.13 0.00 0.00 42.46 39.16 3hxj s ILE 45 CO 0.01 -0.04 1.12 0.20 -1.91 0.00 0.00 174.94 174.32 3hxj s ASN 46 N 1.61 3.14 0.30 4.50 0.01 0.19 -4.87 114.94 119.82 3hxj s ASN 46 Ca 0.04 2.03 -0.01 0.00 -0.71 0.00 0.00 52.86 54.21 3hxj s ASN 46 Cb -0.18 -2.52 0.48 0.00 0.41 0.00 0.00 41.25 39.44 3hxj s ASN 46 CO 0.07 -2.94 1.93 0.71 -1.51 0.00 0.00 177.10 175.36 3hxj h THR 47 N -1.76 1.13 0.00 1.60 1.35 -1.98 0.02 112.91 113.27 3hxj h THR 47 Ca -0.45 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3hxj h THR 47 Cb 1.27 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3hxj h THR 47 CO 0.45 0.20 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 3hxj n ASP 48 N -4.46 0.00 0.00 5.36 3.85 -1.26 -4.86 116.55 115.19 3hxj n ASP 48 Ca 0.12 0.02 0.00 0.00 -0.71 0.00 0.00 54.79 54.22 3hxj n ASP 48 Cb 0.13 -0.29 0.00 0.00 -1.35 0.00 0.00 41.12 39.61 3hxj n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hxj n GLY 49 N 0.41 2.51 3.66 6.12 0.00 -0.01 -5.07 105.19 112.81 3hxj n GLY 49 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3hxj n GLY 49 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hxj n SER 50 N 0.00 0.43 -4.61 1.61 2.88 -1.26 -4.62 113.62 108.05 3hxj n SER 50 Ca 0.00 0.49 -0.34 0.00 -1.33 0.00 0.00 58.87 57.69 3hxj n SER 50 Cb 0.00 -1.47 -0.11 0.00 -0.75 0.00 0.00 64.21 61.89 3hxj n SER 50 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hxj s VAL 51 N -2.37 3.96 -0.26 2.46 0.11 -1.26 -0.64 120.40 122.40 3hxj s VAL 51 Ca 0.69 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 59.39 3hxj s VAL 51 Cb -0.26 -2.65 0.06 0.00 -1.53 0.00 0.00 36.38 32.00 3hxj s VAL 51 CO 0.55 0.59 -0.09 -0.75 -3.33 0.00 0.00 175.10 172.08 3hxj s LYS 52 N -0.70 2.06 0.20 1.54 2.20 -0.08 -4.96 119.74 120.00 3hxj s LYS 52 Ca 0.11 -1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 54.10 3hxj s LYS 52 Cb -0.11 -2.85 -0.08 0.00 -1.51 0.00 0.00 37.83 33.28 3hxj s LYS 52 CO 0.02 -0.60 0.96 -1.58 -0.36 0.00 0.00 175.35 173.78 3hxj s TRP 53 N 1.14 3.91 -0.77 4.03 0.52 -1.26 -1.43 118.94 125.08 3hxj s TRP 53 Ca -0.07 1.86 -0.05 0.00 0.02 0.00 0.00 56.10 57.87 3hxj s TRP 53 Cb -0.20 -3.02 0.04 0.00 -1.15 0.00 0.00 33.47 29.14 3hxj s TRP 53 CO -0.06 0.31 2.73 1.19 0.02 0.00 0.00 176.95 181.15 3hxj n PHE 54 N 1.92 1.83 -4.14 -1.98 0.99 0.10 -4.86 117.46 111.31 3hxj n PHE 54 Ca -0.00 -2.26 -0.10 0.00 -0.00 0.00 0.00 57.45 55.09 3hxj n PHE 54 Cb 0.48 -1.61 -0.10 0.00 -1.00 0.00 0.00 39.48 37.24 3hxj n PHE 54 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 3hxj s PHE 55 N -1.07 0.78 0.53 1.38 0.40 -1.26 -4.95 117.98 113.78 3hxj s PHE 55 Ca 0.59 -0.92 -0.22 0.00 -0.60 0.00 0.00 56.93 55.78 3hxj s PHE 55 Cb 0.30 -0.47 -0.05 0.00 0.51 0.00 0.00 43.02 43.30 3hxj s PHE 55 CO -0.15 -0.20 1.37 1.17 0.70 0.00 0.00 175.22 178.12 3hxj n LYS 56 N 0.12 1.79 -0.22 0.44 0.00 -1.26 -4.88 118.16 114.15 3hxj n LYS 56 Ca -0.13 0.65 0.03 0.00 0.00 0.00 0.00 58.31 58.86 3hxj n LYS 56 Cb 0.60 -2.59 0.14 0.00 0.00 0.00 0.00 35.03 33.19 3hxj n LYS 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3hxj h SER 57 N 1.58 -0.00 0.19 3.14 4.64 -1.95 0.16 113.55 121.30 3hxj h SER 57 Ca -0.51 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3hxj h SER 57 Cb 1.30 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 3hxj h SER 57 CO 0.58 -0.02 0.00 1.23 -0.87 0.00 0.00 176.83 177.75 3hxj h GLY 58 N 0.26 0.00 0.31 -0.77 0.00 -2.01 -1.63 103.07 99.23 3hxj h GLY 58 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3hxj h GLY 58 CO -0.46 0.00 -0.07 1.18 0.00 0.00 0.00 176.54 177.19 3hxj n GLU 59 N -3.02 1.14 -4.85 4.80 1.02 0.04 -4.82 120.64 114.95 3hxj n GLU 59 Ca -0.02 -0.50 -0.32 0.00 -0.02 0.00 0.00 57.16 56.29 3hxj n GLU 59 Cb 0.11 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 29.88 3hxj n GLU 59 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hxj s ILE 60 N -2.20 2.20 -0.17 -3.67 1.01 -0.61 -1.05 121.20 116.70 3hxj s ILE 60 Ca 0.35 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 3hxj s ILE 60 Cb 0.21 -1.87 0.05 0.00 0.01 0.00 0.00 42.46 40.86 3hxj s ILE 60 CO 0.41 0.55 0.02 -0.63 0.00 0.00 0.00 174.94 175.29 3hxj s ILE 61 N 0.62 0.56 0.15 2.92 1.01 -0.02 -4.98 121.20 121.47 3hxj s ILE 61 Ca -0.11 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 3hxj s ILE 61 Cb -0.16 -0.99 -0.09 0.00 0.01 0.00 0.00 42.46 41.23 3hxj s ILE 61 CO 0.03 -0.11 1.50 -0.70 0.00 0.00 0.00 174.94 175.66 3hxj s GLU 62 N 1.85 4.25 0.18 2.79 2.12 -1.26 -0.69 118.70 127.94 3hxj s GLU 62 Ca 0.00 2.26 -0.05 0.00 0.36 0.00 0.00 54.97 57.55 3hxj s GLU 62 Cb -0.16 -3.18 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 3hxj s GLU 62 CO -0.07 -0.54 0.42 0.00 -0.54 0.00 0.00 175.26 174.52 3hxj s ARG 64 N -2.88 2.18 0.78 0.00 1.81 -1.26 -4.45 118.95 115.13 3hxj s ARG 64 Ca 0.42 -2.15 -0.13 0.00 -1.72 0.00 0.00 55.73 52.14 3hxj s ARG 64 Cb -0.12 -3.60 0.07 0.00 -0.45 0.00 0.00 34.95 30.86 3hxj s ARG 64 CO 0.25 -1.11 1.18 -2.14 -0.68 0.00 0.00 175.30 172.81 3hxj s PRO 65 N 0.56 1.85 0.47 3.54 0.02 -1.26 -4.89 135.00 135.29 3hxj s PRO 65 Ca 0.12 1.65 0.06 0.00 0.02 0.00 0.00 61.00 62.86 3hxj s PRO 65 Cb -0.22 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 3hxj s PRO 65 CO -0.04 -2.03 0.32 -1.12 -0.33 0.00 0.00 177.00 173.79 3hxj s SER 66 N -2.33 4.66 -0.19 2.53 0.01 0.88 -1.52 113.70 117.74 3hxj s SER 66 Ca 0.71 -1.07 -0.01 0.00 1.31 0.00 0.00 55.95 56.89 3hxj s SER 66 Cb -0.26 -0.12 0.05 0.00 0.21 0.00 0.00 66.02 65.90 3hxj s SER 66 CO 0.50 -0.81 -0.03 -0.63 0.41 0.00 0.00 173.24 172.68 3hxj s ILE 67 N -2.64 1.07 0.00 1.44 1.01 -0.28 -0.72 121.20 121.08 3hxj s ILE 67 Ca 0.39 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3hxj s ILE 67 Cb -0.00 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.10 3hxj s ILE 67 CO 0.23 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3hxj n GLY 68 N 4.86 -1.19 0.80 6.18 0.00 -1.26 -4.07 105.19 110.51 3hxj n GLY 68 Ca -0.11 -1.20 0.10 0.00 0.00 0.00 0.00 46.02 44.81 3hxj n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hxj n LYS 69 N -0.48 1.76 0.04 1.61 5.02 -1.26 -4.42 118.16 120.43 3hxj n LYS 69 Ca 0.00 -1.71 -0.00 0.00 -2.02 0.00 0.00 58.31 54.58 3hxj n LYS 69 Cb 0.00 -1.38 0.30 0.00 -0.02 0.00 0.00 35.03 33.93 3hxj n LYS 69 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3hxj h ASP 70 N 3.75 0.41 0.00 4.39 3.32 -2.03 -3.46 116.42 122.79 3hxj h ASP 70 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3hxj h ASP 70 Cb 0.81 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3hxj h ASP 70 CO 0.00 0.55 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 3hxj n GLY 71 N -0.75 0.84 3.76 2.75 0.00 -1.26 -5.08 105.19 105.46 3hxj n GLY 71 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hxj n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 72 N -2.00 2.41 0.15 2.61 -4.23 -1.26 -4.88 115.64 108.44 3hxj s THR 72 Ca 0.00 0.38 -0.20 0.00 -1.18 0.00 0.00 61.69 60.69 3hxj s THR 72 Cb 0.00 -3.24 -0.07 0.00 1.34 0.00 0.00 72.50 70.52 3hxj s THR 72 CO 0.00 0.08 0.66 -0.63 -0.54 0.00 0.00 174.62 174.19 3hxj s ILE 73 N -0.70 4.63 -0.03 2.99 1.09 -1.26 -1.12 121.20 126.80 3hxj s ILE 73 Ca 0.55 1.28 -0.24 0.00 -1.10 0.00 0.00 60.65 61.13 3hxj s ILE 73 Cb -0.43 -3.91 -0.04 0.00 -1.06 0.00 0.00 42.46 37.02 3hxj s ILE 73 CO 0.53 0.39 0.75 -0.47 -0.10 0.00 0.00 174.94 176.03 3hxj s TYR 74 N -1.31 3.63 -0.47 3.97 5.04 -0.58 -4.79 117.35 122.84 3hxj s TYR 74 Ca 0.36 1.36 0.03 0.00 -2.44 0.00 0.00 57.07 56.38 3hxj s TYR 74 Cb -0.19 -2.84 0.15 0.00 0.35 0.00 0.00 41.96 39.44 3hxj s TYR 74 CO 0.21 0.14 0.31 -0.06 -1.34 0.00 0.00 175.55 174.81 3hxj s PHE 75 N 0.54 1.90 0.11 4.97 0.40 -1.26 -4.74 117.98 119.90 3hxj s PHE 75 Ca 0.39 -2.49 0.02 0.00 -0.60 0.00 0.00 56.93 54.26 3hxj s PHE 75 Cb -0.19 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.67 3hxj s PHE 75 CO 0.21 -0.75 0.09 0.41 0.70 0.00 0.00 175.22 175.87 3hxj n GLY 76 N 3.10 3.65 0.24 4.36 0.00 -1.26 -5.03 105.19 110.25 3hxj n GLY 76 Ca 0.17 -1.73 0.16 0.00 0.00 0.00 0.00 46.02 44.62 3hxj n GLY 76 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hxj h SER 77 N 0.65 0.00 -2.87 1.61 4.64 -1.96 -3.43 113.55 112.18 3hxj h SER 77 Ca -0.07 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.70 3hxj h SER 77 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3hxj h SER 77 CO 0.11 0.00 0.86 -1.81 -0.87 0.00 0.00 176.83 175.12 3hxj s ASP 78 N -5.33 6.82 -0.11 4.97 -0.00 -1.26 -4.48 116.67 117.27 3hxj s ASP 78 Ca 0.02 2.15 0.01 0.00 -0.00 0.00 0.00 52.55 54.73 3hxj s ASP 78 Cb 0.09 -2.56 -0.02 0.00 -0.00 0.00 0.00 42.92 40.43 3hxj s ASP 78 CO 0.51 -0.74 -0.14 -0.54 -0.00 0.00 0.00 175.17 174.26 3hxj s LYS 79 N 2.50 3.14 -0.16 8.23 -0.14 0.23 -4.97 119.74 128.57 3hxj s LYS 79 Ca 0.65 -0.70 0.01 0.00 -1.36 0.00 0.00 55.97 54.57 3hxj s LYS 79 Cb -0.32 -2.55 0.01 0.00 -1.68 0.00 0.00 37.83 33.29 3hxj s LYS 79 CO 0.27 0.32 -0.19 0.08 -0.76 0.00 0.00 175.35 175.07 3hxj s VAL 80 N 0.07 2.24 -0.05 3.17 1.01 -1.26 0.13 120.40 125.71 3hxj s VAL 80 Ca -0.05 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.09 3hxj s VAL 80 Cb -0.15 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3hxj s VAL 80 CO 0.04 0.53 -0.23 -0.31 0.00 0.00 0.00 175.10 175.13 3hxj s TYR 81 N 1.05 