#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxj n TRP 13 N 0.00 -1.98 0.25 5.58 7.02 -1.26 -4.86 117.44 122.19 3hxj n TRP 13 Ca 0.00 0.57 0.08 0.00 -1.02 0.00 0.00 57.50 57.13 3hxj n TRP 13 Cb 0.00 -3.81 0.63 0.00 -2.42 0.00 0.00 31.31 25.71 3hxj n TRP 13 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 3hxj h GLU 14 N -1.37 0.00 0.00 -0.99 4.11 -1.93 -1.16 114.58 113.24 3hxj h GLU 14 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3hxj h GLU 14 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3hxj h GLU 14 CO 0.57 0.05 0.00 0.27 0.07 0.00 0.00 179.01 179.97 3hxj h PHE 15 N 0.00 0.00 0.00 2.06 -5.15 -1.95 -3.32 116.94 108.58 3hxj h PHE 15 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3hxj h PHE 15 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.26 3hxj h PHE 15 CO 0.00 0.00 -0.62 1.47 -2.00 0.00 0.00 178.31 177.16 3hxj n LEU 16 N -2.33 0.00 -4.16 2.10 -0.00 -0.97 -5.04 117.00 106.60 3hxj n LEU 16 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.72 3hxj n LEU 16 Cb 0.21 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.46 3hxj n LEU 16 CO 0.19 0.00 -0.54 -0.63 -0.00 0.00 0.00 177.39 176.41 3hxj s ILE 17 N -1.31 1.86 -0.56 1.47 1.01 -0.48 -5.18 121.20 118.01 3hxj s ILE 17 Ca 0.00 -0.89 0.15 0.00 0.00 0.00 0.00 60.65 59.92 3hxj s ILE 17 Cb 0.00 -1.63 0.57 0.00 0.01 0.00 0.00 42.46 41.41 3hxj s ILE 17 CO 0.00 0.51 1.48 0.61 0.00 0.00 0.00 174.94 177.54 3hxj n GLY 18 N 3.76 3.34 2.34 6.18 0.00 -1.26 -4.31 105.19 115.25 3hxj n GLY 18 Ca -0.20 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3hxj n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hxj n SER 23 N 0.23 0.00 -4.79 1.61 7.64 -1.26 -5.09 113.62 111.96 3hxj n SER 23 Ca 0.21 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.73 3hxj n SER 23 Cb 0.84 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.97 3hxj n SER 23 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3hxj s SER 24 N 0.00 7.26 0.33 6.43 0.15 -1.26 -3.65 113.70 122.97 3hxj s SER 24 Ca 0.00 1.77 -0.28 0.00 0.70 0.00 0.00 55.95 58.14 3hxj s SER 24 Cb 0.00 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.66 3hxj s SER 24 CO 0.00 -0.09 1.23 -2.16 1.20 0.00 0.00 173.24 173.42 3hxj s PRO 25 N -2.17 4.36 -0.03 5.44 0.04 -1.26 -3.93 135.00 137.44 3hxj s PRO 25 Ca 0.51 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.66 3hxj s PRO 25 Cb -0.17 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 3hxj s PRO 25 CO 0.22 -0.12 -0.20 -1.50 0.04 0.00 0.00 177.00 175.44 3hxj s ILE 26 N -1.19 1.61 -0.14 0.56 1.10 0.13 -4.96 121.20 118.31 3hxj s ILE 26 Ca 0.49 -0.85 -0.29 0.00 -0.51 0.00 0.00 60.65 59.49 3hxj s ILE 26 Cb -0.36 -1.36 -0.01 0.00 0.15 0.00 0.00 42.46 40.88 3hxj s ILE 26 CO 0.48 0.46 1.09 -0.22 -2.11 0.00 0.00 174.94 174.63 3hxj s LEU 27 N -0.25 4.20 0.49 8.50 2.96 -1.26 -1.08 118.68 132.24 3hxj s LEU 27 Ca 0.02 1.56 -0.04 0.00 -0.22 0.00 0.00 54.13 55.45 3hxj s LEU 27 Cb -0.10 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 3hxj s LEU 27 CO 0.01 -0.58 0.78 0.00 -1.32 0.00 0.00 176.35 175.24 3hxj s ALA 28 N 2.61 3.44 0.45 5.97 0.00 0.03 -4.97 121.76 129.30 3hxj s ALA 28 Ca 0.49 -0.65 0.12 0.00 0.00 0.00 0.00 51.96 51.92 3hxj s ALA 28 Cb -0.19 -2.50 1.03 0.00 0.00 0.00 0.00 23.12 21.46 3hxj s ALA 28 CO 0.15 -0.44 2.07 0.87 0.00 0.00 0.00 175.76 178.40 3hxj h LYS 29 N 0.19 0.22 0.00 0.00 1.57 -1.88 -2.00 116.57 114.66 3hxj h LYS 29 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3hxj h LYS 29 Cb 1.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3hxj h LYS 29 CO 0.61 0.20 0.00 0.27 -0.57 0.00 0.00 179.45 179.96 3hxj n ASN 30 N -4.45 0.00 0.00 0.86 2.04 -1.26 -1.24 115.26 111.20 3hxj n ASN 30 Ca -0.01 -1.30 0.00 0.00 -0.44 0.00 0.00 54.58 52.84 3hxj n ASN 30 Cb 0.12 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.37 3hxj n ASN 30 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hxj n GLY 31 N 0.61 0.74 3.87 4.83 0.00 -0.75 -0.71 105.19 113.78 3hxj n GLY 31 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3hxj n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 32 N -2.71 5.09 -0.31 2.61 -4.23 -1.26 -4.82 115.64 110.01 3hxj s THR 32 Ca 0.00 -0.53 -0.16 0.00 -1.18 0.00 0.00 61.69 59.82 3hxj s THR 32 Cb 0.00 -3.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.34 3hxj s THR 32 CO 0.00 0.13 0.42 -0.63 -0.54 0.00 0.00 174.62 174.00 3hxj s ILE 33 N -1.48 5.12 -0.17 2.99 -1.09 -1.26 -0.79 121.20 124.53 3hxj s ILE 33 Ca 0.33 0.42 -0.13 0.00 -2.23 0.00 0.00 60.65 59.04 3hxj s ILE 33 Cb -0.13 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 3hxj s ILE 33 CO 0.26 -0.01 0.25 -0.47 -1.23 0.00 0.00 174.94 173.75 3hxj s TYR 34 N 2.17 3.45 0.32 3.97 6.14 -0.24 -1.57 117.35 131.58 3hxj s TYR 34 Ca 0.16 0.53 -0.17 0.00 0.64 0.00 0.00 57.07 58.23 3hxj s TYR 34 Cb -0.16 -2.30 -0.09 0.00 0.42 0.00 0.00 41.96 39.83 3hxj s TYR 34 CO 0.11 0.25 0.77 -0.51 0.64 0.00 0.00 175.55 176.82 3hxj s LEU 35 N 0.43 4.11 0.00 6.97 1.43 0.27 -0.70 118.68 131.19 3hxj s LEU 35 Ca 0.14 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 3hxj s LEU 35 Cb -0.12 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.05 3hxj s LEU 35 CO 0.02 -0.18 0.07 0.61 0.23 0.00 0.00 176.35 177.11 3hxj n GLY 36 N -0.15 -0.78 0.00 -3.19 0.00 -1.24 -4.43 105.19 95.40 3hxj n GLY 36 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3hxj n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hxj n LYS 40 N -0.11 0.00 -3.18 1.61 4.81 -1.26 -4.32 118.16 115.70 3hxj n LYS 40 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 3hxj n LYS 40 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 3hxj n LYS 40 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3hxj n ASN 41 N 0.00 4.16 -0.09 3.14 2.85 -1.26 -4.87 115.26 119.20 3hxj n ASN 41 Ca 0.00 -3.57 -0.14 0.00 -0.11 0.00 0.00 54.58 50.76 3hxj n ASN 41 Cb 0.00 -0.62 -0.08 0.00 1.24 0.00 0.00 39.78 40.31 3hxj n ASN 41 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3hxj h LEU 42 N 3.61 0.00 -8.86 1.20 4.07 -1.96 -3.44 115.31 109.93 3hxj h LEU 42 Ca 0.17 -0.41 -0.40 0.00 0.08 0.00 0.00 57.88 57.32 3hxj h LEU 42 Cb 0.58 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.18 3hxj h LEU 42 CO 0.84 1.14 -0.55 -0.72 -1.08 0.00 0.00 178.44 178.07 3hxj s TYR 43 N -2.24 1.55 -0.09 1.13 -0.85 -1.26 -0.84 117.35 114.75 3hxj s TYR 43 Ca -0.21 -1.49 -0.04 0.00 -0.52 0.00 0.00 57.07 54.81 3hxj s TYR 43 Cb 0.03 -0.73 0.05 0.00 0.38 0.00 0.00 41.96 41.69 3hxj s TYR 43 CO 0.46 -0.69 0.19 0.00 -1.52 0.00 0.00 175.55 173.99 3hxj s ALA 44 N -3.68 -0.30 -0.52 9.51 0.00 0.91 -4.95 121.76 122.74 3hxj s ALA 44 Ca 0.38 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.81 3hxj s ALA 44 Cb 0.04 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.43 3hxj s ALA 44 CO 0.20 -0.46 0.87 -1.50 0.00 0.00 0.00 175.76 174.86 3hxj s ILE 45 N 2.00 4.51 0.83 0.00 2.07 -1.26 0.36 121.20 129.70 3hxj s ILE 45 Ca -0.01 0.27 -0.12 0.00 -1.41 0.00 0.00 60.65 59.38 3hxj s ILE 45 Cb -0.12 -4.45 0.10 0.00 0.13 0.00 0.00 42.46 38.11 3hxj s ILE 45 CO -0.07 -0.97 1.19 0.20 -1.91 0.00 0.00 174.94 173.38 3hxj s ASN 46 N 2.61 3.49 0.55 4.50 0.02 0.75 -4.87 114.94 121.99 3hxj s ASN 46 Ca 0.29 2.30 0.35 0.00 -1.02 0.00 0.00 52.86 54.79 3hxj s ASN 46 Cb -0.13 -2.58 1.58 0.00 0.02 0.00 0.00 41.25 40.14 3hxj s ASN 46 CO 0.20 -2.73 2.05 0.71 0.02 0.00 0.00 177.10 177.34 3hxj h THR 47 N -1.12 0.00 0.00 1.60 1.35 -1.96 0.18 112.91 112.96 3hxj h THR 47 Ca -0.45 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3hxj h THR 47 Cb 1.29 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3hxj h THR 47 CO 0.45 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.19 3hxj n ASP 48 N -3.01 0.00 0.00 5.36 9.92 -1.26 -4.86 116.55 122.70 3hxj n ASP 48 Ca -0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 3hxj n ASP 48 Cb 0.24 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 3hxj n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hxj n GLY 49 N 0.39 2.73 3.64 0.44 0.00 0.05 -5.03 105.19 107.42 3hxj n GLY 49 Ca 0.09 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3hxj n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hxj s SER 50 N 0.47 2.50 0.06 1.61 0.01 -1.26 -4.64 113.70 112.44 3hxj s SER 50 Ca 0.00 1.47 0.08 0.00 1.31 0.00 0.00 55.95 58.81 3hxj s SER 50 Cb 0.00 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 3hxj s SER 50 CO 0.00 -3.25 -0.19 0.68 0.41 0.00 0.00 173.24 170.89 3hxj s VAL 51 N -2.79 2.72 -0.19 3.43 -7.23 -1.26 -0.18 120.40 114.89 3hxj s VAL 51 Ca 0.66 -1.28 -0.01 0.00 -1.81 0.00 0.00 61.98 59.54 3hxj s VAL 51 Cb -0.20 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.59 3hxj s VAL 51 CO 0.59 0.29 -0.15 -0.75 -0.31 0.00 0.00 175.10 174.78 3hxj s LYS 52 N -1.55 3.13 0.08 4.82 2.20 0.16 -4.92 119.74 123.65 3hxj s LYS 52 Ca 0.15 -0.76 -0.15 0.00 -0.36 0.00 0.00 55.97 54.85 3hxj s LYS 52 Cb -0.10 -2.71 -0.06 0.00 -1.51 0.00 0.00 37.83 33.44 3hxj s LYS 52 CO 0.06 -0.19 0.50 -1.58 -0.36 0.00 0.00 175.35 173.78 3hxj s TRP 53 N 1.31 3.68 -0.92 4.03 0.52 -1.26 -0.06 118.94 126.24 3hxj s TRP 53 Ca 0.04 1.05 -0.00 0.00 0.02 0.00 0.00 56.10 57.22 3hxj s TRP 53 Cb -0.14 -2.35 0.31 0.00 -1.15 0.00 0.00 33.47 30.14 3hxj s TRP 53 CO -0.09 0.53 1.41 1.19 0.02 0.00 0.00 176.95 180.01 3hxj n PHE 54 N 1.27 2.90 0.00 -1.98 0.99 -0.02 -4.99 117.46 115.63 3hxj n PHE 54 Ca -0.09 -3.02 0.00 0.00 -0.00 0.00 0.00 57.45 54.34 3hxj n PHE 54 Cb 0.52 -1.01 0.00 0.00 -1.00 0.00 0.00 39.48 37.98 3hxj n PHE 54 