#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsj s LYS 2 N 0.00 4.38 -0.01 2.12 -0.14 -1.26 -4.89 119.74 119.94 1xsj s LYS 2 Ca 0.00 1.59 -0.06 0.00 -1.36 0.00 0.00 55.97 56.14 1xsj s LYS 2 Cb 0.00 -3.54 -0.02 0.00 -1.68 0.00 0.00 37.83 32.59 1xsj s LYS 2 CO 0.00 -0.39 -0.13 -0.89 -0.76 0.00 0.00 175.35 173.18 1xsj n ILE 3 N 4.54 1.25 -1.93 2.17 5.41 -1.26 -4.85 119.36 124.69 1xsj n ILE 3 Ca 0.10 0.26 -0.32 0.00 1.00 0.00 0.00 62.75 63.79 1xsj n ILE 3 Cb 0.47 -1.84 0.02 0.00 -0.71 0.00 0.00 39.64 37.57 1xsj n ILE 3 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xsj s SER 4 N -5.96 5.75 -0.65 4.38 1.04 -1.26 -1.01 113.70 116.00 1xsj s SER 4 Ca -0.11 1.72 0.04 0.00 0.48 0.00 0.00 55.95 58.08 1xsj s SER 4 Cb 0.02 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.78 1xsj s SER 4 CO 0.16 -1.19 0.42 -0.62 0.98 0.00 0.00 173.24 173.00 1xsj s ASP 5 N -3.15 4.72 0.09 7.02 2.15 0.74 -4.35 116.67 123.89 1xsj s ASP 5 Ca 0.61 -3.52 0.00 0.00 0.43 0.00 0.00 52.55 50.07 1xsj s ASP 5 Cb -0.15 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 1xsj s ASP 5 CO 0.42 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.88 1xsj n GLY 6 N 2.44 -2.16 0.27 2.66 0.00 -1.26 -2.71 105.19 104.43 1xsj n GLY 6 Ca 0.14 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.79 1xsj n GLY 6 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xsj h ASN 7 N -0.32 0.14 0.00 1.61 -1.24 -1.96 -3.33 115.58 110.49 1xsj h ASN 7 Ca 0.01 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1xsj h ASN 7 Cb 0.31 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 1xsj h ASN 7 CO 0.00 0.13 -1.94 0.79 -1.29 0.00 0.00 177.43 175.13 1xsj n TRP 8 N -4.49 0.00 -4.57 0.67 7.02 -1.26 -5.01 117.44 109.80 1xsj n TRP 8 Ca -0.01 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.20 1xsj n TRP 8 Cb 0.11 -0.48 -0.09 0.00 -2.42 0.00 0.00 31.31 28.43 1xsj n TRP 8 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1xsj s LEU 9 N -4.44 2.14 0.00 -0.99 1.43 -1.10 -5.03 118.68 110.70 1xsj s LEU 9 Ca -0.07 -1.60 0.08 0.00 -1.03 0.00 0.00 54.13 51.50 1xsj s LEU 9 Cb 0.13 -0.34 -0.02 0.00 0.03 0.00 0.00 46.19 45.98 1xsj s LEU 9 CO 0.84 -0.83 -0.25 -0.63 0.23 0.00 0.00 176.35 175.71 1xsj s ILE 10 N -3.12 1.97 0.28 -0.59 1.01 -1.26 -0.18 121.20 119.30 1xsj s ILE 10 Ca 0.22 -1.15 -0.28 0.00 0.00 0.00 0.00 60.65 59.44 1xsj s ILE 10 Cb 0.04 -1.65 -0.14 0.00 0.01 0.00 0.00 42.46 40.71 1xsj s ILE 10 CO 0.12 0.47 1.00 0.00 0.00 0.00 0.00 174.94 176.53 1xsj n GLN 11 N 2.24 1.27 -1.75 2.79 1.13 -0.18 -4.55 117.38 118.33 1xsj n GLN 11 Ca -0.16 0.44 -0.42 0.00 -1.94 0.00 0.00 57.00 54.93 1xsj n GLN 11 Cb 0.52 -1.81 -0.01 0.00 0.11 0.00 0.00 30.24 29.05 1xsj n GLN 11 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1xsj n PRO 12 N 0.83 2.67 -0.96 -1.09 -0.02 -1.26 -2.32 135.00 132.85 1xsj n PRO 12 Ca 0.10 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1xsj n PRO 12 Cb 0.31 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1xsj n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xsj n GLY 13 N 1.48 0.83 3.72 -1.23 0.00 -1.26 -4.87 105.19 103.86 1xsj n GLY 13 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1xsj n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsj s LEU 14 N 0.00 4.24 -0.15 0.99 1.43 -0.98 -0.87 118.68 123.34 1xsj s LEU 14 Ca 0.00 0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1xsj s LEU 14 Cb 0.00 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1xsj s LEU 14 CO 0.00 0.08 -0.09 0.20 0.23 0.00 0.00 176.35 176.77 1xsj s ASN 15 N 0.52 4.32 -0.02 2.29 0.01 -0.48 -4.88 114.94 116.69 1xsj s ASN 15 Ca 0.18 -0.26 0.06 0.00 -0.71 0.00 0.00 52.86 52.13 1xsj s ASN 15 Cb -0.13 -1.68 -0.02 0.00 0.41 0.00 0.00 41.25 39.82 1xsj s ASN 15 CO 0.05 0.15 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.83 1xsj s LEU 16 N 0.45 2.45 0.09 0.60 1.43 -1.26 -0.99 118.68 121.45 1xsj s LEU 16 Ca -0.07 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1xsj s LEU 16 Cb -0.15 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1xsj s LEU 16 CO 0.04 0.32 -0.12 0.27 0.23 0.00 0.00 176.35 177.09 1xsj s ILE 17 N -0.72 1.06 0.02 -0.59 -4.36 -1.00 -5.01 121.20 110.61 1xsj s ILE 17 Ca 0.11 -1.55 0.01 0.00 -0.26 0.00 0.00 60.65 58.96 1xsj s ILE 17 Cb -0.10 -1.29 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 1xsj s ILE 17 CO 0.01 -0.43 -0.04 -1.00 0.24 0.00 0.00 174.94 173.72 1xsj s HIS 18 N -2.02 0.33 -0.23 1.37 3.76 -1.26 -1.88 115.29 115.35 1xsj s HIS 18 Ca 0.04 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 1xsj s HIS 18 Cb -0.06 -0.21 -0.02 0.00 1.11 0.00 0.00 32.58 33.40 1xsj s HIS 18 CO 0.01 -0.12 1.50 -1.25 -0.85 0.00 0.00 174.74 174.03 1xsj s PRO 19 N -1.16 3.87 -0.00 8.40 0.04 -1.26 -3.72 135.00 141.17 1xsj s PRO 19 Ca -0.11 1.56 0.01 0.00 0.04 0.00 0.00 61.00 62.50 1xsj s PRO 19 Cb -0.08 -3.97 -0.01 0.00 0.04 0.00 0.00 34.50 30.48 1xsj s PRO 19 CO -0.00 -1.19 0.02 1.28 0.04 0.00 0.00 177.00 177.15 1xsj n LEU 20 N 8.04 0.02 -3.66 -3.56 4.77 0.22 -4.61 117.00 118.21 1xsj n LEU 20 Ca 0.17 -0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 1xsj n LEU 20 Cb 0.45 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1xsj n LEU 20 CO 0.64 0.00 0.15 -1.58 -1.33 0.00 0.00 177.39 175.27 1xsj s GLN 21 N -1.47 0.48 0.05 3.23 0.74 -0.99 -4.26 119.66 117.44 1xsj s GLN 21 Ca 0.00 1.07 -0.30 0.00 0.05 0.00 0.00 55.36 56.18 1xsj s GLN 21 Cb 0.00 0.26 -0.08 0.00 1.10 0.00 0.00 33.01 34.29 1xsj s GLN 21 CO 0.03 -0.19 1.65 0.08 -0.55 0.00 0.00 175.29 176.31 1xsj s VAL 22 N 2.02 3.16 -0.21 1.34 1.01 -1.26 -0.98 120.40 125.48 1xsj s VAL 22 Ca -0.07 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 1xsj s VAL 22 Cb -0.09 -3.35 -0.19 0.00 0.00 0.00 0.00 36.38 32.75 1xsj s VAL 22 CO -0.16 -0.01 0.04 0.33 0.00 0.00 0.00 175.10 175.30 1xsj n PHE 23 N 5.86 0.64 -3.66 5.22 7.35 0.18 -4.78 117.46 128.27 1xsj n PHE 23 Ca 0.16 0.19 -0.15 0.00 -0.76 0.00 0.00 57.45 56.89 1xsj n PHE 23 Cb 0.41 -1.08 -0.08 0.00 0.35 0.00 0.00 39.48 39.09 1xsj n PHE 23 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1xsj s GLU 24 N -2.49 0.76 -0.03 -4.13 2.12 -1.09 -5.00 118.70 108.84 1xsj s GLU 24 Ca -0.30 0.34 0.06 0.00 0.36 0.00 0.00 54.97 55.42 1xsj s GLU 24 Cb 0.09 0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.83 1xsj s GLU 24 CO 0.63 -0.18 -0.20 0.08 -0.54 0.00 0.00 175.26 175.05 1xsj s VAL 25 N -0.59 1.63 -0.02 3.70 1.01 -1.26 -0.51 120.40 124.37 1xsj s VAL 25 Ca -0.07 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 1xsj s VAL 25 Cb -0.03 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1xsj s VAL 25 CO 0.04 0.46 0.03 -0.70 0.00 0.00 0.00 175.10 174.93 1xsj s GLU 26 N -0.22 -0.03 -0.11 2.72 2.12 -0.19 -5.00 118.70 117.99 1xsj s GLU 26 Ca 0.01 0.15 -0.21 0.00 0.36 0.00 0.00 54.97 55.28 1xsj s GLU 26 Cb -0.10 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.05 1xsj s GLU 26 CO 0.01 -0.14 0.63 -1.14 -0.54 0.00 0.00 175.26 174.08 1xsj s GLN 27 N 0.86 4.37 -0.48 4.30 0.74 -1.26 -0.54 119.66 127.64 1xsj s GLN 27 Ca -0.07 0.71 0.04 0.00 0.05 0.00 0.00 55.36 56.08 1xsj s GLN 27 Cb -0.10 -3.47 0.13 0.00 1.10 0.00 0.00 33.01 30.66 1xsj s GLN 27 CO -0.02 0.03 0.23 -0.65 -0.55 0.00 0.00 175.29 174.32 1xsj s GLN 28 N 0.97 1.79 3.27 1.67 -0.21 -0.04 -4.99 119.66 122.13 1xsj s GLN 28 Ca 0.33 -2.42 0.00 0.00 0.02 0.00 0.00 55.36 53.29 1xsj s GLN 28 Cb -0.17 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.71 1xsj s GLN 28 CO 0.14 -1.09 0.00 -3.47 -2.12 0.00 0.00 175.29 168.75 1xsj n ASP 29 N 3.34 0.00 -0.75 5.90 4.64 -1.26 -1.51 116.55 126.91 1xsj n ASP 29 Ca 0.05 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.51 1xsj n ASP 29 Cb 0.34 0.00 0.16 0.00 -1.04 0.00 0.00 41.12 40.57 1xsj n ASP 29 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1xsj n ASN 30 N 7.29 2.14 -4.30 1.67 6.94 -1.26 -4.91 115.26 122.83 1xsj n ASN 30 Ca 0.00 -2.11 -0.26 0.00 -0.02 0.00 0.00 54.58 52.20 1xsj n ASN 30 Cb 0.00 -0.32 -0.13 0.00 -2.36 0.00 0.00 39.78 36.97 1xsj n ASN 30 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1xsj s GLU 31 N -1.62 1.26 -0.14 -3.83 2.02 -0.57 -4.66 118.70 111.16 1xsj s GLU 31 Ca 0.23 -1.16 0.01 0.00 0.02 0.00 0.00 54.97 54.07 1xsj s GLU 31 Cb 0.13 -1.54 -0.00 0.00 0.10 0.00 0.00 34.13 32.82 1xsj s GLU 31 CO 0.13 0.37 -0.17 1.41 0.02 0.00 0.00 175.26 177.02 1xsj s MET 32 N -1.77 3.18 -0.15 1.61 -2.45 -0.10 -0.86 119.30 118.75 1xsj s MET 32 Ca 0.08 -0.78 -0.02 0.00 -1.25 0.00 0.00 55.69 53.73 1xsj s MET 32 Cb -0.10 -2.55 -0.02 0.00 1.25 0.00 0.00 34.83 33.41 1xsj s MET 32 CO 0.04 0.05 -0.08 0.08 1.05 0.00 0.00 175.02 176.16 1xsj s VAL 33 N 0.71 3.42 -0.18 10.11 1.01 0.30 0.01 120.40 135.78 1xsj s VAL 33 Ca -0.08 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1xsj s VAL 33 Cb -0.16 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1xsj s VAL 33 CO 0.01 0.50 -0.17 -0.69 0.00 0.00 0.00 175.10 174.75 1xsj s VAL 34 N 0.54 2.36 -0.16 2.92 1.01 0.59 -1.02 120.40 126.62 1xsj s VAL 34 Ca -0.06 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 1xsj s VAL 34 Cb -0.15 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1xsj s VAL 34 CO 0.03 0.52 0.58 -0.31 0.00 0.00 0.00 175.10 175.91 1xsj s TYR 35 N 1.26 3.43 -0.06 5.22 2.02 0.34 -1.36 117.35 128.21 1xsj s TYR 35 Ca 0.04 0.92 -0.00 0.00 -0.37 0.00 0.00 57.07 57.66 1xsj s TYR 35 Cb -0.14 -2.71 0.02 0.00 -0.40 0.00 0.00 41.96 38.74 1xsj s TYR 35 CO -0.10 -0.04 -0.03 0.00 -1.57 0.00 0.00 175.55 173.81 1xsj s ALA 36 N 1.40 0.74 0.34 3.71 0.00 -0.13 0.47 121.76 128.29 1xsj s ALA 36 Ca 0.28 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 1xsj s ALA 36 Cb -0.16 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1xsj s ALA 36 CO 0.11 -0.23 0.64 0.00 0.00 0.00 0.00 175.76 176.28 1xsj s ALA 37 N 1.42 3.52 -1.54 0.00 0.00 -0.15 -0.72 121.76 124.28 1xsj s ALA 37 Ca -0.03 -0.44 0.09 0.00 0.00 0.00 0.00 51.96 51.58 1xsj s ALA 37 Cb -0.13 -2.45 0.33 0.00 0.00 0.00 0.00 23.12 20.87 1xsj s ALA 37 CO -0.03 0.12 1.19 -0.35 0.00 0.00 0.00 175.76 176.69 1xsj n PRO 38 N -1.15 2.14 -3.82 0.00 -0.04 -1.24 -0.61 135.00 130.27 1xsj n PRO 38 Ca -0.00 -1.31 -0.08 0.00 -0.04 0.00 0.00 63.50 62.07 1xsj n PRO 38 Cb 0.54 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 1xsj n PRO 38 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1xsj s ARG 39 N -1.63 2.02 -0.31 0.54 1.70 -1.26 -4.73 118.95 115.26 1xsj s ARG 39 Ca 0.24 -1.27 -0.29 0.00 -0.47 0.00 0.00 55.73 53.94 1xsj s ARG 39 Cb 0.14 0.58 -0.02 0.00 -0.57 0.00 0.00 34.95 35.09 1xsj s ARG 39 CO 0.13 -0.94 1.68 0.34 -1.08 0.00 0.00 175.30 175.43 1xsj s ASP 40 N -3.10 6.10 -0.26 -2.89 -1.08 -1.26 -4.67 116.67 109.52 1xsj s ASP 40 Ca 0.16 1.31 0.09 0.00 -0.52 0.00 0.00 52.55 53.59 1xsj s ASP 40 Cb -0.05 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.34 1xsj s ASP 40 CO 0.10 -1.54 1.32 1.33 0.52 0.00 0.00 175.17 176.90 1xsj n VAL 41 N 7.10 2.40 -0.01 1.11 0.24 -1.26 -4.75 118.33 123.16 1xsj n VAL 41 Ca 0.21 -3.21 -0.05 0.00 -2.04 0.00 0.00 64.34 59.25 1xsj n VAL 41 Cb 0.46 -0.40 0.16 0.00 -1.47 0.00 0.00 33.84 32.59 1xsj n VAL 41 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1xsj h ARG 42 N 1.18 0.56 -6.19 7.34 3.08 -1.94 -3.43 114.38 114.97 1xsj h ARG 42 Ca 0.14 -0.22 -0.58 0.00 0.07 0.00 0.00 59.98 59.39 1xsj h ARG 42 Cb 1.29 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.27 1xsj h ARG 42 CO 0.27 0.77 -0.19 -1.21 -1.07 0.00 0.00 179.97 178.54 1xsj s GLU 43 N -4.50 3.84 0.42 0.04 2.02 -1.26 -5.00 118.70 114.25 1xsj s GLU 43 Ca -0.07 0.29 0.13 0.00 0.02 0.00 0.00 54.97 55.33 1xsj s GLU 43 Cb 0.13 -2.96 0.90 0.00 0.10 0.00 0.00 34.13 32.30 1xsj s GLU 43 CO 0.80 0.52 1.94 0.00 0.02 0.00 0.00 175.26 178.55 1xsj h ARG 44 N 3.63 0.05 -0.15 1.61 3.08 -1.98 -1.38 114.38 119.24 1xsj h ARG 44 Ca -0.49 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.59 1xsj h ARG 44 Cb 1.19 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1xsj h ARG 44 CO 0.66 0.26 0.24 0.00 -1.07 0.00 0.00 179.97 180.07 1xsj h THR 45 N 0.04 0.27 -0.12 2.04 1.03 -1.95 -0.59 112.91 113.64 1xsj h THR 45 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.41 1xsj h THR 45 Cb 0.41 0.79 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1xsj h THR 45 CO 0.03 0.00 0.00 0.79 -0.01 0.00 0.00 175.52 176.33 1xsj n TRP 46 N -3.46 0.13 -1.10 0.00 7.02 -0.52 -4.55 117.44 114.96 1xsj n TRP 46 Ca 0.01 -0.09 -0.18 0.00 -1.02 0.00 0.00 57.50 56.22 1xsj n TRP 46 Cb 0.35 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.20 1xsj n TRP 46 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1xsj n GLN 47 N 1.01 1.99 -3.63 -0.99 6.02 -0.23 -4.81 117.38 116.74 1xsj n GLN 47 Ca 0.12 -1.61 -0.05 0.00 -0.01 0.00 0.00 57.00 55.45 1xsj n GLN 47 Cb 0.46 -1.82 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 1xsj n GLN 47 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1xsj s LEU 48 N -1.46 -0.23 -1.33 1.08 0.05 -1.26 -5.00 118.68 110.54 1xsj s LEU 48 Ca 0.45 -0.18 -0.05 0.00 0.05 0.00 0.00 54.13 54.40 1xsj s LEU 48 Cb 0.29 1.94 0.02 0.00 -2.05 0.00 0.00 46.19 46.38 1xsj s LEU 48 CO -0.09 -0.66 0.94 0.47 -0.55 0.00 0.00 176.35 176.46 1xsj n ASP 49 N -0.35 -3.18 -3.72 1.48 8.00 -1.26 -5.00 116.55 112.51 1xsj n ASP 49 Ca -0.07 -0.70 -0.14 0.00 0.71 0.00 0.00 54.79 54.60 1xsj n ASP 49 Cb 0.61 -4.53 -0.09 0.00 -0.02 0.00 0.00 41.12 37.09 1xsj n ASP 49 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xsj s THR 50 N -3.44 0.02 1.08 -3.53 -1.32 -1.26 -5.15 115.64 102.03 1xsj s THR 50 Ca 0.25 -0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.45 1xsj s THR 50 Cb -0.12 -0.64 0.23 0.00 -1.51 0.00 0.00 72.50 70.46 1xsj s THR 50 CO 0.78 -0.09 1.01 -2.65 -2.21 0.00 0.00 174.62 171.46 1xsj n PRO 51 N 2.13 -1.67 -3.70 7.08 -0.02 -1.26 -5.07 135.00 132.49 1xsj n PRO 51 Ca -0.17 -0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 60.77 1xsj n PRO 51 Cb 0.57 -2.22 -0.11 0.00 -0.02 0.00 0.00 33.50 31.72 1xsj n PRO 51 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xsj s LEU 52 N -6.65 -0.08 0.05 2.45 0.20 -1.26 -4.32 118.68 109.08 1xsj s LEU 52 Ca 0.67 0.85 -0.15 0.00 0.69 0.00 0.00 54.13 56.19 1xsj s LEU 52 Cb -0.24 1.26 -0.06 0.00 -0.43 0.00 0.00 46.19 46.72 1xsj s LEU 52 CO 0.63 -0.19 0.47 -0.36 -0.29 0.00 0.00 176.35 176.60 1xsj s PHE 53 N 1.49 3.72 -0.36 5.38 0.40 0.10 -4.79 117.98 123.93 1xsj s PHE 53 Ca -0.09 1.06 -0.02 0.00 -0.60 0.00 0.00 56.93 57.28 1xsj s PHE 53 Cb -0.09 -2.34 0.08 0.00 0.51 0.00 0.00 43.02 41.18 1xsj s PHE 53 CO -0.12 0.59 0.11 0.99 0.70 0.00 0.00 175.22 177.49 1xsj s THR 54 N -1.17 3.17 -0.20 0.64 2.01 -0.79 -0.96 115.64 118.34 1xsj s THR 54 Ca 0.28 -1.72 -0.12 0.00 