2.46 -0.34 5.22 2.02 -0.25 0.54 117.35 128.06 3hxj s TYR 81 Ca -0.01 -0.56 -0.10 0.00 -0.37 0.00 0.00 57.07 56.02 3hxj s TYR 81 Cb -0.14 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 3hxj s TYR 81 CO -0.06 -0.11 0.18 0.00 -1.57 0.00 0.00 175.55 173.98 3hxj s ALA 82 N -0.34 3.30 -0.15 3.71 0.00 0.14 -0.98 121.76 127.43 3hxj s ALA 82 Ca 0.02 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 3hxj s ALA 82 Cb -0.12 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 3hxj s ALA 82 CO 0.02 -1.07 -0.11 0.42 0.00 0.00 0.00 175.76 175.02 3hxj s ILE 83 N 1.60 3.17 -0.63 0.00 1.09 -0.76 -0.84 121.20 124.85 3hxj s ILE 83 Ca 0.04 -0.61 0.05 0.00 -1.10 0.00 0.00 60.65 59.03 3hxj s ILE 83 Cb -0.18 -2.36 0.16 0.00 -1.06 0.00 0.00 42.46 39.02 3hxj s ILE 83 CO 0.07 0.51 0.41 0.21 -0.10 0.00 0.00 174.94 176.03 3hxj s ASN 84 N 0.52 4.51 0.36 3.58 2.47 -0.22 -2.17 114.94 124.00 3hxj s ASN 84 Ca -0.07 -3.52 -0.28 0.00 0.42 0.00 0.00 52.86 49.41 3hxj s ASN 84 Cb -0.15 -1.57 -0.10 0.00 -1.45 0.00 0.00 41.25 37.97 3hxj s ASN 84 CO 0.04 -0.14 1.40 -2.84 -3.72 0.00 0.00 177.10 171.83 3hxj s PRO 85 N -0.97 4.18 0.70 0.43 0.02 -1.26 -4.76 135.00 133.33 3hxj s PRO 85 Ca 0.22 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 63.52 3hxj s PRO 85 Cb -0.12 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.43 3hxj s PRO 85 CO -0.11 -0.40 1.06 0.34 -0.33 0.00 0.00 177.00 177.56 3hxj s ASP 86 N -0.35 5.35 0.32 2.53 -1.08 -1.26 -4.77 116.67 117.41 3hxj s ASP 86 Ca 0.52 1.64 0.10 0.00 -0.52 0.00 0.00 52.55 54.28 3hxj s ASP 86 Cb -0.43 -2.50 0.93 0.00 -1.46 0.00 0.00 42.92 39.47 3hxj s ASP 86 CO 0.58 -1.47 1.66 1.23 0.52 0.00 0.00 175.17 177.69 3hxj h GLY 87 N -0.69 1.80 2.00 2.66 0.00 -2.00 0.47 103.07 107.30 3hxj h GLY 87 Ca -0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 3hxj h GLY 87 CO 0.56 -0.42 -0.04 0.00 0.00 0.00 0.00 176.54 176.64 3hxj h THR 88 N 0.31 0.10 -0.35 4.70 1.03 -2.03 -2.80 112.91 113.87 3hxj h THR 88 Ca 0.66 -0.65 0.00 0.00 -0.01 0.00 0.00 66.41 66.42 3hxj h THR 88 Cb 1.43 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 70.09 3hxj h THR 88 CO -0.61 0.04 0.00 -0.62 -0.01 0.00 0.00 175.52 174.32 3hxj n GLU 89 N -3.15 3.36 0.10 0.00 -0.58 0.16 -4.53 120.64 116.00 3hxj n GLU 89 Ca 0.01 -2.85 -0.04 0.00 -0.42 0.00 0.00 57.16 53.86 3hxj n GLU 89 Cb 0.34 -1.89 0.05 0.00 -0.57 0.00 0.00 31.44 29.37 3hxj n GLU 89 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3hxj h LYS 90 N 2.38 0.02 -0.08 3.49 1.63 -1.07 -3.24 116.57 119.70 3hxj h LYS 90 Ca 0.00 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3hxj h LYS 90 Cb 1.50 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.13 3hxj h LYS 90 CO 0.26 0.79 0.06 0.11 -3.45 0.00 0.00 179.45 177.22 3hxj h TRP 91 N 0.01 0.00 -0.65 1.91 5.08 -1.80 -2.54 115.95 117.97 3hxj h TRP 91 Ca -0.01 0.00 0.09 0.00 1.08 0.00 0.00 58.89 60.05 3hxj h TRP 91 Cb 1.38 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.50 3hxj h TRP 91 CO 0.00 0.00 0.43 0.00 -1.28 0.00 0.00 178.44 177.59 3hxj h ARG 92 N 0.00 0.49 -2.68 0.12 3.08 -1.88 -3.53 114.38 109.99 3hxj h ARG 92 Ca 0.04 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 3hxj h ARG 92 Cb 0.16 -0.11 -0.25 0.00 0.08 0.00 0.00 29.97 29.84 3hxj h ARG 92 CO -0.00 0.32 -0.27 0.12 -1.07 0.00 0.00 179.97 179.07 3hxj s PHE 93 N -5.47 -0.54 0.00 3.04 2.19 -0.96 -4.77 117.98 111.46 3hxj s PHE 93 Ca -0.08 1.22 0.00 0.00 0.33 0.00 0.00 56.93 58.40 3hxj s PHE 93 Cb 0.20 0.22 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 3hxj s PHE 93 CO 0.76 -0.29 0.00 0.43 1.83 0.00 0.00 175.22 177.94 3hxj n SER 101 N 3.69 0.00 0.00 6.13 7.64 -1.26 -4.87 113.62 124.95 3hxj n SER 101 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 3hxj n SER 101 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 3hxj n SER 101 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3hxj n ASP 102 N 0.00 0.00 -3.76 6.43 2.03 -1.26 -4.80 116.55 115.18 3hxj n ASP 102 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 3hxj n ASP 102 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 3hxj n ASP 102 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3hxj s PHE 103 N -0.56 0.94 -0.20 -0.67 -0.12 -1.26 -2.85 117.98 113.26 3hxj s PHE 103 Ca 0.00 -1.18 -0.13 0.00 -0.05 0.00 0.00 56.93 55.57 3hxj s PHE 103 Cb 0.00 -0.19 0.06 0.00 -0.63 0.00 0.00 43.02 42.26 3hxj s PHE 103 CO 0.00 -0.93 0.49 -0.08 -0.05 0.00 0.00 175.22 174.66 3hxj s THR 104 N -3.71 -0.01 -0.21 -4.49 -1.32 -0.38 -4.82 115.64 100.70 3hxj s THR 104 Ca 0.31 0.05 -0.09 0.00 -1.21 0.00 0.00 61.69 60.75 3hxj s THR 104 Cb 0.02 -0.71 -0.05 0.00 -1.51 0.00 0.00 72.50 70.25 3hxj s THR 104 CO 0.15 0.02 0.12 -0.63 -2.21 0.00 0.00 174.62 172.07 3hxj s ILE 105 N 1.12 5.22 -0.02 5.08 1.01 -1.26 -0.87 121.20 131.47 3hxj s ILE 105 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.71 3hxj s ILE 105 Cb -0.06 -3.39 0.03 0.00 0.01 0.00 0.00 42.46 39.04 3hxj s ILE 105 CO -0.10 0.41 0.02 0.12 0.00 0.00 0.00 174.94 175.39 3hxj s PHE 106 N 0.61 0.17 -1.24 3.97 5.36 0.13 -4.91 117.98 122.06 3hxj s PHE 106 Ca 0.07 0.07 -0.29 0.00 -0.96 0.00 0.00 56.93 55.81 3hxj s PHE 106 Cb -0.12 -0.32 0.03 0.00 -0.34 0.00 0.00 43.02 42.27 3hxj s PHE 106 CO 0.01 -0.11 0.64 0.39 -1.46 0.00 0.00 175.22 174.68 3hxj n GLU 107 N 4.15 -0.52 -1.63 10.12 1.02 -1.26 -0.67 120.64 131.85 3hxj n GLU 107 Ca -0.28 0.14 -0.19 0.00 -0.02 0.00 0.00 57.16 56.81 3hxj n GLU 107 Cb 0.50 -2.89 -0.08 0.00 -0.02 0.00 0.00 31.44 28.95 3hxj n GLU 107 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hxj n ASP 108 N -2.31 -5.34 -4.08 1.62 10.43 -1.26 -4.98 116.55 110.63 3hxj n ASP 108 Ca -0.13 0.43 -0.22 0.00 2.57 0.00 0.00 54.79 57.44 3hxj n ASP 108 Cb 0.58 -4.52 -0.15 0.00 1.84 0.00 0.00 41.12 38.86 3hxj n ASP 108 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hxj s ILE 109 N -2.74 1.07 -0.25 0.53 1.01 0.15 -4.31 121.20 116.67 3hxj s ILE 109 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 3hxj s ILE 109 Cb 0.00 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 3hxj s ILE 109 CO 0.00 0.31 0.29 -0.22 0.00 0.00 0.00 174.94 175.33 3hxj s LEU 110 N -0.07 4.07 -0.42 2.97 2.96 -0.45 -0.69 118.68 127.05 3hxj s LEU 110 Ca 0.00 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.09 3hxj s LEU 110 Cb -0.08 -2.31 0.10 0.00 0.50 0.00 0.00 46.19 44.41 3hxj s LEU 110 CO 0.00 -0.08 0.23 -0.31 -1.32 0.00 0.00 176.35 174.88 3hxj s TYR 111 N 1.64 3.50 -0.04 5.38 2.02 -0.05 -0.64 117.35 129.16 3hxj s TYR 111 Ca 0.12 -2.14 0.07 0.00 -0.37 0.00 0.00 57.07 54.76 3hxj s TYR 111 Cb -0.15 -3.19 -0.01 0.00 -0.40 0.00 0.00 41.96 38.20 3hxj s TYR 111 CO 0.09 -0.95 -0.25 0.54 -1.57 0.00 0.00 175.55 173.41 3hxj s VAL 112 N 1.24 1.99 0.27 0.71 0.11 -0.12 -1.25 120.40 123.34 3hxj s VAL 112 Ca 0.06 -1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 58.05 3hxj s VAL 112 Cb -0.23 -1.67 -0.04 0.00 -1.53 0.00 0.00 36.38 32.91 3hxj s VAL 112 CO -0.02 0.56 0.47 0.42 -3.33 0.00 0.00 175.10 173.19 3hxj s THR 113 N -0.34 5.15 0.00 5.04 -4.23 -1.13 -0.04 115.64 120.08 3hxj s THR 113 Ca 0.02 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 3hxj s THR 113 Cb -0.12 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.94 3hxj s THR 113 CO 0.02 -0.33 0.00 -0.24 -0.54 0.00 0.00 174.62 173.52 3hxj n SER 114 N -1.12 0.00 0.00 3.99 2.88 -0.50 -4.93 113.62 113.93 3hxj n SER 114 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 3hxj n SER 114 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 3hxj n SER 114 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hxj n ASP 116 N 0.00 -0.05 0.00 -3.46 5.68 -1.26 -2.59 116.55 114.87 3hxj n ASP 116 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3hxj n ASP 116 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 3hxj n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxj n GLY 117 N 0.02 1.27 3.92 6.12 0.00 -1.25 -4.80 105.19 110.47 3hxj n GLY 117 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3hxj n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxj s HIS 118 N -3.23 3.40 -0.24 1.61 3.76 -1.25 -1.15 115.29 118.18 3hxj s HIS 118 Ca 0.00 0.03 -0.05 0.00 -0.15 0.00 0.00 55.06 54.89 3hxj s HIS 118 Cb 0.00 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 3hxj s HIS 118 CO 0.00 0.49 0.02 -1.17 -0.85 0.00 0.00 174.74 173.23 3hxj s LEU 119 N -3.52 3.26 -0.05 0.89 2.96 0.44 -1.41 118.68 121.25 3hxj s LEU 119 Ca 0.34 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3hxj s LEU 119 Cb -0.10 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3hxj s LEU 119 CO 0.28 -0.06 0.06 -0.31 -1.32 0.00 0.00 176.35 175.00 3hxj s TYR 120 N 1.52 3.28 -0.26 5.38 1.51 0.94 -0.89 117.35 128.83 3hxj s TYR 120 Ca 0.05 0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 3hxj s TYR 120 Cb -0.15 -1.79 0.06 0.00 -0.11 0.00 0.00 41.96 39.98 3hxj s TYR 120 CO -0.00 0.55 -0.09 0.00 -1.11 0.00 0.00 175.55 174.90 3hxj s ALA 121 N -1.05 2.49 0.20 3.71 0.00 -0.40 -0.94 121.76 125.76 3hxj s ALA 121 Ca 0.18 -1.75 0.10 0.00 0.00 0.00 0.00 51.96 50.50 3hxj s ALA 121 Cb -0.12 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 3hxj s ALA 121 CO 0.08 -1.23 -0.17 0.96 0.00 0.00 0.00 175.76 175.40 3hxj s ILE 122 N 1.14 2.74 0.75 0.00 -4.36 0.19 -0.09 121.20 121.56 