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3hxj n PHE 55 N 0.54 0.00 -3.23 1.38 3.01 -1.26 -4.91 117.46 112.99 3hxj n PHE 55 Ca 0.34 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.38 3hxj n PHE 55 Cb 0.33 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.72 3hxj n PHE 55 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3hxj s GLU 59 N 4.80 3.28 -0.07 -1.08 -6.30 -1.24 -5.22 118.70 112.87 3hxj s GLU 59 Ca 0.00 -0.49 -0.00 0.00 -2.50 0.00 0.00 54.97 51.97 3hxj s GLU 59 Cb 0.00 -3.93 0.02 0.00 0.00 0.00 0.00 34.13 30.23 3hxj s GLU 59 CO 0.00 -0.86 -0.03 0.42 0.02 0.00 0.00 175.26 174.81 3hxj s ILE 60 N 2.43 0.59 -0.05 -3.70 1.01 -1.26 -0.76 121.20 119.46 3hxj s ILE 60 Ca 0.17 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.81 3hxj s ILE 60 Cb -0.16 -0.67 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 3hxj s ILE 60 CO 0.15 0.28 -0.18 0.27 0.00 0.00 0.00 174.94 175.47 3hxj s ILE 61 N 1.59 1.49 0.25 2.92 -0.00 -0.58 -4.96 121.20 121.91 3hxj s ILE 61 Ca 0.00 -0.74 -0.30 0.00 -0.00 0.00 0.00 60.65 59.62 3hxj s ILE 61 Cb -0.13 -1.29 -0.09 0.00 -0.00 0.00 0.00 42.46 40.95 3hxj s ILE 61 CO -0.04 0.43 1.14 -0.70 -0.00 0.00 0.00 174.94 175.77 3hxj s GLU 62 N 0.14 4.57 0.14 0.37 2.12 -1.26 0.09 118.70 124.87 3hxj s GLU 62 Ca -0.07 1.86 0.03 0.00 0.36 0.00 0.00 54.97 57.15 3hxj s GLU 62 Cb -0.13 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 3hxj s GLU 62 CO 0.03 0.08 0.23 0.00 -0.54 0.00 0.00 175.26 175.06 3hxj s ARG 64 N -3.08 2.08 1.07 0.00 6.06 -1.26 -4.43 118.95 119.38 3hxj s ARG 64 Ca 0.33 -1.88 -0.12 0.00 -2.50 0.00 0.00 55.73 51.56 3hxj s ARG 64 Cb -0.11 -3.62 0.23 0.00 0.06 0.00 0.00 34.95 31.51 3hxj s ARG 64 CO 0.27 -1.09 1.07 -2.14 -2.50 0.00 0.00 175.30 170.90 3hxj s PRO 65 N 1.05 -0.16 0.41 5.12 0.02 -1.26 -4.88 135.00 135.29 3hxj s PRO 65 Ca 0.09 0.96 0.06 0.00 0.02 0.00 0.00 61.00 62.13 3hxj s PRO 65 Cb -0.23 -1.63 -0.07 0.00 0.02 0.00 0.00 34.50 32.59 3hxj s PRO 65 CO -0.04 -3.25 0.02 -1.12 -0.33 0.00 0.00 177.00 172.28 3hxj s SER 66 N -2.73 3.69 -0.21 2.53 0.01 -0.22 -1.77 113.70 114.99 3hxj s SER 66 Ca 0.67 -1.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.52 3hxj s SER 66 Cb -0.23 -0.26 0.06 0.00 0.21 0.00 0.00 66.02 65.80 3hxj s SER 66 CO 0.62 -0.52 -0.01 -0.63 0.41 0.00 0.00 173.24 173.11 3hxj s ILE 67 N -2.81 0.97 0.00 1.44 1.01 -0.41 -0.55 121.20 120.85 3hxj s ILE 67 Ca 0.32 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3hxj s ILE 67 Cb 0.09 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.20 3hxj s ILE 67 CO 0.16 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3hxj n GLY 68 N 4.89 -0.35 0.00 6.18 0.00 -1.26 -4.09 105.19 110.55 3hxj n GLY 68 Ca -0.10 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3hxj n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hxj n LYS 69 N 0.00 -0.59 -0.24 1.61 -0.00 -1.26 -4.75 118.16 112.93 3hxj n LYS 69 Ca 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 58.31 57.92 3hxj n LYS 69 Cb 0.00 -0.83 0.08 0.00 -0.00 0.00 0.00 35.03 34.28 3hxj n LYS 69 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3hxj h ASP 70 N 0.00 0.66 0.00 -5.58 3.45 -2.04 -3.45 116.42 109.46 3hxj h ASP 70 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3hxj h ASP 70 Cb 0.18 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3hxj h ASP 70 CO 0.00 0.45 0.00 0.61 -1.57 0.00 0.00 179.24 178.73 3hxj n GLY 71 N -1.29 -0.22 3.72 2.75 0.00 -1.26 -5.11 105.19 103.77 3hxj n GLY 71 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3hxj n GLY 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hxj n THR 72 N 0.00 1.37 -4.20 2.61 -1.04 -1.26 -4.92 114.28 106.84 3hxj n THR 72 Ca 0.00 -0.34 -0.34 0.00 -2.04 0.00 0.00 64.05 61.33 3hxj n THR 72 Cb 0.00 -1.74 -0.08 0.00 -1.82 0.00 0.00 70.33 66.68 3hxj n THR 72 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3hxj s ILE 73 N -0.43 4.55 -0.07 12.58 -1.09 -1.26 -1.29 121.20 134.18 3hxj s ILE 73 Ca 0.62 -0.34 -0.25 0.00 -2.23 0.00 0.00 60.65 58.45 3hxj s ILE 73 Cb -0.55 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 3hxj s ILE 73 CO 0.54 0.46 0.77 -0.47 -1.23 0.00 0.00 174.94 175.01 3hxj s TYR 74 N -1.06 3.56 -0.10 3.97 6.14 -0.73 -4.76 117.35 124.37 3hxj s TYR 74 Ca 0.18 1.32 0.17 0.00 0.64 0.00 0.00 57.07 59.39 3hxj s TYR 74 Cb -0.12 -2.89 0.40 0.00 0.42 0.00 0.00 41.96 39.77 3hxj s TYR 74 CO 0.09 0.01 1.18 1.19 0.64 0.00 0.00 175.55 178.66 3hxj n PHE 75 N 4.06 0.00 -0.98 4.97 3.01 -1.26 -4.59 117.46 122.67 3hxj n PHE 75 Ca 0.01 -0.97 -0.03 0.00 1.01 0.00 0.00 57.45 57.47 3hxj n PHE 75 Cb 0.51 -0.19 0.02 0.00 -0.01 0.00 0.00 39.48 39.81 3hxj n PHE 75 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hxj n GLY 76 N -0.38 -1.46 0.25 1.37 0.00 -1.26 -4.96 105.19 98.75 3hxj n GLY 76 Ca 0.12 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.65 3hxj n GLY 76 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hxj h SER 77 N -0.42 0.00 -3.97 1.61 0.02 -1.98 -3.45 113.55 105.37 3hxj h SER 77 Ca -0.05 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.37 3hxj h SER 77 Cb 0.13 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.76 3hxj h SER 77 CO 0.03 0.10 0.62 -1.81 -1.14 0.00 0.00 176.83 174.63 3hxj s ASP 78 N -5.97 6.11 -0.06 3.07 1.11 -1.26 -4.61 116.67 115.07 3hxj s ASP 78 Ca 0.02 2.68 0.02 0.00 0.18 0.00 0.00 52.55 55.45 3hxj s ASP 78 Cb 0.09 -2.64 0.02 0.00 1.07 0.00 0.00 42.92 41.46 3hxj s ASP 78 CO 0.60 -0.99 -0.10 -0.54 1.18 0.00 0.00 175.17 175.32 3hxj s LYS 79 N -2.39 1.44 -0.11 8.23 -0.14 0.78 -4.97 119.74 122.59 3hxj s LYS 79 Ca 0.60 -0.32 0.02 0.00 -1.36 0.00 0.00 55.97 54.90 3hxj s LYS 79 Cb -0.38 -1.24 -0.01 0.00 -1.68 0.00 0.00 37.83 34.52 3hxj s LYS 79 CO 0.49 -0.00 -0.17 0.08 -0.76 0.00 0.00 175.35 174.98 3hxj s VAL 80 N 0.73 2.70 -0.04 3.17 1.01 -1.26 -0.40 120.40 126.31 3hxj s VAL 80 Ca -0.14 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3hxj s VAL 80 Cb -0.15 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 3hxj s VAL 80 CO 0.03 0.54 -0.16 -0.31 0.00 0.00 0.00 175.10 175.21 3hxj s TYR 81 N 0.18 1.58 -0.40 5.22 2.02 -0.49 0.03 117.35 125.50 3hxj s TYR 81 Ca -0.10 -0.46 -0.16 0.00 -0.37 0.00 0.00 57.07 55.98 3hxj s TYR 81 Cb -0.16 -1.08 0.01 0.00 -0.40 0.00 0.00 41.96 40.34 3hxj s TYR 81 CO 0.06 -0.17 0.38 0.00 -1.57 0.00 0.00 175.55 174.25 3hxj s ALA 82 N 0.12 3.46 -0.23 3.71 0.00 0.11 -1.15 121.76 127.78 3hxj s ALA 82 Ca -0.05 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 3hxj s ALA 82 Cb -0.11 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 3hxj s ALA 82 CO 0.02 -1.41 0.23 0.42 0.00 0.00 0.00 175.76 175.02 3hxj s ILE 83 N 2.00 5.31 -0.57 0.00 1.01 0.20 -1.53 121.20 127.62 3hxj s ILE 83 Ca 0.10 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.13 3hxj s ILE 83 Cb -0.17 -3.57 0.16 0.00 0.01 0.00 0.00 42.46 38.89 3hxj s ILE 83 CO 0.12 0.32 0.40 0.21 0.00 0.00 0.00 174.94 175.99 3hxj s ASN 84 N 1.02 3.63 0.00 3.58 3.84 0.06 -1.43 114.94 125.64 3hxj s ASN 84 Ca 0.11 -3.38 0.00 0.00 0.21 0.00 0.00 52.86 49.80 3hxj s ASN 84 Cb -0.14 -1.19 0.00 0.00 -0.55 0.00 0.00 41.25 39.37 3hxj s ASN 84 CO 0.05 -0.15 0.02 -0.81 -2.79 0.00 0.00 177.10 173.43 3hxj n PRO 85 N 2.54 0.00 -0.35 0.43 -0.04 -1.26 -3.64 135.00 132.68 3hxj n PRO 85 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3hxj n PRO 85 Cb 0.38 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 3hxj n PRO 85 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hxj n SER 101 N -0.02 0.00 -1.16 3.54 3.41 -1.26 -5.03 113.62 113.09 3hxj n SER 101 Ca 0.00 -0.29 0.08 0.00 -0.26 0.00 0.00 58.87 58.40 3hxj n SER 101 Cb 0.00 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.24 3hxj n SER 101 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hxj n ASP 102 N -0.22 4.29 -3.98 4.04 3.85 -1.26 -4.32 116.55 118.94 3hxj n ASP 102 Ca 0.00 -2.81 -0.09 0.00 -0.71 0.00 0.00 54.79 51.17 3hxj n ASP 102 Cb 0.00 -0.54 -0.06 0.00 -1.35 0.00 0.00 41.12 39.17 3hxj n ASP 102 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 3hxj s PHE 103 N -2.48 0.39 -0.20 2.11 -0.71 -1.26 -1.17 117.98 114.65 3hxj s PHE 103 Ca 0.44 -0.74 -0.18 0.00 -1.04 0.00 0.00 56.93 55.41 3hxj s PHE 103 Cb 0.33 0.10 0.05 0.00 -1.21 0.00 0.00 43.02 42.30 3hxj s PHE 103 CO 0.13 -0.90 0.54 -0.08 -1.34 0.00 0.00 175.22 173.56 3hxj s THR 104 N -4.01 -0.00 -0.16 -4.49 -1.32 -0.36 -4.81 115.64 100.49 3hxj s THR 104 Ca 0.21 0.01 -0.06 0.00 -1.21 0.00 0.00 61.69 60.65 3hxj s THR 104 Cb 0.01 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 3hxj s THR 104 CO 0.06 0.00 0.03 -0.63 -2.21 0.00 0.00 174.62 171.87 3hxj s ILE 105 N 0.47 4.48 -0.09 5.08 1.01 -1.26 -0.57 121.20 130.32 3hxj s ILE 105 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 3hxj s ILE 105 Cb -0.04 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.47 3hxj s ILE 105 CO -0.02 0.49 -0.03 0.12 0.00 0.00 0.00 174.94 175.50 3hxj s PHE 106 N 0.18 1.00 -0.92 3.97 5.36 0.57 -4.92 117.98 123.22 3hxj s PHE 106 Ca 0.02 -0.39 -0.08 0.00 -0.96 0.00 0.00 56.93 55.51 3hxj s PHE 106 Cb -0.13 -0.96 0.01 0.00 -0.34 0.00 0.00 43.02 41.60 3hxj s PHE 106 CO 0.01 -0.39 0.63 0.39 -1.46 0.00 0.00 175.22 174.40 3hxj n GLU 107 N 4.97 -1.23 -1.74 10.12 1.02 -1.26 -1.34 120.64 131.18 3hxj n GLU 107 Ca -0.11 0.62 -0.21 0.00 -0.02 0.00 0.00 57.16 57.44 3hxj n GLU 107 Cb 0.50 -2.48 -0.07 0.00 -0.02 0.00 0.00 31.44 29.37 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 -2.50 -5.55 -3.96 1.62 8.00 -1.26 -4.97 116.55 107.93 3hxj n ASP 108 Ca -0.26 