0.31 0.00 0.00 61.69 60.44 1xsj s THR 54 Cb -0.17 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1xsj s THR 54 CO 0.16 -0.41 0.21 -0.76 -0.69 0.00 0.00 174.62 173.12 1xsj s LEU 55 N 1.20 4.18 -0.12 4.42 1.02 -0.46 -0.83 118.68 128.09 1xsj s LEU 55 Ca 0.02 0.29 0.02 0.00 0.02 0.00 0.00 54.13 54.49 1xsj s LEU 55 Cb -0.21 -2.21 -0.00 0.00 0.02 0.00 0.00 46.19 43.79 1xsj s LEU 55 CO -0.03 0.10 -0.20 -0.60 0.02 0.00 0.00 176.35 175.64 1xsj s ARG 56 N 0.70 3.15 -0.09 1.70 3.52 0.40 -0.30 118.95 128.02 1xsj s ARG 56 Ca 0.11 -0.82 -0.00 0.00 -0.13 0.00 0.00 55.73 54.89 1xsj s ARG 56 Cb -0.13 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.81 1xsj s ARG 56 CO 0.02 0.15 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.54 1xsj s PHE 57 N 0.43 2.94 0.18 5.12 0.08 0.10 -1.22 117.98 125.62 1xsj s PHE 57 Ca -0.15 -0.11 -0.18 0.00 0.12 0.00 0.00 56.93 56.61 1xsj s PHE 57 Cb -0.17 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1xsj s PHE 57 CO 0.06 0.20 0.51 -0.59 -0.10 0.00 0.00 175.22 175.31 1xsj s PHE 58 N -0.44 -0.19 -0.13 0.36 -0.71 -0.78 -0.93 117.98 115.16 1xsj s PHE 58 Ca 0.06 -0.13 -0.01 0.00 -1.04 0.00 0.00 56.93 55.82 1xsj s PHE 58 Cb -0.12 0.39 0.03 0.00 -1.21 0.00 0.00 43.02 42.11 1xsj s PHE 58 CO 0.02 -0.87 -0.05 0.45 -1.34 0.00 0.00 175.22 173.43 1xsj s SER 59 N -2.84 2.31 0.19 1.98 0.15 -1.26 -0.02 113.70 114.20 1xsj s SER 59 Ca 0.07 -0.40 0.26 0.00 0.70 0.00 0.00 55.95 56.58 1xsj s SER 59 Cb -0.01 -0.78 0.79 0.00 -1.71 0.00 0.00 66.02 64.32 1xsj s SER 59 CO -0.06 -0.16 1.74 -0.81 1.20 0.00 0.00 173.24 175.15 1xsj n PRO 60 N 4.97 0.25 -3.49 5.44 -0.04 -1.26 -4.65 135.00 136.22 1xsj n PRO 60 Ca -0.11 0.20 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 1xsj n PRO 60 Cb 0.49 -1.78 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 1xsj n PRO 60 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xsj s GLN 61 N -3.10 1.12 0.13 0.54 -1.52 -1.26 -0.87 119.66 114.70 1xsj s GLN 61 Ca 0.10 0.05 -0.35 0.00 -1.95 0.00 0.00 55.36 53.22 1xsj s GLN 61 Cb 0.13 0.52 -0.16 0.00 -0.22 0.00 0.00 33.01 33.28 1xsj s GLN 61 CO 0.60 -0.40 1.22 -1.91 -0.25 0.00 0.00 175.29 174.56 1xsj n GLU 62 N 0.53 1.11 -0.98 2.91 0.00 -1.26 -2.06 120.64 120.89 1xsj n GLU 62 Ca -0.18 0.40 0.00 0.00 0.00 0.00 0.00 57.16 57.38 1xsj n GLU 62 Cb 0.59 -1.95 0.00 0.00 0.00 0.00 0.00 31.44 30.08 1xsj n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xsj n GLY 63 N 2.20 0.49 3.13 8.31 0.00 -1.22 -4.95 105.19 113.15 1xsj n GLY 63 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1xsj n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsj s ILE 64 N -2.14 2.02 -0.24 -0.61 1.01 -0.88 -0.98 121.20 119.39 1xsj s ILE 64 Ca 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 1xsj s ILE 64 Cb 0.00 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1xsj s ILE 64 CO 0.00 0.54 0.04 -0.69 0.00 0.00 0.00 174.94 174.83 1xsj s VAL 65 N 1.17 4.07 0.01 2.92 1.01 0.19 -4.13 120.40 125.64 1xsj s VAL 65 Ca 0.02 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 1xsj s VAL 65 Cb -0.14 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1xsj s VAL 65 CO -0.10 0.36 0.77 -0.83 0.00 0.00 0.00 175.10 175.31 1xsj s GLY 66 N 1.54 2.76 -0.13 4.51 0.00 0.97 -0.72 107.32 116.25 1xsj s GLY 66 Ca 0.06 0.27 0.01 0.00 0.00 0.00 0.00 44.72 45.06 1xsj s GLY 66 CO 0.02 1.17 -0.13 0.14 0.00 0.00 0.00 173.10 174.30 1xsj s VAL 67 N 0.24 1.44 -0.17 1.40 1.01 0.28 -1.86 120.40 122.74 1xsj s VAL 67 Ca 0.40 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1xsj s VAL 67 Cb -0.20 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1xsj s VAL 67 CO 0.22 0.44 -0.19 -0.60 0.00 0.00 0.00 175.10 174.97 1xsj s ARG 68 N 1.40 2.83 -0.20 2.72 3.52 -0.36 -1.30 118.95 127.56 1xsj s ARG 68 Ca 0.02 -0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 54.83 1xsj s ARG 68 Cb -0.13 -2.47 -0.00 0.00 -1.56 0.00 0.00 34.95 30.79 1xsj s ARG 68 CO -0.08 -0.22 -0.09 0.42 -0.81 0.00 0.00 175.30 174.53 1xsj s ILE 69 N 1.33 3.03 0.04 4.11 1.01 -0.02 -0.45 121.20 130.25 1xsj s ILE 69 Ca 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1xsj s ILE 69 Cb -0.13 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 1xsj s ILE 69 CO -0.12 0.46 -0.07 -1.83 0.00 0.00 0.00 174.94 173.38 1xsj s GLU 70 N 1.30 0.47 0.00 2.79 -1.05 -0.01 -0.80 118.70 121.39 1xsj s GLU 70 Ca 0.04 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.16 1xsj s GLU 70 Cb -0.14 -0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.34 1xsj s GLU 70 CO -0.04 0.03 0.00 1.58 0.95 0.00 0.00 175.26 177.78 1xsj n HIS 71 N 1.56 0.00 -3.01 4.83 -0.00 -0.12 -1.89 115.22 116.59 1xsj n HIS 71 Ca -0.23 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.10 1xsj n HIS 71 Cb 0.55 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.48 1xsj n HIS 71 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1xsj s PHE 72 N 0.55 3.79 -2.19 1.57 0.08 -1.25 -4.82 117.98 115.70 1xsj s PHE 72 Ca 0.00 1.49 0.24 0.00 0.12 0.00 0.00 56.93 58.79 1xsj s PHE 72 Cb 0.00 -2.78 0.29 0.00 -0.57 0.00 0.00 43.02 39.97 1xsj s PHE 72 CO 0.00 0.36 1.29 1.04 -0.10 0.00 0.00 175.22 177.81 1xsj n GLN 73 N 2.41 1.37 0.00 0.44 6.02 -1.26 -4.39 117.38 121.97 1xsj n GLN 73 Ca -0.04 -1.05 0.15 0.00 -0.01 0.00 0.00 57.00 56.05 1xsj n GLN 73 Cb 0.50 -1.48 0.72 0.00 1.02 0.00 0.00 30.24 31.00 1xsj n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsj n GLY 74 N 1.37 -0.79 3.74 1.08 0.00 -1.26 -4.92 105.19 104.41 1xsj n GLY 74 Ca 0.12 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1xsj n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsj s ALA 75 N -2.22 2.00 0.14 4.61 0.00 -1.26 -4.96 121.76 120.06 1xsj s ALA 75 Ca 0.37 0.39 -0.19 0.00 0.00 0.00 0.00 51.96 52.53 1xsj s ALA 75 Cb 0.21 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.99 1xsj s ALA 75 CO 0.41 -2.09 1.71 -0.07 0.00 0.00 0.00 175.76 175.72 1xsj h LEU 76 N -1.33 -0.13 -3.49 0.00 3.38 -1.98 -3.48 115.31 108.27 1xsj h LEU 76 Ca -0.43 0.06 -0.34 0.00 0.09 0.00 0.00 57.88 57.26 1xsj h LEU 76 Cb 1.24 0.11 0.02 0.00 0.09 0.00 0.00 40.66 42.12 1xsj h LEU 76 CO 0.48 -0.04 -1.17 0.59 0.09 0.00 0.00 178.44 178.39 1xsj n ASN 77 N -5.17 -5.70 -4.85 -0.43 5.03 -1.26 -5.02 115.26 97.86 1xsj n ASN 77 Ca -0.01 -0.07 -0.21 0.00 0.87 0.00 0.00 54.58 55.15 1xsj n ASN 77 Cb 0.13 -1.78 -0.04 0.00 -1.02 0.00 0.00 39.78 37.08 1xsj n ASN 77 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1xsj s ASN 78 N -1.45 5.49 1.22 6.41 0.01 -1.26 -5.13 114.94 120.23 1xsj s ASN 78 Ca 0.34 -0.33 -0.17 0.00 -0.71 0.00 0.00 52.86 51.99 1xsj s ASN 78 Cb -0.04 -1.24 0.25 0.00 0.41 0.00 0.00 41.25 40.63 1xsj s ASN 78 CO 0.78 -0.19 0.85 0.61 -1.51 0.00 0.00 177.10 177.64 1xsj n GLY 79 N -1.29 -2.85 3.89 0.66 0.00 -1.26 -4.59 105.19 99.74 1xsj n GLY 79 Ca -0.05 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1xsj n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xsj s PRO 80 N -4.93 2.87 0.24 1.61 0.04 -1.26 -0.29 135.00 133.28 1xsj s PRO 80 Ca 0.56 0.41 0.10 0.00 0.04 0.00 0.00 61.00 62.11 1xsj s PRO 80 Cb -0.06 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1xsj s PRO 80 CO 0.43 -0.99 -0.09 -1.01 0.04 0.00 0.00 177.00 175.38 1xsj s HIS 81 N -3.32 2.56 0.53 0.56 3.76 -1.26 -4.86 115.29 113.27 1xsj s HIS 81 Ca 0.58 -0.26 -0.21 0.00 -0.15 0.00 0.00 55.06 55.02 1xsj s HIS 81 Cb -0.11 -1.16 -0.05 0.00 1.11 0.00 0.00 32.58 32.37 1xsj s HIS 81 CO 0.51 0.61 1.29 0.71 -0.85 0.00 0.00 174.74 177.01 1xsj s TYR 82 N -2.18 2.43 -1.52 1.40 2.02 -1.26 -4.88 117.35 113.37 1xsj s TYR 82 Ca 0.29 1.44 -0.12 0.00 -0.37 0.00 0.00 57.07 58.31 1xsj s TYR 82 Cb -0.07 -3.65 -0.04 0.00 -0.40 0.00 0.00 41.96 37.80 1xsj s TYR 82 CO 0.17 -2.48 2.65 -0.35 -1.57 0.00 0.00 175.55 173.97 1xsj n PRO 83 N -1.00 3.29 -2.69 -1.71 -0.04 -1.26 -4.94 135.00 126.64 1xsj n PRO 83 Ca 0.10 -2.31 -0.40 0.00 -0.04 0.00 0.00 63.50 60.86 1xsj n PRO 83 Cb 0.46 -2.97 -0.06 0.00 -0.04 0.00 0.00 33.50 30.90 1xsj n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsj s LEU 84 N 0.92 4.61 -0.74 1.53 1.02 -1.26 -4.76 118.68 120.00 1xsj s LEU 84 Ca 0.60 2.01 -0.23 0.00 0.02 0.00 0.00 54.13 56.53 1xsj s LEU 84 Cb 0.16 -3.64 0.07 0.00 0.02 0.00 0.00 46.19 42.80 1xsj s LEU 84 CO -0.07 0.08 1.09 0.20 0.02 0.00 0.00 176.35 177.67 1xsj s ASN 85 N -1.14 6.26 -0.30 2.29 0.01 0.28 -5.01 114.94 117.32 1xsj s ASN 85 Ca 0.42 -1.08 -0.09 0.00 -0.71 0.00 0.00 52.86 51.40 1xsj s ASN 85 Cb -0.27 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 1xsj s ASN 85 CO 0.33 -1.47 0.13 -0.63 -1.51 0.00 0.00 177.10 173.96 1xsj s ILE 86 N 4.25 4.45 0.25 0.60 -1.09 -1.26 -4.79 121.20 123.61 1xsj s ILE 86 Ca 0.28 -0.46 -0.13 0.00 -2.23 0.00 0.00 60.65 58.11 1xsj s ILE 86 Cb -0.12 -3.26 -0.08 0.00 -1.58 0.00 0.00 42.46 37.42 1xsj s ILE 86 CO 0.07 0.09 0.63 -0.76 -1.23 0.00 0.00 174.94 173.73 1xsj s LEU 87 N 1.59 4.16 0.05 2.97 1.43 -0.05 -5.01 118.68 123.83 1xsj s LEU 87 Ca 0.04 1.11 0.23 0.00 -1.03 0.00 0.00 54.13 54.47 1xsj s LEU 87 Cb -0.17 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.22 1xsj s LEU 87 CO 0.05 -0.09 0.92 0.00 0.23 0.00 0.00 176.35 177.46 1xsj n GLN 88 N -0.05 0.37 -1.02 1.70 1.13 -1.26 -4.56 117.38 113.69 1xsj n GLN 88 Ca 0.01 -0.03 0.04 0.00 -1.94 0.00 0.00 57.00 55.09 1xsj n GLN 88 Cb 0.52 -1.60 0.13 0.00 0.11 0.00 0.00 30.24 29.41 1xsj n GLN 88 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xsj n ASP 89 N -2.06 1.50 -4.75 1.08 5.68 -1.26 -5.00 116.55 111.74 1xsj n ASP 89 Ca 0.01 -3.13 -0.41 0.00 -0.50 0.00 0.00 54.79 50.75 1xsj n ASP 89 Cb 0.46 -0.44 -0.02 0.00 -1.14 0.00 0.00 41.12 39.99 1xsj n ASP 89 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1xsj s VAL 90 N -2.02 2.16 -0.00 2.12 1.01 -1.26 -4.90 120.40 117.50 1xsj s VAL 90 Ca 0.37 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 1xsj s VAL 90 Cb 0.38 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 1xsj s VAL 90 CO -0.11 0.02 1.48 -0.75 0.00 0.00 0.00 175.10 175.75 1xsj s LYS 91 N -0.62 4.25 0.08 2.72 2.20 -1.26 -5.00 119.74 122.11 1xsj s LYS 91 Ca 0.62 2.06 0.01 0.00 -0.36 0.00 0.00 55.97 58.29 1xsj s LYS 91 Cb -0.47 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 1xsj s LYS 91 CO 0.48 -0.65 -0.06 0.14 -0.36 0.00 0.00 175.35 174.91 1xsj s VAL 92 N 2.72 0.55 0.01 4.02 -7.23 -1.26 -4.42 120.40 114.79 1xsj s VAL 92 Ca 0.67 -1.88 0.08 0.00 -1.81 0.00 0.00 61.98 59.05 1xsj s VAL 92 Cb -0.33 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1xsj s VAL 92 CO 0.27 -0.90 -0.26 -0.89 -0.31 0.00 0.00 175.10 173.02 1xsj s THR 93 N -3.65 2.12 -0.09 5.32 2.01 -0.46 -4.99 115.64 115.91 1xsj s THR 93 Ca 0.10 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 60.87 1xsj s THR 93 Cb 0.06 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.81 1xsj s THR 93 CO -0.06 0.48 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.64 1xsj s ILE 94 N -0.71 0.94 -0.08 1.82 1.01 -1.26 -0.63 121.20 122.30 1xsj s ILE 94 Ca 0.11 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1xsj s ILE 94 Cb -0.10 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.43 1xsj s ILE 94 CO 0.00 0.34 -0.18 -1.83 0.00 0.00 0.00 174.94 173.28 1xsj s GLU 95 N 1.37 2.31 -0.42 2.79 -1.05 0.23 -4.99 118.70 118.94 1xsj s GLU 95 Ca -0.02 -0.64 0.03 0.00 -0.15 0.00 0.00 54.97 54.19 1xsj s GLU 95 Cb -0.14 -1.82 0.12 0.00 -0.44 0.00 0.00 34.13 31.86 1xsj s GLU 95 CO -0.04 0.12 0.17 1.21 0.95 0.00 0.00 175.26 177.67 1xsj s ASN 96 N 0.46 4.25 0.40 0.83 2.47 -1.26 -0.35 114.94 121.74 1xsj s ASN 96 Ca -0.16 -2.49 0.05 0.00 0.42 0.00 0.00 52.86 50.68 1xsj s ASN 96 Cb -0.16 -1.39 0.05 0.00 -1.45 0.00 0.00 41.25 38.30 1xsj s ASN 96 CO 0.06 -0.31 0.41 0.35 -3.72 0.00 0.00 177.10 173.89 1xsj n THR 97 N 3.77 0.00 0.11 -5.21 -2.24 0.59 -5.02 114.28 106.29 1xsj n THR 97 Ca 0.05 -1.46 -0.01 0.00 -2.27 0.00 0.00 64.05 60.35 1xsj n THR 97 Cb 0.37 -0.38 0.25 0.00 -2.10 0.00 0.00 70.33 68.47 1xsj n THR 97 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xsj h GLU 98 N 0.00 0.18 0.02 -0.78 4.57 -2.03 -3.28 114.58 113.27 1xsj h GLU 98 Ca -0.22 -0.08 -0.34 0.00 -1.18 0.00 0.00 59.36 57.54 1xsj h GLU 98 Cb 0.89 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.43 1xsj h GLU 98 CO 0.34 0.56 -2.03 0.54 -1.18 0.00 0.00 179.01 177.25 1xsj n ARG 99 N -4.03 0.67 -3.93 1.92 1.74 -1.26 -4.74 116.66 107.03 1xsj n ARG 99 Ca -0.01 0.20 -0.10 0.00 -0.77 0.00 0.00 57.85 57.16 1xsj n ARG 99 Cb 0.47 -1.68 -0.10 0.00 -1.02 0.00 0.00 32.46 30.13 1xsj n ARG 99 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1xsj s TYR 100 N -2.55 0.18 -0.21 -1.55 4.12 -1.24 -0.71 117.35 115.39 1xsj s TYR 100 Ca -0.13 -0.42 -0.01 0.00 0.02 0.00 0.00 57.07 56.53 1xsj s TYR 100 Cb 0.07 -0.13 0.01 0.00 -1.52 0.00 0.00 41.96 40.39 1xsj s TYR 100 CO 0.79 -0.31 -0.12 0.00 0.02 0.00 0.00 175.55 175.94 1xsj s ALA 101 N -2.05 2.58 -0.06 3.71 0.00 -0.58 -0.30 121.76 125.06 1xsj s ALA 101 Ca -0.10 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.64 1xsj s ALA 101 Cb -0.05 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.61 1xsj s ALA 101 CO -0.02 -0.47 -0.13 -2.00 0.00 0.00 0.00 175.76 173.14 1xsj s GLU 102 N 1.37 1.72 -0.16 0.00 2.12 0.53 -1.09 118.70 123.19 1xsj s GLU 102 Ca 0.04 -0.47 -0.00 0.00 0.36 0.00 0.00 54.97 54.91 1xsj s GLU 102 Cb -0.14 -1.44 0.00 0.00 0.26 0.00 0.00 34.13 32.81 1xsj s GLU 102 CO -0.08 0.08 -0.15 0.12 -0.54 0.00 0.00 175.26 174.70 1xsj s PHE 103 N 0.49 2.80 -0.05 5.30 5.36 0.83 -0.60 117.98 132.10 1xsj s PHE 103 Ca -0.12 -1.11 0.02 0.00 -0.96 0.00 0.00 56.93 54.76 1xsj s PHE 103 Cb -0.14 -1.91 0.01 0.00 -0.34 0.00 0.00 43.02 40.63 1xsj s PHE 103 CO 0.03 -0.53 -0.12 0.21 -1.46 0.00 0.00 175.22 173.36 1xsj s LYS 104 N 0.94 1.50 -0.09 10.12 2.20 0.20 -0.11 119.74 134.50 1xsj s LYS 104 Ca -0.03 -0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1xsj s LYS 104 Cb -0.15 -1.28 0.03 0.00 -1.51 0.00 0.00 37.83 34.92 1xsj s LYS 104 CO -0.02 0.07 -0.03 0.45 -0.36 0.00 0.00 175.35 175.46 1xsj s SER 105 N 0.51 1.87 1.84 1.43 0.15 0.99 -1.35 113.70 119.14 1xsj s SER 105 Ca -0.11 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1xsj s SER 105 Cb -0.14 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1xsj s SER 105 CO 0.03 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1xsj n GLY 106 N 5.06 3.79 0.87 9.45 0.00 -1.26 -1.36 105.19 121.74 1xsj n GLY 106 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1xsj n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsj n ASN 107 N 6.02 2.62 -4.39 1.61 3.02 -1.26 -4.90 115.26 117.99 1xsj n ASN 107 Ca 0.00 -1.86 -0.35 0.00 -0.03 0.00 0.00 54.58 52.34 1xsj n ASN 107 Cb 0.00 -0.15 -0.13 0.00 -0.61 0.00 0.00 39.78 