3hxj s ILE 122 Ca -0.07 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.34 3hxj s ILE 122 Cb -0.20 -2.34 0.09 0.00 1.25 0.00 0.00 42.46 41.25 3hxj s ILE 122 CO -0.05 -0.14 1.07 0.20 0.24 0.00 0.00 174.94 176.25 3hxj s ASN 123 N -2.82 4.53 0.59 4.36 -0.87 0.06 -1.35 114.94 119.45 3hxj s ASN 123 Ca 0.23 0.39 0.31 0.00 -1.57 0.00 0.00 52.86 52.22 3hxj s ASN 123 Cb -0.08 -0.92 1.83 0.00 -0.02 0.00 0.00 41.25 42.06 3hxj s ASN 123 CO 0.13 -1.79 2.23 0.71 -2.57 0.00 0.00 177.10 175.81 3hxj h THR 124 N -0.76 0.45 -0.00 1.60 1.35 -1.89 -0.41 112.91 113.25 3hxj h THR 124 Ca -0.44 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3hxj h THR 124 Cb 1.30 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3hxj h THR 124 CO 0.56 0.03 -0.08 -0.90 -0.25 0.00 0.00 175.52 174.88 3hxj n ASP 125 N -3.68 0.32 0.00 5.36 5.75 -1.26 -4.90 116.55 118.14 3hxj n ASP 125 Ca -0.03 -0.45 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 3hxj n ASP 125 Cb 0.12 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3hxj n ASP 125 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 126 N 1.28 0.65 3.84 6.12 0.00 -0.16 -5.06 105.19 111.85 3hxj n GLY 126 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3hxj n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 127 N -2.29 4.37 -0.27 2.61 -4.23 -1.26 -4.77 115.64 109.80 3hxj s THR 127 Ca 0.00 0.93 -0.23 0.00 -1.18 0.00 0.00 61.69 61.22 3hxj s THR 127 Cb 0.00 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 3hxj s THR 127 CO 0.00 -0.85 0.74 -0.70 -0.54 0.00 0.00 174.62 173.27 3hxj s GLU 128 N -4.65 4.06 -0.08 3.99 2.12 -1.26 -0.76 118.70 122.11 3hxj s GLU 128 Ca 0.58 0.64 -0.27 0.00 0.36 0.00 0.00 54.97 56.29 3hxj s GLU 128 Cb -0.12 -3.68 -0.23 0.00 0.26 0.00 0.00 34.13 30.36 3hxj s GLU 128 CO 0.45 -0.55 0.98 -0.22 -0.54 0.00 0.00 175.26 175.37 3hxj h LYS 129 N 7.95 -0.01 -2.20 4.30 3.64 -0.83 -3.48 116.57 125.94 3hxj h LYS 129 Ca -0.25 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.32 3hxj h LYS 129 Cb 1.10 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.83 3hxj h LYS 129 CO 0.84 0.72 0.54 1.67 -2.27 0.00 0.00 179.45 180.95 3hxj s TRP 130 N -3.16 -0.14 0.00 1.91 1.48 -1.01 -5.03 118.94 112.99 3hxj s TRP 130 Ca -0.17 -0.11 -0.01 0.00 -1.06 0.00 0.00 56.10 54.75 3hxj s TRP 130 Cb -0.01 0.61 -0.01 0.00 -1.16 0.00 0.00 33.47 32.91 3hxj s TRP 130 CO 0.66 -0.71 0.01 -0.98 -4.06 0.00 0.00 176.95 171.87 3hxj s ARG 131 N -3.14 0.18 -0.11 3.25 1.70 -1.26 -1.28 118.95 118.30 3hxj s ARG 131 Ca 0.12 -0.26 0.04 0.00 -0.47 0.00 0.00 55.73 55.15 3hxj s ARG 131 Cb -0.00 0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.45 3hxj s ARG 131 CO -0.00 -0.03 -0.24 0.12 -1.08 0.00 0.00 175.30 174.07 3hxj s PHE 132 N -0.69 2.58 -0.12 5.89 2.19 -0.07 -4.94 117.98 122.81 3hxj s PHE 132 Ca -0.08 -1.11 -0.08 0.00 0.33 0.00 0.00 56.93 56.00 3hxj s PHE 132 Cb -0.05 -1.73 -0.04 0.00 -1.31 0.00 0.00 43.02 39.89 3hxj s PHE 132 CO -0.00 -0.46 0.16 0.21 1.83 0.00 0.00 175.22 176.96 3hxj s LYS 133 N 0.43 3.59 0.40 10.12 2.20 -1.26 -0.42 119.74 134.80 3hxj s LYS 133 Ca -0.17 -0.10 0.07 0.00 -0.36 0.00 0.00 55.97 55.42 3hxj s LYS 133 Cb -0.18 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 3hxj s LYS 133 CO 0.07 0.70 0.08 0.95 -0.36 0.00 0.00 175.35 176.78 3hxj s THR 134 N -0.81 2.21 -0.93 3.43 -4.23 -0.30 -4.99 115.64 110.02 3hxj s THR 134 Ca 0.15 -1.88 0.25 0.00 -1.18 0.00 0.00 61.69 59.03 3hxj s THR 134 Cb -0.12 -2.96 0.22 0.00 1.34 0.00 0.00 72.50 70.98 3hxj s THR 134 CO 0.04 -0.03 1.79 0.29 -0.54 0.00 0.00 174.62 176.17 3hxj n LYS 135 N -1.07 0.05 -4.11 3.99 5.02 -1.26 -4.76 118.16 116.02 3hxj n LYS 135 Ca -0.03 0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.26 3hxj n LYS 135 Cb 0.65 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 34.01 3hxj n LYS 135 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hxj s LYS 136 N -3.03 1.30 0.55 1.97 1.02 -1.26 -4.93 119.74 115.35 3hxj s LYS 136 Ca 0.11 -1.45 -0.20 0.00 0.02 0.00 0.00 55.97 54.45 3hxj s LYS 136 Cb 0.15 0.35 -0.07 0.00 -0.52 0.00 0.00 37.83 37.74 3hxj s LYS 136 CO 0.47 -0.47 0.95 0.00 -0.92 0.00 0.00 175.35 175.38 3hxj n ALA 137 N -0.29 0.11 -2.90 5.17 0.00 -1.26 -3.90 120.51 117.43 3hxj n ALA 137 Ca -0.00 0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 3hxj n ALA 137 Cb 0.64 -2.08 -0.14 0.00 0.00 0.00 0.00 19.45 17.87 3hxj n ALA 137 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hxj s ILE 138 N -1.46 3.22 0.00 0.00 1.01 -1.07 -1.50 121.20 121.40 3hxj s ILE 138 Ca 0.71 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3hxj s ILE 138 Cb -0.46 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.68 3hxj s ILE 138 CO 0.51 0.54 0.13 -1.22 0.00 0.00 0.00 174.94 174.89 3hxj n TYR 139 N 3.16 0.00 -2.96 3.97 4.01 -1.26 -4.49 117.16 119.59 3hxj n TYR 139 Ca -0.18 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.19 3hxj n TYR 139 Cb 0.53 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.49 3hxj n TYR 139 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hxj s ALA 140 N -0.65 3.36 0.08 -0.72 0.00 -1.21 -4.81 121.76 117.80 3hxj s ALA 140 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 3hxj s ALA 140 Cb 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 3hxj s ALA 140 CO 0.00 0.27 1.02 0.99 0.00 0.00 0.00 175.76 178.04 3hxj s THR 141 N -1.45 4.46 0.55 0.00 2.01 -1.26 -4.83 115.64 115.13 3hxj s THR 141 Ca 0.43 1.92 -0.17 0.00 0.31 0.00 0.00 61.69 64.18 3hxj s THR 141 Cb -0.19 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 3hxj s THR 141 CO 0.23 0.23 1.05 -2.16 -0.69 0.00 0.00 174.62 173.28 3hxj s PRO 142 N 0.42 3.51 -0.00 4.92 0.04 -1.26 -4.31 135.00 138.31 3hxj s PRO 142 Ca 0.51 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.81 3hxj s PRO 142 Cb -0.24 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 3hxj s PRO 142 CO 0.30 -0.66 -0.05 -1.50 0.04 0.00 0.00 177.00 175.13 3hxj s ILE 143 N -2.31 0.41 -0.12 0.56 -1.16 -0.68 -4.63 121.20 113.28 3hxj s ILE 143 Ca 0.65 -0.26 -0.01 0.00 -0.51 0.00 0.00 60.65 60.52 3hxj s ILE 143 Cb -0.16 -0.36 -0.02 0.00 0.61 0.00 0.00 42.46 42.53 3hxj s ILE 143 CO 0.31 0.09 -0.10 0.54 -2.81 0.00 0.00 174.94 172.98 3hxj s VAL 144 N -0.18 3.39 0.57 4.00 0.11 -1.26 0.30 120.40 127.33 3hxj s VAL 144 Ca 0.01 -0.56 -0.10 0.00 -2.93 0.00 0.00 61.98 58.41 3hxj s VAL 144 Cb -0.02 -2.43 0.13 0.00 -1.53 0.00 0.00 36.38 32.53 3hxj s VAL 144 CO -0.00 0.53 0.77 -1.54 -3.33 0.00 0.00 175.10 171.53 3hxj n SER 145 N 3.19 0.01 0.21 3.54 3.41 0.41 -4.91 113.62 119.48 3hxj n SER 145 Ca -0.18 -1.27 -0.15 0.00 -0.26 0.00 0.00 58.87 57.02 3hxj n SER 145 Cb 0.53 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 3hxj n SER 145 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hxj h GLU 146 N 0.00 -0.59 0.00 4.33 4.39 -2.00 -2.47 114.58 118.24 3hxj h GLU 146 Ca -0.25 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3hxj h GLU 146 Cb 0.69 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3hxj h GLU 146 CO 0.18 -0.39 0.00 -0.40 -1.16 0.00 0.00 179.01 177.23 3hxj n ASP 147 N -5.40 0.00 0.00 1.42 5.68 -1.26 -4.83 116.55 112.16 3hxj n ASP 147 Ca -0.10 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 3hxj n ASP 147 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 3hxj n ASP 147 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxj n GLY 148 N 0.13 0.70 3.70 6.12 0.00 -0.93 -4.91 105.19 110.01 3hxj n GLY 148 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3hxj n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 149 N -2.39 3.73 -0.19 2.61 2.01 -1.26 -4.08 115.64 116.07 3hxj s THR 149 Ca 0.00 1.20 -0.15 0.00 0.31 0.00 0.00 61.69 63.05 3hxj s THR 149 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3hxj s THR 149 CO 0.00 0.06 0.36 -0.63 -0.69 0.00 0.00 174.62 173.72 3hxj s ILE 150 N 1.54 5.23 -0.16 1.82 -1.09 0.17 -0.45 121.20 128.27 3hxj s ILE 150 Ca 0.62 0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 59.64 3hxj s ILE 150 Cb -0.32 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 3hxj s ILE 150 CO 0.28 0.29 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.91 3hxj s TYR 151 N 1.11 2.97 -0.28 3.97 2.02 0.15 -0.61 117.35 126.67 3hxj s TYR 151 Ca 0.18 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.26 3hxj s TYR 151 Cb -0.14 -1.95 0.09 0.00 -0.40 0.00 0.00 41.96 39.56 3hxj s TYR 151 CO 0.07 -0.12 0.76 0.54 -1.57 0.00 0.00 175.55 175.23 3hxj s VAL 152 N 0.46 0.00 0.41 0.71 0.11 -0.55 -1.69 120.40 119.85 3hxj s VAL 152 Ca -0.05 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 3hxj s VAL 152 Cb -0.15 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 3hxj s VAL 152 CO 0.03 0.00 0.62 -0.83 -3.33 0.00 0.00 175.10 171.59 3hxj s GLY 153 N 1.14 1.50 0.19 6.54 0.00 -1.26 -0.98 107.32 114.45 3hxj s GLY 153 Ca -0.06 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.66 3hxj s GLY 153 CO -0.12 -0.90 -0.02 -0.45 0.00 0.00 0.00 173.10 171.60 3hxj s SER 154 N -4.16 1.60 0.00 1.64 0.15 -0.74 -4.41 113.70 107.78 3hxj s SER 154 Ca 0.45 -1.16 0.12 0.00 0.70 0.00 0.00 55.95 56.06 3hxj s SER 154 Cb -0.10 0.04 0.66 0.00 -1.71 0.00 0.00 66.02 64.91 3hxj s SER 154 CO 0.37 -0.49 1.22 0.59 1.20 0.00 0.00 173.24 176.13 3hxj n ASN 155 N -0.31 0.00 -0.43 5.45 4.13 -0.56 -1.61 115.26 121.93 3hxj n ASN 155 Ca -0.07 -0.12 0.04 0.00 1.68 0.00 0.00 54.58 56.11 3hxj n ASN 155 Cb 0.63 -0.15 0.11 0.00 -1.54 0.00 0.00 39.78 38.83 3hxj n ASN 155 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3hxj n ASP 156 N -1.15 1.26 0.00 6.41 5.68 -1.26 -4.48 116.55 123.01 3hxj n ASP 156 Ca 0.07 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 3hxj n ASP 156 Cb 0.07 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 3hxj n ASP 156 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hxj n ASN 157 N 0.19 0.00 -4.85 -1.12 3.02 -0.63 -4.94 115.26 106.92 3hxj n ASN 157 Ca 0.08 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.28 3hxj n ASN 157 Cb 0.20 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.06 3hxj n ASN 157 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hxj s TYR 158 N -3.50 3.49 -0.25 3.10 1.51 -1.25 -1.72 117.35 118.72 3hxj s TYR 158 Ca 0.00 0.38 -0.13 0.00 -1.01 0.00 0.00 57.07 56.32 3hxj s TYR 158 Cb 0.00 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 3hxj s TYR 158 CO 0.00 0.65 0.27 -1.17 -1.11 0.00 0.00 175.55 174.19 3hxj s LEU 159 N -1.45 4.08 -0.08 -1.29 2.96 0.20 -1.80 118.68 121.31 3hxj s LEU 159 Ca 0.20 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 54.29 3hxj s LEU 159 Cb -0.12 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 3hxj s LEU 159 CO 0.11 -0.05 0.02 -0.31 -1.32 0.00 0.00 176.35 174.80 3hxj s TYR 160 N 1.54 3.22 -0.30 5.38 2.02 -0.15 -0.91 117.35 128.14 3hxj s TYR 160 Ca 0.11 0.23 0.01 0.00 -0.37 0.00 0.00 57.07 57.05 3hxj s TYR 160 Cb -0.15 -1.79 0.07 0.00 -0.40 0.00 0.00 41.96 39.69 3hxj s TYR 160 CO 0.08 0.51 -0.01 0.00 -1.57 0.00 0.00 175.55 174.56 3hxj s ALA 161 N -0.94 2.77 -0.10 3.71 0.00 -0.51 -1.48 121.76 125.20 3hxj s ALA 161 Ca 0.15 -1.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.10 3hxj s ALA 161 Cb -0.11 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 3hxj s ALA 161 CO 0.04 -1.37 0.06 0.42 0.00 0.00 0.00 175.76 174.91 3hxj s ILE 162 N 1.13 4.79 0.73 0.00 -1.09 0.22 0.18 121.20 127.15 3hxj s ILE 162 Ca -0.03 -0.06 -0.11 0.00 -2.23 0.00 0.00 60.65 58.22 3hxj s ILE 162 Cb -0.20 -3.05 0.03 0.00 -1.58 0.00 0.00 42.46 37.66 3hxj s ILE 162 CO -0.04 0.60 1.09 0.20 -1.23 0.00 0.00 174.94 175.56 3hxj s ASN 163 N -0.87 5.12 0.54 3.58 0.01 0.84 -0.66 114.94 123.50 3hxj s ASN 163 Ca 0.13 1.30 0.25 0.00 -0.71 0.00 0.00 52.86 53.83 3hxj s ASN 163 Cb -0.12 -2.10 1.41 0.00 0.41 0.00 0.00 41.25 40.86 3hxj s ASN 163 CO 0.03 -1.57 2.02 -0.65 -1.51 0.00 0.00 177.10 175.41 3hxj h PRO 164 N -0.81 0.00 -0.01 -0.60 0.11 -1.88 0.07 132.00 128.88 3hxj h PRO 164 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hxj h PRO 164 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hxj h PRO 164 CO 0.61 0.00 -0.10 -0.40 -0.21 0.00 0.00 178.00 177.90 3hxj n ASP 165 N -4.31 0.65 0.00 -2.05 5.75 -1.26 -4.92 116.55 110.42 3hxj n ASP 165 Ca 0.08 -0.82 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 3hxj n ASP 165 Cb 0.53 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3hxj n ASP 165 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 166 N 1.23 0.71 3.81 6.12 0.00 0.01 -4.97 105.19 112.10 3hxj n GLY 166 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3hxj n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 167 N -2.16 3.98 -0.02 2.61 -4.23 -1.26 -4.72 115.64 109.84 3hxj s THR 167 Ca 0.00 0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 61.14 3hxj s THR 167 Cb 0.00 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 3hxj s THR 167 CO 0.00 -0.57 0.97 -0.70 -0.54 0.00 0.00 174.62 173.79 3hxj s GLU 168 N -4.13 4.53 -0.06 3.99 2.12 -1.26 -0.11 118.70 123.77 3hxj s GLU 168 Ca 0.62 1.39 -0.05 0.00 0.36 0.00 0.00 54.97 57.30 3hxj s GLU 168 Cb -0.15 -3.48 -0.27 0.00 0.26 0.00 0.00 34.13 30.49 3hxj s GLU 168 CO 0.37 -0.10 0.61 -0.22 -0.54 0.00 0.00 175.26 175.38 3hxj h LYS 169 N 6.86 0.27 0.00 4.30 3.64 -0.60 -3.46 116.57 127.58 3hxj h LYS 169 Ca -0.39 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.54 3hxj h LYS 169 Cb 1.20 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3hxj h LYS 169 CO 0.77 1.13 0.00 -2.67 -2.27 0.00 0.00 179.45 176.41 3hxj n TRP 170 N -3.45 0.00 -4.13 1.91 4.27 -1.14 -5.02 117.44 109.87 3hxj n TRP 170 Ca -0.24 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.28 3hxj n TRP 170 Cb 1.06 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.91 3hxj n TRP 170 CO 0.00 0.00 0.00 -0.98 -2.29 0.00 0.00 177.69 174.42 3hxj s ARG 171 N -2.00 0.75 -0.05 -2.67 1.70 -1.26 -1.43 118.95 114.00 3hxj s ARG 171 Ca 0.00 -1.30 -0.01 0.00 -0.47 0.00 0.00 55.73 53.95 3hxj s ARG 171 Cb 0.00 0.04 0.03 0.00 -0.57 0.00 0.00 34.95 34.45 3hxj s ARG 171 CO 0.00 -0.10 0.02 0.12 -1.08 0.00 0.00 175.30 174.26 3hxj s PHE 172 N -3.82 0.35 0.07 5.89 2.19 -0.08 -4.95 117.98 117.64 3hxj s PHE 172 Ca 0.12 0.02 -0.22 0.00 0.33 0.00 0.00 56.93 57.18 3hxj s PHE 172 Cb 0.07 -0.55 -0.06 0.00 -1.31 0.00 0.00 43.02 41.16 3hxj s PHE 172 CO -0.06 -0.21 0.64 0.21 1.83 0.00 0.00 175.22 177.64 3hxj s LYS 173 N 1.63 4.34 0.35 10.12 2.20 -1.26 -0.63 119.74 136.49 3hxj s LYS 173 Ca -0.01 0.87 0.04 0.00 -0.36 0.00 0.00 55.97 56.50 3hxj s LYS 173 Cb -0.13 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3hxj s LYS 173 CO -0.03 0.52 0.13 0.25 -0.36 0.00 0.00 175.35 175.86 3hxj n THR 174 N 2.07 0.00 -0.99 3.43 -2.24 -0.70 -4.99 114.28 110.85 3hxj n THR 174 Ca -0.08 -2.06 0.07 0.00 -2.27 0.00 0.00 64.05 59.71 3hxj n THR 174 Cb 0.50 0.75 0.30 0.00 -2.10 0.00 0.00 70.33 69.78 3hxj n THR 174 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hxj n ASN 175 N -1.60 4.42 -3.50 3.42 4.13 -1.26 -4.78 115.26 116.09 3hxj n ASN 175 Ca -0.05 -3.04 -0.13 0.00 1.68 0.00 0.00 54.58 53.04 3hxj n ASN 175 Cb 0.53 -0.60 -0.04 0.00 -1.54 0.00 0.00 39.78 38.13 3hxj n ASN 175 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hxj s ASP 176 N -1.59 -0.50 0.37 6.41 2.15 -1.26 -4.78 116.67 117.47 3hxj s ASP 176 Ca 0.47 0.09 -0.28 0.00 0.43 0.00 0.00 52.55 53.25 3hxj s ASP 176 Cb 0.37 0.55 -0.11 0.00 -0.30 0.00 0.00 42.92 43.43 3hxj s ASP 176 CO 0.11 -0.85 1.48 0.00 -0.17 0.00 0.00 175.17 175.74 3hxj s ALA 177 N -3.13 3.57 -0.46 3.66 0.00 -1.26 -4.12 121.76 120.02 3hxj s ALA 177 Ca -0.02 1.56 -0.17 0.00 0.00 0.00 0.00 51.96 53.33 3hxj s ALA 177 Cb -0.00 -3.60 0.05 0.00 0.00 0.00 0.00 23.12 19.56 3hxj s ALA 177 CO -0.07 -1.03 0.46 0.42 0.00 0.00 0.00 175.76 175.53 3hxj s ILE 178 N -1.09 5.10 -0.47 0.00 -1.09 -0.69 -4.70 121.20 118.27 3hxj s ILE 178 Ca 0.53 -0.65 0.14 0.00 -2.23 0.00 0.00 60.65 58.44 3hxj s ILE 178 Cb -0.46 -4.12 -0.17 0.00 -1.58 0.00 0.00 42.46 36.13 3hxj s ILE 178 CO 0.62 -0.56 0.50 0.35 -1.23 0.00 0.00 174.94 174.62 3hxj n THR 179 N 5.38 0.00 -4.26 2.92 -2.24 -1.26 -3.75 114.28 111.07 3hxj n THR 179 Ca -0.09 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.23 3hxj n THR 179 Cb 0.46 0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 69.39 3hxj n THR 179 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hxj s SER 180 N -2.64 4.69 0.84 3.42 1.04 -1.26 -3.34 113.70 116.44 3hxj s SER 180 Ca 0.02 -0.54 -0.11 0.00 0.48 0.00 0.00 55.95 55.80 3hxj s SER 180 Cb 0.10 -0.94 0.09 0.00 0.10 0.00 0.00 66.02 65.37 3hxj s SER 180 CO 0.56 0.02 1.09 0.00 0.98 0.00 0.00 173.24 175.89 3hxj s ALA 181 N -2.14 1.91 0.51 5.32 0.00 -1.26 -4.70 121.76 121.40 3hxj s ALA 181 Ca 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.24 3hxj s ALA 181 Cb -0.07 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.88 3hxj s ALA 181 CO 0.20 -2.03 0.74 0.00 0.00 0.00 0.00 175.76 174.66 3hxj s ALA 182 N -2.99 3.82 0.10 0.00 0.00 -1.26 -4.60 121.76 116.82 3hxj s ALA 182 Ca 0.62 -1.19 0.09 0.00 0.00 0.00 0.00 51.96 51.48 3hxj s ALA 182 Cb -0.17 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 3hxj s ALA 182 CO 0.56 -0.60 -0.24 -1.12 0.00 0.00 0.00 175.76 174.37 3hxj s SER 183 N -4.34 2.88 -0.10 0.00 0.01 0.12 -4.83 113.70 107.44 3hxj s SER 183 Ca 0.53 -0.67 0.02 0.00 1.31 0.00 0.00 55.95 57.14 3hxj s SER 183 Cb -0.10 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.94 3hxj s SER 183 CO 0.38 0.14 -0.16 -0.63 0.41 0.00 0.00 173.24 173.39 3hxj s ILE 184 N -1.03 1.53 0.57 1.44 -1.09 0.73 -0.27 121.20 123.08 3hxj s ILE 184 Ca 0.10 -0.67 -0.01 0.00 -2.23 0.00 0.00 60.65 57.84 3hxj s ILE 184 Cb -0.10 -1.39 0.03 0.00 -1.58 0.00 0.00 42.46 39.43 3hxj s ILE 184 CO 0.04 0.45 0.82 -0.83 -1.23 0.00 0.00 174.94 174.19 3hxj s GLY 185 N 0.87 1.74 0.59 6.18 0.00 -0.89 -4.12 107.32 111.70 3hxj s GLY 185 Ca -0.09 -1.15 0.34 0.00 0.00 0.00 0.00 44.72 43.81 3hxj s GLY 185 CO 0.00 -0.86 2.24 0.50 0.00 0.00 0.00 173.10 174.98 3hxj h LYS 186 N -0.04 0.00 0.00 2.90 1.79 -1.95 0.24 116.57 119.50 3hxj h LYS 186 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 3hxj h LYS 186 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 3hxj h LYS 186 CO 0.55 0.03 0.00 -3.47 -1.08 0.00 0.00 179.45 175.48 3hxj n ASP 187 N -3.55 0.51 0.00 0.86 2.03 -1.26 -4.89 116.55 110.25 3hxj n ASP 187 Ca -0.03 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.85 3hxj n ASP 187 Cb 0.12 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 3hxj n ASP 187 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hxj n GLY 188 N 0.95 