0.42 -0.23 0.00 0.71 0.00 0.00 54.79 55.42 3hxj n ASP 108 Cb 0.66 -4.81 -0.17 0.00 -0.02 0.00 0.00 41.12 36.78 3hxj n ASP 108 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hxj s ILE 109 N -2.81 0.91 -0.23 0.53 -1.09 -0.45 -4.35 121.20 113.71 3hxj s ILE 109 Ca 0.00 -0.32 -0.15 0.00 -2.23 0.00 0.00 60.65 57.95 3hxj s ILE 109 Cb 0.00 -0.88 -0.04 0.00 -1.58 0.00 0.00 42.46 39.97 3hxj s ILE 109 CO 0.00 0.31 0.38 -0.22 -1.23 0.00 0.00 174.94 174.18 3hxj s LEU 110 N 0.93 4.10 -0.33 2.97 2.96 -0.54 -0.31 118.68 128.46 3hxj s LEU 110 Ca -0.10 0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 54.13 3hxj s LEU 110 Cb -0.15 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.11 3hxj s LEU 110 CO 0.01 -0.12 0.11 -0.31 -1.32 0.00 0.00 176.35 174.72 3hxj s TYR 111 N 1.64 3.21 -0.04 5.38 1.51 0.26 0.31 117.35 129.62 3hxj s TYR 111 Ca 0.17 -1.16 0.04 0.00 -1.01 0.00 0.00 57.07 55.11 3hxj s TYR 111 Cb -0.15 -2.29 -0.00 0.00 -0.11 0.00 0.00 41.96 39.40 3hxj s TYR 111 CO 0.08 -0.65 -0.17 0.54 -1.11 0.00 0.00 175.55 174.24 3hxj s VAL 112 N 1.47 1.42 0.48 0.71 0.11 0.29 -1.22 120.40 123.66 3hxj s VAL 112 Ca 0.01 -0.72 -0.04 0.00 -2.93 0.00 0.00 61.98 58.30 3hxj s VAL 112 Cb -0.18 -1.22 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 3hxj s VAL 112 CO 0.03 0.41 0.76 0.42 -3.33 0.00 0.00 175.10 173.40 3hxj s THR 113 N 0.01 4.62 0.00 5.04 -4.23 -0.31 0.17 115.64 120.94 3hxj s THR 113 Ca -0.03 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 3hxj s THR 113 Cb -0.11 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.97 3hxj s THR 113 CO 0.02 -0.69 0.00 -0.24 -0.54 0.00 0.00 174.62 173.17 3hxj n SER 114 N -2.24 0.05 0.00 3.99 2.88 -0.62 -4.91 113.62 112.78 3hxj n SER 114 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 3hxj n SER 114 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.03 0.00 -3.46 5.68 -1.26 -2.85 116.55 114.64 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 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 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 0.14 1.15 3.92 6.12 0.00 -1.25 -4.82 105.19 110.46 3hxj n GLY 117 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.34 3.39 -0.23 1.61 3.76 -1.25 -0.60 115.29 118.64 3hxj s HIS 118 Ca 0.00 0.05 -0.06 0.00 -0.15 0.00 0.00 55.06 54.90 3hxj s HIS 118 Cb 0.00 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 32.07 3hxj s HIS 118 CO 0.00 0.50 0.03 -1.17 -0.85 0.00 0.00 174.74 173.25 3hxj s LEU 119 N -3.40 3.28 -0.11 0.89 2.96 0.40 -1.58 118.68 121.12 3hxj s LEU 119 Ca 0.34 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 3hxj s LEU 119 Cb -0.10 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3hxj s LEU 119 CO 0.27 -0.01 0.04 -0.31 -1.32 0.00 0.00 176.35 175.02 3hxj s TYR 120 N 1.48 3.26 -0.30 5.38 1.51 0.13 -0.88 117.35 127.92 3hxj s TYR 120 Ca 0.05 0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 56.27 3hxj s TYR 120 Cb -0.15 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.84 3hxj s TYR 120 CO 0.02 0.46 0.10 0.00 -1.11 0.00 0.00 175.55 175.01 3hxj s ALA 121 N -0.66 3.11 -0.07 3.71 0.00 -0.47 -0.55 121.76 126.83 3hxj s ALA 121 Ca 0.11 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.61 3hxj s ALA 121 Cb -0.12 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 3hxj s ALA 121 CO 0.02 -0.97 -0.11 0.42 0.00 0.00 0.00 175.76 175.12 3hxj s ILE 122 N 1.51 3.37 0.74 0.00 -1.09 0.15 0.09 121.20 125.96 3hxj s ILE 122 Ca 0.03 -0.60 -0.12 0.00 -2.23 0.00 0.00 60.65 57.73 3hxj s ILE 122 Cb -0.17 -2.36 0.04 0.00 -1.58 0.00 0.00 42.46 38.38 3hxj s ILE 122 CO 0.03 0.58 1.12 0.20 -1.23 0.00 0.00 174.94 175.64 3hxj s ASN 123 N -0.55 5.13 0.53 3.58 0.02 0.96 -1.47 114.94 123.14 3hxj s ASN 123 Ca 0.08 1.05 0.26 0.00 -1.02 0.00 0.00 52.86 53.23 3hxj s ASN 123 Cb -0.12 -1.76 1.47 0.00 0.02 0.00 0.00 41.25 40.86 3hxj s ASN 123 CO 0.02 -1.53 2.10 0.71 0.02 0.00 0.00 177.10 178.42 3hxj h THR 124 N -0.79 0.64 0.00 1.60 1.35 -1.88 0.17 112.91 114.00 3hxj h THR 124 Ca -0.45 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 3hxj h THR 124 Cb 1.27 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3hxj h THR 124 CO 0.64 0.10 0.00 -0.67 -0.25 0.00 0.00 175.52 175.34 3hxj n ASP 125 N -3.79 0.04 0.00 5.36 4.64 -1.26 -4.74 116.55 116.79 3hxj n ASP 125 Ca -0.02 0.51 0.00 0.00 -1.38 0.00 0.00 54.79 53.90 3hxj n ASP 125 Cb 0.20 -0.52 0.00 0.00 -1.04 0.00 0.00 41.12 39.77 3hxj n ASP 125 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3hxj n GLY 126 N -0.11 1.98 3.79 0.27 0.00 0.58 -5.02 105.19 106.67 3hxj n GLY 126 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.52 3.44 -0.24 2.61 -4.23 -1.26 -4.69 115.64 108.75 3hxj s THR 127 Ca 0.00 0.47 -0.18 0.00 -1.18 0.00 0.00 61.69 60.80 3hxj s THR 127 Cb 0.00 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 3hxj s THR 127 CO 0.00 -0.61 0.50 -0.70 -0.54 0.00 0.00 174.62 173.27 3hxj s GLU 128 N -5.00 4.10 0.05 3.99 2.12 -1.26 -0.03 118.70 122.68 3hxj s GLU 128 Ca 0.60 0.33 -0.15 0.00 0.36 0.00 0.00 54.97 56.11 3hxj s GLU 128 Cb -0.16 -3.62 -0.27 0.00 0.26 0.00 0.00 34.13 30.34 3hxj s GLU 128 CO 0.55 -0.28 1.12 -0.22 -0.54 0.00 0.00 175.26 175.90 3hxj h LYS 129 N 7.84 0.64 -1.38 4.30 3.64 -0.69 -3.47 116.57 127.44 3hxj h LYS 129 Ca -0.31 -0.80 0.39 0.00 -1.27 0.00 0.00 60.65 58.67 3hxj h LYS 129 Cb 1.15 0.25 -0.12 0.00 -0.41 0.00 0.00 32.23 33.10 3hxj h LYS 129 CO 0.72 1.36 0.97 1.67 -2.27 0.00 0.00 179.45 181.90 3hxj s TRP 130 N -3.07 -0.00 -0.01 1.91 1.48 -1.18 -5.02 118.94 113.05 3hxj s TRP 130 Ca -0.10 -0.02 -0.06 0.00 -1.06 0.00 0.00 56.10 54.86 3hxj s TRP 130 Cb 0.06 0.51 0.00 0.00 -1.16 0.00 0.00 33.47 32.88 3hxj s TRP 130 CO 0.92 -0.06 0.13 -0.98 -4.06 0.00 0.00 176.95 172.90 3hxj s ARG 131 N -2.06 0.39 -0.13 3.25 1.70 -1.26 -1.36 118.95 119.48 3hxj s ARG 131 Ca 0.20 -0.26 0.03 0.00 -0.47 0.00 0.00 55.73 55.23 3hxj s ARG 131 Cb 0.05 0.17 0.01 0.00 -0.57 0.00 0.00 34.95 34.60 3hxj s ARG 131 CO -0.05 -0.09 -0.22 0.12 -1.08 0.00 0.00 175.30 173.99 3hxj s PHE 132 N -1.01 2.66 -0.16 5.89 5.36 -0.06 -4.95 117.98 125.71 3hxj s PHE 132 Ca -0.11 -1.24 -0.14 0.00 -0.96 0.00 0.00 56.93 54.48 3hxj s PHE 132 Cb -0.06 -1.80 -0.05 0.00 -0.34 0.00 0.00 43.02 40.77 3hxj s PHE 132 CO 0.01 -0.55 0.30 0.21 -1.46 0.00 0.00 175.22 173.73 3hxj s LYS 133 N 0.71 4.25 0.42 10.12 2.20 -1.26 -0.45 119.74 135.72 3hxj s LYS 133 Ca -0.09 0.11 0.07 0.00 -0.36 0.00 0.00 55.97 55.70 3hxj s LYS 133 Cb -0.16 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3hxj s LYS 133 CO 0.01 0.25 0.33 0.95 -0.36 0.00 0.00 175.35 176.53 3hxj s THR 134 N 0.44 2.52 0.01 3.43 -4.23 0.24 -4.99 115.64 113.05 3hxj s THR 134 Ca 0.17 -1.44 0.28 0.00 -1.18 0.00 0.00 61.69 59.52 3hxj s THR 134 Cb -0.13 -2.95 0.32 0.00 1.34 0.00 0.00 72.50 71.08 3hxj s THR 134 CO 0.04 0.00 1.85 0.11 -0.54 0.00 0.00 174.62 176.08 3hxj h LYS 135 N 1.11 0.00 0.00 3.99 1.57 -1.94 -3.44 116.57 117.85 3hxj h LYS 135 Ca -0.41 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 57.97 3hxj h LYS 135 Cb 1.26 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.47 3hxj h LYS 135 CO 0.60 0.09 -0.33 1.63 -0.57 0.00 0.00 179.45 180.87 3hxj n LYS 136 N -3.19 0.54 -1.62 3.15 5.02 -1.26 -4.92 118.16 115.88 3hxj n LYS 136 Ca 0.01 -3.14 -0.40 0.00 -2.02 0.00 0.00 58.31 52.76 3hxj n LYS 136 Cb 0.40 2.75 0.02 0.00 -0.02 0.00 0.00 35.03 38.18 3hxj n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hxj n ALA 137 N -0.68 0.29 -3.21 7.82 0.00 -1.26 -3.83 120.51 119.64 3hxj n ALA 137 Ca -0.13 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 3hxj n ALA 137 Cb 0.60 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.81 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 -1.34 3.50 0.00 0.00 1.01 -1.13 -1.03 121.20 122.21 3hxj s ILE 138 Ca 0.66 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3hxj s ILE 138 Cb -0.51 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.41 3hxj s ILE 138 CO 0.55 0.47 0.45 -1.22 0.00 0.00 0.00 174.94 175.18 3hxj n TYR 139 N 4.09 0.00 -3.37 3.97 4.01 -1.26 -4.41 117.16 120.19 3hxj n TYR 139 Ca -0.18 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.22 3hxj n TYR 139 Cb 0.52 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 -0.06 3.56 0.04 -0.72 0.00 -1.25 -4.74 121.76 118.59 3hxj s ALA 140 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 3hxj s ALA 140 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 3hxj s ALA 140 CO 0.00 0.47 1.09 0.99 0.00 0.00 0.00 175.76 178.31 3hxj s THR 141 N -1.58 4.43 0.36 0.00 2.01 -1.26 -4.85 115.64 114.75 3hxj s THR 141 Ca 0.41 1.75 -0.21 0.00 0.31 0.00 0.00 61.69 63.95 3hxj s THR 141 Cb -0.14 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.15 3hxj s THR 141 CO 0.20 0.14 0.88 -2.16 -0.69 0.00 0.00 174.62 172.99 3hxj s PRO 142 N 1.00 4.25 0.15 4.92 0.04 -1.26 -4.26 135.00 139.84 3hxj s PRO 142 Ca 0.55 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.70 3hxj s PRO 142 Cb -0.25 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 3hxj s PRO 142 CO 0.29 0.11 -0.14 0.96 0.04 0.00 0.00 177.00 178.26 3hxj s ILE 143 N -1.96 1.44 -0.07 0.56 -4.36 -0.44 -4.60 121.20 111.77 3hxj s ILE 143 Ca 0.56 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 59.07 3hxj s ILE 143 Cb -0.12 -1.73 0.01 0.00 1.25 0.00 0.00 42.46 41.87 3hxj s ILE 143 CO 0.17 -0.50 -0.13 -0.69 0.24 0.00 0.00 174.94 174.03 3hxj s VAL 144 N -2.52 1.20 0.71 8.37 1.01 -1.26 -0.47 120.40 127.44 3hxj s VAL 144 Ca 0.14 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 3hxj