38.89 1xsj n ASN 107 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xsj s LEU 108 N -1.62 3.10 0.18 3.41 2.96 -0.46 -1.37 118.68 124.89 1xsj s LEU 108 Ca 0.35 -0.29 0.10 0.00 -0.22 0.00 0.00 54.13 54.08 1xsj s LEU 108 Cb 0.20 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1xsj s LEU 108 CO 0.30 0.03 -0.22 -0.94 -1.32 0.00 0.00 176.35 174.20 1xsj s SER 109 N 1.22 3.13 -0.13 3.68 1.04 -0.29 -0.01 113.70 122.33 1xsj s SER 109 Ca 0.03 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.58 1xsj s SER 109 Cb -0.15 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 1xsj s SER 109 CO 0.00 0.06 -0.08 0.00 0.98 0.00 0.00 173.24 174.20 1xsj s ALA 110 N -1.82 2.84 -0.09 5.32 0.00 0.84 -0.59 121.76 128.25 1xsj s ALA 110 Ca 0.19 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1xsj s ALA 110 Cb -0.07 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.70 1xsj s ALA 110 CO 0.09 0.27 -0.10 0.50 0.00 0.00 0.00 175.76 176.51 1xsj s ARG 111 N 0.22 1.68 -0.15 0.00 3.52 0.30 -0.12 118.95 124.40 1xsj s ARG 111 Ca -0.05 -0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 55.13 1xsj s ARG 111 Cb -0.15 -1.56 -0.04 0.00 -1.56 0.00 0.00 34.95 31.65 1xsj s ARG 111 CO 0.04 -0.13 0.07 0.08 -0.81 0.00 0.00 175.30 174.54 1xsj s VAL 112 N 1.21 4.84 -0.05 7.11 1.01 -0.25 -0.74 120.40 133.53 1xsj s VAL 112 Ca -0.04 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 1xsj s VAL 112 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1xsj s VAL 112 CO -0.03 0.52 0.65 -0.44 0.00 0.00 0.00 175.10 175.80 1xsj s SER 113 N -0.11 6.96 0.66 3.32 0.01 -0.68 -1.53 113.70 122.33 1xsj s SER 113 Ca 0.07 1.15 -0.06 0.00 1.31 0.00 0.00 55.95 58.42 1xsj s SER 113 Cb -0.12 -2.39 0.05 0.00 0.21 0.00 0.00 66.02 63.77 1xsj s SER 113 CO 0.01 -0.05 0.97 -0.54 0.41 0.00 0.00 173.24 174.03 1xsj s LYS 114 N 0.54 2.40 2.05 12.44 1.02 0.11 -4.14 119.74 134.16 1xsj s LYS 114 Ca 0.35 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.10 1xsj s LYS 114 Cb -0.18 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 1xsj s LYS 114 CO 0.17 -1.06 0.00 0.41 -0.92 0.00 0.00 175.35 173.95 1xsj n GLY 115 N -2.79 -1.21 0.27 -3.33 0.00 -1.26 -4.39 105.19 92.47 1xsj n GLY 115 Ca 0.07 -1.33 0.13 0.00 0.00 0.00 0.00 46.02 44.89 1xsj n GLY 115 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsj h GLU 116 N 0.00 0.00 -3.28 1.61 4.81 -1.93 -3.37 114.58 112.43 1xsj h GLU 116 Ca 0.00 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.58 1xsj h GLU 116 Cb 0.00 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 28.98 1xsj h GLU 116 CO 0.00 0.11 -0.49 -0.06 -0.73 0.00 0.00 179.01 177.84 1xsj s PHE 117 N -4.24 3.48 0.39 0.92 0.08 -1.26 -5.04 117.98 112.31 1xsj s PHE 117 Ca -0.03 -3.16 -0.27 0.00 0.12 0.00 0.00 56.93 53.59 1xsj s PHE 117 Cb 0.13 -2.89 -0.11 0.00 -0.57 0.00 0.00 43.02 39.58 1xsj s PHE 117 CO 0.58 -0.67 1.42 1.87 -0.10 0.00 0.00 175.22 178.32 1xsj n TRP 118 N 2.57 2.72 -3.59 0.36 -0.00 -1.26 -4.72 117.44 113.53 1xsj n TRP 118 Ca 0.14 0.47 -0.16 0.00 -0.00 0.00 0.00 57.50 57.95 1xsj n TRP 118 Cb 0.35 -2.48 -0.07 0.00 -0.00 0.00 0.00 31.31 29.11 1xsj n TRP 118 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xsj s SER 119 N -0.27 -0.63 -0.21 5.87 0.15 -1.26 -4.13 113.70 113.22 1xsj s SER 119 Ca 0.56 0.89 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1xsj s SER 119 Cb -0.49 0.82 0.05 0.00 -1.71 0.00 0.00 66.02 64.69 1xsj s SER 119 CO 0.62 -0.46 -0.05 -0.22 1.20 0.00 0.00 173.24 174.33 1xsj s LEU 120 N -0.64 2.21 -0.04 3.45 0.20 -0.80 -1.69 118.68 121.37 1xsj s LEU 120 Ca -0.07 -1.02 0.06 0.00 0.69 0.00 0.00 54.13 53.79 1xsj s LEU 120 Cb -0.02 -1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 44.66 1xsj s LEU 120 CO 0.06 -0.23 -0.21 -1.81 -0.29 0.00 0.00 176.35 173.87 1xsj s ASP 121 N 1.49 2.60 -0.26 3.68 1.01 0.08 0.37 116.67 125.65 1xsj s ASP 121 Ca -0.04 -0.42 -0.10 0.00 0.71 0.00 0.00 52.55 52.70 1xsj s ASP 121 Cb -0.18 -0.59 -0.05 0.00 1.01 0.00 0.00 42.92 43.11 1xsj s ASP 121 CO -0.07 0.22 0.17 -0.36 0.21 0.00 0.00 175.17 175.34 1xsj s PHE 122 N -0.20 3.26 -0.02 4.23 0.08 -0.49 -0.54 117.98 124.30 1xsj s PHE 122 Ca -0.00 0.14 0.06 0.00 0.12 0.00 0.00 56.93 57.24 1xsj s PHE 122 Cb -0.11 -2.31 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 1xsj s PHE 122 CO 0.02 -0.06 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.37 1xsj s LEU 123 N 1.39 2.44 -0.27 -0.37 1.02 0.24 -0.38 118.68 122.76 1xsj s LEU 123 Ca 0.07 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.89 1xsj s LEU 123 Cb -0.15 -1.46 0.05 0.00 0.02 0.00 0.00 46.19 44.65 1xsj s LEU 123 CO 0.07 0.32 -0.07 -0.60 0.02 0.00 0.00 176.35 176.10 1xsj s ARG 124 N -0.78 2.45 -1.57 1.70 3.52 0.13 -1.14 118.95 123.25 1xsj s ARG 124 Ca 0.11 -1.23 -0.15 0.00 -0.13 0.00 0.00 55.73 54.34 1xsj s ARG 124 Cb -0.10 -2.99 0.10 0.00 -1.56 0.00 0.00 34.95 30.40 1xsj s ARG 124 CO 0.01 -0.54 0.96 0.09 -0.81 0.00 0.00 175.30 175.00 1xsj n ASN 125 N 4.55 -4.59 0.00 -2.12 5.03 -0.47 -1.15 115.26 116.51 1xsj n ASN 125 Ca -0.15 -0.82 0.00 0.00 0.87 0.00 0.00 54.58 54.48 1xsj n ASN 125 Cb 0.44 -3.67 0.00 0.00 -1.02 0.00 0.00 39.78 35.52 1xsj n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xsj n GLY 126 N -1.64 0.92 3.63 7.41 0.00 -1.26 -5.03 105.19 109.22 1xsj n GLY 126 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1xsj n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xsj s GLU 127 N -0.02 3.76 -0.18 1.61 2.02 -0.30 -4.99 118.70 120.59 1xsj s GLU 127 Ca 0.00 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.33 1xsj s GLU 127 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 1xsj s GLU 127 CO 0.00 0.36 1.82 0.50 0.02 0.00 0.00 175.26 177.95 1xsj s ARG 128 N 0.11 3.68 0.03 1.61 3.52 -1.26 0.19 118.95 126.82 1xsj s ARG 128 Ca 0.04 1.88 0.18 0.00 -0.13 0.00 0.00 55.73 57.70 1xsj s ARG 128 Cb -0.12 -4.14 -0.16 0.00 -1.56 0.00 0.00 34.95 28.96 1xsj s ARG 128 CO 0.01 -1.45 0.70 0.44 -0.81 0.00 0.00 175.30 174.19 1xsj n ILE 129 N 6.63 1.01 -4.02 4.11 -5.35 0.49 -4.94 119.36 117.28 1xsj n ILE 129 Ca 0.22 -0.68 0.04 0.00 -0.27 0.00 0.00 62.75 62.06 1xsj n ILE 129 Cb 0.45 -0.58 0.01 0.00 -1.74 0.00 0.00 39.64 37.78 1xsj n ILE 129 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1xsj n THR 130 N -2.77 0.00 0.00 7.28 5.66 -1.24 -4.89 114.28 118.32 1xsj n THR 130 Ca -0.11 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1xsj n THR 130 Cb 0.82 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 1xsj n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsj n GLY 131 N -0.85 -0.47 3.18 1.09 0.00 -1.26 -1.39 105.19 105.49 1xsj n GLY 131 Ca 0.05 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1xsj n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsj s SER 132 N 0.00 4.05 0.58 1.61 0.15 0.16 -1.34 113.70 118.92 1xsj s SER 132 Ca 0.00 -0.81 -0.14 0.00 0.70 0.00 0.00 55.95 55.70 1xsj s SER 132 Cb 0.00 -1.62 -0.05 0.00 -1.71 0.00 0.00 66.02 62.64 1xsj s SER 132 CO 0.00 -0.09 1.02 -1.10 1.20 0.00 0.00 173.24 174.27 1xsj s GLN 133 N 1.32 3.57 0.12 5.44 -0.21 -1.26 -1.90 119.66 126.74 1xsj s GLN 133 Ca 0.01 0.99 -0.35 0.00 0.02 0.00 0.00 55.36 56.02 1xsj s GLN 133 Cb -0.16 -2.08 -0.16 0.00 1.00 0.00 0.00 33.01 31.61 1xsj s GLN 133 CO -0.06 -0.59 1.32 1.55 -2.12 0.00 0.00 175.29 175.39 1xsj n VAL 134 N -2.13 0.23 -0.99 1.09 3.14 -1.26 -1.45 118.33 116.96 1xsj n VAL 134 Ca 0.07 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1xsj n VAL 134 Cb 0.54 -0.91 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 1xsj n VAL 134 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1xsj n LYS 135 N 2.41 0.00 -0.16 1.45 5.02 -1.26 -4.90 118.16 120.72 1xsj n LYS 135 Ca 0.17 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.56 1xsj n LYS 135 Cb 0.22 -2.84 0.18 0.00 -0.02 0.00 0.00 35.03 32.56 1xsj n LYS 135 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xsj n ASN 136 N 0.00 3.17 -4.34 4.39 3.02 -0.53 -4.91 115.26 116.07 1xsj n ASN 136 Ca 0.00 -1.92 -0.17 0.00 -0.03 0.00 0.00 54.58 52.46 1xsj n ASN 136 Cb 0.00 -0.21 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 1xsj n ASN 136 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsj s ASN 137 N -1.35 1.65 0.00 6.41 2.20 -1.26 0.06 114.94 122.65 1xsj s ASN 137 Ca 0.33 -1.29 0.00 0.00 -0.94 0.00 0.00 52.86 50.95 1xsj s ASN 137 Cb 0.19 0.05 0.00 0.00 -2.00 0.00 0.00 41.25 39.50 1xsj s ASN 137 CO 0.27 -0.60 0.00 0.61 -2.94 0.00 0.00 177.10 174.44 1xsj n GLY 138 N -0.46 0.34 3.42 0.45 0.00 -0.86 -4.27 105.19 103.82 1xsj n GLY 138 Ca -0.03 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 1xsj n GLY 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xsj s TYR 139 N -3.42 2.67 -0.23 1.61 5.04 -0.79 -1.05 117.35 121.19 1xsj s TYR 139 Ca 0.00 -0.35 -0.01 0.00 -2.44 0.00 0.00 57.07 54.27 1xsj s TYR 139 Cb 0.00 -1.67 0.02 0.00 0.35 0.00 0.00 41.96 40.66 1xsj s TYR 139 CO 0.00 0.04 -0.09 0.08 -1.34 0.00 0.00 175.55 174.24 1xsj s VAL 140 N -0.42 2.73 -0.54 3.14 1.01 0.11 -2.36 120.40 124.07 1xsj s VAL 140 Ca 0.05 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1xsj s VAL 140 Cb -0.12 -2.32 0.09 0.00 0.00 0.00 0.00 36.38 34.03 1xsj s VAL 140 CO 0.02 0.31 0.62 -1.58 0.00 0.00 0.00 175.10 174.47 1xsj s GLN 141 N 1.33 3.06 -0.49 2.72 0.74 -0.16 -0.40 119.66 126.45 1xsj s GLN 141 Ca 0.02 -1.22 -0.24 0.00 0.05 0.00 0.00 55.36 53.96 1xsj s GLN 141 Cb -0.15 -4.20 0.03 0.00 1.10 0.00 0.00 33.01 29.79 1xsj s GLN 141 CO -0.06 -1.35 0.90 0.34 -0.55 0.00 0.00 175.29 174.56 1xsj s ASP 142 N 3.19 6.41 0.29 6.67 -1.08 0.00 -1.38 116.67 130.78 1xsj s ASP 142 Ca 0.11 -0.13 0.24 0.00 -0.52 0.00 0.00 52.55 52.25 1xsj s ASP 142 Cb -0.23 -2.43 0.37 0.00 -1.46 0.00 0.00 42.92 39.17 1xsj s ASP 142 CO 0.08 -1.09 1.47 0.74 0.52 0.00 0.00 175.17 176.89 1xsj h THR 143 N 6.03 0.00 -0.18 1.71 2.02 -1.27 -1.28 112.91 119.94 1xsj h THR 143 Ca -0.25 -0.80 -0.18 0.00 0.77 0.00 0.00 66.41 65.94 1xsj h THR 143 Cb 1.08 1.62 0.01 0.00 -1.74 0.00 0.00 68.15 69.12 1xsj h THR 143 CO 1.04 0.00 -0.60 0.78 0.37 0.00 0.00 175.52 177.10 1xsj h ASN 144 N 0.00 0.84 -0.09 4.18 2.35 -1.90 -3.35 115.58 117.61 1xsj h ASN 144 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 1xsj h ASN 144 Cb 0.90 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1xsj h ASN 144 CO 0.00 1.29 0.00 -0.46 -1.65 0.00 0.00 177.43 176.61 1xsj n ASN 145 N -4.08 1.97 -2.18 5.81 0.23 -1.24 -4.99 115.26 110.79 1xsj n ASN 145 Ca -0.07 -1.66 -0.20 0.00 -0.53 0.00 0.00 54.58 52.12 1xsj n ASN 145 Cb 0.65 -0.06 -0.02 0.00 -2.08 0.00 0.00 39.78 38.28 1xsj n ASN 145 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsj n GLN 146 N 0.06 -1.55 -4.25 -3.83 1.13 -0.51 -5.00 117.38 103.43 1xsj n GLN 146 Ca 0.04 0.97 -0.27 0.00 -1.94 0.00 0.00 57.00 55.80 1xsj n GLN 146 Cb 0.24 -5.55 -0.09 0.00 0.11 0.00 0.00 30.24 24.95 1xsj n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xsj s ARG 147 N -4.87 2.20 -0.00 -1.09 0.52 -1.04 -4.98 118.95 109.68 1xsj s ARG 147 Ca 0.00 -1.18 0.06 0.00 -0.52 0.00 0.00 55.73 54.09 1xsj s ARG 147 Cb 0.00 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 1xsj s ARG 147 CO 0.00 0.45 -0.20 -0.80 0.02 0.00 0.00 175.30 174.77 1xsj s ASN 148 N -2.81 2.39 0.12 0.23 0.01 -1.26 -0.82 114.94 112.80 1xsj s ASN 148 Ca 0.25 -0.40 0.04 0.00 -0.71 0.00 0.00 52.86 52.05 1xsj s ASN 148 Cb -0.09 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.28 1xsj s ASN 148 CO 0.16 0.23 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.56 1xsj s TYR 149 N -0.55 1.18 0.04 2.20 2.02 0.46 -2.47 117.35 120.24 1xsj s TYR 149 Ca 0.08 -0.68 0.06 0.00 -0.37 0.00 0.00 57.07 56.16 1xsj s TYR 149 Cb -0.08 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.82 1xsj s TYR 149 CO -0.00 0.05 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.24 1xsj s MET 150 N -3.13 2.17 0.17 -0.62 -1.94 -0.80 0.09 119.30 115.24 1xsj s MET 150 Ca 0.10 -0.94 -0.04 0.00 -1.71 0.00 0.00 55.69 53.10 1xsj s MET 150 Cb -0.01 -2.27 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 1xsj s MET 150 CO 0.01 0.55 0.17 -0.59 -0.01 0.00 0.00 175.02 175.14 1xsj s PHE 151 N -0.98 0.78 -0.05 -0.03 -0.71 -0.21 -1.89 117.98 114.89 1xsj s PHE 151 Ca 0.16 -1.11 -0.15 0.00 -1.04 0.00 0.00 56.93 54.79 1xsj s PHE 151 Cb -0.11 -0.34 0.03 0.00 -1.21 0.00 0.00 43.02 41.40 1xsj s PHE 151 CO 0.07 -0.64 0.34 -2.00 -1.34 0.00 0.00 175.22 171.65 1xsj s GLU 152 N -4.05 0.63 -0.20 1.99 2.56 -0.58 -2.02 118.70 117.02 1xsj s GLU 152 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 54.97 55.24 1xsj s GLU 152 Cb 0.06 0.29 0.05 0.00 2.00 0.00 0.00 34.13 36.52 1xsj s GLU 152 CO 0.05 -0.16 -0.09 1.03 -0.56 0.00 0.00 175.26 175.52 1xsj s ARG 153 N -0.95 1.95 -0.13 4.30 0.52 0.11 -0.82 118.95 123.93 1xsj s ARG 153 Ca -0.10 -0.87 -0.18 0.00 -0.52 0.00 0.00 55.73 54.06 1xsj s ARG 153 Cb -0.04 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 1xsj s ARG 153 CO 0.04 -0.46 0.47 -0.51 0.02 0.00 0.00 175.30 174.86 1xsj s LEU 154 N 1.39 4.25 0.64 2.53 1.43 -0.40 -4.42 118.68 124.11 1xsj s LEU 154 Ca -0.02 0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 53.68 1xsj s LEU 154 Cb -0.17 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1xsj s LEU 154 CO -0.08 -0.02 1.27 -1.81 0.23 0.00 0.00 176.35 175.94 1xsj s ASP 155 N 0.70 4.74 -0.09 2.29 1.01 -0.45 -0.41 116.67 124.46 1xsj s ASP 155 Ca 0.25 2.55 0.04 0.00 0.71 0.00 0.00 52.55 56.11 1xsj s ASP 155 Cb -0.15 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.17 1xsj s ASP 155 CO 0.10 -1.91 -0.23 -0.76 0.21 0.00 0.00 175.17 172.58 1xsj s LEU 156 N -4.32 2.06 0.00 1.23 1.43 0.01 -4.63 118.68 114.46 1xsj s LEU 156 Ca 0.81 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 1xsj s LEU 156 Cb -0.35 -1.37 0.18 0.00 0.03 0.00 0.00 46.19 44.68 1xsj s LEU 156 CO 0.38 0.16 1.03 0.61 0.23 0.00 0.00 176.35 178.76 1xsj n GLY 157 N 3.49 -1.47 3.71 -3.19 0.00 -1.26 -4.75 105.19 101.72 1xsj n GLY 157 Ca -0.19 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1xsj n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsj s VAL 158 N -3.25 2.50 -0.13 1.61 1.01 -1.26 -2.14 120.40 118.74 1xsj s VAL 158 Ca 0.59 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1xsj s VAL 158 Cb -0.02 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1xsj s VAL 158 CO 0.41 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1xsj n GLY 159 N 3.91 0.35 3.66 4.51 0.00 -1.26 -4.99 105.19 111.36 1xsj n GLY 159 Ca 0.15 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1xsj n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsj s GLU 160 N -1.27 4.24 0.17 1.61 2.12 -0.91 -4.99 118.70 119.67 1xsj s GLU 160 Ca 0.00 1.26 0.07 0.00 0.36 0.00 0.00 54.97 56.67 1xsj s GLU 160 Cb 0.00 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1xsj s GLU 160 CO 0.00 -0.62 -0.01 0.95 -0.54 0.00 0.00 175.26 175.04 1xsj s THR 161 N 3.15 3.68 -0.06 -1.70 -4.23 -1.26 -4.85 115.64 110.37 1xsj s THR 161 Ca 0.42 -1.