0.40 3.78 0.27 0.00 0.07 -4.95 105.19 105.71 3hxj n GLY 188 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3hxj n GLY 188 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 189 N -2.14 2.16 -0.23 2.61 2.01 -1.26 -4.22 115.64 114.57 3hxj s THR 189 Ca 0.00 0.17 -0.08 0.00 0.31 0.00 0.00 61.69 62.08 3hxj s THR 189 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 3hxj s THR 189 CO 0.00 0.04 0.09 -0.63 -0.69 0.00 0.00 174.62 173.43 3hxj s ILE 190 N -1.13 4.70 -0.13 1.82 1.09 0.10 -2.09 121.20 125.57 3hxj s ILE 190 Ca 0.52 -0.05 -0.01 0.00 -1.10 0.00 0.00 60.65 60.02 3hxj s ILE 190 Cb -0.45 -3.18 -0.02 0.00 -1.06 0.00 0.00 42.46 37.75 3hxj s ILE 190 CO 0.61 0.37 -0.11 -0.31 -0.10 0.00 0.00 174.94 175.40 3hxj s TYR 191 N 1.14 2.85 0.27 3.97 2.02 0.62 -0.73 117.35 127.49 3hxj s TYR 191 Ca 0.05 -0.53 -0.21 0.00 -0.37 0.00 0.00 57.07 56.01 3hxj s TYR 191 Cb -0.14 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.60 3hxj s TYR 191 CO 0.04 -0.13 0.74 -0.59 -1.57 0.00 0.00 175.55 174.04 3hxj s PHE 192 N 0.24 -0.18 0.04 2.71 -0.12 -0.90 0.10 117.98 119.87 3hxj s PHE 192 Ca -0.08 -0.27 -0.00 0.00 -0.05 0.00 0.00 56.93 56.54 3hxj s PHE 192 Cb -0.15 0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 3hxj s PHE 192 CO 0.05 -1.20 -0.04 0.20 -0.05 0.00 0.00 175.22 174.18 3hxj s GLY 193 N -2.92 0.37 0.00 1.99 0.00 -1.26 -0.25 107.32 105.24 3hxj s GLY 193 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3hxj s GLY 193 CO 0.07 -0.95 0.00 -1.14 0.00 0.00 0.00 173.10 171.08 3hxj n SER 194 N 0.98 0.00 0.31 1.64 3.41 -1.25 -4.63 113.62 114.07 3hxj n SER 194 Ca -0.20 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.60 3hxj n SER 194 Cb 0.57 0.00 1.02 0.00 -0.26 0.00 0.00 64.21 65.55 3hxj n SER 194 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3hxj h ASP 195 N 0.00 0.00 -5.08 4.04 3.04 -1.86 0.26 116.42 116.82 3hxj h ASP 195 Ca 0.00 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.80 3hxj h ASP 195 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3hxj h ASP 195 CO 0.00 0.02 0.34 -1.59 -2.04 0.00 0.00 179.24 175.97 3hxj s LYS 196 N -4.19 2.09 0.05 4.15 -2.85 -1.26 -4.33 119.74 113.40 3hxj s LYS 196 Ca -0.04 -1.36 -0.22 0.00 -1.00 0.00 0.00 55.97 53.36 3hxj s LYS 196 Cb 0.13 0.58 -0.06 0.00 -2.06 0.00 0.00 37.83 36.42 3hxj s LYS 196 CO 0.48 -0.98 0.65 0.08 0.10 0.00 0.00 175.35 175.68 3hxj s VAL 197 N -2.16 4.75 0.07 1.79 1.01 0.20 -4.39 120.40 121.67 3hxj s VAL 197 Ca 0.17 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.61 3hxj s VAL 197 Cb -0.05 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3hxj s VAL 197 CO 0.11 0.45 -0.19 -0.31 0.00 0.00 0.00 175.10 175.15 3hxj s TYR 198 N -0.51 1.68 -0.24 5.22 1.51 0.65 -0.23 117.35 125.43 3hxj s TYR 198 Ca 0.33 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.99 3hxj s TYR 198 Cb -0.20 -0.96 0.07 0.00 -0.11 0.00 0.00 41.96 40.76 3hxj s TYR 198 CO 0.20 0.13 0.00 0.00 -1.11 0.00 0.00 175.55 174.78 3hxj s ALA 199 N -1.00 1.65 -0.05 3.71 0.00 -0.29 -2.11 121.76 123.66 3hxj s ALA 199 Ca 0.05 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.76 3hxj s ALA 199 Cb -0.09 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3hxj s ALA 199 CO 0.03 -1.29 -0.04 0.42 0.00 0.00 0.00 175.76 174.88 3hxj s ILE 200 N 1.55 3.90 0.75 0.00 1.09 0.09 0.83 121.20 129.41 3hxj s ILE 200 Ca -0.01 -0.49 -0.11 0.00 -1.10 0.00 0.00 60.65 58.94 3hxj s ILE 200 Cb -0.18 -2.64 0.04 0.00 -1.06 0.00 0.00 42.46 38.62 3hxj s ILE 200 CO -0.10 0.54 1.08 0.20 -0.10 0.00 0.00 174.94 176.56 3hxj s ASN 201 N -1.03 4.93 0.58 3.58 -0.87 0.29 0.03 114.94 122.45 3hxj s ASN 201 Ca 0.14 1.39 0.28 0.00 -1.57 0.00 0.00 52.86 53.10 3hxj s ASN 201 Cb -0.11 -2.18 1.55 0.00 -0.02 0.00 0.00 41.25 40.48 3hxj s ASN 201 CO 0.04 -1.70 2.01 -0.65 -2.57 0.00 0.00 177.10 174.22 3hxj h PRO 202 N -0.90 0.00 -0.05 -0.60 0.11 -1.87 -0.05 132.00 128.64 3hxj h PRO 202 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hxj h PRO 202 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hxj h PRO 202 CO 0.59 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3hxj n ASP 203 N -3.86 0.99 0.00 -2.05 5.68 -1.26 -4.89 116.55 111.16 3hxj n ASP 203 Ca 0.05 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 3hxj n ASP 203 Cb 0.49 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3hxj n ASP 203 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxj n GLY 204 N 1.07 0.76 3.76 6.12 0.00 -0.03 -4.99 105.19 111.88 3hxj n GLY 204 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3hxj n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 205 N -2.29 4.91 -0.06 2.61 2.01 -1.25 -4.81 115.64 116.76 3hxj s THR 205 Ca 0.00 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 3hxj s THR 205 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3hxj s THR 205 CO 0.00 0.41 1.35 -0.70 -0.69 0.00 0.00 174.62 175.00 3hxj s GLU 206 N -0.17 4.27 0.04 4.92 2.12 -1.26 0.11 118.70 128.74 3hxj s GLU 206 Ca 0.31 1.85 -0.11 0.00 0.36 0.00 0.00 54.97 57.39 3hxj s GLU 206 Cb -0.18 -3.67 -0.33 0.00 0.26 0.00 0.00 34.13 30.21 3hxj s GLU 206 CO 0.17 -0.61 1.04 -0.22 -0.54 0.00 0.00 175.26 175.10 3hxj h LYS 207 N 8.04 0.43 0.00 4.30 3.64 0.11 -3.46 116.57 129.63 3hxj h LYS 207 Ca -0.34 -0.74 0.00 0.00 -1.27 0.00 0.00 60.65 58.30 3hxj h LYS 207 Cb 1.16 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3hxj h LYS 207 CO 0.92 1.35 0.00 -2.67 -2.27 0.00 0.00 179.45 176.78 3hxj n TRP 208 N -3.64 0.00 -4.06 1.91 4.27 -1.02 -5.00 117.44 109.91 3hxj n TRP 208 Ca -0.14 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.40 3hxj n TRP 208 Cb 1.07 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.93 3hxj n TRP 208 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3hxj s ASN 209 N 0.00 0.43 -0.14 -0.67 4.22 -1.26 -1.13 114.94 116.38 3hxj s ASN 209 Ca 0.00 -0.92 -0.07 0.00 -2.14 0.00 0.00 52.86 49.74 3hxj s ASN 209 Cb 0.00 0.21 0.06 0.00 1.28 0.00 0.00 41.25 42.79 3hxj s ASN 209 CO 0.00 -0.59 0.32 0.12 -2.04 0.00 0.00 177.10 174.92 3hxj s PHE 210 N -3.69 -0.48 -0.37 1.54 5.36 0.69 -4.98 117.98 116.04 3hxj s PHE 210 Ca 0.05 1.06 -0.17 0.00 -0.96 0.00 0.00 56.93 56.91 3hxj s PHE 210 Cb 0.06 0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 3hxj s PHE 210 CO -0.09 -0.31 0.46 -0.47 -1.46 0.00 0.00 175.22 173.34 3hxj s TYR 211 N 1.61 3.18 -0.25 10.12 5.04 -1.26 0.60 117.35 136.40 3hxj s TYR 211 Ca -0.07 -0.03 -0.01 0.00 -2.44 0.00 0.00 57.07 54.53 3hxj s TYR 211 Cb -0.10 -2.86 0.17 0.00 0.35 0.00 0.00 41.96 39.51 3hxj s TYR 211 CO -0.10 -0.56 2.00 0.00 -1.34 0.00 0.00 175.55 175.55 3hxj n ALA 212 N 5.63 4.84 -1.19 3.97 0.00 -1.26 -4.79 120.51 127.71 3hxj n ALA 212 Ca -0.07 -1.28 -0.07 0.00 0.00 0.00 0.00 53.44 52.03 3hxj n ALA 212 Cb 0.49 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 3hxj n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxj n GLY 213 N 0.59 0.79 0.00 0.00 0.00 -1.26 -4.68 105.19 100.63 3hxj n GLY 213 Ca 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3hxj n GLY 213 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hxj n TYR 214 N -2.47 0.00 -1.77 1.61 9.36 -1.26 -4.66 117.16 117.96 3hxj n TYR 214 Ca -0.07 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.80 3hxj n TYR 214 Cb 0.39 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.15 3hxj n TYR 214 CO 0.00 0.00 0.00 1.67 0.22 0.00 0.00 176.86 178.75 3hxj s TRP 215 N -2.00 2.25 -0.10 2.98 -2.14 -1.26 -4.78 118.94 113.90 3hxj s TRP 215 Ca 0.00 1.54 -0.13 0.00 2.66 0.00 0.00 56.10 60.17 3hxj s TRP 215 Cb 0.00 -3.49 -0.05 0.00 -3.10 0.00 0.00 33.47 26.83 3hxj s TRP 215 CO 0.00 -2.41 0.30 0.99 -2.66 0.00 0.00 176.95 173.17 3hxj s THR 216 N -1.74 5.26 -0.01 0.66 2.01 0.92 -4.67 115.64 118.07 3hxj s THR 216 Ca 0.76 0.57 0.01 0.00 0.31 0.00 0.00 61.69 63.34 3hxj s THR 216 Cb -0.30 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.62 3hxj s THR 216 CO 0.38 0.50 0.75 1.33 -0.69 0.00 0.00 174.62 176.89 3hxj n VAL 217 N 2.67 0.42 -4.32 3.82 0.24 -1.26 -3.91 118.33 116.00 3hxj n VAL 217 Ca -0.14 -0.45 -0.17 0.00 -2.04 0.00 0.00 64.34 61.54 3hxj n VAL 217 Cb 0.53 0.71 -0.10 0.00 -1.47 0.00 0.00 33.84 33.51 3hxj n VAL 217 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3hxj s THR 218 N -0.49 1.28 0.27 3.34 -4.23 -1.26 -4.60 115.64 109.95 3hxj s THR 218 Ca 0.02 -2.09 -0.29 0.00 -1.18 0.00 0.00 61.69 58.15 3hxj s THR 218 Cb 0.02 -2.14 -0.09 0.00 1.34 0.00 0.00 72.50 71.63 3hxj s THR 218 CO 0.00 -0.51 1.00 -0.13 -0.54 0.00 0.00 174.62 174.44 3hxj s ARG 219 N -3.77 4.71 0.41 3.99 0.52 -1.26 -4.63 118.95 118.92 3hxj s ARG 219 Ca 0.24 1.59 -0.22 0.00 -0.52 0.00 0.00 55.73 56.81 3hxj s ARG 219 Cb 0.03 -3.15 -0.10 0.00 0.52 0.00 0.00 34.95 32.25 3hxj s ARG 219 CO 0.06 0.35 0.97 -2.14 0.02 0.00 0.00 175.30 174.56 3hxj s PRO 220 N -1.44 4.25 -0.19 3.54 0.02 -1.26 -4.62 135.00 135.29 3hxj s PRO 220 Ca 0.44 1.24 -0.09 0.00 0.02 0.00 0.00 61.00 62.61 3hxj s PRO 220 Cb -0.27 -2.35 -0.05 0.00 0.02 0.00 0.00 34.50 31.85 3hxj s PRO 220 CO 0.34 -0.02 0.10 0.00 -0.33 0.00 0.00 177.00 177.09 3hxj s ALA 221 N -1.97 3.55 -0.31 -1.55 0.00 0.18 -4.12 121.76 117.54 3hxj s ALA 221 Ca 0.59 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 3hxj s ALA 221 Cb -0.14 -2.06 0.01 0.00 0.00 0.00 0.00 23.12 