s VAL 144 Cb -0.03 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.27 3hxj s VAL 144 CO 0.04 0.37 1.07 -0.55 0.00 0.00 0.00 175.10 176.03 3hxj s SER 145 N 0.73 5.27 0.56 3.32 0.15 -0.05 -4.93 113.70 118.75 3hxj s SER 145 Ca -0.13 1.48 0.28 0.00 0.70 0.00 0.00 55.95 58.28 3hxj s SER 145 Cb -0.16 -2.34 1.64 0.00 -1.71 0.00 0.00 66.02 63.45 3hxj s SER 145 CO 0.03 -1.49 2.17 -0.33 1.20 0.00 0.00 173.24 174.81 3hxj h GLU 146 N -0.76 0.00 -0.13 5.44 3.07 -2.01 0.04 114.58 120.23 3hxj h GLU 146 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3hxj h GLU 146 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3hxj h GLU 146 CO 0.59 0.06 0.00 -0.40 -1.40 0.00 0.00 179.01 177.85 3hxj n ASP 147 N -3.77 0.90 0.00 1.42 5.75 -1.26 -4.88 116.55 114.70 3hxj n ASP 147 Ca -0.02 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 3hxj n ASP 147 Cb 0.15 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3hxj n ASP 147 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 148 N 0.87 1.11 3.73 6.12 0.00 0.00 -4.93 105.19 112.09 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 -2.45 2.86 -0.22 2.61 2.01 -1.26 -4.13 115.64 115.07 3hxj s THR 149 Ca 0.00 0.66 -0.09 0.00 0.31 0.00 0.00 61.69 62.57 3hxj s THR 149 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 3hxj s THR 149 CO 0.00 0.07 0.11 -0.63 -0.69 0.00 0.00 174.62 173.49 3hxj s ILE 150 N 0.64 5.03 -0.15 1.82 1.09 0.01 -0.87 121.20 128.77 3hxj s ILE 150 Ca 0.64 0.06 -0.02 0.00 -1.10 0.00 0.00 60.65 60.22 3hxj s ILE 150 Cb -0.41 -3.32 -0.02 0.00 -1.06 0.00 0.00 42.46 37.65 3hxj s ILE 150 CO 0.36 0.39 -0.07 -0.31 -0.10 0.00 0.00 174.94 175.21 3hxj s TYR 151 N 0.83 2.94 -0.24 3.97 2.02 0.38 -0.60 117.35 126.65 3hxj s TYR 151 Ca 0.06 -0.44 -0.26 0.00 -0.37 0.00 0.00 57.07 56.05 3hxj s TYR 151 Cb -0.13 -1.92 0.09 0.00 -0.40 0.00 0.00 41.96 39.60 3hxj s TYR 151 CO 0.02 -0.12 0.82 0.54 -1.57 0.00 0.00 175.55 175.25 3hxj s VAL 152 N 0.39 0.00 0.41 0.71 0.11 -0.84 -1.33 120.40 119.85 3hxj s VAL 152 Ca -0.06 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.05 3hxj s VAL 152 Cb -0.15 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 3hxj s VAL 152 CO 0.04 0.00 0.57 -0.83 -3.33 0.00 0.00 175.10 171.55 3hxj s GLY 153 N 0.08 1.78 0.14 6.54 0.00 -1.26 -0.52 107.32 114.07 3hxj s GLY 153 Ca -0.00 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.21 3hxj s GLY 153 CO -0.00 -1.34 0.02 -0.45 0.00 0.00 0.00 173.10 171.33 3hxj s SER 154 N -4.29 0.71 0.00 1.64 0.15 -0.85 -4.39 113.70 106.68 3hxj s SER 154 Ca 0.51 -1.17 0.18 0.00 0.70 0.00 0.00 55.95 56.18 3hxj s SER 154 Cb -0.10 0.21 0.99 0.00 -1.71 0.00 0.00 66.02 65.41 3hxj s SER 154 CO 0.33 -0.65 1.54 0.59 1.20 0.00 0.00 173.24 176.26 3hxj n ASN 155 N -0.13 0.00 -0.12 5.45 4.13 -0.20 -1.73 115.26 122.66 3hxj n ASN 155 Ca -0.07 -0.18 0.04 0.00 1.68 0.00 0.00 54.58 56.06 3hxj n ASN 155 Cb 0.63 -0.19 0.20 0.00 -1.54 0.00 0.00 39.78 38.88 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 -1.19 0.34 0.00 6.41 5.68 -1.26 -4.50 116.55 122.03 3hxj n ASP 156 Ca 0.10 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 3hxj n ASP 156 Cb 0.12 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 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 -0.40 -0.46 -4.80 -1.12 3.02 -0.71 -4.93 115.26 105.86 3hxj n ASN 157 Ca 0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 3hxj n ASN 157 Cb 0.08 -0.22 -0.07 0.00 -0.61 0.00 0.00 39.78 38.96 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 -3.55 3.35 -0.26 3.10 2.02 -1.26 -0.64 117.35 120.12 3hxj s TYR 158 Ca 0.00 0.27 -0.10 0.00 -0.37 0.00 0.00 57.07 56.87 3hxj s TYR 158 Cb 0.00 -1.78 -0.05 0.00 -0.40 0.00 0.00 41.96 39.73 3hxj s TYR 158 CO 0.00 0.58 0.15 -1.17 -1.57 0.00 0.00 175.55 173.55 3hxj s LEU 159 N -1.59 3.95 -0.09 -1.29 1.98 0.37 -2.00 118.68 120.02 3hxj s LEU 159 Ca 0.21 0.00 -0.03 0.00 -2.89 0.00 0.00 54.13 51.42 3hxj s LEU 159 Cb -0.12 -2.08 -0.04 0.00 0.66 0.00 0.00 46.19 44.62 3hxj s LEU 159 CO 0.12 0.00 0.06 -0.31 -1.89 0.00 0.00 176.35 174.33 3hxj s TYR 160 N 1.43 3.33 -0.30 5.38 2.02 0.32 -0.60 117.35 128.92 3hxj s TYR 160 Ca 0.07 0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 57.06 3hxj s TYR 160 Cb -0.15 -1.83 0.05 0.00 -0.40 0.00 0.00 41.96 39.62 3hxj s TYR 160 CO 0.07 0.57 0.00 0.00 -1.57 0.00 0.00 175.55 174.63 3hxj s ALA 161 N -0.98 2.82 -0.11 3.71 0.00 -0.16 -1.98 121.76 125.07 3hxj s ALA 161 Ca 0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 3hxj s ALA 161 Cb -0.12 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 3hxj s ALA 161 CO 0.04 -1.23 -0.05 0.42 0.00 0.00 0.00 175.76 174.95 3hxj s ILE 162 N 1.27 3.85 0.68 0.00 1.09 0.23 0.57 121.20 128.90 3hxj s ILE 162 Ca -0.05 -0.40 -0.11 0.00 -1.10 0.00 0.00 60.65 58.99 3hxj s ILE 162 Cb -0.19 -2.63 -0.01 0.00 -1.06 0.00 0.00 42.46 38.57 3hxj s ILE 162 CO -0.01 0.56 1.05 0.20 -0.10 0.00 0.00 174.94 176.64 3hxj s ASN 163 N -0.34 5.62 0.59 3.58 0.02 0.16 -0.81 114.94 123.77 3hxj s ASN 163 Ca 0.05 1.53 0.29 0.00 -1.02 0.00 0.00 52.86 53.71 3hxj s ASN 163 Cb -0.12 -2.45 1.55 0.00 0.02 0.00 0.00 41.25 40.24 3hxj s ASN 163 CO 0.02 -1.28 1.97 -0.65 0.02 0.00 0.00 177.10 177.19 3hxj h PRO 164 N -0.60 0.00 -0.32 -0.60 0.11 -1.88 0.15 132.00 128.86 3hxj h PRO 164 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hxj h PRO 164 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hxj h PRO 164 CO 0.59 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3hxj n ASP 165 N -3.71 1.79 0.00 -2.05 5.75 -1.26 -4.90 116.55 112.18 3hxj n ASP 165 Ca 0.05 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 3hxj n ASP 165 Cb 0.52 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 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 1.05 0.82 3.87 6.12 0.00 0.53 -5.02 105.19 112.56 3hxj n GLY 166 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.21 4.80 -0.24 2.61 -4.23 -1.25 -4.75 115.64 109.36 3hxj s THR 167 Ca 0.00 0.64 -0.29 0.00 -1.18 0.00 0.00 61.69 60.86 3hxj s THR 167 Cb 0.00 -3.68 -0.00 0.00 1.34 0.00 0.00 72.50 70.16 3hxj s THR 167 CO 0.00 -0.33 1.22 -0.70 -0.54 0.00 0.00 174.62 174.27 3hxj s GLU 168 N -3.41 4.10 -0.00 3.99 2.12 -1.26 0.40 118.70 124.64 3hxj s GLU 168 Ca 0.51 1.40 -0.21 0.00 0.36 0.00 0.00 54.97 57.03 3hxj s GLU 168 Cb -0.10 -3.79 -0.21 0.00 0.26 0.00 0.00 34.13 30.29 3hxj s GLU 168 CO 0.25 -0.87 1.14 -0.22 -0.54 0.00 0.00 175.26 175.03 3hxj h LYS 169 N 8.47 0.32 -1.74 4.30 3.64 -0.19 -3.46 116.57 127.91 3hxj h LYS 169 Ca -0.25 -0.28 0.31 0.00 -1.27 0.00 0.00 60.65 59.15 3hxj h LYS 169 Cb 1.09 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.88 3hxj h LYS 169 CO 1.00 0.95 0.80 1.67 -2.27 0.00 0.00 179.45 181.59 3hxj s TRP 170 N -3.48 -0.03 0.01 1.91 1.48 -1.07 -5.02 118.94 112.75 3hxj s TRP 170 Ca -0.14 -0.12 -0.05 0.00 -1.06 0.00 0.00 56.10 54.72 3hxj s TRP 170 Cb 0.03 0.57 -0.01 0.00 -1.16 0.00 0.00 33.47 32.91 3hxj s TRP 170 CO 0.78 -0.37 0.10 -0.98 -4.06 0.00 0.00 176.95 172.41 3hxj s ARG 171 N -2.40 0.46 -0.16 3.25 1.70 -1.26 -0.98 118.95 119.56 3hxj s ARG 171 Ca 0.18 -0.50 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 3hxj s ARG 171 Cb 0.03 0.19 0.03 0.00 -0.57 0.00 0.00 34.95 34.63 3hxj s ARG 171 CO -0.02 -0.11 -0.09 0.12 -1.08 0.00 0.00 175.30 174.12 3hxj s PHE 172 N -1.59 1.95 0.08 5.89 2.19 0.23 -4.94 117.98 121.80 3hxj s PHE 172 Ca -0.14 -1.18 -0.25 0.00 0.33 0.00 0.00 56.93 55.70 3hxj s PHE 172 Cb -0.07 -1.45 -0.06 0.00 -1.31 0.00 0.00 43.02 40.13 3hxj s PHE 172 CO 0.00 -0.64 0.76 0.21 1.83 0.00 0.00 175.22 177.38 3hxj s LYS 173 N 1.55 4.50 0.26 10.12 2.20 -1.26 -0.48 119.74 136.64 3hxj s LYS 173 Ca 0.02 1.08 0.01 0.00 -0.36 0.00 0.00 55.97 56.72 3hxj s LYS 173 Cb -0.14 -3.33 -0.00 0.00 -1.51 0.00 0.00 37.83 32.84 3hxj s LYS 173 CO -0.09 0.37 0.02 0.25 -0.36 0.00 0.00 175.35 175.55 3hxj n THR 174 N 2.45 0.00 0.22 3.43 -2.24 0.19 -4.99 114.28 113.34 3hxj n THR 174 Ca -0.04 -1.32 0.12 0.00 -2.27 0.00 0.00 64.05 60.55 3hxj n THR 174 Cb 0.50 0.32 0.25 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.33 3.43 -3.95 3.42 3.02 -1.26 -4.80 115.26 113.79 3hxj n ASN 175 Ca -0.09 -1.98 -0.09 0.00 -0.03 0.00 0.00 54.58 52.39 3hxj n ASN 175 Cb 0.35 -0.30 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 3hxj n ASN 175 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hxj s ASP 176 N -1.36 -0.13 0.39 6.41 -1.08 -1.26 -4.85 116.67 114.80 3hxj s ASP 176 Ca 0.41 -0.83 -0.26 0.00 -0.52 0.00 0.00 52.55 51.34 3hxj s ASP 176 Cb 0.23 0.59 -0.09 0.00 -1.46 0.00 0.00 42.92 42.19 3hxj s ASP 176 CO 0.31 -1.14 1.29 0.00 0.52 0.00 0.00 175.17 176.16 3hxj s ALA 177 N -3.99 3.29 -0.40 3.66 0.00 -1.26 -4.05 121.76 119.01 3hxj s ALA 177 Ca 0.19 1.22 -0.13 0.00 0.00 0.00 0.00 51.96 53.25 3hxj s ALA 177 Cb -0.01 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.67 3hxj s ALA 177 CO 0.07 -0.77 0.26 0.42 0.00 0.00 0.00 175.76 175.74 3hxj s ILE 178 N -1.25 4.82 -1.62 0.00 1.01 -0.83 -4.64 121.20 118.69 3hxj s ILE 178 Ca 0.55 -0.89 0.13 0.00 0.00 0.00 0.00 60.65 60.45 3hxj s ILE 178 Cb -0.38 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.48 3hxj s ILE 178 CO 0.49 -0.33 0.95 0.35 0.00 0.00 0.00 174.94 176.40 3hxj n THR 179 N 5.06 0.08 -4.40 2.92 -2.24 -1.26 -3.62 114.28 110.82 3hxj n THR 179 Ca -0.11 -0.54 -0.21 0.00 -2.27 0.00 0.00 64.05 60.92 3hxj n THR 179 Cb 0.46 1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 69.80 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 -1.10 2.88 0.81 3.42 1.04 -1.26 -3.88 113.70 