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 1xsj s THR 161 Cb -0.15 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 1xsj s THR 161 CO 0.07 -0.09 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.21 1xsj s VAL 162 N -1.69 2.99 0.13 2.29 1.01 -1.26 -2.26 120.40 121.60 1xsj s VAL 162 Ca 0.27 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1xsj s VAL 162 Cb -0.09 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1xsj s VAL 162 CO 0.18 0.58 -0.04 -0.31 0.00 0.00 0.00 175.10 175.51 1xsj s TYR 163 N -0.50 1.03 0.00 5.22 2.02 -0.03 -0.36 117.35 124.73 1xsj s TYR 163 Ca 0.07 -0.95 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 1xsj s TYR 163 Cb -0.12 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 40.86 1xsj s TYR 163 CO 0.02 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.25 1xsj n GLY 164 N -0.13 0.95 2.39 0.71 0.00 -1.26 -1.58 105.19 106.28 1xsj n GLY 164 Ca -0.10 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 1xsj n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xsj n LEU 165 N 0.00 -1.23 0.00 0.99 4.77 0.77 -4.81 117.00 117.49 1xsj n LEU 165 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1xsj n LEU 165 Cb 0.00 -2.19 0.00 0.00 -2.33 0.00 0.00 43.42 38.90 1xsj n LEU 165 CO 0.00 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.05 1xsj n GLY 166 N -1.12 -1.11 3.48 -0.72 0.00 -1.24 -3.34 105.19 101.14 1xsj n GLY 166 Ca -0.16 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 1xsj n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsj s GLU 167 N 0.00 3.20 0.07 1.61 2.12 -0.76 -3.63 118.70 121.32 1xsj s GLU 167 Ca 0.00 -0.82 0.07 0.00 0.36 0.00 0.00 54.97 54.58 1xsj s GLU 167 Cb 0.00 -4.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.01 1xsj s GLU 167 CO 0.00 -1.91 -0.19 1.03 -0.54 0.00 0.00 175.26 173.65 1xsj s ARG 168 N 4.33 1.16 0.00 4.30 0.52 -1.26 -4.55 118.95 123.45 1xsj s ARG 168 Ca 0.27 -1.02 0.17 0.00 -0.52 0.00 0.00 55.73 54.63 1xsj s ARG 168 Cb -0.13 -1.32 0.20 0.00 0.52 0.00 0.00 34.95 34.22 1xsj s ARG 168 CO 0.08 0.32 1.11 1.19 0.02 0.00 0.00 175.30 178.02 1xsj n PHE 169 N 1.44 0.14 -1.35 -0.53 3.72 -1.26 -3.38 117.46 116.25 1xsj n PHE 169 Ca -0.19 -0.10 -0.21 0.00 -0.05 0.00 0.00 57.45 56.90 1xsj n PHE 169 Cb 0.54 -0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.23 1xsj n PHE 169 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1xsj n THR 170 N 0.99 0.00 -1.56 4.37 -2.24 -1.26 -4.82 114.28 109.75 1xsj n THR 170 Ca 0.12 -0.55 -0.45 0.00 -2.27 0.00 0.00 64.05 60.89 1xsj n THR 170 Cb 0.45 -1.46 -0.02 0.00 -2.10 0.00 0.00 70.33 67.20 1xsj n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xsj n ALA 171 N -3.90 -0.68 -0.11 6.98 0.00 -1.26 -4.89 120.51 116.66 1xsj n ALA 171 Ca -0.15 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 1xsj n ALA 171 Cb 0.41 -1.95 -0.01 0.00 0.00 0.00 0.00 19.45 17.90 1xsj n ALA 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xsj h LEU 172 N 1.88 0.43 -9.38 0.00 5.85 -1.92 -3.39 115.31 108.78 1xsj h LEU 172 Ca -0.38 -0.08 -0.54 0.00 0.84 0.00 0.00 57.88 57.72 1xsj h LEU 172 Cb 1.36 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1xsj h LEU 172 CO 0.60 0.38 0.54 -0.69 -0.34 0.00 0.00 178.44 178.94 1xsj s VAL 173 N -5.90 4.48 -0.57 1.05 1.01 -1.26 -4.60 120.40 114.60 1xsj s VAL 173 Ca -0.13 1.78 0.24 0.00 0.00 0.00 0.00 61.98 63.87 1xsj s VAL 173 Cb 0.10 -4.14 0.17 0.00 0.00 0.00 0.00 36.38 32.51 1xsj s VAL 173 CO 0.72 0.08 1.48 0.03 0.00 0.00 0.00 175.10 177.41 1xsj h ARG 174 N 7.02 0.00 -6.40 2.72 2.47 -0.91 -3.47 114.38 115.81 1xsj h ARG 174 Ca -0.38 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 57.71 1xsj h ARG 174 Cb 1.19 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 29.58 1xsj h ARG 174 CO 0.82 0.00 0.45 0.09 0.56 0.00 0.00 179.97 181.89 1xsj n ASN 175 N -2.44 1.94 0.00 7.04 4.13 -1.26 -1.05 115.26 123.62 1xsj n ASN 175 Ca 0.04 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1xsj n ASN 175 Cb 0.47 -1.29 0.00 0.00 -1.54 0.00 0.00 39.78 37.42 1xsj n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xsj n GLY 176 N 2.29 1.02 3.67 7.41 0.00 0.14 -4.97 105.19 114.76 1xsj n GLY 176 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1xsj n GLY 176 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xsj s GLN 177 N -0.65 3.02 -0.00 1.61 -0.21 -0.22 -4.63 119.66 118.58 1xsj s GLN 177 Ca 0.00 -0.41 -0.22 0.00 0.02 0.00 0.00 55.36 54.75 1xsj s GLN 177 Cb 0.00 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.16 1xsj s GLN 177 CO 0.00 0.68 0.65 0.99 -2.12 0.00 0.00 175.29 175.49 1xsj s THR 178 N -0.81 4.89 -0.04 -0.19 2.01 -1.26 -1.07 115.64 119.16 1xsj s THR 178 Ca 0.12 1.36 0.01 0.00 0.31 0.00 0.00 61.69 63.49 1xsj s THR 178 Cb -0.11 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.43 1xsj s THR 178 CO 0.02 0.38 -0.02 0.68 -0.69 0.00 0.00 174.62 174.99 1xsj s VAL 179 N -0.00 0.36 -0.20 3.82 -7.23 0.34 -4.98 120.40 112.50 1xsj s VAL 179 Ca 0.34 -0.02 -0.07 0.00 -1.81 0.00 0.00 61.98 60.42 1xsj s VAL 179 Cb -0.19 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 1xsj s VAL 179 CO 0.19 0.19 0.05 -1.61 -0.31 0.00 0.00 175.10 173.60 1xsj s GLU 180 N 0.98 3.79 -1.08 4.82 0.41 -1.26 -0.38 118.70 125.99 1xsj s GLU 180 Ca -0.10 -0.43 -0.21 0.00 -0.41 0.00 0.00 54.97 53.82 1xsj s GLU 180 Cb -0.14 -3.20 0.07 0.00 -1.78 0.00 0.00 34.13 29.08 1xsj s GLU 180 CO -0.01 0.08 1.47 0.95 -0.49 0.00 0.00 175.26 177.26 1xsj s THR 181 N 0.88 4.13 -0.19 3.63 -4.23 -0.40 -4.88 115.64 114.58 1xsj s THR 181 Ca 0.03 -1.22 -0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1xsj s THR 181 Cb -0.14 -5.04 0.09 0.00 1.34 0.00 0.00 72.50 68.75 1xsj s THR 181 CO 0.02 -1.88 0.27 0.86 -0.54 0.00 0.00 174.62 173.36 1xsj s TRP 182 N 4.32 -0.46 0.30 3.99 -0.11 -1.26 -4.06 118.94 121.67 1xsj s TRP 182 Ca 0.46 0.62 -0.30 0.00 1.22 0.00 0.00 56.10 58.10 1xsj s TRP 182 Cb 0.00 -0.16 -0.11 0.00 -1.50 0.00 0.00 33.47 31.70 1xsj s TRP 182 CO -0.06 -0.55 1.57 -0.80 -4.62 0.00 0.00 176.95 172.50 1xsj s ASN 183 N 2.41 6.38 0.05 5.86 0.01 -1.26 -4.66 114.94 123.73 1xsj s ASN 183 Ca 0.06 2.96 -0.08 0.00 -0.71 0.00 0.00 52.86 55.09 1xsj s ASN 183 Cb -0.14 -2.64 -0.00 0.00 0.41 0.00 0.00 41.25 38.87 1xsj s ASN 183 CO -0.12 -0.90 0.16 -0.13 -1.51 0.00 0.00 177.10 174.60 1xsj s ARG 184 N -0.73 0.71 -0.70 -0.60 0.52 -0.30 -4.63 118.95 113.22 1xsj s ARG 184 Ca 0.62 -0.79 -0.10 0.00 -0.52 0.00 0.00 55.73 54.94 1xsj s ARG 184 Cb -0.47 0.29 0.18 0.00 0.52 0.00 0.00 34.95 35.47 1xsj s ARG 184 CO 0.50 -0.20 0.59 0.34 0.02 0.00 0.00 175.30 176.55 1xsj s ASP 185 N -2.38 6.07 -0.01 0.23 -1.08 -1.26 -3.22 116.67 115.03 1xsj s ASP 185 Ca -0.01 -2.62 0.02 0.00 -0.52 0.00 0.00 52.55 49.41 1xsj s ASP 185 Cb 0.01 -2.06 0.03 0.00 -1.46 0.00 0.00 42.92 39.44 1xsj s ASP 185 CO -0.07 -0.53 0.95 0.61 0.52 0.00 0.00 175.17 176.66 1xsj n GLY 186 N 3.96 2.39 7.00 2.66 0.00 -1.26 -5.10 105.19 114.84 1xsj n GLY 186 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xsj n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsj n GLY 187 N -0.51 -0.76 0.53 -0.02 0.00 -1.26 -4.35 105.19 98.81 1xsj n GLY 187 Ca 0.01 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.92 1xsj n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xsj n THR 188 N -0.02 0.58 -0.03 2.61 -2.24 -1.25 -4.68 114.28 109.24 1xsj n THR 188 Ca 0.00 -0.79 0.07 0.00 -2.27 0.00 0.00 64.05 61.06 1xsj n THR 188 Cb 0.00 0.80 0.16 0.00 -2.10 0.00 0.00 70.33 69.19 1xsj n THR 188 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsj n SER 189 N 0.52 2.91 -3.04 3.42 7.64 -1.26 -4.72 113.62 119.09 1xsj n SER 189 Ca 0.09 -1.90 -0.16 0.00 1.01 0.00 0.00 58.87 57.91 1xsj n SER 189 Cb 0.35 -0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 63.29 1xsj n SER 189 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xsj n THR 190 N 0.76 0.00 0.79 0.44 -2.24 -1.26 -5.03 114.28 107.74 1xsj n THR 190 Ca 0.13 -1.51 0.10 0.00 -2.27 0.00 0.00 64.05 60.50 1xsj n THR 190 Cb 0.44 0.53 0.47 0.00 -2.10 0.00 0.00 70.33 69.67 1xsj n THR 190 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xsj n GLU 191 N -0.60 0.05 -2.44 -0.78 0.00 -1.26 -4.38 120.64 111.24 1xsj n GLU 191 Ca -0.04 0.12 -0.28 0.00 0.00 0.00 0.00 57.16 56.96 1xsj n GLU 191 Cb 0.39 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.34 1xsj n GLU 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xsj s GLN 192 N -2.93 3.42 -0.03 3.44 -0.21 -1.26 -4.90 119.66 117.20 1xsj s GLN 192 Ca 0.12 0.26 -0.03 0.00 0.02 0.00 0.00 55.36 55.73 1xsj s GLN 192 Cb 0.14 -2.30 0.01 0.00 1.00 0.00 0.00 33.01 31.86 1xsj s GLN 192 CO 0.38 -0.38 0.08 0.00 -2.12 0.00 0.00 175.29 173.25 1xsj s ALA 193 N -2.88 -0.19 -0.02 6.09 0.00 -1.26 -4.69 121.76 118.82 1xsj s ALA 193 Ca 0.50 0.19 0.19 0.00 0.00 0.00 0.00 51.96 52.85 1xsj s ALA 193 Cb -0.10 -0.12 0.49 0.00 0.00 0.00 0.00 23.12 23.39 1xsj s ALA 193 CO 0.47 -0.04 1.64 1.88 0.00 0.00 0.00 175.76 179.70 1xsj h TYR 194 N 5.96 0.00 -3.20 0.00 0.05 -1.79 -0.78 116.97 117.20 1xsj h TYR 194 Ca -0.25 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.92 1xsj h TYR 194 Cb 1.20 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.54 1xsj h TYR 194 CO 0.42 0.35 -0.72 0.15 -1.05 0.00 0.00 178.16 177.30 1xsj s LYS 195 N -3.33 1.25 -0.14 4.88 1.02 -1.26 -3.49 119.74 118.67 1xsj s LYS 195 Ca 0.02 -1.81 -0.07 0.00 0.02 0.00 0.00 55.97 54.13 1xsj s LYS 195 Cb 0.09 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1xsj s LYS 195 CO 0.69 -1.07 0.11 -0.80 -0.92 0.00 0.00 175.35 173.36 1xsj s ASN 196 N 0.71 6.11 -0.04 2.83 0.01 -1.23 -1.82 114.94 121.51 1xsj s ASN 196 Ca 0.14 0.33 -0.02 0.00 -0.71 0.00 0.00 52.86 52.61 1xsj s ASN 196 Cb -0.22 -1.98 0.03 0.00 0.41 0.00 0.00 41.25 39.49 1xsj s ASN 196 CO -0.08 0.33 0.05 -0.63 -1.51 0.00 0.00 177.10 175.26 1xsj s ILE 197 N -0.56 -0.08 -0.09 0.60 -1.09 -1.21 -4.42 121.20 114.34 1xsj s ILE 197 Ca 0.12 0.37 -0.04 0.00 -2.23 0.00 0.00 60.65 58.87 1xsj s ILE 197 Cb -0.12 -0.15 -0.12 0.00 -1.58 0.00 0.00 42.46 40.50 1xsj s ILE 197 CO 0.02 0.16 2.98 -0.81 -1.23 0.00 0.00 174.94 176.07 1xsj n PRO 198 N 5.05 1.81 -5.04 2.79 -0.04 -1.26 -3.59 135.00 134.71 1xsj n PRO 198 Ca -0.09 -1.01 -0.30 0.00 -0.04 0.00 0.00 63.50 62.07 1xsj n PRO 198 Cb 0.50 -1.75 -0.17 0.00 -0.04 0.00 0.00 33.50 32.04 1xsj n PRO 198 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xsj s PHE 199 N 0.13 2.23 0.17 0.54 5.36 -1.26 -0.76 117.98 124.39 1xsj s PHE 199 Ca 0.47 -0.87 0.08 0.00 -0.96 0.00 0.00 56.93 55.65 1xsj s PHE 199 Cb 0.25 -1.51 -0.04 0.00 -0.34 0.00 0.00 43.02 41.37 1xsj s PHE 199 CO -0.03 -0.36 -0.17 1.52 -1.46 0.00 0.00 175.22 174.71 1xsj s TYR 200 N 0.38 1.76 0.27 10.12 -0.85 -0.79 -0.17 117.35 128.07 1xsj s TYR 200 Ca -0.16 -0.49 0.03 0.00 -0.52 0.00 0.00 57.07 55.93 1xsj s TYR 200 Cb -0.17 -0.87 -0.06 0.00 0.38 0.00 0.00 41.96 41.24 1xsj s TYR 200 CO 0.07 0.32 0.04 0.00 -1.52 0.00 0.00 175.55 174.46 1xsj s MET 201 N -2.92 1.46 0.34 -3.49 0.23 -0.61 -1.15 119.30 113.15 1xsj s MET 201 Ca 0.16 -1.78 0.06 0.00 -1.03 0.00 0.00 55.69 53.11 1xsj s MET 201 Cb -0.05 -0.64 -0.07 0.00 -1.53 0.00 0.00 34.83 32.55 1xsj s MET 201 CO 0.06 -0.17 -0.02 0.95 -2.03 0.00 0.00 175.02 173.82 1xsj s THR 202 N -3.44 1.72 -2.00 3.16 -4.23 -0.74 -0.85 115.64 109.26 1xsj s THR 202 Ca 0.33 -2.07 0.07 0.00 -1.18 0.00 0.00 61.69 58.84 1xsj s THR 202 Cb 0.07 -2.71 0.19 0.00 1.34 0.00 0.00 72.50 71.39 1xsj s THR 202 CO 0.12 -0.13 0.94 -0.46 -0.54 0.00 0.00 174.62 174.56 1xsj n ASN 203 N -0.74 0.00 -1.28 3.99 6.94 -0.96 -2.38 115.26 120.83 1xsj n ASN 203 Ca -0.04 -1.01 0.11 0.00 -0.02 0.00 0.00 54.58 53.62 1xsj n ASN 203 Cb 0.65 0.00 0.30 0.00 -2.36 0.00 0.00 39.78 38.37 1xsj n ASN 203 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1xsj n ARG 204 N -0.67 2.61 -2.39 -3.83 0.63 -1.26 -4.96 116.66 106.77 1xsj n ARG 204 Ca 0.05 -2.49 -0.04 0.00 -0.92 0.00 0.00 57.85 54.45 1xsj n ARG 204 Cb 0.02 -1.54 0.01 0.00 0.45 0.00 0.00 32.46 31.40 1xsj n ARG 204 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xsj n GLY 205 N 1.60 0.43 3.24 5.14 0.00 -1.00 -4.93 105.19 109.67 1xsj n GLY 205 Ca 0.23 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1xsj n GLY 205 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xsj s TYR 206 N -2.63 1.22 0.27 1.61 -0.85 -1.26 -1.55 117.35 114.15 1xsj s TYR 206 Ca 0.06 -1.12 0.01 0.00 -0.52 0.00 0.00 57.07 55.50 1xsj s TYR 206 Cb -0.03 -0.69 -0.05 0.00 0.38 0.00 0.00 41.96 41.58 1xsj s TYR 206 CO 0.07 -0.33 0.10 0.20 -1.52 0.00 0.00 175.55 174.08 1xsj s GLY 207 N -3.18 1.79 -0.07 5.49 0.00 0.70 -1.78 107.32 110.26 1xsj s GLY 207 Ca 0.28 -1.85 -0.04 0.00 0.00 0.00 0.00 44.72 43.12 1xsj s GLY 207 CO 0.06 -1.60 0.16 0.54 0.00 0.00 0.00 173.10 172.27 1xsj s VAL 208 N -3.73 -0.04 -0.22 1.40 0.11 -0.30 0.02 120.40 117.64 1xsj s VAL 208 Ca 0.37 0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 59.51 1xsj s VAL 208 Cb 0.07 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1xsj s VAL 208 CO 0.14 0.06 0.02 -0.22 -3.33 0.00 0.00 175.10 171.78 1xsj s LEU 209 N 1.02 3.31 -0.24 2.54 2.96 -0.34 -1.88 118.68 126.05 1xsj s LEU 209 Ca -0.08 -0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 53.41 1xsj s LEU 209 Cb -0.10 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1xsj s LEU 209 CO -0.05 0.02 0.67 -0.69 -1.32 0.00 0.00 176.35 174.98 1xsj s VAL 210 N 1.25 4.96 -1.28 1.68 1.01 0.06 -0.49 120.40 127.59 1xsj s VAL 210 Ca 0.04 1.24 -0.06 0.00 0.00 0.00 0.00 61.98 63.20 1xsj s VAL 210 Cb -0.15 -3.98 0.16 0.00 0.00 0.00 0.00 36.38 32.41 1xsj s VAL 210 CO 0.02 0.02 2.18 -3.20 0.00 0.00 0.00 175.10 174.12 1xsj n ASN 211 N 5.66 7.24 -3.60 3.32 5.15 0.14 -4.79 115.26 128.38 1xsj n ASN 211 Ca 0.01 -3.19 -0.19 0.00 -0.60 0.00 0.00 54.58 50.61 1xsj n ASN 211 Cb 0.49 -1.37 -0.15 0.00 -0.53 0.00 0.00 39.78 38.22 1xsj n ASN 211 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1xsj s HIS 212 N -1.12 -0.16 -0.11 1.20 3.76 -1.26 -4.75 115.29 112.84 1xsj s HIS 212 Ca 0.48 0.36 0.30 0.00 -0.15 0.00 0.00 55.06 56.05 1xsj s HIS 212 Cb 0.16 -0.35 1.10 0.00 1.11 0.00 0.00 32.58 34.59 1xsj s HIS 212 CO -0.06 -0.42 1.87 -1.35 -0.85 0.00 0.00 174.74 173.93 1xsj h PRO 213 N 8.35 0.00 0.00 8.40 0.11 -1.89 -3.44 132.00 143.54 1xsj h PRO 213 Ca -0.15 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.71 1xsj h PRO 213 Cb 1.13 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.37 