20.94 3hxj s ALA 221 CO 0.18 0.15 0.10 0.42 0.00 0.00 0.00 175.76 176.61 3hxj s ILE 222 N 0.40 4.05 0.79 0.00 1.01 -0.39 0.46 121.20 127.51 3hxj s ILE 222 Ca 0.06 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 3hxj s ILE 222 Cb -0.12 -3.12 0.06 0.00 0.01 0.00 0.00 42.46 39.30 3hxj s ILE 222 CO -0.01 0.03 1.13 -0.94 0.00 0.00 0.00 174.94 175.15 3hxj s SER 223 N 1.50 4.68 0.26 3.58 1.04 0.08 -4.86 113.70 119.98 3hxj s SER 223 Ca 0.02 1.05 -0.02 0.00 0.48 0.00 0.00 55.95 57.48 3hxj s SER 223 Cb -0.18 -1.71 0.44 0.00 0.10 0.00 0.00 66.02 64.68 3hxj s SER 223 CO 0.03 -1.82 1.85 -0.33 0.98 0.00 0.00 173.24 173.95 3hxj h GLU 224 N -0.99 0.97 -0.09 4.02 4.39 -1.99 -2.02 114.58 118.87 3hxj h GLU 224 Ca -0.47 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3hxj h GLU 224 Cb 1.29 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3hxj h GLU 224 CO 0.63 0.64 0.00 -0.40 -1.16 0.00 0.00 179.01 178.72 3hxj n ASP 225 N -4.61 0.50 0.00 1.42 5.68 -1.26 -4.87 116.55 113.41 3hxj n ASP 225 Ca 0.16 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 3hxj n ASP 225 Cb 0.26 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3hxj n ASP 225 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxj n GLY 226 N 0.69 0.79 3.72 6.12 0.00 -0.76 -4.92 105.19 110.83 3hxj n GLY 226 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3hxj n GLY 226 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 227 N -2.48 3.46 -0.21 2.61 2.01 -1.26 -4.06 115.64 115.72 3hxj s THR 227 Ca 0.00 1.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.98 3hxj s THR 227 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3hxj s THR 227 CO 0.00 0.09 0.09 -0.63 -0.69 0.00 0.00 174.62 173.48 3hxj s ILE 228 N 0.99 4.86 -0.14 1.82 1.09 0.11 -0.74 121.20 129.20 3hxj s ILE 228 Ca 0.62 -0.00 -0.02 0.00 -1.10 0.00 0.00 60.65 60.15 3hxj s ILE 228 Cb -0.35 -3.22 -0.02 0.00 -1.06 0.00 0.00 42.46 37.80 3hxj s ILE 228 CO 0.31 0.41 -0.08 -0.31 -0.10 0.00 0.00 174.94 175.17 3hxj s TYR 229 N 0.74 2.93 -0.02 3.97 1.51 0.17 0.68 117.35 127.34 3hxj s TYR 229 Ca 0.05 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 3hxj s TYR 229 Cb -0.13 -1.89 0.01 0.00 -0.11 0.00 0.00 41.96 39.84 3hxj s TYR 229 CO 0.02 -0.07 -0.01 0.14 -1.11 0.00 0.00 175.55 174.52 3hxj s VAL 230 N 0.25 0.19 0.60 0.71 -7.23 -0.60 0.48 120.40 114.81 3hxj s VAL 230 Ca -0.05 -0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.05 3hxj s VAL 230 Cb -0.15 -0.23 0.02 0.00 0.56 0.00 0.00 36.38 36.59 3hxj s VAL 230 CO 0.04 0.10 0.91 0.42 -0.31 0.00 0.00 175.10 176.26 3hxj s THR 231 N 0.49 3.39 0.01 5.32 -4.23 -1.26 -0.89 115.64 118.46 3hxj s THR 231 Ca -0.05 -0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 60.32 3hxj s THR 231 Cb -0.08 -3.36 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 3hxj s THR 231 CO -0.01 -0.36 0.08 -0.55 -0.54 0.00 0.00 174.62 173.24 3hxj s SER 232 N -4.34 0.09 0.05 3.99 0.15 -0.66 -4.90 113.70 108.07 3hxj s SER 232 Ca 0.55 -0.29 0.09 0.00 0.70 0.00 0.00 55.95 56.99 3hxj s SER 232 Cb -0.11 0.17 0.39 0.00 -1.71 0.00 0.00 66.02 64.76 3hxj s SER 232 CO 0.44 -0.33 1.27 0.18 1.20 0.00 0.00 173.24 176.00 3hxj n LEU 233 N 1.56 0.09 -0.27 3.45 7.99 -1.23 -1.16 117.00 127.44 3hxj n LEU 233 Ca -0.23 0.53 0.09 0.00 -0.01 0.00 0.00 56.01 56.39 3hxj n LEU 233 Cb 0.55 -0.53 0.40 0.00 -0.11 0.00 0.00 43.42 43.73 3hxj n LEU 233 CO 0.21 -0.46 0.78 -0.90 -1.51 0.00 0.00 177.39 175.50 3hxj n ASP 234 N -1.62 0.80 0.00 -1.43 5.75 -1.26 -4.34 116.55 114.45 3hxj n ASP 234 Ca 0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 3hxj n ASP 234 Cb 0.08 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3hxj n ASP 234 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 235 N 0.92 0.88 3.85 6.12 0.00 -0.31 -4.73 105.19 111.92 3hxj n GLY 235 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3hxj n GLY 235 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxj s HIS 236 N -2.86 3.22 -0.20 1.61 3.76 -1.25 -1.20 115.29 118.37 3hxj s HIS 236 Ca 0.00 -0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 54.83 3hxj s HIS 236 Cb 0.00 -1.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.18 3hxj s HIS 236 CO 0.00 0.51 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.21 3hxj s LEU 237 N -3.56 3.14 -0.04 0.89 2.96 -0.19 -1.66 118.68 120.22 3hxj s LEU 237 Ca 0.33 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3hxj s LEU 237 Cb -0.09 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3hxj s LEU 237 CO 0.25 0.06 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.97 3hxj s TYR 238 N 1.02 2.93 -0.14 5.38 2.02 -0.07 -0.41 117.35 128.08 3hxj s TYR 238 Ca 0.01 0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.72 3hxj s TYR 238 Cb -0.14 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3hxj s TYR 238 CO 0.01 0.35 -0.14 0.00 -1.57 0.00 0.00 175.55 174.21 3hxj s ALA 239 N -0.89 2.58 -0.07 3.71 0.00 -0.33 -1.56 121.76 125.20 3hxj s ALA 239 Ca 0.14 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.21 3hxj s ALA 239 Cb -0.11 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 3hxj s ALA 239 CO 0.04 0.17 -0.21 0.42 0.00 0.00 0.00 175.76 176.18 3hxj s ILE 240 N 0.49 2.40 0.64 0.00 -1.09 0.21 -0.57 121.20 123.28 3hxj s ILE 240 Ca -0.10 -0.94 -0.12 0.00 -2.23 0.00 0.00 60.65 57.27 3hxj s ILE 240 Cb -0.16 -1.91 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 3hxj s ILE 240 CO 0.04 0.57 1.04 0.20 -1.23 0.00 0.00 174.94 175.56 3hxj s ASN 241 N -0.15 5.86 0.52 3.58 0.02 0.65 -0.71 114.94 124.71 3hxj s ASN 241 Ca -0.03 1.56 0.29 0.00 -1.02 0.00 0.00 52.86 53.66 3hxj s ASN 241 Cb -0.14 -2.49 1.42 0.00 0.02 0.00 0.00 41.25 40.06 3hxj s ASN 241 CO 0.04 -1.12 1.90 -0.65 0.02 0.00 0.00 177.10 177.29 3hxj h PRO 242 N -0.28 0.05 -0.19 -0.60 0.11 -1.88 0.94 132.00 130.16 3hxj h PRO 242 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hxj h PRO 242 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hxj h PRO 242 CO 0.59 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3hxj n ASP 243 N -4.32 1.15 0.00 -2.05 5.68 -1.26 -4.90 116.55 110.85 3hxj n ASP 243 Ca 0.17 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 3hxj n ASP 243 Cb 0.88 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 3hxj n ASP 243 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxj n GLY 244 N 0.89 2.83 3.78 6.12 0.00 0.33 -4.99 105.19 114.15 3hxj n GLY 244 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3hxj n GLY 244 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 245 N -2.16 3.38 -0.04 2.61 -4.23 -1.26 -4.71 115.64 109.23 3hxj s THR 245 Ca 0.00 0.69 -0.30 0.00 -1.18 0.00 0.00 61.69 60.90 3hxj s THR 245 Cb 0.00 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.60 3hxj s THR 245 CO 0.00 -0.35 1.09 -0.70 -0.54 0.00 0.00 174.62 174.12 3hxj s GLU 246 N -3.91 4.43 -0.06 3.99 2.12 -1.26 -0.26 118.70 123.76 3hxj s GLU 246 Ca 0.67 1.54 -0.18 0.00 0.36 0.00 0.00 54.97 57.36 3hxj s GLU 246 Cb -0.20 -3.50 -0.30 0.00 0.26 0.00 0.00 34.13 30.39 3hxj s GLU 246 CO 0.37 -0.29 0.76 -0.22 -0.54 0.00 0.00 175.26 175.34 3hxj h LYS 247 N 7.10 0.32 -1.54 4.30 3.64 -1.15 -3.45 116.57 125.78 3hxj h LYS 247 Ca -0.36 -0.55 0.38 0.00 -1.27 0.00 0.00 60.65 58.85 3hxj h LYS 247 Cb 1.18 0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 33.10 3hxj h LYS 247 CO 0.83 1.26 0.96 1.67 -2.27 0.00 0.00 179.45 181.90 3hxj s TRP 248 N -2.49 -0.00 0.01 1.91 1.48 -1.17 -5.01 118.94 113.67 3hxj s TRP 248 Ca -0.16 -0.04 -0.07 0.00 -1.06 0.00 0.00 56.10 54.78 3hxj s TRP 248 Cb 0.03 0.52 -0.00 0.00 -1.16 0.00 0.00 33.47 32.86 3hxj s TRP 248 CO 0.83 -0.10 0.13 -0.98 -4.06 0.00 0.00 176.95 172.77 3hxj s ARG 249 N -2.08 0.51 -0.19 3.25 1.70 -1.26 -1.19 118.95 119.68 3hxj s ARG 249 Ca 0.22 -0.46 -0.00 0.00 -0.47 0.00 0.00 55.73 55.01 3hxj s ARG 249 Cb 0.04 0.21 0.05 0.00 -0.57 0.00 0.00 34.95 34.68 3hxj s ARG 249 CO -0.04 -0.12 -0.04 0.12 -1.08 0.00 0.00 175.30 174.13 3hxj s PHE 250 N -1.61 1.83 0.21 5.89 5.36 0.46 -4.94 117.98 125.18 3hxj s PHE 250 Ca -0.13 -1.26 -0.27 0.00 -0.96 0.00 0.00 56.93 54.31 3hxj s PHE 250 Cb -0.07 -1.36 -0.09 0.00 -0.34 0.00 0.00 43.02 41.17 3hxj s PHE 250 CO 0.00 -0.66 0.87 0.21 -1.46 0.00 0.00 175.22 174.18 3hxj s LYS 251 N 1.59 4.70 0.00 10.12 2.20 -1.26 -1.03 119.74 136.06 3hxj s LYS 251 Ca -0.01 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 3hxj s LYS 251 Cb -0.16 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 3hxj s LYS 251 CO -0.07 0.52 0.00 0.25 -0.36 0.00 0.00 175.35 175.69 3hxj n THR 252 N 1.44 0.00 -0.80 3.43 -2.24 -0.34 -4.98 114.28 110.79 3hxj n THR 252 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3hxj n THR 252 Cb 0.48 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3hxj n THR 252 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxj n GLY 253 N 2.39 0.84 3.06 3.38 0.00 -1.24 -5.01 105.19 108.60 3hxj n GLY 253 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3hxj n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hxj s LYS 254 N -0.20 1.80 0.29 1.61 -0.14 -1.26 -4.96 119.74 116.88 3hxj s LYS 254 Ca 0.00 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 3hxj s LYS 254 Cb 0.00 -1.49 -0.13 0.00 -1.68 0.00 0.00 37.83 34.54 3hxj s LYS 254 CO 0.00 0.08 1.36 2.89 -0.76 0.00 