115.62 3hxj s SER 180 Ca 0.17 -1.08 -0.11 0.00 0.48 0.00 0.00 55.95 55.41 3hxj s SER 180 Cb 0.11 -0.19 0.08 0.00 0.10 0.00 0.00 66.02 66.13 3hxj s SER 180 CO 0.17 -0.18 1.09 0.00 0.98 0.00 0.00 173.24 175.30 3hxj s ALA 181 N -2.88 2.03 0.51 5.32 0.00 -1.26 -4.62 121.76 120.86 3hxj s ALA 181 Ca 0.26 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.32 3hxj s ALA 181 Cb -0.00 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.93 3hxj s ALA 181 CO 0.10 -1.93 0.71 0.00 0.00 0.00 0.00 175.76 174.64 3hxj s ALA 182 N -2.96 4.02 0.11 0.00 0.00 -1.26 -4.53 121.76 117.14 3hxj s ALA 182 Ca 0.62 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 51.27 3hxj s ALA 182 Cb -0.17 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 3hxj s ALA 182 CO 0.56 -0.59 -0.15 -1.12 0.00 0.00 0.00 175.76 174.46 3hxj s SER 183 N -4.38 2.03 -0.11 0.00 0.01 0.79 -4.89 113.70 107.15 3hxj s SER 183 Ca 0.55 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 57.09 3hxj s SER 183 Cb -0.10 -0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.06 3hxj s SER 183 CO 0.37 -0.09 -0.17 -0.63 0.41 0.00 0.00 173.24 173.12 3hxj s ILE 184 N -1.77 1.67 0.84 1.44 1.01 -0.37 0.02 121.20 124.02 3hxj s ILE 184 Ca 0.06 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.84 3hxj s ILE 184 Cb -0.07 -1.50 0.10 0.00 0.01 0.00 0.00 42.46 41.00 3hxj s ILE 184 CO 0.03 0.47 1.16 -0.83 0.00 0.00 0.00 174.94 175.78 3hxj s GLY 185 N 0.89 1.59 0.55 6.18 0.00 0.87 -4.45 107.32 112.95 3hxj s GLY 185 Ca -0.08 -0.59 0.26 0.00 0.00 0.00 0.00 44.72 44.31 3hxj s GLY 185 CO -0.01 -0.08 2.03 0.50 0.00 0.00 0.00 173.10 175.54 3hxj h LYS 186 N -1.19 0.00 -0.55 2.90 1.57 -1.95 0.12 116.57 117.48 3hxj h LYS 186 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3hxj h LYS 186 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3hxj h LYS 186 CO 0.64 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.12 3hxj n ASP 187 N -4.17 3.08 0.00 0.86 5.75 -1.26 -4.92 116.55 115.89 3hxj n ASP 187 Ca 0.06 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3hxj n ASP 187 Cb 0.49 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3hxj n ASP 187 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 188 N 1.42 0.96 3.78 6.12 0.00 0.44 -4.92 105.19 112.99 3hxj n GLY 188 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.78 2.03 -0.21 2.61 2.01 -1.26 -4.37 115.64 113.67 3hxj s THR 189 Ca 0.00 0.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.95 3hxj s THR 189 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 3hxj s THR 189 CO 0.00 0.01 0.08 -0.63 -0.69 0.00 0.00 174.62 173.39 3hxj s ILE 190 N -0.97 4.80 -0.07 1.82 -1.09 0.12 -0.09 121.20 125.72 3hxj s ILE 190 Ca 0.54 -0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.98 3hxj s ILE 190 Cb -0.47 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3hxj s ILE 190 CO 0.62 0.41 -0.20 -0.31 -1.23 0.00 0.00 174.94 174.22 3hxj s TYR 191 N 0.79 2.58 0.25 3.97 1.51 0.10 0.09 117.35 126.64 3hxj s TYR 191 Ca 0.04 -0.58 -0.19 0.00 -1.01 0.00 0.00 57.07 55.33 3hxj s TYR 191 Cb -0.13 -1.66 0.02 0.00 -0.11 0.00 0.00 41.96 40.08 3hxj s TYR 191 CO 0.02 -0.13 0.64 -0.59 -1.11 0.00 0.00 175.55 174.39 3hxj s PHE 192 N -0.18 -0.11 0.06 2.71 -0.12 -0.68 -0.15 117.98 119.51 3hxj s PHE 192 Ca -0.02 -0.29 0.05 0.00 -0.05 0.00 0.00 56.93 56.62 3hxj s PHE 192 Cb -0.14 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 3hxj s PHE 192 CO 0.03 -1.12 -0.14 0.20 -0.05 0.00 0.00 175.22 174.15 3hxj s GLY 193 N -2.92 0.82 0.00 1.99 0.00 -1.26 -0.39 107.32 105.57 3hxj s GLY 193 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3hxj s GLY 193 CO 0.04 -0.94 0.00 -1.14 0.00 0.00 0.00 173.10 171.06 3hxj n SER 194 N 1.49 0.00 0.25 1.64 3.41 -1.25 -4.54 113.62 114.61 3hxj n SER 194 Ca -0.20 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.58 3hxj n SER 194 Cb 0.54 0.00 0.82 0.00 -0.26 0.00 0.00 64.21 65.32 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 -2.39 4.04 2.03 -1.84 0.14 116.42 118.40 3hxj h ASP 195 Ca 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 3hxj h ASP 195 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3hxj h ASP 195 CO 0.00 0.00 0.16 2.29 -1.03 0.00 0.00 179.24 180.66 3hxj n LYS 196 N -2.74 0.72 -3.33 4.15 2.85 -1.26 -4.38 118.16 114.18 3hxj n LYS 196 Ca -0.01 -1.50 -0.39 0.00 -1.05 0.00 0.00 58.31 55.36 3hxj n LYS 196 Cb 0.14 1.83 -0.07 0.00 -0.65 0.00 0.00 35.03 36.28 3hxj n LYS 196 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3hxj s VAL 197 N -2.44 5.16 0.00 0.58 1.01 0.20 -4.33 120.40 120.58 3hxj s VAL 197 Ca 0.11 0.83 0.05 0.00 0.00 0.00 0.00 61.98 62.97 3hxj s VAL 197 Cb -0.03 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3hxj s VAL 197 CO 0.08 0.23 -0.13 -0.31 0.00 0.00 0.00 175.10 174.97 3hxj s TYR 198 N 1.38 2.72 -0.23 5.22 1.51 0.48 0.12 117.35 128.56 3hxj s TYR 198 Ca 0.22 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 3hxj s TYR 198 Cb -0.15 -1.57 0.05 0.00 -0.11 0.00 0.00 41.96 40.18 3hxj s TYR 198 CO 0.09 0.28 -0.13 0.00 -1.11 0.00 0.00 175.55 174.67 3hxj s ALA 199 N -0.89 2.40 -0.12 3.71 0.00 -0.26 -1.69 121.76 124.91 3hxj s ALA 199 Ca 0.15 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 3hxj s ALA 199 Cb -0.11 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 3hxj s ALA 199 CO 0.05 -0.91 -0.05 0.42 0.00 0.00 0.00 175.76 175.27 3hxj s ILE 200 N 1.21 3.81 0.67 0.00 -1.09 0.11 -0.20 121.20 125.71 3hxj s ILE 200 Ca -0.04 -0.41 -0.13 0.00 -2.23 0.00 0.00 60.65 57.84 3hxj s ILE 200 Cb -0.17 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 3hxj s ILE 200 CO -0.08 0.54 1.08 0.20 -1.23 0.00 0.00 174.94 175.45 3hxj s ASN 201 N -0.13 5.26 0.61 3.58 0.01 0.68 -0.70 114.94 124.25 3hxj s ASN 201 Ca 0.02 1.81 0.33 0.00 -0.71 0.00 0.00 52.86 54.31 3hxj s ASN 201 Cb -0.13 -2.53 1.91 0.00 0.41 0.00 0.00 41.25 40.91 3hxj s ASN 201 CO 0.03 -1.53 2.22 -0.65 -1.51 0.00 0.00 177.10 175.66 3hxj h PRO 202 N -0.28 0.00 -0.02 -0.60 0.11 -1.87 -0.01 132.00 129.32 3hxj h PRO 202 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hxj h PRO 202 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hxj h PRO 202 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3hxj n ASP 203 N -3.60 0.31 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.81 3hxj n ASP 203 Ca -0.02 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 3hxj n ASP 203 Cb 0.17 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 3hxj n ASP 203 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 204 N 0.91 0.73 3.95 6.12 0.00 -0.02 -5.04 105.19 111.84 3hxj n GLY 204 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3hxj n GLY 204 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 205 N -2.90 4.42 0.08 2.61 -4.23 -1.26 -4.86 115.64 109.51 3hxj s THR 205 Ca 0.00 -0.48 -0.23 0.00 -1.18 0.00 0.00 61.69 59.80 3hxj s THR 205 Cb 0.00 -3.62 -0.06 0.00 1.34 0.00 0.00 72.50 70.15 3hxj s THR 205 CO 0.00 -0.43 0.69 -0.70 -0.54 0.00 0.00 174.62 173.64 3hxj s GLU 206 N -4.46 4.41 -0.15 3.99 2.12 -1.26 -0.23 118.70 123.12 3hxj s GLU 206 Ca 0.45 0.95 -0.12 0.00 0.36 0.00 0.00 54.97 56.61 3hxj s GLU 206 Cb -0.10 -3.30 -0.24 0.00 0.26 0.00 0.00 34.13 30.75 3hxj s GLU 206 CO 0.37 0.46 0.31 1.17 -0.54 0.00 0.00 175.26 177.03 3hxj n LYS 207 N 2.21 0.69 -3.66 4.30 4.81 0.72 -4.81 118.16 122.42 3hxj n LYS 207 Ca -0.06 0.38 0.01 0.00 -0.87 0.00 0.00 58.31 57.77 3hxj n LYS 207 Cb 0.50 -1.72 -0.00 0.00 0.02 0.00 0.00 35.03 33.82 3hxj n LYS 207 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 3hxj s TRP 208 N -2.49 -0.04 0.03 5.64 1.48 -1.11 -5.02 118.94 117.43 3hxj s TRP 208 Ca -0.25 -0.09 -0.02 0.00 -1.06 0.00 0.00 56.10 54.69 3hxj s TRP 208 Cb 0.06 0.56 -0.02 0.00 -1.16 0.00 0.00 33.47 32.91 3hxj s TRP 208 CO 0.70 -0.34 0.00 0.54 -4.06 0.00 0.00 176.95 173.79 3hxj s ASN 209 N -3.05 0.29 -0.07 -2.66 2.20 -1.26 -1.10 114.94 109.29 3hxj s ASN 209 Ca 0.15 -0.63 -0.03 0.00 -0.94 0.00 0.00 52.86 51.41 3hxj s ASN 209 Cb 0.04 0.16 0.04 0.00 -2.00 0.00 0.00 41.25 39.48 3hxj s ASN 209 CO -0.03 -0.43 0.15 0.12 -2.94 0.00 0.00 177.10 173.98 3hxj s PHE 210 N -2.35 -0.18 -0.35 1.54 2.19 0.12 -4.97 117.98 113.99 3hxj s PHE 210 Ca -0.08 0.51 -0.18 0.00 0.33 0.00 0.00 56.93 57.51 3hxj s PHE 210 Cb -0.03 -0.07 -0.00 0.00 -1.31 0.00 0.00 43.02 41.60 3hxj s PHE 210 CO -0.04 -0.17 0.52 -0.47 1.83 0.00 0.00 175.22 176.88 3hxj s TYR 211 N 1.16 3.18 -0.29 10.12 5.04 -1.26 0.58 117.35 135.88 3hxj s TYR 211 Ca -0.09 0.20 -0.00 0.00 -2.44 0.00 0.00 57.07 54.74 3hxj s TYR 211 Cb -0.11 -2.92 0.25 0.00 0.35 0.00 0.00 41.96 39.52 3hxj s TYR 211 CO -0.06 -0.53 1.85 0.00 -1.34 0.00 0.00 175.55 175.47 3hxj n ALA 212 N 5.74 4.79 -1.05 3.97 0.00 -1.26 -4.80 120.51 127.89 3hxj n ALA 212 Ca -0.05 -1.58 -0.02 0.00 0.00 0.00 0.00 53.44 51.79 3hxj n ALA 212 Cb 0.49 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 0.16 0.42 0.00 0.00 0.00 -1.26 -4.72 105.19 99.79 3hxj n GLY 213 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.53 0.00 -2.19 1.61 4.19 -1.26 -4.64 117.16 112.35 3hxj n TYR 214 Ca -0.02 0.00 -0.36 0.00 3.31 0.00 0.00 57.90 60.83 3hxj n TYR 214 Cb 0.27 0.00 0.01 0.00 0.49 0.00 0.00 39.34 40.11 3hxj n TYR 214 CO 0.00 0.00 0.00 1.67 0.91 0.00 0.00 176.86 179.44 3hxj s TRP 215 N -2.00 2.65 -0.17 2.98 -2.14 -1.26 -4.72 118.94 114.28 3hxj s TRP 215 Ca 0.00 1.53 -0.13 0.00 2.66 0.00 0.00 56.10 60.16 3hxj s TRP 215 Cb 0.00 -3.38 -0.05 0.00 -3.10 0.00 0.00 33.47 26.94 3hxj s TRP 215 CO 0.00 -1.75 0.27 0.99 -2.66 0.00 0.00 176.95 