1xsj h PRO 213 CO 0.21 0.00 0.09 0.00 -0.21 0.00 0.00 178.00 178.09 1xsj n GLN 214 N -2.95 -2.23 -1.81 1.05 0.00 -1.26 -4.40 117.38 105.79 1xsj n GLN 214 Ca 0.02 -1.13 -0.42 0.00 0.00 0.00 0.00 57.00 55.46 1xsj n GLN 214 Cb 0.34 -1.03 -0.03 0.00 0.00 0.00 0.00 30.24 29.53 1xsj n GLN 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsj s VAL 216 N 4.32 4.99 -0.42 0.00 1.01 -1.26 -4.59 120.40 124.45 1xsj s VAL 216 Ca 0.82 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.71 1xsj s VAL 216 Cb -0.39 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1xsj s VAL 216 CO 0.37 0.43 0.30 -0.55 0.00 0.00 0.00 175.10 175.65 1xsj s SER 217 N 0.57 6.03 -0.15 3.32 0.15 -0.64 -1.28 113.70 121.70 1xsj s SER 217 Ca 0.05 -1.05 -0.08 0.00 0.70 0.00 0.00 55.95 55.56 1xsj s SER 217 Cb -0.12 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1xsj s SER 217 CO 0.01 -0.49 0.14 -0.36 1.20 0.00 0.00 173.24 173.74 1xsj s PHE 218 N 1.63 3.53 -0.43 3.44 0.40 0.49 -2.05 117.98 124.99 1xsj s PHE 218 Ca 0.04 0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.82 1xsj s PHE 218 Cb -0.21 -2.03 0.12 0.00 0.51 0.00 0.00 43.02 41.41 1xsj s PHE 218 CO 0.08 0.56 0.21 -1.21 0.70 0.00 0.00 175.22 175.56 1xsj s GLU 219 N -0.47 1.97 -0.80 0.44 0.41 -0.10 -0.51 118.70 119.65 1xsj s GLU 219 Ca 0.12 -1.99 -0.18 0.00 -0.41 0.00 0.00 54.97 52.51 1xsj s GLU 219 Cb -0.12 -3.51 0.13 0.00 -1.78 0.00 0.00 34.13 28.85 1xsj s GLU 219 CO 0.02 -1.06 0.94 0.08 -0.49 0.00 0.00 175.26 174.74 1xsj s VAL 220 N 0.82 4.86 -1.93 2.63 1.01 -0.24 -1.58 120.40 125.97 1xsj s VAL 220 Ca 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1xsj s VAL 220 Cb -0.22 -4.64 0.00 0.00 0.00 0.00 0.00 36.38 31.52 1xsj s VAL 220 CO -0.05 -1.32 0.00 0.61 0.00 0.00 0.00 175.10 174.34 1xsj n GLY 221 N 5.15 1.57 0.00 4.51 0.00 -0.54 0.26 105.19 116.14 1xsj n GLY 221 Ca 0.11 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1xsj n GLY 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsj n SER 222 N -1.06 2.22 -0.04 1.61 3.41 -1.26 -3.60 113.62 114.90 1xsj n SER 222 Ca -0.19 -0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 58.13 1xsj n SER 222 Cb 0.62 1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 65.84 1xsj n SER 222 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xsj n GLU 223 N -1.65 0.23 -3.98 4.33 2.13 -1.26 -4.93 120.64 115.50 1xsj n GLU 223 Ca -0.01 0.10 -0.34 0.00 0.66 0.00 0.00 57.16 57.57 1xsj n GLU 223 Cb 0.21 -0.88 -0.15 0.00 0.27 0.00 0.00 31.44 30.89 1xsj n GLU 223 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xsj s LYS 224 N -2.24 3.21 0.44 5.31 -0.14 -1.26 -4.97 119.74 120.09 1xsj s LYS 224 Ca -0.14 -0.72 0.22 0.00 -1.36 0.00 0.00 55.97 53.97 1xsj s LYS 224 Cb 0.05 -2.86 0.96 0.00 -1.68 0.00 0.00 37.83 34.30 1xsj s LYS 224 CO 0.19 -0.22 1.86 -0.39 -0.76 0.00 0.00 175.35 176.03 1xsj h VAL 225 N 5.82 0.71 -0.62 3.17 -1.51 -1.92 -2.75 116.25 119.15 1xsj h VAL 225 Ca -0.42 -1.11 -0.27 0.00 -1.23 0.00 0.00 66.70 63.67 1xsj h VAL 225 Cb 1.15 1.70 -0.16 0.00 -2.13 0.00 0.00 31.29 31.85 1xsj h VAL 225 CO 0.61 0.25 0.23 -1.54 -1.23 0.00 0.00 177.57 175.89 1xsj n SER 226 N -3.55 3.56 -3.97 4.19 3.41 -1.26 -4.49 113.62 111.50 1xsj n SER 226 Ca -0.01 -3.51 -0.09 0.00 -0.26 0.00 0.00 58.87 55.00 1xsj n SER 226 Cb 0.40 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 1xsj n SER 226 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xsj s LYS 227 N -3.16 0.54 -0.40 4.33 1.02 -1.04 -0.81 119.74 120.23 1xsj s LYS 227 Ca 0.50 -0.83 -0.15 0.00 0.02 0.00 0.00 55.97 55.52 1xsj s LYS 227 Cb 0.43 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.96 1xsj s LYS 227 CO 0.07 -0.12 0.29 0.08 -0.92 0.00 0.00 175.35 174.75 1xsj s VAL 228 N -2.70 5.24 0.00 3.17 1.01 0.45 -1.46 120.40 126.12 1xsj s VAL 228 Ca -0.04 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1xsj s VAL 228 Cb -0.01 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1xsj s VAL 228 CO -0.05 -0.26 0.49 -1.58 0.00 0.00 0.00 175.10 173.70 1xsj s GLN 229 N 1.68 4.13 0.01 2.72 0.74 -0.61 -1.28 119.66 127.05 1xsj s GLN 229 Ca 0.05 0.55 0.01 0.00 0.05 0.00 0.00 55.36 56.03 1xsj s GLN 229 Cb -0.19 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.64 1xsj s GLN 229 CO 0.10 0.54 -0.04 -0.59 -0.55 0.00 0.00 175.29 174.75 1xsj s PHE 230 N -0.68 0.36 0.01 1.67 -0.12 0.00 -0.92 117.98 118.30 1xsj s PHE 230 Ca 0.26 -0.19 -0.05 0.00 -0.05 0.00 0.00 56.93 56.91 1xsj s PHE 230 Cb -0.17 -0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 41.98 1xsj s PHE 230 CO 0.15 -0.04 0.08 -1.54 -0.05 0.00 0.00 175.22 173.82 1xsj s SER 231 N -0.51 0.12 -0.04 1.98 1.04 -0.87 -1.53 113.70 113.89 1xsj s SER 231 Ca -0.03 -0.36 -0.06 0.00 0.48 0.00 0.00 55.95 55.99 1xsj s SER 231 Cb -0.04 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.27 1xsj s SER 231 CO -0.00 -0.38 0.15 0.54 0.98 0.00 0.00 173.24 174.53 1xsj s VAL 232 N -1.65 0.02 -0.63 5.02 0.11 -0.79 -1.62 120.40 120.86 1xsj s VAL 232 Ca -0.13 -0.19 -0.27 0.00 -2.93 0.00 0.00 61.98 58.45 1xsj s VAL 232 Cb -0.07 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.52 1xsj s VAL 232 CO -0.00 -0.11 1.43 -0.70 -3.33 0.00 0.00 175.10 172.39 1xsj s GLU 233 N -0.32 3.17 -0.17 1.54 2.12 -1.26 -1.89 118.70 121.88 1xsj s GLU 233 Ca -0.04 0.25 -0.34 0.00 0.36 0.00 0.00 54.97 55.20 1xsj s GLU 233 Cb -0.03 -4.18 0.14 0.00 0.26 0.00 0.00 34.13 30.32 1xsj s GLU 233 CO 0.01 -2.12 1.17 0.45 -0.54 0.00 0.00 175.26 174.22 1xsj s SER 234 N 4.73 -0.17 0.00 -1.70 0.15 -1.03 -4.99 113.70 110.69 1xsj s SER 234 Ca 0.49 0.03 0.27 0.00 0.70 0.00 0.00 55.95 57.44 1xsj s SER 234 Cb -0.10 0.18 0.89 0.00 -1.71 0.00 0.00 66.02 65.27 1xsj s SER 234 CO 0.21 -0.27 1.65 -0.62 1.20 0.00 0.00 173.24 175.41 1xsj n GLU 235 N -0.00 0.56 -3.88 5.44 -0.58 -1.26 -3.50 120.64 117.42 1xsj n GLU 235 Ca -0.01 -0.28 -0.10 0.00 -0.42 0.00 0.00 57.16 56.35 1xsj n GLU 235 Cb 0.59 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.87 1xsj n GLU 235 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1xsj s TYR 236 N -2.63 0.09 -0.06 -0.32 -0.85 -1.26 -0.94 117.35 111.38 1xsj s TYR 236 Ca 0.22 -0.31 0.05 0.00 -0.52 0.00 0.00 57.07 56.51 1xsj s TYR 236 Cb 0.19 -0.07 -0.00 0.00 0.38 0.00 0.00 41.96 42.46 1xsj s TYR 236 CO 0.54 -0.38 -0.22 -1.17 -1.52 0.00 0.00 175.55 172.81 1xsj s LEU 237 N -1.94 2.00 -0.09 -3.49 2.96 0.02 -4.85 118.68 113.29 1xsj s LEU 237 Ca -0.07 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1xsj s LEU 237 Cb -0.03 -1.23 0.02 0.00 0.50 0.00 0.00 46.19 45.45 1xsj s LEU 237 CO -0.03 0.18 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.39 1xsj s GLU 238 N 0.07 1.56 0.13 1.98 2.12 -1.26 -0.84 118.70 122.46 1xsj s GLU 238 Ca -0.08 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 54.97 1xsj s GLU 238 Cb -0.14 -1.48 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 1xsj s GLU 238 CO 0.04 -0.14 -0.08 1.52 -0.54 0.00 0.00 175.26 176.07 1xsj s TYR 239 N 1.24 1.13 -0.15 5.30 1.13 -0.42 0.26 117.35 125.84 1xsj s TYR 239 Ca -0.04 -0.84 0.01 0.00 -1.41 0.00 0.00 57.07 54.80 1xsj s TYR 239 Cb -0.14 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.12 1xsj s TYR 239 CO -0.03 -0.02 -0.18 -0.06 -2.51 0.00 0.00 175.55 172.75 1xsj s PHE 240 N -3.46 2.75 -0.23 -3.49 0.08 0.36 -0.55 117.98 113.43 1xsj s PHE 240 Ca 0.16 -1.18 -0.23 0.00 0.12 0.00 0.00 56.93 55.80 1xsj s PHE 240 Cb 0.04 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1xsj s PHE 240 CO -0.01 -0.54 0.74 0.08 -0.10 0.00 0.00 175.22 175.39 1xsj s VAL 241 N 0.85 4.91 -0.25 -0.44 1.01 0.10 -1.20 120.40 125.38 1xsj s VAL 241 Ca -0.05 1.39 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 1xsj s VAL 241 Cb -0.15 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1xsj s VAL 241 CO -0.01 -0.01 -0.01 -0.63 0.00 0.00 0.00 175.10 174.43 1xsj s ILE 242 N 2.55 3.33 0.77 2.22 1.01 0.10 -0.64 121.20 130.54 1xsj s ILE 242 Ca 0.32 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 1xsj s ILE 242 Cb -0.16 -2.65 0.05 0.00 0.01 0.00 0.00 42.46 39.71 1xsj s ILE 242 CO 0.09 0.22 1.09 -0.62 0.00 0.00 0.00 174.94 175.71 1xsj s ASP 243 N 1.42 4.76 0.00 3.58 2.15 -0.15 -0.22 116.67 128.21 1xsj s ASP 243 Ca 0.02 1.37 0.00 0.00 0.43 0.00 0.00 52.55 54.38 1xsj s ASP 243 Cb -0.16 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1xsj s ASP 243 CO -0.02 -1.81 0.00 0.61 -0.17 0.00 0.00 175.17 173.78 1xsj n GLY 244 N -2.12 0.78 1.59 2.66 0.00 -0.60 -3.92 105.19 103.59 1xsj n GLY 244 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1xsj n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xsj n PRO 245 N 0.00 3.61 -4.33 1.61 -0.04 -1.26 -4.67 135.00 129.92 1xsj n PRO 245 Ca 0.00 -2.32 -0.26 0.00 -0.04 0.00 0.00 63.50 60.88 1xsj n PRO 245 Cb 0.00 -2.04 -0.13 0.00 -0.04 0.00 0.00 33.50 31.29 1xsj n PRO 245 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1xsj s THR 246 N -2.33 1.95 0.24 0.52 -1.32 -1.26 -4.18 115.64 109.27 1xsj s THR 246 Ca 0.41 -1.67 -0.06 0.00 -1.21 0.00 0.00 61.69 59.15 1xsj s THR 246 Cb 0.32 -1.77 0.22 0.00 -1.51 0.00 0.00 72.50 69.75 1xsj s THR 246 CO 0.11 -0.03 1.69 -0.65 -2.21 0.00 0.00 174.62 173.54 1xsj h PRO 247 N 3.90 0.28 -0.49 7.08 0.11 -1.88 0.11 132.00 141.10 1xsj h PRO 247 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1xsj h PRO 247 Cb 1.18 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1xsj h PRO 247 CO 0.41 0.18 0.09 0.87 -0.21 0.00 0.00 178.00 179.34 1xsj h LYS 248 N 0.28 0.76 -0.36 1.05 1.57 -1.97 -1.81 116.57 116.11 1xsj h LYS 248 Ca 0.39 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1xsj h LYS 248 Cb 0.64 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1xsj h LYS 248 CO -0.48 0.71 -0.19 0.00 -0.57 0.00 0.00 179.45 178.93 1xsj h ALA 249 N 1.37 1.00 0.01 3.86 0.00 -1.42 -1.62 119.26 122.46 1xsj h ALA 249 Ca 0.16 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xsj h ALA 249 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xsj h ALA 249 CO 0.00 0.59 -0.05 0.28 0.00 0.00 0.00 179.25 180.07 1xsj h VAL 250 N 0.60 0.87 0.00 0.00 2.07 -0.63 -2.19 116.25 116.96 1xsj h VAL 250 Ca 0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1xsj h VAL 250 Cb 0.65 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1xsj h VAL 250 CO 0.05 0.00 -0.21 -0.07 0.02 0.00 0.00 177.57 177.35 1xsj h LEU 251 N -0.10 0.00 0.04 2.57 3.38 -1.25 0.48 115.31 120.44 1xsj h LEU 251 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xsj h LEU 251 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xsj h LEU 251 CO -0.05 0.21 -0.02 -0.78 0.09 0.00 0.00 178.44 177.89 1xsj h ASP 252 N 0.00 -0.05 -0.67 -0.43 3.58 -1.09 -0.17 116.42 117.59 1xsj h ASP 252 Ca -0.00 -0.45 -0.04 0.00 0.42 0.00 0.00 57.03 56.96 1xsj h ASP 252 Cb 0.49 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1xsj h ASP 252 CO 0.03 0.43 0.27 0.03 -2.88 0.00 0.00 179.24 177.12 1xsj h ARG 253 N -0.55 1.00 0.22 0.28 3.08 -1.08 -1.61 114.38 115.72 1xsj h ARG 253 Ca -0.01 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1xsj h ARG 253 Cb 0.50 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1xsj h ARG 253 CO 0.01 0.83 -0.12 -0.92 -1.07 0.00 0.00 179.97 178.70 1xsj h TYR 254 N 0.95 -0.31 0.00 3.04 3.20 -0.02 -1.27 116.97 122.56 1xsj h TYR 254 Ca 0.22 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1xsj h TYR 254 Cb 0.21 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1xsj h TYR 254 CO 0.01 -0.19 -0.20 1.79 -1.64 0.00 0.00 178.16 177.93 1xsj h THR 255 N -0.32 0.51 -0.34 1.81 1.35 -1.03 -1.41 112.91 113.48 1xsj h THR 255 Ca -0.03 -1.04 -0.06 0.00 -0.55 0.00 0.00 66.41 64.73 1xsj h THR 255 Cb 0.25 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1xsj h THR 255 CO 0.04 0.20 -0.03 -0.09 -0.25 0.00 0.00 175.52 175.38 1xsj h ARG 256 N 0.00 0.62 -0.36 4.72 2.43 -1.00 0.15 114.38 120.94 1xsj h ARG 256 Ca -0.00 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1xsj h ARG 256 Cb 0.71 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1xsj h ARG 256 CO 0.03 0.76 0.16 0.35 -1.51 0.00 0.00 179.97 179.76 1xsj h PHE 257 N 0.42 0.53 0.00 2.20 3.57 -0.99 -3.37 116.94 119.31 1xsj h PHE 257 Ca 0.09 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1xsj h PHE 257 Cb 0.50 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1xsj h PHE 257 CO 0.04 0.47 -1.00 0.25 -2.23 0.00 0.00 178.31 175.85 1xsj n THR 258 N -4.71 0.00 0.00 4.41 -2.24 -0.55 -0.56 114.28 110.63 1xsj n THR 258 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1xsj n THR 258 Cb 0.12 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1xsj n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xsj n GLY 259 N 1.67 4.57 3.75 3.38 0.00 0.49 -4.07 105.19 114.98 1xsj n GLY 259 Ca -0.00 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 1xsj n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xsj s ARG 260 N -4.66 4.34 0.14 1.61 3.00 -1.13 -4.61 118.95 117.64 1xsj s ARG 260 Ca 0.00 0.70 -0.34 0.00 0.00 0.00 0.00 55.73 56.08 1xsj s ARG 260 Cb 0.00 -3.38 -0.16 0.00 0.00 0.00 0.00 34.95 31.41 1xsj s ARG 260 CO 0.00 0.27 1.24 -2.30 0.00 0.00 0.00 175.30 174.51 1xsj n PRO 261 N 3.13 1.16 -1.27 3.54 -0.02 -1.25 -4.08 135.00 136.21 1xsj n PRO 261 Ca -0.06 0.42 -0.31 0.00 -2.02 0.00 0.00 63.50 61.53 1xsj n PRO 261 Cb 0.51 -1.98 0.09 0.00 -0.02 0.00 0.00 33.50 32.11 1xsj n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsj s ALA 262 N 0.10 2.25 -0.38 3.55 0.00 -1.24 -4.11 121.76 121.91 1xsj s ALA 262 Ca 0.78 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 1xsj s ALA 262 Cb -0.89 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 18.96 1xsj s ALA 262 CO 0.50 -1.76 0.51 -1.17 0.00 0.00 0.00 175.76 173.83 1xsj s LEU 263 N -5.89 4.51 0.63 0.00 2.96 -1.26 -4.77 118.68 114.86 1xsj s LEU 263 Ca 0.61 -0.27 -0.17 0.00 -0.22 0.00 0.00 54.13 54.09 1xsj s LEU 263 Cb -0.17 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 1xsj s LEU 263 CO 0.55 -0.55 1.13 -2.84 -1.32 0.00 0.00 176.35 173.32 1xsj s PRO 264 N 2.39 2.91 0.52 0.98 0.02 -1.26 -4.91 135.00 135.65 1xsj s PRO 264 Ca 0.17 1.52 -0.21 0.00 0.02 0.00 0.00 61.00 62.51 1xsj s PRO 264 Cb -0.16 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.35 1xsj s PRO 264 CO 0.14 -1.19 1.20 -1.25 -0.33 0.00 0.00 177.00 175.58 1xsj s PRO 265 N -3.78 3.39 0.28 5.54 0.04 -1.24 -4.93 135.00 134.30 1xsj s PRO 265 Ca 0.70 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 63.58 1xsj s PRO 265 Cb -0.23 -2.20 0.48 0.00 0.04 0.00 0.00 34.50 32.59 1xsj s PRO 265 CO 0.37 -0.87 1.88 0.00 0.04 0.00 0.00 177.00 178.41 1xsj h ALA 266 N 1.52 1.46 0.00 8.56 0.00 -1.88 -0.97 119.26 127.96 1xsj h ALA 266 Ca -0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1xsj