0.00 175.35 178.92 3hxj n ARG 255 N 3.67 2.10 -4.05 1.68 1.85 -1.26 -3.94 116.66 116.71 3hxj n ARG 255 Ca -0.22 0.74 -0.35 0.00 -1.00 0.00 0.00 57.85 57.03 3hxj n ARG 255 Cb 0.52 -2.37 -0.12 0.00 -1.05 0.00 0.00 32.46 29.44 3hxj n ARG 255 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3hxj s ILE 256 N -0.51 4.06 -1.09 8.89 -1.09 -1.10 -1.57 121.20 128.80 3hxj s ILE 256 Ca 0.62 -0.27 0.10 0.00 -2.23 0.00 0.00 60.65 58.87 3hxj s ILE 256 Cb -0.61 -2.84 0.21 0.00 -1.58 0.00 0.00 42.46 37.64 3hxj s ILE 256 CO 0.55 0.42 1.07 -0.62 -1.23 0.00 0.00 174.94 175.14 3hxj n GLU 257 N 4.22 1.87 -4.31 2.79 1.02 -1.26 -3.57 120.64 121.41 3hxj n GLU 257 Ca -0.17 -1.66 -0.17 0.00 -0.02 0.00 0.00 57.16 55.15 3hxj n GLU 257 Cb 0.52 -1.24 -0.10 0.00 -0.02 0.00 0.00 31.44 30.60 3hxj n GLU 257 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hxj s SER 258 N -0.96 2.06 0.58 1.62 1.04 -1.26 -4.90 113.70 111.88 3hxj s SER 258 Ca 0.18 -1.09 -0.15 0.00 0.48 0.00 0.00 55.95 55.38 3hxj s SER 258 Cb 0.11 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 3hxj s SER 258 CO 0.14 -0.35 1.03 -0.44 0.98 0.00 0.00 173.24 174.60 3hxj s SER 259 N -3.26 6.13 0.54 7.02 0.01 -1.26 -4.70 113.70 118.17 3hxj s SER 259 Ca 0.22 1.64 -0.04 0.00 1.31 0.00 0.00 55.95 59.08 3hxj s SER 259 Cb 0.03 -2.51 -0.00 0.00 0.21 0.00 0.00 66.02 63.74 3hxj s SER 259 CO 0.05 -0.93 0.83 -2.16 0.41 0.00 0.00 173.24 171.44 3hxj s PRO 260 N -4.34 3.09 0.03 12.44 0.04 -1.26 -4.48 135.00 140.52 3hxj s PRO 260 Ca 0.60 -0.06 0.04 0.00 0.04 0.00 0.00 61.00 61.62 3hxj s PRO 260 Cb -0.13 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 3hxj s PRO 260 CO 0.39 -0.49 -0.13 0.54 0.04 0.00 0.00 177.00 177.35 3hxj s VAL 261 N -2.84 0.99 -0.21 -0.36 0.11 0.12 -4.75 120.40 113.47 3hxj s VAL 261 Ca 0.51 -0.89 -0.09 0.00 -2.93 0.00 0.00 61.98 58.58 3hxj s VAL 261 Cb -0.10 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 3hxj s VAL 261 CO 0.44 0.01 0.11 -0.63 -3.33 0.00 0.00 175.10 171.70 3hxj s ILE 262 N -0.77 5.12 0.93 7.04 -1.09 -1.26 -0.61 121.20 130.55 3hxj s ILE 262 Ca 0.01 0.09 -0.13 0.00 -2.23 0.00 0.00 60.65 58.38 3hxj s ILE 262 Cb -0.07 -3.35 0.21 0.00 -1.58 0.00 0.00 42.46 37.67 3hxj s ILE 262 CO 0.01 0.41 1.26 0.61 -1.23 0.00 0.00 174.94 176.00 3hxj n GLY 263 N 3.88 -1.08 0.04 6.18 0.00 -0.06 -4.92 105.19 109.22 3hxj n GLY 263 Ca -0.16 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.18 3hxj n GLY 263 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hxj n ASN 264 N -3.67 0.22 -1.29 1.61 3.02 -1.26 -2.08 115.26 111.81 3hxj n ASN 264 Ca 0.17 0.55 0.09 0.00 -0.03 0.00 0.00 54.58 55.35 3hxj n ASN 264 Cb 0.58 -0.60 0.30 0.00 -0.61 0.00 0.00 39.78 39.45 3hxj n ASN 264 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hxj n THR 265 N -1.74 1.76 -0.83 3.41 -2.24 -1.26 -4.92 114.28 108.46 3hxj n THR 265 Ca 0.03 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 3hxj n THR 265 Cb 0.21 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3hxj n THR 265 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hxj n ASP 266 N 0.73 -0.85 -4.76 3.42 8.00 -0.88 -4.97 116.55 117.23 3hxj n ASP 266 Ca 0.22 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 3hxj n ASP 266 Cb 0.81 -1.18 0.02 0.00 -0.02 0.00 0.00 41.12 40.74 3hxj n ASP 266 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hxj s THR 267 N -2.52 2.68 -0.22 -3.53 2.01 -1.26 -4.41 115.64 108.38 3hxj s THR 267 Ca 0.00 0.49 -0.04 0.00 0.31 0.00 0.00 61.69 62.45 3hxj s THR 267 Cb 0.00 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 3hxj s THR 267 CO 0.00 -0.02 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.24 3hxj s ILE 268 N -1.48 3.39 0.09 1.82 1.09 0.19 -0.89 121.20 125.43 3hxj s ILE 268 Ca 0.69 -0.50 0.06 0.00 -1.10 0.00 0.00 60.65 59.80 3hxj s ILE 268 Cb -0.33 -2.55 -0.04 0.00 -1.06 0.00 0.00 42.46 38.48 3hxj s ILE 268 CO 0.39 0.41 -0.08 -0.31 -0.10 0.00 0.00 174.94 175.24 3hxj s TYR 269 N 1.48 2.80 0.21 3.97 1.51 0.22 -0.40 117.35 127.14 3hxj s TYR 269 Ca 0.06 -0.12 -0.23 0.00 -1.01 0.00 0.00 57.07 55.76 3hxj s TYR 269 Cb -0.14 -1.46 0.05 0.00 -0.11 0.00 0.00 41.96 40.29 3hxj s TYR 269 CO -0.03 0.43 0.89 -0.59 -1.11 0.00 0.00 175.55 175.14 3hxj s PHE 270 N -1.22 -0.11 -0.04 2.71 -0.71 -0.99 -0.70 117.98 116.92 3hxj s PHE 270 Ca 0.22 -0.28 -0.03 0.00 -1.04 0.00 0.00 56.93 55.80 3hxj s PHE 270 Cb -0.11 0.68 0.02 0.00 -1.21 0.00 0.00 43.02 42.39 3hxj s PHE 270 CO 0.14 -1.00 0.10 0.20 -1.34 0.00 0.00 175.22 173.32 3hxj s GLY 271 N -2.99 -0.05 0.90 1.99 0.00 -1.26 -1.02 107.32 104.89 3hxj s GLY 271 Ca 0.13 0.36 -0.13 0.00 0.00 0.00 0.00 44.72 45.07 3hxj s GLY 271 CO 0.05 0.43 1.19 -1.35 0.00 0.00 0.00 173.10 173.41 3hxj s SER 272 N 0.37 3.67 0.40 1.64 1.04 -0.61 -4.53 113.70 115.68 3hxj s SER 272 Ca -0.03 0.73 0.13 0.00 0.48 0.00 0.00 55.95 57.26 3hxj s SER 272 Cb -0.04 -1.14 0.96 0.00 0.10 0.00 0.00 66.02 65.90 3hxj s SER 272 CO -0.01 -2.42 1.89 0.10 0.98 0.00 0.00 173.24 173.78 3hxj h TYR 273 N -1.42 0.63 0.00 5.02 -0.00 -1.51 -1.54 116.97 118.15 3hxj h TYR 273 Ca -0.47 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 3hxj h TYR 273 Cb 1.31 -0.20 0.00 0.00 -0.00 0.00 0.00 36.73 37.84 3hxj h TYR 273 CO -0.14 0.23 0.00 -0.40 -0.00 0.00 0.00 178.16 177.85 3hxj n ASP 274 N -4.51 0.00 0.00 0.10 5.75 -1.26 -1.70 116.55 114.93 3hxj n ASP 274 Ca 0.16 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 3hxj n ASP 274 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3hxj n ASP 274 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 275 N 0.60 0.55 3.61 6.12 0.00 -0.58 -3.92 105.19 111.57 3hxj n GLY 275 Ca 0.06 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 3hxj n GLY 275 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hxj s HIS 276 N -2.00 3.04 0.10 1.61 5.04 -1.25 -2.58 115.29 119.25 3hxj s HIS 276 Ca 0.00 0.86 -0.20 0.00 -1.54 0.00 0.00 55.06 54.18 3hxj s HIS 276 Cb 0.00 -3.81 -0.07 0.00 0.04 0.00 0.00 32.58 28.74 3hxj s HIS 276 CO 0.00 -0.90 0.61 -0.51 -2.34 0.00 0.00 174.74 171.60 3hxj s LEU 277 N 3.71 4.52 0.03 8.88 1.02 0.05 -1.57 118.68 135.31 3hxj s LEU 277 Ca 0.42 1.32 0.04 0.00 0.02 0.00 0.00 54.13 55.93 3hxj s LEU 277 Cb -0.11 -3.00 -0.02 0.00 0.02 0.00 0.00 46.19 43.08 3hxj s LEU 277 CO 0.20 0.25 -0.12 -0.31 0.02 0.00 0.00 176.35 176.39 3hxj s TYR 278 N -1.15 1.09 -0.19 0.29 1.51 -0.19 -0.78 117.35 117.93 3hxj s TYR 278 Ca 0.31 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 3hxj s TYR 278 Cb -0.20 -0.66 0.04 0.00 -0.11 0.00 0.00 41.96 41.03 3hxj s TYR 278 CO 0.20 0.01 -0.14 0.00 -1.11 0.00 0.00 175.55 174.52 3hxj s ALA 279 N -0.78 2.13 -0.09 3.71 0.00 0.25 -2.36 121.76 124.62 3hxj s ALA 279 Ca 0.01 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.77 3hxj s ALA 279 Cb -0.07 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 3hxj s ALA 279 CO 0.01 -0.67 -0.16 0.42 0.00 0.00 0.00 175.76 175.36 3hxj s ILE 280 N 1.35 2.79 0.66 0.00 -1.09 0.47 0.12 121.20 125.49 3hxj s ILE 280 Ca 0.01 -0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 57.52 3hxj s ILE 280 Cb -0.15 -2.12 -0.01 0.00 -1.58 0.00 0.00 42.46 38.60 3hxj s ILE 280 CO -0.09 0.55 1.06 0.20 -1.23 0.00 0.00 174.94 175.42 3hxj s ASN 281 N -0.01 5.54 0.17 3.58 0.02 0.62 -0.64 114.94 124.24 3hxj s ASN 281 Ca -0.05 1.67 0.10 0.00 -1.02 0.00 0.00 52.86 53.56 3hxj s ASN 281 Cb -0.14 -2.51 0.53 0.00 0.02 0.00 0.00 41.25 39.14 3hxj s ASN 281 CO 0.04 -1.33 1.23 -2.65 0.02 0.00 0.00 177.10 174.42 3hxj n PRO 282 N -2.75 0.06 -0.27 -0.60 -0.02 -1.26 -0.86 135.00 129.30 3hxj n PRO 282 Ca 0.08 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 3hxj n PRO 282 Cb 0.53 -1.82 0.27 0.00 -0.02 0.00 0.00 33.50 32.47 3hxj n PRO 282 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hxj n ASP 283 N -1.82 3.53 0.00 2.55 3.85 -1.26 -4.93 116.55 118.47 3hxj n ASP 283 Ca -0.01 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 3hxj n ASP 283 Cb 0.12 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 3hxj n ASP 283 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hxj n GLY 284 N 1.55 1.07 3.83 6.12 0.00 -0.04 -5.01 105.19 112.71 3hxj n GLY 284 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3hxj n GLY 284 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hxj s THR 285 N -3.02 4.68 0.17 2.61 -1.32 -1.25 -4.84 115.64 112.67 3hxj s THR 285 Ca 0.00 1.05 -0.30 0.00 -1.21 0.00 0.00 61.69 61.23 3hxj s THR 285 Cb 0.00 -3.76 -0.08 0.00 -1.51 0.00 0.00 72.50 67.16 3hxj s THR 285 CO 0.00 0.10 1.11 -0.70 -2.21 0.00 0.00 174.62 172.93 3hxj s GLU 286 N -2.26 4.58 -0.21 7.08 2.12 -1.26 -0.27 118.70 128.47 3hxj s GLU 286 Ca 0.45 1.74 -0.16 0.00 0.36 0.00 0.00 54.97 57.35 3hxj s GLU 286 Cb -0.14 -3.28 -0.19 0.00 0.26 0.00 0.00 34.13 30.78 3hxj s GLU 286 CO 0.20 0.05 0.12 1.17 -0.54 0.00 0.00 175.26 176.25 3hxj n LYS 287 N 2.43 0.61 -3.75 4.30 4.81 0.12 -4.81 118.16 121.86 3hxj n LYS 287 Ca 0.03 0.44 -0.03 0.00 -0.87 0.00 0.00 58.31 57.88 3hxj n LYS 287 Cb 0.46 -1.68 -0.01 0.00 0.02 0.00 0.00 35.03 33.81 3hxj n LYS 287 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 3hxj s TRP 288 N -2.43 -0.11 -0.01 5.64 1.48 -1.09 -4.78 118.94 117.62 3hxj s TRP 288 Ca -0.30 -0.18 -0.16 0.00 -1.06 0.00 0.00 56.10 54.39 3hxj s TRP 288 Cb 0.08 0.64 0.03 0.00 -1.16 0.00 0.00 33.47 33.05 3hxj s TRP 288 CO 0.61 -0.80 0.35 0.54 -4.06 0.00 0.00 176.95 173.59 3hxj s ASN 289 N -2.96 -0.23 -0.12 -2.66 2.20 0.10 -0.58 114.94 110.68 3hxj s ASN 289 Ca 0.13 0.13 -0.05 0.00 -0.94 0.00 0.00 52.86 52.12 3hxj s ASN 289 Cb -0.01 0.34 0.05 0.00 -2.00 0.00 0.00 41.25 39.63 3hxj s ASN 289 CO 0.02 -0.48 0.26 0.12 -2.94 0.00 0.00 177.10 174.08 3hxj s PHE 290 N -1.41 -0.37 -0.29 1.54 5.36 0.04 -0.09 117.98 122.76 3hxj s PHE 290 Ca -0.13 0.87 -0.22 0.00 -0.96 0.00 0.00 56.93 56.49 3hxj s PHE 290 Cb -0.04 0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.65 3hxj s PHE 290 CO 0.04 -0.28 0.72 -1.21 -1.46 0.00 0.00 175.22 173.04 3hxj s GLU 291 N 1.68 3.99 0.20 10.12 2.02 -1.26 -0.77 118.70 134.68 3hxj s GLU 291 Ca -0.06 0.54 0.17 0.00 0.02 0.00 0.00 54.97 55.65 3hxj s GLU 291 Cb -0.11 -3.71 0.01 0.00 0.10 0.00 0.00 34.13 30.42 3hxj s GLU 291 CO -0.09 -0.59 1.19 1.79 0.02 0.00 0.00 175.26 177.58 3hxj h THR 292 N 5.54 0.55 0.00 3.63 1.35 -1.79 -3.48 112.91 118.71 3hxj h THR 292 Ca -0.25 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 3hxj h THR 292 Cb 1.11 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3hxj h THR 292 CO 0.84 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 177.04 3hxj n GLY 293 N 1.27 0.84 3.14 5.82 0.00 -1.26 -4.99 105.19 110.01 3hxj n GLY 293 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3hxj n GLY 293 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hxj s SER 294 N -2.75 3.71 0.38 1.61 0.01 -1.25 -5.01 113.70 110.40 3hxj s SER 294 Ca 0.00 -0.81 -0.27 0.00 1.31 0.00 0.00 55.95 56.17 3hxj s SER 294 Cb 0.00 -1.55 -0.11 0.00 0.21 0.00 0.00 66.02 64.57 3hxj s SER 294 CO 0.00 -0.06 1.40 0.79 0.41 0.00 0.00 173.24 175.78 3hxj n TRP 295 N 4.61 2.65 -4.57 2.43 7.02 -1.25 -3.37 117.44 124.96 3hxj n TRP 295 Ca -0.19 0.48 -0.23 0.00 -1.02 0.00 0.00 57.50 56.55 3hxj n TRP 295 Cb 0.48 -2.47 -0.14 0.00 -2.42 0.00 0.00 31.31 26.76 3hxj n TRP 295 CO 0.00 0.00 0.00 0.96 -2.02 0.00 0.00 177.69 176.63 3hxj s ILE 296 N -1.13 1.38 0.00 -0.99 -4.36 -0.69 -1.47 121.20 113.95 3hxj s ILE 296 Ca 0.56 -1.02 0.00 0.00 -0.26 0.00 0.00 60.65 59.93 3hxj s ILE 296 Cb -0.50 -1.21 0.00 0.00 1.25 0.00 0.00 42.46 42.00 3hxj s ILE 296 CO 0.62 0.17 0.00 0.00 0.24 0.00 0.00 174.94 175.97 3hxj n ILE 297 N 2.05 0.00 -2.28 8.37 0.13 -1.26 -4.47 119.36 121.90 3hxj n ILE 297 Ca -0.17 0.00 -0.37 0.00 -1.10 0.00 0.00 62.75 61.12 3hxj n ILE 297 Cb 0.54 -0.28 -0.01 0.00 -0.84 0.00 0.00 39.64 39.05 3hxj n ILE 297 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hxj s ALA 298 N -1.32 2.93 0.36 1.51 0.00 -1.26 -4.61 121.76 119.37 3hxj s ALA 298 Ca 0.00 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 52.61 3hxj s ALA 298 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 3hxj s ALA 298 CO 0.00 -0.64 0.95 0.95 0.00 0.00 0.00 175.76 177.03 3hxj s THR 299 N -1.60 4.22 0.77 0.00 -4.23 -1.26 -4.78 115.64 108.76 3hxj s THR 299 Ca 0.65 1.69 -0.14 0.00 -1.18 0.00 0.00 61.69 62.71 3hxj s THR 299 Cb -0.27 -3.87 0.06 0.00 1.34 0.00 0.00 72.50 69.77 3hxj s THR 299 CO 0.32 -0.00 1.19 -2.16 -0.54 0.00 0.00 174.62 173.44 3hxj s PRO 300 N -2.41 1.90 0.13 3.99 0.04 -1.26 -4.81 135.00 132.58 3hxj s PRO 300 Ca 0.54 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.37 3hxj s PRO 300 Cb -0.16 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3hxj s PRO 300 CO 0.21 -2.01 -0.18 0.14 0.04 0.00 0.00 177.00 175.21 3hxj s VAL 301 N -2.14 1.66 -0.02 -0.36 -7.23 -0.60 -4.48 120.40 107.23 3hxj s VAL 301 Ca 0.73 -1.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.18 3hxj s VAL 301 Cb -0.28 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.00 3hxj s VAL 301 CO 0.48 -0.26 -0.09 -0.51 -0.31 0.00 0.00 175.10 174.41 3hxj s ILE 302 N -1.78 0.76 0.60 -0.62 2.07 -0.24 -0.09 121.20 121.89 3hxj s ILE 302 Ca 0.11 -0.35 0.04 0.00 -1.41 0.00 0.00 60.65 59.04 3hxj s ILE 302 Cb -0.07 -0.68 0.08 0.00 0.13 0.00 0.00 42.46 41.92 3hxj s ILE 302 CO 0.05 0.24 0.83 1.51 -1.91 0.00 0.00 174.94 175.66 3hxj s ASP 303 N 0.17 4.94 0.41 4.50 1.47 -0.15 -2.03 116.67 125.97 3hxj s ASP 303 Ca -0.03 -0.45 0.20 0.00 1.18 0.00 0.00 52.55 53.45 3hxj s ASP 303 Cb -0.08 -0.17 1.14 0.00 -0.34 0.00 0.00 42.92 43.47 3hxj s ASP 303 CO 0.00 -1.41 1.77 1.05 0.68 0.00 0.00 175.17 177.26 3hxj h GLU 304 N -0.03 0.35 0.00 2.11 4.11 -1.95 0.29 114.58 119.45 3hxj h GLU 304 Ca -0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.05 3hxj h GLU 304 Cb 1.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3hxj h GLU 304 CO 0.43 0.23 0.00 0.09 0.07 0.00 0.00 179.01 179.83 3hxj n ASN 305 N -4.61 0.06 0.00 3.06 5.03 -1.26 -4.88 115.26 112.66 3hxj n ASN 305 Ca 0.26 0.51 0.00 0.00 0.87 0.00 0.00 54.58 56.22 3hxj n ASN 305 Cb 0.92 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 3hxj n ASN 305 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hxj n GLY 306 N 1.25 0.71 3.75 7.41 0.00 0.10 -4.99 105.19 113.42 3hxj n GLY 306 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3hxj n GLY 306 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 307 N -2.30 3.40 -0.09 2.61 2.01 -1.25 -4.64 115.64 115.37 3hxj s THR 307 Ca 0.00 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.29 3hxj s THR 307 Cb 0.00 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 3hxj s THR 307 CO 0.00 0.25 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.44 3hxj s ILE 308 N -0.55 3.34 -0.11 1.82 1.01 -0.85 -0.98 121.20 124.88 3hxj s ILE 308 Ca 0.50 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.58 3hxj s ILE 308 Cb -0.34 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 3hxj s ILE 308 CO 0.40 0.56 -0.20 -0.31 0.00 0.00 0.00 174.94 175.40 3hxj s TYR 309 N -0.27 2.66 -0.37 3.97 2.02 0.87 0.17 117.35 126.40 3hxj s TYR 309 Ca 0.03 -0.90 -0.02 0.00 -0.37 0.00 0.00 57.07 55.80 3hxj s TYR 309 Cb -0.13 -1.77 0.09 0.00 -0.40 0.00 0.00 41.96 39.76 3hxj s TYR 309 CO 0.03 -0.35 0.14 -0.06 -1.57 0.00 0.00 175.55 173.74 3hxj s PHE 310 N 0.37 3.53 0.27 2.71 0.40 0.12 -1.56 117.98 123.82 3hxj s PHE 310 Ca -0.15 -2.34 -0.29 0.00 -0.60 0.00 0.00 56.93 53.55 3hxj s PHE 310 Cb -0.17 -2.92 -0.09 0.00 0.51 0.00 0.00 43.02 40.35 3hxj s PHE 310 CO 0.07 -0.93 0.98 0.20 0.70 0.00 0.00 175.22 176.25 3hxj s GLY 311 N 1.58 3.02 0.38 4.36 0.00 -1.26 -0.27 107.32 115.13 3hxj s GLY 311 Ca 0.05 0.66 0.08 0.00 0.00 0.00 0.00 44.72 45.51 3hxj s GLY 311 CO -0.04 1.21 0.31 -0.51 0.00 0.00 0.00 173.10 174.07 3hxj s THR 312 N -1.29 2.98 0.27 0.90 -4.23 0.21 -4.52 115.64 109.97 3hxj s THR 312 Ca 0.44 -1.41 -0.00 0.00 -1.18 0.00 0.00 61.69 59.54 3hxj s THR 312 Cb -0.26 -3.06 0.09 0.00 1.34 0.00 0.00 72.50 70.62 3hxj s THR 312 CO 0.32 -0.08 1.74 0.03 -0.54 0.00 0.00 174.62 176.09 3hxj h ARG 313 N 1.19 0.66 -0.58 3.99 3.08 -1.56 -3.11 114.38 118.04 3hxj h ARG 313 Ca -0.43 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3hxj h ARG 313 Cb 1.26 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3hxj h ARG 313 CO 0.59 0.75 0.00 0.27 -1.07 0.00 0.00 179.97 180.52 3hxj n ASN 314 N -4.18 0.58 0.00 7.04 0.23 -1.26 -4.85 115.26 112.82 3hxj n ASN 314 Ca 0.01 -1.69 0.00 0.00 -0.53 0.00 0.00 54.58 52.37 3hxj n ASN 314 Cb 0.34 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 3hxj n ASN 314 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hxj n GLY 315 N 0.16 0.77 2.04 4.83 0.00 -1.18 -5.06 105.19 106.76 3hxj n GLY 315 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3hxj n GLY 315 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hxj n LYS 316 N -2.21 1.10 -3.65 1.61 2.85 -1.26 -4.65 118.16 111.95 3hxj n LYS 316 Ca 0.00 -1.88 -0.15 0.00 -1.05 0.00 0.00 58.31 55.23 3hxj n LYS 316 Cb 0.00 0.26 -0.08 0.00 -0.65 0.00 0.00 35.03 34.56 3hxj n LYS 316 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 3hxj s PHE 317 N -1.55 -0.42 -0.17 5.58 -0.12 -0.92 -0.61 117.98 119.76 3hxj s PHE 317 Ca 0.14 0.76 -0.04 0.00 -0.05 0.00 0.00 56.93 57.74 3hxj s PHE 317 Cb -0.01 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 3hxj s PHE 317 CO 0.09 -0.47 -0.04 0.71 -0.05 0.00 0.00 175.22 175.46 3hxj s TYR 318 N -1.08 3.01 -0.08 3.49 2.02 0.62 -1.82 117.35 123.49 3hxj s TYR 318 Ca -0.11 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.18 3hxj s TYR 318 Cb -0.03 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 3hxj s TYR 318 CO 0.06 -0.13 -0.02 0.00 -1.57 0.00 0.00 175.55 173.90 3hxj s ALA 319 N 0.57 3.19 -0.27 3.71 0.00 -0.16 0.10 121.76 128.90 3hxj s ALA 319 Ca -0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 3hxj s ALA 319 Cb -0.14 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.58 3hxj s ALA 319 CO 0.03 0.56 0.00 -0.51 0.00 0.00 0.00 175.76 175.84 3hxj s LEU 320 N -0.79 3.51 -0.06 0.00 1.43 0.13 -1.09 118.68 121.80 3hxj s LEU 320 Ca 0.12 -0.83 0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3hxj s LEU 320 Cb -0.11 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3hxj s LEU 320 CO 0.02 -0.16 -0.23 0.12 0.23 0.00 0.00 176.35 176.32 3hxj s PHE 321 N 1.39 2.48 0.00 0.29 2.19 0.12 -2.01 117.98 122.43 3hxj s PHE 321 Ca 0.01 -0.64 0.00 0.00 0.33 0.00 0.00 56.93 56.62 3hxj s PHE 321 Cb -0.17 -1.61 0.00 0.00 -1.31 0.00 0.00 43.02 39.93 3hxj s PHE 321 CO -0.01 -0.17 0.48 -1.71 1.83 0.00 0.00 175.22 175.64