173.80 3hxj s THR 216 N -1.65 5.32 0.00 0.66 2.01 0.03 -4.71 115.64 117.30 3hxj s THR 216 Ca 0.71 0.49 0.00 0.00 0.31 0.00 0.00 61.69 63.20 3hxj s THR 216 Cb -0.27 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.63 3hxj s THR 216 CO 0.31 0.40 0.85 1.33 -0.69 0.00 0.00 174.62 176.82 3hxj n VAL 217 N 3.55 0.72 -4.37 3.82 0.24 -1.26 -3.81 118.33 117.22 3hxj n VAL 217 Ca -0.13 -0.76 -0.19 0.00 -2.04 0.00 0.00 64.34 61.22 3hxj n VAL 217 Cb 0.52 0.66 -0.10 0.00 -1.47 0.00 0.00 33.84 33.45 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 -0.72 1.84 0.30 3.34 -4.23 -1.26 -4.61 115.64 110.30 3hxj s THR 218 Ca 0.00 -2.23 -0.19 0.00 -1.18 0.00 0.00 61.69 58.08 3hxj s THR 218 Cb 0.00 -2.12 -0.09 0.00 1.34 0.00 0.00 72.50 71.63 3hxj s THR 218 CO 0.00 -0.54 0.80 0.00 -0.54 0.00 0.00 174.62 174.34 3hxj s ARG 219 N -3.63 4.22 0.47 3.99 1.70 -1.26 -4.64 118.95 119.80 3hxj s ARG 219 Ca 0.24 0.92 -0.22 0.00 -0.47 0.00 0.00 55.73 56.20 3hxj s ARG 219 Cb -0.01 -2.62 -0.08 0.00 -0.57 0.00 0.00 34.95 31.68 3hxj s ARG 219 CO 0.08 0.23 1.09 -2.14 -1.08 0.00 0.00 175.30 173.49 3hxj s PRO 220 N -2.49 3.80 -0.15 3.89 0.02 -1.26 -4.64 135.00 134.17 3hxj s PRO 220 Ca 0.51 1.54 -0.04 0.00 0.02 0.00 0.00 61.00 63.02 3hxj s PRO 220 Cb -0.14 -2.26 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 3hxj s PRO 220 CO 0.19 -0.46 -0.01 0.00 -0.33 0.00 0.00 177.00 176.39 3hxj s ALA 221 N -1.76 3.12 -0.17 -1.55 0.00 0.09 -4.09 121.76 117.39 3hxj s ALA 221 Ca 0.65 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3hxj s ALA 221 Cb -0.22 -1.62 -0.00 0.00 0.00 0.00 0.00 23.12 21.28 3hxj s ALA 221 CO 0.26 0.25 -0.13 0.42 0.00 0.00 0.00 175.76 176.57 3hxj s ILE 222 N 0.21 2.77 0.79 0.00 1.01 0.11 0.53 121.20 126.62 3hxj s ILE 222 Ca -0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 3hxj s ILE 222 Cb -0.13 -2.19 0.11 0.00 0.01 0.00 0.00 42.46 40.25 3hxj s ILE 222 CO 0.02 0.50 1.13 -0.94 0.00 0.00 0.00 174.94 175.65 3hxj s SER 223 N 1.00 4.28 0.42 3.58 1.04 -0.73 -4.80 113.70 118.48 3hxj s SER 223 Ca -0.01 0.40 0.09 0.00 0.48 0.00 0.00 55.95 56.91 3hxj s SER 223 Cb -0.15 -0.84 0.89 0.00 0.10 0.00 0.00 66.02 66.03 3hxj s SER 223 CO -0.02 -1.98 2.01 -0.33 0.98 0.00 0.00 173.24 173.90 3hxj h GLU 224 N -0.96 0.32 -0.00 4.02 4.39 -2.00 -1.93 114.58 118.43 3hxj h GLU 224 Ca -0.44 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3hxj h GLU 224 Cb 1.29 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3hxj h GLU 224 CO 0.54 0.31 -0.04 -0.40 -1.16 0.00 0.00 179.01 178.26 3hxj n ASP 225 N -4.40 0.25 0.00 1.42 5.75 -1.26 -4.91 116.55 113.40 3hxj n ASP 225 Ca 0.00 -0.61 0.00 0.00 -0.01 0.00 0.00 54.79 54.17 3hxj n ASP 225 Cb 0.15 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 3hxj n ASP 225 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 226 N 1.20 0.55 3.74 6.12 0.00 -0.72 -4.98 105.19 111.09 3hxj n GLY 226 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.15 3.38 -0.23 2.61 2.01 -1.26 -4.15 115.64 115.84 3hxj s THR 227 Ca 0.00 1.21 -0.09 0.00 0.31 0.00 0.00 61.69 63.12 3hxj s THR 227 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 3hxj s THR 227 CO 0.00 0.22 0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 3hxj s ILE 228 N -0.31 5.07 -0.11 1.82 1.09 0.14 -1.78 121.20 127.12 3hxj s ILE 228 Ca 0.52 0.08 -0.01 0.00 -1.10 0.00 0.00 60.65 60.13 3hxj s ILE 228 Cb -0.34 -3.35 -0.03 0.00 -1.06 0.00 0.00 42.46 37.67 3hxj s ILE 228 CO 0.39 0.36 -0.05 -0.31 -0.10 0.00 0.00 174.94 175.23 3hxj s TYR 229 N 1.10 3.01 -0.03 3.97 2.02 0.19 0.07 117.35 127.67 3hxj s TYR 229 Ca 0.06 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.65 3hxj s TYR 229 Cb -0.14 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.62 3hxj s TYR 229 CO 0.04 0.19 0.07 0.54 -1.57 0.00 0.00 175.55 174.83 3hxj s VAL 230 N -0.31 -0.03 0.36 0.71 0.11 0.03 -0.73 120.40 120.53 3hxj s VAL 230 Ca 0.05 0.12 -0.09 0.00 -2.93 0.00 0.00 61.98 59.14 3hxj s VAL 230 Cb -0.12 -0.13 -0.06 0.00 -1.53 0.00 0.00 36.38 34.53 3hxj s VAL 230 CO 0.02 0.05 0.70 0.42 -3.33 0.00 0.00 175.10 172.96 3hxj s THR 231 N 0.70 4.86 0.05 5.04 -4.23 -1.26 0.21 115.64 121.02 3hxj s THR 231 Ca -0.06 0.45 0.04 0.00 -1.18 0.00 0.00 61.69 60.94 3hxj s THR 231 Cb -0.08 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.01 3hxj s THR 231 CO -0.03 -0.44 -0.12 -0.55 -0.54 0.00 0.00 174.62 172.94 3hxj s SER 232 N -3.12 1.37 0.00 3.99 0.15 -0.38 -4.89 113.70 110.82 3hxj s SER 232 Ca 0.49 -0.53 0.09 0.00 0.70 0.00 0.00 55.95 56.71 3hxj s SER 232 Cb -0.10 -0.04 0.48 0.00 -1.71 0.00 0.00 66.02 64.65 3hxj s SER 232 CO 0.30 -0.08 1.17 0.18 1.20 0.00 0.00 173.24 176.02 3hxj n LEU 233 N 1.58 0.00 -0.58 3.45 7.99 -1.25 -1.29 117.00 126.89 3hxj n LEU 233 Ca -0.20 0.27 0.08 0.00 -0.01 0.00 0.00 56.01 56.15 3hxj n LEU 233 Cb 0.55 -0.27 0.29 0.00 -0.11 0.00 0.00 43.42 43.87 3hxj n LEU 233 CO 0.22 -0.19 0.72 -0.90 -1.51 0.00 0.00 177.39 175.73 3hxj n ASP 234 N -1.27 1.73 0.00 -1.43 5.75 -1.26 -4.44 116.55 115.63 3hxj n ASP 234 Ca 0.05 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 3hxj n ASP 234 Cb 0.07 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 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 1.09 0.81 3.85 6.12 0.00 -0.41 -4.75 105.19 111.91 3hxj n GLY 235 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.25 3.28 -0.23 1.61 3.76 -1.25 -1.75 115.29 117.45 3hxj s HIS 236 Ca 0.00 0.05 -0.06 0.00 -0.15 0.00 0.00 55.06 54.90 3hxj s HIS 236 Cb 0.00 -1.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 3hxj s HIS 236 CO 0.00 0.52 0.04 -1.17 -0.85 0.00 0.00 174.74 173.28 3hxj s LEU 237 N -3.03 3.36 -0.12 0.89 2.96 0.03 -1.24 118.68 121.53 3hxj s LEU 237 Ca 0.32 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3hxj s LEU 237 Cb -0.11 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 3hxj s LEU 237 CO 0.25 0.00 0.06 -0.31 -1.32 0.00 0.00 176.35 175.03 3hxj s TYR 238 N 1.39 3.32 -0.21 5.38 1.51 0.13 -0.70 117.35 128.17 3hxj s TYR 238 Ca 0.05 0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 56.36 3hxj s TYR 238 Cb -0.15 -1.90 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 3hxj s TYR 238 CO 0.02 0.48 -0.11 0.00 -1.11 0.00 0.00 175.55 174.84 3hxj s ALA 239 N -0.66 2.62 -0.15 3.71 0.00 -0.47 -0.79 121.76 126.02 3hxj s ALA 239 Ca 0.11 -1.21 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 3hxj s ALA 239 Cb -0.12 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 3hxj s ALA 239 CO 0.02 -0.43 -0.14 0.42 0.00 0.00 0.00 175.76 175.64 3hxj s ILE 240 N 1.39 2.85 0.75 0.00 1.01 0.11 -0.04 121.20 127.27 3hxj s ILE 240 Ca 0.05 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 3hxj s ILE 240 Cb -0.14 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.18 3hxj s ILE 240 CO -0.07 0.51 1.12 0.20 0.00 0.00 0.00 174.94 176.70 3hxj s ASN 241 N 0.65 4.46 0.59 3.58 0.02 0.86 -0.69 114.94 124.42 3hxj s ASN 241 Ca -0.07 1.98 0.29 0.00 -1.02 0.00 0.00 52.86 54.04 3hxj s ASN 241 Cb -0.16 -2.54 1.59 0.00 0.02 0.00 0.00 41.25 40.16 3hxj s ASN 241 CO 0.02 -2.07 2.01 -0.65 0.02 0.00 0.00 177.10 176.44 3hxj h PRO 242 N -0.76 0.00 -0.21 -0.60 0.11 -1.88 0.40 132.00 129.05 3hxj h PRO 242 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hxj h PRO 242 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hxj h PRO 242 CO 0.51 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.90 3hxj n ASP 243 N -3.71 1.44 0.00 -2.05 5.68 -1.26 -4.91 116.55 111.74 3hxj n ASP 243 Ca 0.04 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 3hxj n ASP 243 Cb 0.46 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 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 1.01 1.33 3.81 6.12 0.00 0.13 -4.97 105.19 112.62 3hxj n GLY 244 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.41 4.31 -0.17 2.61 -4.23 -1.26 -4.77 115.64 109.72 3hxj s THR 245 Ca 0.00 1.49 -0.29 0.00 -1.18 0.00 0.00 61.69 61.71 3hxj s THR 245 Cb 0.00 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 3hxj s THR 245 CO 0.00 -0.26 1.22 -0.70 -0.54 0.00 0.00 174.62 174.34 3hxj s GLU 246 N -3.05 4.24 -0.04 3.99 2.12 -1.26 -0.10 118.70 124.59 3hxj s GLU 246 Ca 0.61 1.60 -0.24 0.00 0.36 0.00 0.00 54.97 57.30 3hxj s GLU 246 Cb -0.11 -3.73 -0.23 0.00 0.26 0.00 0.00 34.13 30.32 3hxj s GLU 246 CO 0.15 -0.68 1.06 -0.22 -0.54 0.00 0.00 175.26 175.03 3hxj h LYS 247 N 8.02 0.17 -2.23 4.30 3.64 -0.79 -3.46 116.57 126.22 3hxj h LYS 247 Ca -0.25 -0.17 0.29 0.00 -1.27 0.00 0.00 60.65 59.24 3hxj h LYS 247 Cb 1.10 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 3hxj h LYS 247 CO 0.97 0.88 0.80 1.67 -2.27 0.00 0.00 179.45 181.50 3hxj s TRP 248 N -3.26 0.04 -0.08 1.91 1.48 -1.13 -5.03 118.94 112.87 3hxj s TRP 248 Ca -0.16 -0.24 -0.14 0.00 -1.06 0.00 0.00 56.10 54.50 3hxj s TRP 248 Cb 0.01 0.60 0.03 0.00 -1.16 0.00 0.00 33.47 32.96 3hxj s TRP 248 CO 0.74 -0.47 0.35 -0.98 -4.06 0.00 0.00 176.95 172.53 3hxj s ARG 249 N -2.08 0.55 -0.21 3.25 1.70 -1.26 -1.37 118.95 119.53 3hxj s ARG 249 Ca 0.26 0.21 -0.01 0.00 -0.47 0.00 0.00 55.73 55.73 3hxj s ARG 249 Cb -0.01 0.25 0.02 0.00 -0.57 0.00 0.00 34.95 34.64 3hxj s ARG 249 CO 0.01 -0.11 -0.13 0.12 -1.08 0.00 0.00 175.30 174.10 3hxj s PHE 250 N -0.49 2.90 0.17 5.89 2.19 0.12 -4.93 117.98 123.83 3hxj s PHE 250 Ca -0.06 -1.48 -0.22 0.00 0.33 0.00 0.00 56.93 55.50 3hxj s PHE 250 Cb -0.04 -1.99 -0.08 0.00 -1.31 0.00 0.00 43.02 39.60 3hxj s PHE 250 CO 0.02 -0.73 0.72 0.21 1.83 0.00 0.00 175.22 177.27 3hxj s LYS 251 N 1.34 4.38 0.00 10.12 2.20 -1.26 -0.79 119.74 135.73 