h ALA 266 Cb 1.27 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xsj h ALA 266 CO 0.58 0.36 -0.04 0.11 0.00 0.00 0.00 179.25 180.26 1xsj h TRP 267 N 1.10 0.00 0.00 0.00 5.08 -1.91 -1.76 115.95 118.45 1xsj h TRP 267 Ca 0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.41 1xsj h TRP 267 Cb 0.27 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.43 1xsj h TRP 267 CO -0.00 0.04 0.00 0.66 -1.28 0.00 0.00 178.44 177.86 1xsj h SER 268 N 0.00 0.00 0.41 0.11 4.64 -1.55 -2.67 113.55 114.49 1xsj h SER 268 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xsj h SER 268 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1xsj h SER 268 CO 0.01 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.46 1xsj n PHE 269 N -3.09 0.00 -0.66 4.77 3.72 -0.66 -4.73 117.46 116.82 1xsj n PHE 269 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1xsj n PHE 269 Cb 0.22 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1xsj n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xsj n GLY 270 N 0.94 -1.27 3.67 1.37 0.00 -1.01 -4.75 105.19 104.14 1xsj n GLY 270 Ca 0.14 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 1xsj n GLY 270 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsj s LEU 271 N 0.00 4.13 -0.09 0.99 2.96 -1.26 -4.24 118.68 121.17 1xsj s LEU 271 Ca 0.00 1.41 -0.16 0.00 -0.22 0.00 0.00 54.13 55.16 1xsj s LEU 271 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1xsj s LEU 271 CO 0.00 -0.62 0.43 0.26 -1.32 0.00 0.00 176.35 175.10 1xsj s TRP 272 N 2.93 3.57 0.08 5.38 0.52 -0.30 -1.11 118.94 130.01 1xsj s TRP 272 Ca 0.45 0.87 0.09 0.00 0.02 0.00 0.00 56.10 57.53 1xsj s TRP 272 Cb -0.16 -2.44 -0.03 0.00 -1.15 0.00 0.00 33.47 29.69 1xsj s TRP 272 CO 0.09 0.32 -0.24 -1.17 0.02 0.00 0.00 176.95 175.97 1xsj s LEU 273 N 0.10 2.39 0.25 2.99 0.20 0.04 -1.30 118.68 123.34 1xsj s LEU 273 Ca 0.24 -0.60 0.11 0.00 0.69 0.00 0.00 54.13 54.57 1xsj s LEU 273 Cb -0.15 -1.36 -0.05 0.00 -0.43 0.00 0.00 46.19 44.20 1xsj s LEU 273 CO 0.10 0.22 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.34 1xsj s THR 274 N -0.95 2.72 -0.39 3.68 2.01 -0.93 0.32 115.64 122.09 1xsj s THR 274 Ca 0.14 -2.17 0.22 0.00 0.31 0.00 0.00 61.69 60.19 1xsj s THR 274 Cb -0.10 -2.40 0.22 0.00 0.01 0.00 0.00 72.50 70.23 1xsj s THR 274 CO 0.05 -0.31 1.66 0.35 -0.69 0.00 0.00 174.62 175.67 1xsj n THR 275 N -0.44 0.97 -0.84 -0.82 -2.24 -0.72 -4.81 114.28 105.38 1xsj n THR 275 Ca -0.07 0.47 0.11 0.00 -2.27 0.00 0.00 64.05 62.29 1xsj n THR 275 Cb 0.59 -1.43 -0.04 0.00 -2.10 0.00 0.00 70.33 67.35 1xsj n THR 275 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsj n SER 276 N -2.20 -5.04 0.00 3.42 7.64 -1.26 -4.74 113.62 111.44 1xsj n SER 276 Ca 0.00 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1xsj n SER 276 Cb 0.13 -2.65 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1xsj n SER 276 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xsj n PHE 277 N -3.28 0.00 -0.20 1.43 7.35 0.24 -4.54 117.46 118.47 1xsj n PHE 277 Ca -0.01 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.79 1xsj n PHE 277 Cb 0.39 -0.21 0.30 0.00 0.35 0.00 0.00 39.48 40.32 1xsj n PHE 277 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1xsj n THR 278 N -1.71 1.01 -0.86 -2.13 -2.24 -0.40 -4.54 114.28 103.41 1xsj n THR 278 Ca 0.00 -0.93 -0.29 0.00 -2.27 0.00 0.00 64.05 60.56 1xsj n THR 278 Cb 0.00 0.41 0.23 0.00 -2.10 0.00 0.00 70.33 68.87 1xsj n THR 278 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xsj s THR 279 N -1.18 1.84 0.23 4.28 -4.23 -1.25 -4.98 115.64 110.35 1xsj s THR 279 Ca 0.46 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.72 1xsj s THR 279 Cb 0.25 -2.31 -0.09 0.00 1.34 0.00 0.00 72.50 71.69 1xsj s THR 279 CO 0.30 0.00 0.83 0.20 -0.54 0.00 0.00 174.62 175.41 1xsj s ASN 280 N -3.20 7.32 -0.28 3.99 0.02 -1.26 -5.03 114.94 116.51 1xsj s ASN 280 Ca 0.68 1.68 -0.25 0.00 -1.02 0.00 0.00 52.86 53.95 1xsj s ASN 280 Cb -0.18 -2.51 0.10 0.00 0.02 0.00 0.00 41.25 38.67 1xsj s ASN 280 CO 0.60 0.08 0.92 -0.72 0.02 0.00 0.00 177.10 178.00 1xsj s TYR 281 N -1.38 -0.59 0.06 2.20 1.13 -1.26 -5.03 117.35 112.47 1xsj s TYR 281 Ca 0.42 1.44 0.00 0.00 -1.41 0.00 0.00 57.07 57.53 1xsj s TYR 281 Cb -0.21 0.33 -0.00 0.00 -1.10 0.00 0.00 41.96 40.98 1xsj s TYR 281 CO 0.25 -0.28 0.06 -0.40 -2.51 0.00 0.00 175.55 172.67 1xsj n ASP 282 N 2.40 -0.17 -0.23 -0.18 5.75 -1.26 -4.92 116.55 117.93 1xsj n ASP 282 Ca -0.13 -1.34 -0.04 0.00 -0.01 0.00 0.00 54.79 53.27 1xsj n ASP 282 Cb 0.56 0.35 0.06 0.00 -1.03 0.00 0.00 41.12 41.06 1xsj n ASP 282 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xsj h GLU 283 N 0.00 0.81 -0.85 0.11 4.81 -1.97 -2.62 114.58 114.87 1xsj h GLU 283 Ca -0.04 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1xsj h GLU 283 Cb 0.20 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1xsj h GLU 283 CO 0.06 0.54 0.56 0.00 -0.73 0.00 0.00 179.01 179.43 1xsj h ALA 284 N 1.27 1.59 -0.34 2.92 0.00 -1.97 -0.82 119.26 121.90 1xsj h ALA 284 Ca 0.26 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1xsj h ALA 284 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1xsj h ALA 284 CO -0.08 0.27 -0.33 1.15 0.00 0.00 0.00 179.25 180.26 1xsj h THR 285 N 0.92 1.29 0.02 0.00 2.02 -1.89 -1.18 112.91 114.09 1xsj h THR 285 Ca 0.37 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 1xsj h THR 285 Cb 0.26 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1xsj h THR 285 CO -0.14 0.49 -0.01 0.58 0.37 0.00 0.00 175.52 176.81 1xsj h VAL 286 N 0.61 1.06 -0.66 3.16 2.07 -1.09 -2.26 116.25 119.14 1xsj h VAL 286 Ca 0.06 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.43 1xsj h VAL 286 Cb 0.91 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 1xsj h VAL 286 CO 0.08 0.06 0.29 0.78 0.02 0.00 0.00 177.57 178.81 1xsj h ASN 287 N -0.13 0.35 -0.89 0.57 2.35 -1.16 -0.01 115.58 116.66 1xsj h ASN 287 Ca -0.00 0.07 0.21 0.00 -0.55 0.00 0.00 56.30 56.03 1xsj h ASN 287 Cb 0.12 0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.39 1xsj h ASN 287 CO 0.00 0.20 0.40 -1.28 -1.65 0.00 0.00 177.43 175.10 1xsj h SER 288 N 0.50 0.36 -0.03 5.81 0.87 -0.83 -1.01 113.55 119.22 1xsj h SER 288 Ca 0.33 0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.94 1xsj h SER 288 Cb 0.38 0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1xsj h SER 288 CO -0.29 0.03 -0.35 -0.26 -0.53 0.00 0.00 176.83 175.43 1xsj h PHE 289 N 0.43 0.42 -0.09 2.24 -1.00 -0.45 -0.67 116.94 117.81 1xsj h PHE 289 Ca 0.54 -0.20 -0.01 0.00 2.81 0.00 0.00 57.97 61.11 1xsj h PHE 289 Cb 1.00 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 40.50 1xsj h PHE 289 CO -0.13 0.97 0.04 0.82 -1.61 0.00 0.00 178.31 178.40 1xsj h ILE 290 N -0.26 1.15 -0.78 -0.55 2.04 -1.08 0.57 117.51 118.61 1xsj h ILE 290 Ca -0.03 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1xsj h ILE 290 Cb 1.04 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1xsj h ILE 290 CO 0.07 0.13 0.29 0.44 0.00 0.00 0.00 178.15 179.08 1xsj h ASP 291 N -0.02 1.09 -0.88 1.72 3.32 -1.30 -0.79 116.42 119.56 1xsj h ASP 291 Ca 0.03 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.92 1xsj h ASP 291 Cb 0.18 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1xsj h ASP 291 CO -0.00 0.98 0.58 1.23 -1.72 0.00 0.00 179.24 180.31 1xsj h GLY 292 N 1.15 1.24 0.71 2.75 0.00 -0.84 0.15 103.07 108.23 1xsj h GLY 292 Ca 0.26 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1xsj h GLY 292 CO -0.02 0.43 -0.09 -0.33 0.00 0.00 0.00 176.54 176.53 1xsj h MET 293 N 1.16 0.27 0.10 4.80 2.86 -0.51 -3.11 114.93 120.50 1xsj h MET 293 Ca 0.33 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1xsj h MET 293 Cb -0.09 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1xsj h MET 293 CO -0.08 0.65 -0.12 0.00 1.06 0.00 0.00 176.91 178.41 1xsj h ALA 294 N 0.62 -0.23 -0.14 6.32 0.00 -0.84 0.28 119.26 125.28 1xsj h ALA 294 Ca 0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xsj h ALA 294 Cb 0.58 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1xsj h ALA 294 CO 0.02 -0.65 0.19 0.93 0.00 0.00 0.00 179.25 179.74 1xsj h GLU 295 N -0.26 0.00 -0.52 0.00 5.08 -0.76 0.18 114.58 118.30 1xsj h GLU 295 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xsj h GLU 295 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xsj h GLU 295 CO -0.05 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.50 1xsj n ARG 296 N -3.65 3.41 -3.97 2.33 1.74 -1.12 -4.96 116.66 110.43 1xsj n ARG 296 Ca 0.01 -2.71 -0.29 0.00 -0.77 0.00 0.00 57.85 54.08 1xsj n ARG 296 Cb 0.29 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1xsj n ARG 296 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xsj n ASN 297 N 0.71 -2.79 -4.39 0.55 3.02 0.63 -4.95 115.26 108.04 1xsj n ASN 297 Ca 0.22 -0.90 -0.44 0.00 -0.03 0.00 0.00 54.58 53.43 1xsj n ASN 297 Cb 0.79 -3.42 -0.08 0.00 -0.61 0.00 0.00 39.78 36.46 1xsj n ASN 297 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xsj s LEU 298 N -7.11 5.61 0.55 3.41 1.43 0.98 -4.92 118.68 118.62 1xsj s LEU 298 Ca 0.43 -1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 52.00 1xsj s LEU 298 Cb -0.22 -2.19 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 1xsj s LEU 298 CO 0.87 -0.65 1.09 -2.65 0.23 0.00 0.00 176.35 175.23 1xsj n PRO 299 N 5.23 1.23 -3.71 1.29 -0.02 -1.26 -4.21 135.00 133.55 1xsj n PRO 299 Ca -0.12 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.71 1xsj n PRO 299 Cb 0.44 -2.26 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 1xsj n PRO 299 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xsj s LEU 300 N -2.12 0.11 -0.00 2.45 1.98 -1.26 -4.85 118.68 114.98 1xsj s LEU 300 Ca 0.72 0.74 0.01 0.00 -2.89 0.00 0.00 54.13 52.70 1xsj s LEU 300 Cb -0.45 1.09 -0.01 0.00 0.66 0.00 0.00 46.19 47.48 1xsj s LEU 300 CO 0.50 -0.18 0.01 1.41 -1.89 0.00 0.00 176.35 176.19 1xsj n HIS 301 N 4.27 0.00 -3.75 5.38 8.25 -0.27 -4.82 115.22 124.28 1xsj n HIS 301 Ca -0.24 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.08 1xsj n HIS 301 Cb 0.54 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.49 1xsj n HIS 301 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xsj s VAL 302 N -2.03 -0.05 -0.07 1.59 1.01 -0.84 -1.40 120.40 118.61 1xsj s VAL 302 Ca -0.00 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1xsj s VAL 302 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1xsj s VAL 302 CO 0.02 0.07 -0.09 0.12 0.00 0.00 0.00 175.10 175.22 1xsj s PHE 303 N 1.12 2.87 -0.14 5.22 5.36 -0.48 -0.78 117.98 131.15 1xsj s PHE 303 Ca -0.09 -0.07 0.02 0.00 -0.96 0.00 0.00 56.93 55.83 1xsj s PHE 303 Cb -0.11 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 1xsj s PHE 303 CO -0.06 0.25 -0.20 -1.58 -1.46 0.00 0.00 175.22 172.17 1xsj s HIS 304 N -0.67 2.69 -0.43 10.12 5.65 0.15 -1.18 115.29 131.62 1xsj s HIS 304 Ca 0.10 -1.15 -0.24 0.00 0.25 0.00 0.00 55.06 54.02 1xsj s HIS 304 Cb -0.11 -1.82 0.02 0.00 -1.18 0.00 0.00 32.58 29.49 1xsj s HIS 304 CO 0.01 -0.51 0.81 -0.06 -0.65 0.00 0.00 174.74 174.35 1xsj s PHE 305 N 0.70 3.01 0.14 3.88 0.08 -0.19 -1.75 117.98 123.84 1xsj s PHE 305 Ca -0.09 0.32 -0.02 0.00 0.12 0.00 0.00 56.93 57.26 1xsj s PHE 305 Cb -0.16 -3.65 0.03 0.00 -0.57 0.00 0.00 43.02 38.67 1xsj s PHE 305 CO 0.01 -0.94 0.18 -3.47 -0.10 0.00 0.00 175.22 170.91 1xsj n ASP 306 N 6.72 0.02 -0.33 1.36 2.03 -1.26 -0.84 116.55 124.25 1xsj n ASP 306 Ca 0.03 -1.07 0.24 0.00 0.52 0.00 0.00 54.79 54.51 1xsj n ASP 306 Cb 0.48 -0.14 0.47 0.00 -0.72 0.00 0.00 41.12 41.21 1xsj n ASP 306 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xsj n PHE 308 N -5.12 0.00 0.17 0.00 3.72 -1.26 -2.18 117.46 112.78 1xsj n PHE 308 Ca 0.31 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.74 1xsj n PHE 308 Cb 0.99 -0.06 0.26 0.00 -0.94 0.00 0.00 39.48 39.74 1xsj n PHE 308 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 176.76 176.82 1xsj h TRP 309 N 0.04 0.00 -3.14 1.38 5.08 -1.66 -3.44 115.95 114.21 1xsj h TRP 309 Ca 0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1xsj h TRP 309 Cb 0.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 1xsj h TRP 309 CO 0.00 0.47 -0.11 -1.64 -1.28 0.00 0.00 178.44 175.89 1xsj s MET 310 N -3.60 3.57 0.37 0.12 -1.94 -0.93 -0.03 119.30 116.86 1xsj s MET 310 Ca -0.00 -0.07 -0.28 0.00 -1.71 0.00 0.00 55.69 53.63 1xsj s MET 310 Cb 0.12 -2.60 -0.10 0.00 2.01 0.00 0.00 34.83 34.26 1xsj s MET 310 CO 0.72 0.11 1.33 0.15 -0.01 0.00 0.00 175.02 177.32 1xsj s LYS 311 N -4.02 4.17 0.34 2.03 1.02 -1.26 -4.73 119.74 117.29 1xsj s LYS 311 Ca 0.43 2.24 -0.27 0.00 0.02 0.00 0.00 55.97 58.40 1xsj s LYS 311 Cb -0.10 -2.93 -0.13 0.00 -0.52 0.00 0.00 37.83 34.15 1xsj s LYS 311 CO 0.35 -0.36 1.01 0.00 -0.92 0.00 0.00 175.35 175.43 1xsj n ALA 312 N 0.48 -0.04 -0.86 5.17 0.00 -1.26 -1.95 120.51 122.05 1xsj n ALA 312 Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1xsj n ALA 312 Cb 0.42 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1xsj n ALA 312 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xsj n PHE 313 N -0.05 0.00 -0.26 0.00 3.72 -1.26 -4.77 117.46 114.84 1xsj n PHE 313 Ca 0.09 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.52 1xsj n PHE 313 Cb 0.35 -1.12 0.06 0.00 -0.94 0.00 0.00 39.48 37.83 1xsj n PHE 313 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xsj n GLN 314 N -1.14 2.69 -1.70 -1.08 6.02 -0.82 -3.87 117.38 117.49 1xsj n GLN 314 Ca 0.00 -1.85 -0.44 0.00 -0.01 0.00 0.00 57.00 54.70 1xsj n GLN 314 Cb 0.18 -1.18 -0.03 0.00 1.02 0.00 0.00 30.24 30.24 1xsj n GLN 314 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1xsj n TRP 315 N -0.47 2.46 -3.24 1.08 8.01 -1.25 -2.55 117.44 121.48 1xsj n TRP 315 Ca 0.06 0.28 -0.16 0.00 -1.31 0.00 0.00 57.50 56.37 1xsj n TRP 315 Cb 0.38 -2.55 0.07 0.00 -2.01 0.00 0.00 31.31 27.19 1xsj n TRP 315 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1xsj n ASP 317 N -2.30 0.83 -0.02 0.00 5.75 -1.06 -4.73 116.55 115.02 1xsj n ASP 317 Ca -0.10 -0.79 -0.00 0.00 -0.01 0.00 0.00 54.79 53.89 1xsj n ASP 317 Cb 0.59 1.14 -0.00 0.00 -1.03 0.00 0.00 41.12 41.82 1xsj n ASP 317 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1xsj n PHE 318 N -1.56 0.00 -3.82 2.11 3.72 -1.26 -5.01 117.46 111.63 1xsj n PHE 318 Ca 0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.07 1xsj n PHE 318 Cb 0.33 -0.26 -0.09 0.00 -0.94 0.00 0.00 39.48 38.52 1xsj n PHE 318 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xsj s GLU 319 N -0.58 4.09 0.31 -1.08 0.41 -1.26 -5.06 118.70 115.53 1xsj s GLU 319 Ca 0.00 -0.28 -0.29 0.00 -0.41 0.00 0.00 54.97 53.99 1xsj s GLU 319 Cb 0.00 -3.36 -0.10 0.00 -1.78 0.00 0.00 34.13 28.89 1xsj s GLU 319 CO 0.00 0.25 1.35 -1.58 -0.49 0.00 0.00 175.26 174.79 1xsj s TRP 320 