3hxj s LYS 251 Ca 0.04 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 3hxj s LYS 251 Cb -0.14 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 3hxj s LYS 251 CO -0.09 0.52 0.00 0.25 -0.36 0.00 0.00 175.35 175.68 3hxj n THR 252 N 1.31 0.00 -0.96 3.43 -2.24 -0.72 -4.99 114.28 110.11 3hxj n THR 252 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3hxj n THR 252 Cb 0.50 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.38 0.76 3.03 3.38 0.00 -1.25 -5.00 105.19 107.50 3hxj n GLY 253 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.13 1.37 0.39 1.61 -0.14 -1.26 -4.97 119.74 116.60 3hxj s LYS 254 Ca 0.00 -0.39 -0.27 0.00 -1.36 0.00 0.00 55.97 53.95 3hxj s LYS 254 Cb 0.00 -1.20 -0.11 0.00 -1.68 0.00 0.00 37.83 34.84 3hxj s LYS 254 CO 0.00 0.10 1.42 2.89 -0.76 0.00 0.00 175.35 179.00 3hxj n ARG 255 N 3.49 2.43 -3.88 1.68 1.85 -1.26 -3.89 116.66 117.06 3hxj n ARG 255 Ca -0.20 0.85 -0.35 0.00 -1.00 0.00 0.00 57.85 57.15 3hxj n ARG 255 Cb 0.53 -2.57 -0.14 0.00 -1.05 0.00 0.00 32.46 29.24 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 -1.13 3.61 -1.36 8.89 -1.09 -1.14 -0.88 121.20 128.10 3hxj s ILE 256 Ca 0.56 -0.41 0.14 0.00 -2.23 0.00 0.00 60.65 58.70 3hxj s ILE 256 Cb -0.49 -2.65 0.31 0.00 -1.58 0.00 0.00 42.46 38.04 3hxj s ILE 256 CO 0.62 0.40 1.22 -0.62 -1.23 0.00 0.00 174.94 175.33 3hxj n GLU 257 N 4.80 2.29 -4.24 2.79 1.02 -1.26 -3.79 120.64 122.25 3hxj n GLU 257 Ca -0.18 -1.95 -0.15 0.00 -0.02 0.00 0.00 57.16 54.86 3hxj n GLU 257 Cb 0.51 -1.32 -0.10 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.05 1.77 0.73 1.62 1.04 -1.26 -4.92 113.70 111.62 3hxj s SER 258 Ca 0.26 -0.95 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 3hxj s SER 258 Cb 0.14 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.28 3hxj s SER 258 CO 0.19 -0.29 1.09 -0.44 0.98 0.00 0.00 173.24 174.77 3hxj s SER 259 N -2.95 4.82 0.53 7.02 0.01 -1.26 -4.75 113.70 117.11 3hxj s SER 259 Ca 0.14 1.80 -0.03 0.00 1.31 0.00 0.00 55.95 59.16 3hxj s SER 259 Cb 0.01 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3hxj s SER 259 CO 0.01 -1.82 0.80 -2.16 0.41 0.00 0.00 173.24 170.48 3hxj s PRO 260 N -4.80 3.01 0.03 12.44 0.04 -1.26 -4.52 135.00 139.94 3hxj s PRO 260 Ca 0.61 -0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.48 3hxj s PRO 260 Cb -0.17 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 3hxj s PRO 260 CO 0.53 -0.50 -0.10 0.54 0.04 0.00 0.00 177.00 177.52 3hxj s VAL 261 N -2.80 0.72 -0.14 -0.36 0.11 0.42 -4.76 120.40 113.60 3hxj s VAL 261 Ca 0.51 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.72 3hxj s VAL 261 Cb -0.10 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 3hxj s VAL 261 CO 0.42 -0.11 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.36 3hxj s ILE 262 N -0.85 3.42 0.74 7.04 1.01 -1.26 -0.36 121.20 130.94 3hxj s ILE 262 Ca -0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 3hxj s ILE 262 Cb -0.07 -2.46 0.11 0.00 0.01 0.00 0.00 42.46 40.05 3hxj s ILE 262 CO 0.01 0.52 1.03 -0.83 0.00 0.00 0.00 174.94 175.66 3hxj s GLY 263 N 0.28 1.75 0.00 6.18 0.00 -0.96 -4.92 107.32 109.65 3hxj s GLY 263 Ca -0.07 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.29 3hxj s GLY 263 CO 0.04 -0.84 0.35 0.70 0.00 0.00 0.00 173.10 173.35 3hxj n ASN 264 N -2.97 0.24 0.00 1.64 3.02 -1.26 -1.85 115.26 114.08 3hxj n ASN 264 Ca 0.12 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 3hxj n ASN 264 Cb 0.60 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3hxj n ASN 264 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3hxj n THR 265 N -0.11 0.43 -0.44 3.41 5.66 -1.26 -4.99 114.28 116.98 3hxj n THR 265 Ca 0.00 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 3hxj n THR 265 Cb 0.06 0.89 0.00 0.00 -1.55 0.00 0.00 70.33 69.73 3hxj n THR 265 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3hxj n ASP 266 N -0.21 0.00 -4.77 1.09 9.92 -0.77 -5.00 116.55 116.81 3hxj n ASP 266 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.87 3hxj n ASP 266 Cb 0.20 -0.15 -0.02 0.00 -0.64 0.00 0.00 41.12 40.51 3hxj n ASP 266 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3hxj s THR 267 N -3.27 3.10 -0.18 -3.53 2.01 -1.26 -4.25 115.64 108.27 3hxj s THR 267 Ca 0.00 1.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.94 3hxj s THR 267 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3hxj s THR 267 CO 0.00 0.17 0.05 -0.63 -0.69 0.00 0.00 174.62 173.52 3hxj s ILE 268 N -1.29 4.69 0.12 1.82 1.09 -0.08 -2.27 121.20 125.28 3hxj s ILE 268 Ca 0.52 -0.07 0.10 0.00 -1.10 0.00 0.00 60.65 60.11 3hxj s ILE 268 Cb -0.33 -3.10 -0.04 0.00 -1.06 0.00 0.00 42.46 37.92 3hxj s ILE 268 CO 0.43 0.47 -0.26 -0.31 -0.10 0.00 0.00 174.94 175.17 3hxj s TYR 269 N 0.34 2.20 0.03 3.97 1.51 0.51 -0.34 117.35 125.58 3hxj s TYR 269 Ca 0.02 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.41 3hxj s TYR 269 Cb -0.12 -1.20 0.10 0.00 -0.11 0.00 0.00 41.96 40.63 3hxj s TYR 269 CO 0.00 0.31 1.03 -0.59 -1.11 0.00 0.00 175.55 175.20 3hxj s PHE 270 N -1.08 -0.18 -0.02 2.71 -0.71 -0.97 -0.44 117.98 117.29 3hxj s PHE 270 Ca 0.12 0.00 0.02 0.00 -1.04 0.00 0.00 56.93 56.03 3hxj s PHE 270 Cb -0.10 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 3hxj s PHE 270 CO 0.06 -0.55 -0.05 0.20 -1.34 0.00 0.00 175.22 173.53 3hxj s GLY 271 N -2.70 0.34 0.85 1.99 0.00 -1.26 -0.93 107.32 105.60 3hxj s GLY 271 Ca 0.10 -0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.52 3hxj s GLY 271 CO -0.03 0.00 1.13 -1.35 0.00 0.00 0.00 173.10 172.84 3hxj s SER 272 N 0.20 4.05 0.47 1.64 1.04 -0.67 -4.53 113.70 115.90 3hxj s SER 272 Ca -0.02 1.07 0.23 0.00 0.48 0.00 0.00 55.95 57.71 3hxj s SER 272 Cb -0.06 -1.70 1.25 0.00 0.10 0.00 0.00 66.02 65.60 3hxj s SER 272 CO -0.00 -2.22 1.87 0.10 0.98 0.00 0.00 173.24 173.97 3hxj h TYR 273 N -1.27 0.32 -0.10 5.02 -0.00 -1.19 -0.48 116.97 119.27 3hxj h TYR 273 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.25 3hxj h TYR 273 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 37.94 3hxj h TYR 273 CO 0.36 0.08 0.00 -0.40 -0.00 0.00 0.00 178.16 178.20 3hxj n ASP 274 N -4.42 0.78 0.00 0.10 5.75 -1.26 -1.67 116.55 115.83 3hxj n ASP 274 Ca 0.19 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 3hxj n ASP 274 Cb 0.80 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 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 0.89 0.71 3.61 6.12 0.00 -0.19 -3.75 105.19 112.57 3hxj n GLY 275 Ca 0.12 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 2.83 0.28 1.61 5.04 -1.25 -2.99 115.29 118.82 3hxj s HIS 276 Ca 0.00 0.80 -0.19 0.00 -1.54 0.00 0.00 55.06 54.13 3hxj s HIS 276 Cb 0.00 -4.29 -0.09 0.00 0.04 0.00 0.00 32.58 28.24 3hxj s HIS 276 CO 0.00 -1.26 0.77 -0.51 -2.34 0.00 0.00 174.74 171.40 3hxj s LEU 277 N 4.40 4.21 0.02 8.88 1.43 0.68 -1.67 118.68 136.63 3hxj s LEU 277 Ca 0.49 1.43 0.01 0.00 -1.03 0.00 0.00 54.13 55.03 3hxj s LEU 277 Cb -0.09 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 3hxj s LEU 277 CO 0.29 -0.09 -0.05 -0.31 0.23 0.00 0.00 176.35 176.41 3hxj s TYR 278 N -1.75 0.47 -0.19 0.29 2.02 -0.11 -0.83 117.35 117.25 3hxj s TYR 278 Ca 0.49 -0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 56.88 3hxj s TYR 278 Cb -0.14 -0.29 0.05 0.00 -0.40 0.00 0.00 41.96 41.18 3hxj s TYR 278 CO 0.19 -0.06 -0.03 0.00 -1.57 0.00 0.00 175.55 174.08 3hxj s ALA 279 N -0.80 1.51 0.00 3.71 0.00 -0.06 -2.29 121.76 123.83 3hxj s ALA 279 Ca -0.06 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 50.98 3hxj s ALA 279 Cb -0.06 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 3hxj s ALA 279 CO -0.00 -0.99 -0.04 0.42 0.00 0.00 0.00 175.76 175.15 3hxj s ILE 280 N 1.62 3.87 0.52 0.00 1.09 0.54 0.51 121.20 129.36 3hxj s ILE 280 Ca -0.02 -0.71 -0.11 0.00 -1.10 0.00 0.00 60.65 58.72 3hxj s ILE 280 Cb -0.17 -2.71 -0.05 0.00 -1.06 0.00 0.00 42.46 38.47 3hxj s ILE 280 CO -0.07 0.38 0.92 0.20 -0.10 0.00 0.00 174.94 176.26 3hxj s ASN 281 N -1.50 6.39 0.37 3.58 0.01 0.96 -0.90 114.94 123.84 3hxj s ASN 281 Ca 0.18 1.30 0.22 0.00 -0.71 0.00 0.00 52.86 53.85 3hxj s ASN 281 Cb -0.11 -2.40 1.22 0.00 0.41 0.00 0.00 41.25 40.36 3hxj s ASN 281 CO 0.09 -0.65 1.66 1.55 -1.51 0.00 0.00 177.10 178.24 3hxj h PRO 282 N 0.39 0.00 -0.01 -0.60 0.13 -1.87 -0.68 132.00 129.37 3hxj h PRO 282 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hxj h PRO 282 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hxj h PRO 282 CO 0.62 0.00 -0.21 -0.40 -0.23 0.00 0.00 178.00 177.79 3hxj n ASP 283 N -2.32 1.00 0.00 1.44 5.75 -1.26 -4.93 116.55 116.23 3hxj n ASP 283 Ca -0.01 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 3hxj n ASP 283 Cb 0.11 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3hxj n ASP 283 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 284 N 1.31 1.48 3.83 6.12 0.00 -0.26 -5.02 105.19 112.65 3hxj n GLY 284 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3hxj n GLY 284 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 285 N -2.33 4.55 0.27 2.61 -4.23 -1.26 -4.81 115.64 110.45 3hxj s THR 285 Ca 0.00 1.21 -0.29 0.00 -1.18 0.00 0.00 61.69 61.43 3hxj s THR 285 Cb 0.00 -3.69 -0.09 0.00 1.34 0.00 0.00 72.50 70.06 3hxj s THR 285 CO 0.00 -0.12 1.12 -0.70 -0.54 0.00 0.00 174.62 174.38 3hxj s GLU 286 N -2.77 4.61 -0.22 3.99 2.12 -1.26 -0.03 118.70 125.14 3hxj s GLU 286 Ca 0.54 1.83 -0.02 0.00 0.36 0.00 0.00 54.97 57.68 3hxj s GLU 286 Cb -0.12 -3.19 -0.20 0.00 0.26 0.00 0.00 34.13 30.89 3hxj s GLU 286 CO 0.17 0.16 -0.05 1.17 -0.54 0.00 0.00 175.26 176.18 3hxj n LYS 