N 0.47 3.03 -0.08 1.61 0.52 -1.26 -4.11 118.94 119.12 1xsj s TRP 320 Ca 0.06 1.29 -0.29 0.00 0.02 0.00 0.00 56.10 57.18 1xsj s TRP 320 Cb -0.12 -3.73 -0.06 0.00 -1.15 0.00 0.00 33.47 28.41 1xsj s TRP 320 CO -0.00 -2.13 1.89 0.34 0.02 0.00 0.00 176.95 177.07 1xsj s ASP 321 N -0.20 6.27 0.23 2.95 -1.08 0.95 -4.82 116.67 120.97 1xsj s ASP 321 Ca 0.52 2.22 0.25 0.00 -0.52 0.00 0.00 52.55 55.02 1xsj s ASP 321 Cb -0.40 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.44 1xsj s ASP 321 CO 0.50 -1.26 1.74 -2.65 0.52 0.00 0.00 175.17 174.02 1xsj n PRO 322 N 7.74 0.21 0.07 4.34 -0.02 -1.26 -1.02 135.00 145.06 1xsj n PRO 322 Ca 0.21 0.33 -0.23 0.00 -2.02 0.00 0.00 63.50 61.79 1xsj n PRO 322 Cb 0.43 -1.83 -0.15 0.00 -0.02 0.00 0.00 33.50 31.93 1xsj n PRO 322 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xsj h LEU 323 N 0.00 0.61 0.00 2.45 3.38 -1.97 -3.28 115.31 116.50 1xsj h LEU 323 Ca 0.00 -0.92 -0.24 0.00 0.09 0.00 0.00 57.88 56.81 1xsj h LEU 323 Cb 0.51 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1xsj h LEU 323 CO 0.00 1.73 -1.62 0.35 0.09 0.00 0.00 178.44 178.99 1xsj n THR 324 N -3.70 1.38 -3.41 0.22 -2.24 -1.16 -4.59 114.28 100.78 1xsj n THR 324 Ca -0.23 -0.75 -0.26 0.00 -2.27 0.00 0.00 64.05 60.54 1xsj n THR 324 Cb 1.04 -0.85 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 1xsj n THR 324 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1xsj n PHE 325 N -2.94 1.07 0.28 4.78 3.72 -0.19 -3.24 117.46 120.94 1xsj n PHE 325 Ca -0.14 -3.77 0.16 0.00 -0.05 0.00 0.00 57.45 53.65 1xsj n PHE 325 Cb 0.95 -0.30 0.75 0.00 -0.94 0.00 0.00 39.48 39.94 1xsj n PHE 325 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xsj h PRO 326 N 4.67 0.00 -2.19 -1.08 0.11 -1.73 -3.35 132.00 128.44 1xsj h PRO 326 Ca 0.16 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.69 1xsj h PRO 326 Cb 0.81 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.53 1xsj h PRO 326 CO 0.57 0.06 -0.94 -3.47 -0.21 0.00 0.00 178.00 174.02 1xsj n ASP 327 N -3.24 1.01 0.10 -2.05 2.03 -1.26 -5.02 116.55 108.12 1xsj n ASP 327 Ca -0.01 -2.83 -0.12 0.00 0.52 0.00 0.00 54.79 52.36 1xsj n ASP 327 Cb 0.27 -0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 39.98 1xsj n ASP 327 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xsj h PRO 328 N 4.46 -0.31 -0.28 -0.67 0.11 -1.98 -1.02 132.00 132.31 1xsj h PRO 328 Ca 0.14 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 1xsj h PRO 328 Cb 0.83 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1xsj h PRO 328 CO 0.54 -0.21 -0.01 1.49 -0.21 0.00 0.00 178.00 179.60 1xsj h GLU 329 N -0.32 0.50 -0.25 1.05 4.81 -1.96 -0.84 114.58 117.58 1xsj h GLU 329 Ca 0.02 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1xsj h GLU 329 Cb 0.33 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 1xsj h GLU 329 CO -0.09 0.67 -0.42 0.78 -0.73 0.00 0.00 179.01 179.23 1xsj h GLY 330 N 0.28 -0.62 0.32 1.92 0.00 -1.91 1.00 103.07 104.05 1xsj h GLY 330 Ca 0.08 0.52 0.04 0.00 0.00 0.00 0.00 47.33 47.97 1xsj h GLY 330 CO 0.02 -0.21 -0.24 1.98 0.00 0.00 0.00 176.54 178.09 1xsj h MET 331 N -0.41 -0.31 0.00 4.80 1.85 -0.98 -0.51 114.93 119.37 1xsj h MET 331 Ca 0.10 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.23 1xsj h MET 331 Cb 0.60 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.68 1xsj h MET 331 CO -0.47 -0.21 -0.10 0.82 -0.40 0.00 0.00 176.91 176.56 1xsj h ILE 332 N -0.32 0.75 -0.38 1.77 2.04 -0.72 -1.09 117.51 119.56 1xsj h ILE 332 Ca 0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.03 1xsj h ILE 332 Cb 0.46 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 1xsj h ILE 332 CO -0.29 0.00 -0.10 -0.09 0.00 0.00 0.00 178.15 177.67 1xsj h ARG 333 N -0.17 -0.01 -0.98 2.37 2.43 -0.45 0.89 114.38 118.46 1xsj h ARG 333 Ca 0.04 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.34 1xsj h ARG 333 Cb 0.22 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.69 1xsj h ARG 333 CO -0.10 -0.01 0.62 -0.09 -1.51 0.00 0.00 179.97 178.88 1xsj h ARG 334 N -0.01 0.89 -0.25 0.20 2.43 -0.81 -2.40 114.38 114.44 1xsj h ARG 334 Ca 0.18 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 1xsj h ARG 334 Cb 0.29 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1xsj h ARG 334 CO -0.40 0.59 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.23 1xsj h LEU 335 N 0.92 0.74 -1.97 3.80 3.38 0.25 -3.17 115.31 119.25 1xsj h LEU 335 Ca 0.50 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xsj h LEU 335 Cb 0.57 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xsj h LEU 335 CO -0.26 1.11 -0.07 0.50 0.09 0.00 0.00 178.44 179.80 1xsj h LYS 336 N 0.40 0.00 -0.49 1.13 1.63 -0.60 -2.44 116.57 116.20 1xsj h LYS 336 Ca 0.03 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.71 1xsj h LYS 336 Cb 0.94 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 1xsj h LYS 336 CO 0.08 0.07 -0.15 0.00 -3.45 0.00 0.00 179.45 176.00 1xsj h ALA 337 N 1.93 0.80 0.00 5.00 0.00 -1.41 -1.70 119.26 123.87 1xsj h ALA 337 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xsj h ALA 337 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xsj h ALA 337 CO 0.01 0.66 0.00 1.63 0.00 0.00 0.00 179.25 181.55 1xsj n LYS 338 N -4.13 0.30 -0.22 0.00 5.02 -0.92 -4.85 118.16 113.36 1xsj n LYS 338 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1xsj n LYS 338 Cb 0.42 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1xsj n LYS 338 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsj n GLY 339 N -0.37 1.21 3.77 0.72 0.00 -0.64 -5.05 105.19 104.83 1xsj n GLY 339 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1xsj n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsj s LEU 340 N 0.00 4.12 0.33 0.99 1.43 -1.24 -5.00 118.68 119.31 1xsj s LEU 340 Ca 0.00 2.47 -0.09 0.00 -1.03 0.00 0.00 54.13 55.47 1xsj s LEU 340 Cb 0.00 -4.06 -0.06 0.00 0.03 0.00 0.00 46.19 42.09 1xsj s LEU 340 CO 0.00 -0.87 0.66 -0.54 0.23 0.00 0.00 176.35 175.83 1xsj s LYS 341 N -2.44 3.76 -0.08 1.70 -0.14 -0.49 -4.44 119.74 117.61 1xsj s LYS 341 Ca 0.60 0.32 0.05 0.00 -1.36 0.00 0.00 55.97 55.57 1xsj s LYS 341 Cb -0.33 -2.52 -0.00 0.00 -1.68 0.00 0.00 37.83 33.29 1xsj s LYS 341 CO 0.41 0.13 -0.24 0.42 -0.76 0.00 0.00 175.35 175.31 1xsj s ILE 342 N -2.14 2.02 0.12 2.17 1.01 -1.26 -1.39 121.20 121.73 1xsj s ILE 342 Ca 0.49 -1.01 0.11 0.00 0.00 0.00 0.00 60.65 60.23 1xsj s ILE 342 Cb -0.11 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1xsj s ILE 342 CO 0.27 0.55 -0.27 0.00 0.00 0.00 0.00 174.94 175.50 1xsj s VAL 344 N -1.03 0.63 0.14 0.00 -7.23 -1.17 -1.03 120.40 110.72 1xsj s VAL 344 Ca 0.14 -0.99 -0.31 0.00 -1.81 0.00 0.00 61.98 59.01 1xsj s VAL 344 Cb -0.10 -0.66 -0.08 0.00 0.56 0.00 0.00 36.38 36.10 1xsj s VAL 344 CO 0.06 -0.27 1.29 0.86 -0.31 0.00 0.00 175.10 176.72 1xsj s TRP 345 N -1.17 3.33 0.23 2.82 -0.00 -0.02 -1.88 118.94 122.25 1xsj s TRP 345 Ca -0.07 1.19 0.03 0.00 -0.00 0.00 0.00 56.10 57.25 1xsj s TRP 345 Cb -0.09 -3.55 -0.05 0.00 -0.00 0.00 0.00 33.47 29.78 1xsj s TRP 345 CO 0.01 -1.78 0.02 0.96 -0.00 0.00 0.00 176.95 176.16 1xsj s ILE 346 N 0.62 0.91 0.32 5.86 -4.36 -0.65 -4.90 121.20 119.00 1xsj s ILE 346 Ca 0.59 -2.02 -0.08 0.00 -0.26 0.00 0.00 60.65 58.88 1xsj s ILE 346 Cb -0.34 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 40.99 1xsj s ILE 346 CO 0.33 -0.27 0.54 0.54 0.24 0.00 0.00 174.94 176.32 1xsj s ASN 347 N -3.30 0.43 -0.46 4.36 4.22 -1.26 -2.08 114.94 116.85 1xsj s ASN 347 Ca 0.30 -1.25 0.04 0.00 -2.14 0.00 0.00 52.86 49.81 1xsj s ASN 347 Cb 0.06 0.68 0.64 0.00 1.28 0.00 0.00 41.25 43.91 1xsj s ASN 347 CO 0.09 -1.34 1.90 -0.81 -2.04 0.00 0.00 177.10 174.91 1xsj n PRO 348 N -0.50 2.27 -4.45 3.55 -0.04 -1.26 -4.82 135.00 129.74 1xsj n PRO 348 Ca -0.02 -3.05 -0.22 0.00 -0.04 0.00 0.00 63.50 60.17 1xsj n PRO 348 Cb 0.61 -2.17 -0.10 0.00 -0.04 0.00 0.00 33.50 31.80 1xsj n PRO 348 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xsj s TYR 349 N -3.35 2.00 -0.10 0.54 2.02 -1.26 -2.20 117.35 115.01 1xsj s TYR 349 Ca 0.57 -0.75 -0.07 0.00 -0.37 0.00 0.00 57.07 56.46 1xsj s TYR 349 Cb 0.48 -1.20 0.04 0.00 -0.40 0.00 0.00 41.96 40.87 1xsj s TYR 349 CO 0.09 0.24 0.24 -1.50 -1.57 0.00 0.00 175.55 173.05 1xsj s ILE 350 N -3.04 -0.02 0.32 2.71 2.07 -0.25 -3.86 121.20 119.13 1xsj s ILE 350 Ca 0.31 0.08 -0.21 0.00 -1.41 0.00 0.00 60.65 59.43 1xsj s ILE 350 Cb 0.05 -0.36 -0.10 0.00 0.13 0.00 0.00 42.46 42.19 1xsj s ILE 350 CO 0.13 0.03 0.85 -0.83 -1.91 0.00 0.00 174.94 173.21 1xsj s GLY 351 N 0.75 2.56 0.44 1.50 0.00 -1.13 -1.61 107.32 109.83 1xsj s GLY 351 Ca -0.05 0.31 0.15 0.00 0.00 0.00 0.00 44.72 45.13 1xsj s GLY 351 CO -0.05 0.64 1.96 -1.61 0.00 0.00 0.00 173.10 174.05 1xsj h GLN 352 N 2.75 0.37 -0.10 2.90 4.15 -1.42 -2.62 115.11 121.14 1xsj h GLN 352 Ca -0.48 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 58.95 1xsj h GLN 352 Cb 1.19 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 1xsj h GLN 352 CO 0.64 0.24 0.11 -0.22 -1.93 0.00 0.00 178.83 177.68 1xsj h LYS 353 N 0.38 0.00 -6.64 1.69 3.64 -1.78 -3.44 116.57 110.42 1xsj h LYS 353 Ca 0.31 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 59.16 1xsj h LYS 353 Cb 0.70 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.56 1xsj h LYS 353 CO -0.09 0.00 0.79 0.45 -2.27 0.00 0.00 179.45 178.33 1xsj s SER 354 N -5.91 6.69 0.61 4.20 0.15 -0.99 -4.84 113.70 113.60 1xsj s SER 354 Ca -0.05 2.54 0.27 0.00 0.70 0.00 0.00 55.95 59.41 1xsj s SER 354 Cb 0.15 -2.60 1.31 0.00 -1.71 0.00 0.00 66.02 63.17 1xsj s SER 354 CO 0.54 -0.72 1.73 -0.65 1.20 0.00 0.00 173.24 175.33 1xsj h PRO 355 N 6.18 0.00 0.00 5.44 0.11 -1.91 -0.26 132.00 141.57 1xsj h PRO 355 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xsj h PRO 355 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xsj h PRO 355 CO 0.85 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.92 1xsj h VAL 356 N 0.00 0.00 -0.26 3.15 2.07 -1.92 -3.36 116.25 115.93 1xsj h VAL 356 Ca 0.22 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1xsj h VAL 356 Cb 1.49 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 1xsj h VAL 356 CO -0.00 0.00 0.16 0.15 0.02 0.00 0.00 177.57 177.90 1xsj h PHE 357 N 0.00 0.33 -0.86 1.57 3.04 -1.32 -1.59 116.94 118.11 1xsj h PHE 357 Ca 0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1xsj h PHE 357 Cb 0.90 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.26 1xsj h PHE 357 CO 0.00 0.24 0.49 -0.22 -2.02 0.00 0.00 178.31 176.80 1xsj h LYS 358 N 0.33 1.18 -0.56 1.11 3.64 -1.77 -0.83 116.57 119.68 1xsj h LYS 358 Ca 0.09 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1xsj h LYS 358 Cb -0.00 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 1xsj h LYS 358 CO -0.02 0.85 0.32 1.49 -2.27 0.00 0.00 179.45 179.83 1xsj h GLU 359 N 1.20 0.61 -0.29 1.90 4.81 -1.62 0.31 114.58 121.50 1xsj h GLU 359 Ca 0.31 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1xsj h GLU 359 Cb -0.00 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1xsj h GLU 359 CO -0.05 0.40 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.49 1xsj h LEU 360 N 0.63 0.56 -0.05 1.64 3.38 -0.74 -1.03 115.31 119.70 1xsj h LEU 360 Ca 0.23 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1xsj h LEU 360 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xsj h LEU 360 CO -0.12 0.79 -0.03 -0.61 0.09 0.00 0.00 178.44 178.56 1xsj h GLN 361 N 0.31 -0.03 -0.69 1.13 4.15 -1.06 0.13 115.11 119.05 1xsj h GLN 361 Ca 0.07 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.54 1xsj h GLN 361 Cb 0.55 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 1xsj h GLN 361 CO 0.03 -0.02 0.41 0.93 -1.93 0.00 0.00 178.83 178.25 1xsj h GLU 362 N -0.03 0.74 0.00 1.69 5.08 -0.83 -2.24 114.58 119.00 1xsj h GLU 362 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xsj h GLU 362 Cb 0.07 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1xsj h GLU 362 CO -0.07 0.49 0.00 0.87 -1.00 0.00 0.00 179.01 179.31 1xsj h LYS 363 N 0.77 0.00 -0.97 2.33 1.57 -0.99 -3.47 116.57 115.81 1xsj h LYS 363 Ca 0.30 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 1xsj h LYS 363 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.44 1xsj h LYS 363 CO -0.16 0.00 -0.11 0.41 -0.57 0.00 0.00 179.45 179.02 1xsj n GLY 364 N 0.78 0.34 0.34 3.86 0.00 0.31 -4.95 105.19 105.87 1xsj n GLY 364 Ca 0.04 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.54 1xsj n GLY 364 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xsj n TYR 365 N -3.70 0.00 -4.30 1.61 4.01 -0.45 -4.91 117.16 109.41 1xsj n TYR 365 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.37 1xsj n TYR 365 Cb 0.53 -0.05 -0.09 0.00 -0.31 0.00 0.00 39.34 39.42 1xsj n TYR 365 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsj s LEU 366 N -2.18 3.56 -0.08 7.72 1.43 -1.26 -1.71 118.68 126.16 1xsj s LEU 366 Ca 0.34 0.04 -0.38 0.00 -1.03 0.00 0.00 54.13 53.11 1xsj s LEU 366 Cb 0.21 -1.98 -0.16 0.00 0.03 0.00 0.00 46.19 44.28 1xsj s LEU 366 CO 0.40 0.31 1.52 -0.11 0.23 0.00 0.00 176.35 178.70 1xsj n LEU 367 N 1.58 1.98 -4.72 1.79 7.94 0.49 -4.78 117.00 121.29 1xsj n LEU 367 Ca -0.15 1.10 -0.28 0.00 -1.11 0.00 0.00 56.01 55.57 1xsj n LEU 367 Cb 0.53 -1.17 -0.07 0.00 0.53 0.00 0.00 43.42 43.24 1xsj n LEU 367 CO 0.33 -0.77 -0.29 -0.54 -1.11 0.00 0.00 177.39 175.01 1xsj s LYS 368 N 1.88 2.62 0.74 1.96 1.02 -1.26 -1.35 119.74 125.35 1xsj s LYS 368 Ca 0.91 -0.94 -0.11 0.00 0.02 0.00 0.00 55.97 55.85 1xsj s LYS 368 Cb -1.01 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 33.82 1xsj s LYS 368 CO 0.55 0.49 1.09 1.03 -0.92 0.00 0.00 175.35 177.60 1xsj s ARG 369 N -2.79 2.59 0.64 1.68 0.52 0.08 -0.64 118.95 121.03 1xsj s ARG 369 Ca 0.28 0.60 0.37 0.00 -0.52 0.00 0.00 55.73 56.47 1xsj s ARG 369 Cb -0.10 -1.98 2.06 0.00 0.52 0.00 0.00 34.95 35.45 1xsj s ARG 369 CO 0.20 -1.26 2.22 -1.35 0.02 0.00 0.00 175.30 175.14 1xsj h PRO 370 N -0.82 0.00 -0.00 3.54 0.11 -1.84 -0.66 132.00 132.32 1xsj h PRO 370 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xsj h PRO 370 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xsj h PRO 370 CO 0.61 0.00 -0.05 -0.40 -0.21 0.00 0.00 178.00 177.95 1xsj n ASP 371 N -3.28 0.41 0.00 -2.05 5.75 -1.26 -4.92 116.55 111.20 1xsj n ASP 371 Ca -0.02 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 1xsj n ASP 371 Cb 0.18 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1xsj n ASP 371 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsj n GLY 372 N 1.18 3.13 3.75 6.12 0.00 -0.25 -5.07 105.19 114.05 1xsj n GLY 372 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1xsj n GLY 372 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsj s SER 373 N -1.11 4.17 0.33 1.61 1.04 -1.26 -4.78 113.70 