287 N 1.29 0.68 -3.60 4.30 4.81 0.18 -4.79 118.16 121.03 3hxj n LYS 287 Ca -0.01 0.20 -0.03 0.00 -0.87 0.00 0.00 58.31 57.61 3hxj n LYS 287 Cb 0.45 -1.58 -0.02 0.00 0.02 0.00 0.00 35.03 33.90 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 -2.53 -0.10 -0.00 5.64 1.48 -1.01 -4.79 118.94 117.62 3hxj s TRP 288 Ca -0.31 0.03 -0.04 0.00 -1.06 0.00 0.00 56.10 54.72 3hxj s TRP 288 Cb 0.08 0.53 -0.00 0.00 -1.16 0.00 0.00 33.47 32.92 3hxj s TRP 288 CO 0.65 -0.23 0.08 0.54 -4.06 0.00 0.00 176.95 173.93 3hxj s ASN 289 N -2.44 0.05 -0.08 -2.66 2.20 0.29 -0.88 114.94 111.41 3hxj s ASN 289 Ca 0.11 -0.17 -0.03 0.00 -0.94 0.00 0.00 52.86 51.83 3hxj s ASN 289 Cb 0.01 0.18 0.05 0.00 -2.00 0.00 0.00 41.25 39.48 3hxj s ASN 289 CO -0.04 -0.26 0.17 0.12 -2.94 0.00 0.00 177.10 174.15 3hxj s PHE 290 N -1.00 -0.21 -0.33 1.54 5.36 -0.01 -1.06 117.98 122.26 3hxj s PHE 290 Ca -0.11 0.61 -0.21 0.00 -0.96 0.00 0.00 56.93 56.26 3hxj s PHE 290 Cb -0.06 -0.15 -0.00 0.00 -0.34 0.00 0.00 43.02 42.47 3hxj s PHE 290 CO 0.00 -0.24 0.67 -1.21 -1.46 0.00 0.00 175.22 172.99 3hxj s GLU 291 N 1.81 3.80 0.08 10.12 2.02 -1.26 -0.23 118.70 135.03 3hxj s GLU 291 Ca -0.03 0.24 0.23 0.00 0.02 0.00 0.00 54.97 55.44 3hxj s GLU 291 Cb -0.12 -3.77 0.12 0.00 0.10 0.00 0.00 34.13 30.47 3hxj s GLU 291 CO -0.06 -0.69 1.10 0.25 0.02 0.00 0.00 175.26 175.88 3hxj n THR 292 N 5.55 0.26 -1.09 3.63 -2.24 -1.16 -4.95 114.28 114.28 3hxj n THR 292 Ca 0.00 -0.29 -0.03 0.00 -2.27 0.00 0.00 64.05 61.46 3hxj n THR 292 Cb 0.49 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 3hxj n THR 292 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxj n GLY 293 N 1.34 0.43 2.96 3.38 0.00 -1.26 -4.94 105.19 107.09 3hxj n GLY 293 Ca 0.02 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.17 3.71 0.24 1.61 0.01 -1.25 -5.01 113.70 110.84 3hxj s SER 294 Ca 0.00 -1.09 -0.31 0.00 1.31 0.00 0.00 55.95 55.87 3hxj s SER 294 Cb 0.00 -1.20 -0.14 0.00 0.21 0.00 0.00 66.02 64.88 3hxj s SER 294 CO 0.00 -0.21 1.18 0.79 0.41 0.00 0.00 173.24 175.41 3hxj n TRP 295 N 4.67 1.55 -5.03 2.43 7.02 -1.25 -3.51 117.44 123.33 3hxj n TRP 295 Ca -0.13 0.62 -0.29 0.00 -1.02 0.00 0.00 57.50 56.68 3hxj n TRP 295 Cb 0.45 -2.32 -0.17 0.00 -2.42 0.00 0.00 31.31 26.85 3hxj n TRP 295 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3hxj s ILE 296 N -0.49 1.75 0.00 -0.99 1.01 -0.67 -1.07 121.20 120.74 3hxj s ILE 296 Ca 0.66 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3hxj s ILE 296 Cb -0.74 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3hxj s ILE 296 CO 0.55 0.49 0.00 0.00 0.00 0.00 0.00 174.94 175.98 3hxj n ILE 297 N 3.37 0.00 -1.94 2.92 0.13 -1.26 -4.30 119.36 118.28 3hxj n ILE 297 Ca -0.19 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.12 3hxj n ILE 297 Cb 0.53 -0.31 0.03 0.00 -0.84 0.00 0.00 39.64 39.04 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 -1.35 2.54 0.27 1.51 0.00 -1.26 -4.53 121.76 118.94 3hxj s ALA 298 Ca 0.00 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 3hxj s ALA 298 Cb 0.00 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 3hxj s ALA 298 CO 0.00 -1.10 0.96 0.99 0.00 0.00 0.00 175.76 176.61 3hxj s THR 299 N -2.08 4.03 0.76 0.00 2.01 -1.26 -4.77 115.64 114.33 3hxj s THR 299 Ca 0.70 1.94 -0.11 0.00 0.31 0.00 0.00 61.69 64.53 3hxj s THR 299 Cb -0.23 -4.19 0.05 0.00 0.01 0.00 0.00 72.50 68.14 3hxj s THR 299 CO 0.36 0.38 1.09 -2.16 -0.69 0.00 0.00 174.62 173.60 3hxj s PRO 300 N -1.46 2.34 0.10 4.92 0.04 -1.26 -4.71 135.00 134.97 3hxj s PRO 300 Ca 0.44 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.67 3hxj s PRO 300 Cb -0.25 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3hxj s PRO 300 CO 0.31 -1.58 -0.07 0.14 0.04 0.00 0.00 177.00 175.84 3hxj s VAL 301 N -2.88 0.77 0.01 -0.36 -7.23 -0.56 -4.45 120.40 105.70 3hxj s VAL 301 Ca 0.61 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.94 3hxj s VAL 301 Cb -0.17 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 3hxj s VAL 301 CO 0.55 -0.81 -0.13 0.27 -0.31 0.00 0.00 175.10 174.67 3hxj s ILE 302 N -3.38 1.04 0.30 -0.62 -4.36 -0.61 0.11 121.20 113.67 3hxj s ILE 302 Ca 0.11 -0.72 0.04 0.00 -0.26 0.00 0.00 60.65 59.81 3hxj s ILE 302 Cb 0.04 -0.90 0.05 0.00 1.25 0.00 0.00 42.46 42.90 3hxj s ILE 302 CO -0.03 0.17 0.42 -0.90 0.24 0.00 0.00 174.94 174.83 3hxj n ASP 303 N 2.43 0.94 -0.33 4.36 5.68 -0.73 -0.57 116.55 128.33 3hxj n ASP 303 Ca -0.16 -1.70 0.07 0.00 -0.50 0.00 0.00 54.79 52.50 3hxj n ASP 303 Cb 0.55 -0.23 0.22 0.00 -1.14 0.00 0.00 41.12 40.52 3hxj n ASP 303 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3hxj h GLU 304 N 0.00 0.80 0.00 0.11 4.11 -1.91 -0.44 114.58 117.24 3hxj h GLU 304 Ca -0.14 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.24 3hxj h GLU 304 Cb 0.61 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hxj h GLU 304 CO 0.19 0.53 0.00 0.09 0.07 0.00 0.00 179.01 179.88 3hxj n ASN 305 N -4.73 0.00 0.00 3.06 3.02 -1.26 -4.86 115.26 110.48 3hxj n ASN 305 Ca 0.17 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3hxj n ASN 305 Cb 0.38 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3hxj n ASN 305 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hxj n GLY 306 N 0.76 0.74 3.71 7.41 0.00 -0.17 -5.03 105.19 112.60 3hxj n GLY 306 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.12 4.25 0.02 2.61 2.01 -1.26 -4.71 115.64 116.45 3hxj s THR 307 Ca 0.00 1.62 -0.15 0.00 0.31 0.00 0.00 61.69 63.47 3hxj s THR 307 Cb 0.00 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 3hxj s THR 307 CO 0.00 0.13 0.43 -0.63 -0.69 0.00 0.00 174.62 173.86 3hxj s ILE 308 N 1.03 5.00 -0.10 1.82 1.01 -0.90 -1.77 121.20 127.29 3hxj s ILE 308 Ca 0.57 0.83 0.01 0.00 0.00 0.00 0.00 60.65 62.07 3hxj s ILE 308 Cb -0.27 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.49 3hxj s ILE 308 CO 0.29 0.53 -0.13 -0.31 0.00 0.00 0.00 174.94 175.32 3hxj s TYR 309 N -1.13 1.72 -0.32 3.97 2.02 0.12 -0.18 117.35 123.54 3hxj s TYR 309 Ca 0.26 -0.77 -0.06 0.00 -0.37 0.00 0.00 57.07 56.12 3hxj s TYR 309 Cb -0.17 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 3hxj s TYR 309 CO 0.15 -0.42 0.09 -0.06 -1.57 0.00 0.00 175.55 173.73 3hxj s PHE 310 N 1.03 3.20 0.05 2.71 0.40 0.34 -1.50 117.98 124.21 3hxj s PHE 310 Ca -0.07 -1.25 -0.22 0.00 -0.60 0.00 0.00 56.93 54.80 3hxj s PHE 310 Cb -0.15 -2.26 -0.06 0.00 0.51 0.00 0.00 43.02 41.06 3hxj s PHE 310 CO -0.01 -0.67 0.65 0.20 0.70 0.00 0.00 175.22 176.08 3hxj s GLY 311 N 1.44 2.70 0.24 4.36 0.00 -1.26 -1.12 107.32 113.69 3hxj s GLY 311 Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 44.72 44.92 3hxj s GLY 311 CO 0.02 0.76 0.17 -0.51 0.00 0.00 0.00 173.10 173.54 3hxj s THR 312 N -0.53 4.34 0.32 0.90 -4.23 -0.24 -4.31 115.64 111.90 3hxj s THR 312 Ca 0.33 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 3hxj s THR 312 Cb -0.20 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 70.60 3hxj s THR 312 CO 0.20 -0.33 1.93 0.03 -0.54 0.00 0.00 174.62 175.92 3hxj h ARG 313 N 1.63 0.90 -0.99 3.99 3.08 -1.40 -2.60 114.38 118.98 3hxj h ARG 313 Ca -0.48 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.50 3hxj h ARG 313 Cb 1.24 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3hxj h ARG 313 CO 0.61 0.60 0.01 0.27 -1.07 0.00 0.00 179.97 180.39 3hxj n ASN 314 N -4.48 2.33 0.00 7.04 2.04 -1.26 -4.82 115.26 116.11 3hxj n ASN 314 Ca 0.12 -2.05 0.00 0.00 -0.44 0.00 0.00 54.58 52.21 3hxj n ASN 314 Cb 0.19 -0.51 0.00 0.00 -2.53 0.00 0.00 39.78 36.93 3hxj n ASN 314 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hxj n GLY 315 N 0.28 0.95 3.91 4.83 0.00 -0.98 -5.03 105.19 109.16 3hxj n GLY 315 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3hxj n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hxj s LYS 316 N -0.11 2.87 -0.03 1.61 1.02 -1.26 -4.68 119.74 119.16 3hxj s LYS 316 Ca 0.00 0.07 -0.00 0.00 0.02 0.00 0.00 55.97 56.05 3hxj s LYS 316 Cb 0.00 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.12 3hxj s LYS 316 CO 0.00 -0.79 0.04 -0.06 -0.92 0.00 0.00 175.35 173.62 3hxj s PHE 317 N -3.07 0.01 -0.21 3.18 0.08 -0.51 -1.07 117.98 116.38 3hxj s PHE 317 Ca 0.55 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.74 3hxj s PHE 317 Cb -0.11 -0.23 -0.01 0.00 -0.57 0.00 0.00 43.02 42.11 3hxj s PHE 317 CO 0.46 -0.10 -0.06 0.71 -0.10 0.00 0.00 175.22 176.14 3hxj s TYR 318 N 1.13 2.94 -0.12 0.36 2.02 -0.27 0.59 117.35 123.99 3hxj s TYR 318 Ca -0.09 -0.95 -0.07 0.00 -0.37 0.00 0.00 57.07 55.59 3hxj s TYR 318 Cb -0.13 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 3hxj s TYR 318 CO -0.03 -0.54 0.13 0.00 -1.57 0.00 0.00 175.55 173.54 3hxj s ALA 319 N 1.40 3.82 -0.14 3.71 0.00 -0.30 -0.51 121.76 129.74 3hxj s ALA 319 Ca 0.05 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3hxj s ALA 319 Cb -0.14 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.05 3hxj s ALA 319 CO -0.03 0.60 -0.22 -0.51 0.00 0.00 0.00 175.76 175.60 3hxj s LEU 320 N -0.98 2.13 0.10 0.00 1.43 0.74 -1.39 118.68 120.71 3hxj s LEU 320 Ca 0.15 -0.60 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 3hxj s LEU 320 Cb -0.12 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3hxj s LEU 320 CO 0.04 0.07 -0.17 -0.36 0.23 0.00 0.00 176.35 176.16 3hxj s PHE 321 N 0.85 2.56 0.00 0.29 0.40 0.46 -2.11 117.98 120.42 3hxj s PHE 321 Ca -0.06 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 3hxj s PHE 321 Cb -0.15 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.00 3hxj s PHE 321 CO -0.03 0.36 0.00 0.27 0.70 0.00 0.00 175.22 176.53