113.70 1xsj s SER 373 Ca 0.00 1.65 -0.28 0.00 0.48 0.00 0.00 55.95 57.80 1xsj s SER 373 Cb 0.00 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.67 1xsj s SER 373 CO 0.00 -2.22 1.14 -0.76 0.98 0.00 0.00 173.24 172.38 1xsj s LEU 374 N -6.00 4.39 -0.03 2.42 1.43 -1.26 -0.74 118.68 118.88 1xsj s LEU 374 Ca 0.62 2.32 -0.30 0.00 -1.03 0.00 0.00 54.13 55.74 1xsj s LEU 374 Cb -0.17 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 1xsj s LEU 374 CO 0.56 -0.38 1.09 0.86 0.23 0.00 0.00 176.35 178.71 1xsj s TRP 375 N -1.29 3.45 0.02 0.29 -0.00 -0.46 -4.61 118.94 116.34 1xsj s TRP 375 Ca 0.50 1.46 -0.03 0.00 -0.00 0.00 0.00 56.10 58.03 1xsj s TRP 375 Cb -0.31 -3.28 -0.01 0.00 -0.00 0.00 0.00 33.47 29.87 1xsj s TRP 375 CO 0.40 -0.66 0.05 -0.65 -0.00 0.00 0.00 176.95 176.09 1xsj s GLN 376 N 1.64 0.42 0.34 5.86 -0.21 -1.26 -4.46 119.66 122.00 1xsj s GLN 376 Ca 0.53 -0.57 -0.05 0.00 0.02 0.00 0.00 55.36 55.29 1xsj s GLN 376 Cb -0.23 0.16 0.02 0.00 1.00 0.00 0.00 33.01 33.97 1xsj s GLN 376 CO 0.24 -0.09 0.54 -2.67 -2.12 0.00 0.00 175.29 171.19 1xsj n TRP 377 N 1.39 -1.65 -0.14 0.91 2.14 -0.93 -4.95 117.44 114.21 1xsj n TRP 377 Ca -0.23 -2.07 0.07 0.00 2.07 0.00 0.00 57.50 57.35 1xsj n TRP 377 Cb 0.56 0.62 0.19 0.00 -0.81 0.00 0.00 31.31 31.86 1xsj n TRP 377 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1xsj n ASP 378 N -1.61 3.13 -4.76 -0.67 8.00 -1.26 -0.43 116.55 118.94 1xsj n ASP 378 Ca -0.02 -1.96 -0.39 0.00 0.71 0.00 0.00 54.79 53.13 1xsj n ASP 378 Cb 0.55 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1xsj n ASP 378 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xsj s LYS 379 N -1.03 4.56 0.00 -1.24 1.02 -1.26 -4.42 119.74 117.37 1xsj s LYS 379 Ca 0.29 1.66 0.00 0.00 0.02 0.00 0.00 55.97 57.95 1xsj s LYS 379 Cb 0.16 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 1xsj s LYS 379 CO 0.21 0.18 0.00 1.87 -0.92 0.00 0.00 175.35 176.69 1xsj n TRP 380 N 0.91 0.00 -4.38 3.18 -0.00 -1.26 -4.74 117.44 111.15 1xsj n TRP 380 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.23 1xsj n TRP 380 Cb 0.46 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.65 1xsj n TRP 380 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xsj s GLN 381 N 0.00 1.39 0.20 5.87 -1.52 -1.26 -5.01 119.66 119.33 1xsj s GLN 381 Ca 0.00 -1.39 -0.32 0.00 -1.95 0.00 0.00 55.36 51.70 1xsj s GLN 381 Cb 0.00 -1.77 -0.11 0.00 -0.22 0.00 0.00 33.01 30.91 1xsj s GLN 381 CO 0.00 0.40 1.63 -2.14 -0.25 0.00 0.00 175.29 174.93 1xsj s PRO 382 N -2.32 4.17 -1.59 2.91 0.02 -1.26 -2.87 135.00 134.07 1xsj s PRO 382 Ca 0.16 2.48 -0.02 0.00 0.02 0.00 0.00 61.00 63.63 1xsj s PRO 382 Cb -0.09 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.33 1xsj s PRO 382 CO 0.07 -0.66 0.23 0.41 -0.33 0.00 0.00 177.00 176.72 1xsj n GLY 383 N 3.68 -0.51 3.73 0.52 0.00 -1.13 -2.00 105.19 109.48 1xsj n GLY 383 Ca 0.14 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xsj n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsj n LEU 384 N -3.37 4.15 -4.54 0.99 0.00 0.42 -3.40 117.00 111.25 1xsj n LEU 384 Ca -0.18 1.11 -0.25 0.00 0.00 0.00 0.00 56.01 56.70 1xsj n LEU 384 Cb 0.65 -1.58 -0.11 0.00 0.00 0.00 0.00 43.42 42.38 1xsj n LEU 384 CO 0.35 0.13 -0.31 0.00 0.00 0.00 0.00 177.39 177.56 1xsj s ALA 385 N 0.46 2.82 -0.09 1.96 0.00 -0.63 -2.20 121.76 124.07 1xsj s ALA 385 Ca 0.69 -2.16 0.04 0.00 0.00 0.00 0.00 51.96 50.53 1xsj s ALA 385 Cb -0.51 0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1xsj s ALA 385 CO 0.42 -0.13 -0.22 0.42 0.00 0.00 0.00 175.76 176.24 1xsj s ILE 386 N -2.89 1.93 0.05 0.00 1.01 -1.26 -1.09 121.20 118.95 1xsj s ILE 386 Ca 0.34 -0.94 -0.31 0.00 0.00 0.00 0.00 60.65 59.74 1xsj s ILE 386 Cb 0.08 -1.67 -0.10 0.00 0.01 0.00 0.00 42.46 40.77 1xsj s ILE 386 CO 0.16 0.53 1.90 -1.22 0.00 0.00 0.00 174.94 176.32 1xsj n TYR 387 N 3.55 2.51 -2.78 3.97 4.02 -0.93 -0.38 117.16 127.11 1xsj n TYR 387 Ca -0.20 -0.22 -0.43 0.00 -0.01 0.00 0.00 57.90 57.04 1xsj n TYR 387 Cb 0.53 -2.75 -0.03 0.00 -0.02 0.00 0.00 39.34 37.07 1xsj n TYR 387 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1xsj s ASP 388 N 3.72 6.50 0.00 7.72 -1.08 -0.69 -4.77 116.67 128.07 1xsj s ASP 388 Ca 0.87 -1.63 0.13 0.00 -0.52 0.00 0.00 52.55 51.39 1xsj s ASP 388 Cb -0.50 -2.46 0.75 0.00 -1.46 0.00 0.00 42.92 39.24 1xsj s ASP 388 CO 0.42 -1.29 1.24 0.49 0.52 0.00 0.00 175.17 176.55 1xsj n PHE 389 N 7.58 0.00 1.36 -5.34 0.99 -1.26 -1.65 117.46 119.13 1xsj n PHE 389 Ca 0.22 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.79 1xsj n PHE 389 Cb 0.49 0.00 0.45 0.00 -1.00 0.00 0.00 39.48 39.42 1xsj n PHE 389 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1xsj n THR 390 N -0.80 0.09 -3.55 4.37 -2.24 -1.26 -4.75 114.28 106.14 1xsj n THR 390 Ca 0.09 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 1xsj n THR 390 Cb 0.04 0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 1xsj n THR 390 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xsj s ASN 391 N -1.83 5.84 0.28 3.42 3.84 -0.66 -4.13 114.94 121.71 1xsj s ASN 391 Ca 0.36 -1.05 -0.00 0.00 0.21 0.00 0.00 52.86 52.37 1xsj s ASN 391 Cb 0.20 -2.06 0.49 0.00 -0.55 0.00 0.00 41.25 39.32 1xsj s ASN 391 CO 0.31 -0.44 1.86 -0.65 -2.79 0.00 0.00 177.10 175.39 1xsj h PRO 392 N 8.50 1.05 -0.24 0.43 0.11 -1.86 -1.07 132.00 138.93 1xsj h PRO 392 Ca -0.26 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.70 1xsj h PRO 392 Cb 1.11 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1xsj h PRO 392 CO 0.71 0.70 -0.24 -0.44 -0.21 0.00 0.00 178.00 178.51 1xsj h ASP 393 N 1.08 0.44 -0.29 -2.05 3.32 -1.94 -1.58 116.42 115.41 1xsj h ASP 393 Ca 0.46 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.38 1xsj h ASP 393 Cb 0.33 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1xsj h ASP 393 CO -0.22 0.68 0.18 0.00 -1.72 0.00 0.00 179.24 178.17 1xsj h ALA 394 N 1.36 0.36 -0.65 3.45 0.00 -1.57 -1.17 119.26 121.03 1xsj h ALA 394 Ca 0.06 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1xsj h ALA 394 Cb 0.63 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1xsj h ALA 394 CO 0.05 -0.18 0.37 0.00 0.00 0.00 0.00 179.25 179.49 1xsj h LYS 396 N 0.70 -0.02 -0.75 0.00 3.64 -1.08 0.71 116.57 119.76 1xsj h LYS 396 Ca 0.29 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.78 1xsj h LYS 396 Cb 0.15 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.89 1xsj h LYS 396 CO -0.16 0.14 0.36 2.35 -2.27 0.00 0.00 179.45 179.87 1xsj h TRP 397 N -0.18 0.64 -0.26 1.91 7.01 -0.99 0.24 115.95 124.32 1xsj h TRP 397 Ca -0.00 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.90 1xsj h TRP 397 Cb 0.17 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 1xsj h TRP 397 CO -0.02 0.19 -0.34 -0.92 -2.79 0.00 0.00 178.44 174.56 1xsj h TYR 398 N 0.58 0.85 -0.84 2.65 3.20 -1.02 -2.60 116.97 119.79 1xsj h TYR 398 Ca 0.38 -0.27 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1xsj h TYR 398 Cb 0.47 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1xsj h TYR 398 CO -0.11 1.03 0.46 0.00 -1.64 0.00 0.00 178.16 177.90 1xsj h ALA 399 N 0.67 1.24 -0.62 1.82 0.00 -0.46 -2.31 119.26 119.59 1xsj h ALA 399 Ca 0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1xsj h ALA 399 Cb 0.92 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1xsj h ALA 399 CO 0.08 0.62 0.10 -0.44 0.00 0.00 0.00 179.25 179.61 1xsj h ASP 400 N 1.17 0.97 -0.69 0.00 3.32 -0.44 -1.59 116.42 119.16 1xsj h ASP 400 Ca 0.30 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xsj h ASP 400 Cb 0.02 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 1xsj h ASP 400 CO -0.05 0.97 0.45 0.11 -1.72 0.00 0.00 179.24 179.00 1xsj h LYS 401 N 0.96 0.92 -0.58 3.56 1.79 -1.07 -0.72 116.57 121.44 1xsj h LYS 401 Ca 0.19 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1xsj h LYS 401 Cb 0.42 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 1xsj h LYS 401 CO 0.01 0.62 0.36 -0.07 -1.08 0.00 0.00 179.45 179.29 1xsj h LEU 402 N 0.94 0.68 -0.64 2.94 3.38 -1.12 -2.29 115.31 119.20 1xsj h LEU 402 Ca 0.25 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1xsj h LEU 402 Cb -0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1xsj h LEU 402 CO -0.05 0.53 0.24 0.11 0.09 0.00 0.00 178.44 179.36 1xsj h LYS 403 N 0.78 0.97 -1.00 1.13 1.57 -1.09 -1.02 116.57 117.91 1xsj h LYS 403 Ca 0.21 -0.19 0.19 0.00 -1.87 0.00 0.00 60.65 59.00 1xsj h LYS 403 Cb -0.03 -0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.02 1xsj h LYS 403 CO -0.04 0.83 0.61 0.78 -0.57 0.00 0.00 179.45 181.06 1xsj h GLY 404 N 0.91 1.68 0.68 3.86 0.00 -0.81 -0.02 103.07 109.38 1xsj h GLY 404 Ca 0.21 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1xsj h GLY 404 CO -0.01 -0.06 -0.30 1.41 0.00 0.00 0.00 176.54 177.58 1xsj h LEU 405 N 0.72 0.39 -0.57 3.11 3.38 -0.67 -3.05 115.31 118.62 1xsj h LEU 405 Ca 0.57 -0.63 0.09 0.00 0.09 0.00 0.00 57.88 58.00 1xsj h LEU 405 Cb 0.95 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 1xsj h LEU 405 CO -0.36 0.96 0.20 0.58 0.09 0.00 0.00 178.44 179.91 1xsj h VAL 406 N -0.15 0.77 0.00 1.22 2.07 -0.96 -2.25 116.25 116.95 1xsj h VAL 406 Ca -0.02 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1xsj h VAL 406 Cb 0.94 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1xsj h VAL 406 CO 0.06 0.07 -0.01 0.00 0.02 0.00 0.00 177.57 177.71 1xsj h ALA 407 N 1.40 1.68 -0.06 1.67 0.00 -1.00 0.36 119.26 123.31 1xsj h ALA 407 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xsj h ALA 407 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xsj h ALA 407 CO -0.30 0.01 0.00 0.00 0.00 0.00 0.00 179.25 178.96 1xsj n MET 408 N -4.08 1.63 0.00 0.00 0.00 -0.90 -4.93 117.12 108.84 1xsj n MET 408 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 57.70 56.74 1xsj n MET 408 Cb 0.09 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 31.86 1xsj n MET 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xsj n GLY 409 N 1.14 0.80 3.75 3.17 0.00 0.12 -4.64 105.19 109.54 1xsj n GLY 409 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1xsj n GLY 409 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsj s VAL 410 N -2.00 2.79 -0.14 1.61 1.01 -0.90 -4.68 120.40 118.09 1xsj s VAL 410 Ca 0.00 0.69 0.19 0.00 0.00 0.00 0.00 61.98 62.86 1xsj s VAL 410 Cb 0.00 -3.44 -0.27 0.00 0.00 0.00 0.00 36.38 32.67 1xsj s VAL 410 CO 0.00 0.12 0.25 0.47 0.00 0.00 0.00 175.10 175.95 1xsj n ASP 411 N 2.00 0.08 -3.87 3.32 8.00 0.31 -4.19 116.55 122.20 1xsj n ASP 411 Ca 0.05 0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.50 1xsj n ASP 411 Cb 0.41 1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 42.68 1xsj n ASP 411 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xsj s PHE 413 N -3.94 1.40 -0.48 0.00 0.40 -1.25 -3.05 117.98 111.06 1xsj s PHE 413 Ca 0.14 -0.35 -0.27 0.00 -0.60 0.00 0.00 56.93 55.85 1xsj s PHE 413 Cb -0.03 -0.94 0.03 0.00 0.51 0.00 0.00 43.02 42.58 1xsj s PHE 413 CO 0.06 -0.10 1.03 0.21 0.70 0.00 0.00 175.22 177.11 1xsj s LYS 414 N -0.04 3.60 -0.97 0.44 2.20 -0.79 -2.29 119.74 121.89 1xsj s LYS 414 Ca -0.01 0.32 -0.15 0.00 -0.36 0.00 0.00 55.97 55.77 1xsj s LYS 414 Cb -0.09 -3.93 0.18 0.00 -1.51 0.00 0.00 37.83 32.48 1xsj s LYS 414 CO 0.01 -1.32 1.08 0.95 -0.36 0.00 0.00 175.35 175.71 1xsj s THR 415 N 4.11 5.18 0.58 3.43 -4.23 0.77 -1.64 115.64 123.83 1xsj s THR 415 Ca 0.42 -2.24 -0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1xsj s THR 415 Cb -0.09 -4.70 -0.03 0.00 1.34 0.00 0.00 72.50 69.03 1xsj s THR 415 CO 0.29 -1.36 0.95 -0.62 -0.54 0.00 0.00 174.62 173.34 1xsj s ASP 416 N 2.80 6.13 0.93 3.99 -1.08 -0.88 -2.12 116.67 126.45 1xsj s ASP 416 Ca 0.30 1.19 0.00 0.00 -0.52 0.00 0.00 52.55 53.52 1xsj s ASP 416 Cb -0.06 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1xsj s ASP 416 CO -0.07 -0.83 0.00 0.49 0.52 0.00 0.00 175.17 175.28 1xsj n PHE 417 N -2.60 -0.42 -0.06 -5.34 3.01 -1.26 -4.34 117.46 106.46 1xsj n PHE 417 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1xsj n PHE 417 Cb 0.55 0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.15 1xsj n PHE 417 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xsj n GLY 418 N 0.00 0.59 0.13 1.37 0.00 -1.26 -3.98 105.19 102.05 1xsj n GLY 418 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1xsj n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xsj n GLU 419 N -2.01 0.69 -1.94 1.61 0.00 -1.26 -4.21 120.64 113.52 1xsj n GLU 419 Ca 0.00 0.30 -0.42 0.00 0.00 0.00 0.00 57.16 57.04 1xsj n GLU 419 Cb 0.00 -1.67 -0.00 0.00 0.00 0.00 0.00 31.44 29.77 1xsj n GLU 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xsj n ARG 420 N -3.67 3.32 -3.22 3.44 1.74 -1.26 -4.56 116.66 112.45 1xsj n ARG 420 Ca -0.36 -2.97 -0.41 0.00 -0.77 0.00 0.00 57.85 53.34 1xsj n ARG 420 Cb 0.96 -3.07 -0.07 0.00 -1.02 0.00 0.00 32.46 29.25 1xsj n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xsj s ILE 421 N 1.77 5.03 0.67 0.55 -1.09 -1.26 -5.06 121.20 121.81 1xsj s ILE 421 Ca 0.46 0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 59.45 1xsj s ILE 421 Cb 0.13 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1xsj s ILE 421 CO -0.05 -0.05 1.09 -2.16 -1.23 0.00 0.00 174.94 172.54 1xsj s PRO 422 N 2.39 2.82 0.00 2.79 0.04 -1.26 -4.80 135.00 136.98 1xsj s PRO 422 Ca 0.21 1.27 0.14 0.00 0.04 0.00 0.00 61.00 62.66 1xsj s PRO 422 Cb -0.15 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.30 1xsj s PRO 422 CO 0.11 -1.22 0.63 0.25 0.04 0.00 0.00 177.00 176.81 1xsj n THR 423 N -2.59 0.00 -1.88 1.26 -2.24 -1.26 -4.70 114.28 102.86 1xsj n THR 423 Ca 0.10 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 1xsj n THR 423 Cb 0.52 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.77 1xsj n THR 423 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xsj n ASP 424 N -1.14 7.44 -4.07 3.42 3.85 -1.26 -4.82 116.55 119.97 1xsj n ASP 424 Ca 0.03 -2.99 -0.10 0.00 -0.71 0.00 0.00 54.79 51.02 1xsj n ASP 424 Cb 0.23 -1.44 -0.08 0.00 -1.35 0.00 0.00 41.12 38.48 1xsj n ASP 424 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1xsj s VAL 425 N 0.12 0.04 -0.19 2.12 -7.23 -1.26 -4.54 120.40 109.45 1xsj s VAL 425 Ca 0.55 -1.67 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1xsj s VAL 425 Cb 0.17 -2.15 0.05 0.00 0.56 0.00 0.00 36.38 35.00 1xsj s VAL 425 CO -0.07 -0.17 -0.04 -1.58 -0.31 0.00 0.00 175.10 172.93 1xsj s GLN 426 N -4.05 1.41 0.45 4.82 0.74 0.18 -4.70 119.66 118.51 1xsj s GLN 426 Ca 0.26 -0.67 -0.23 0.00 0.05 0.00 0.00 55.36 54.77 1xsj s GLN 426 Cb 0.04 -2.23 -0.08 0.00 1.10 0.00 0.00 33.01 31.84 1xsj s GLN 426 CO 0.06 -0.52 1.11 -1.58 -0.55 0.00 0.00 175.29 173.81 1xsj s TRP 427 N 1.58 3.01 0.27 1.67 0.52 -1.26 -4.09 118.94 120.63 1xsj s TRP 427 Ca -0.02 1.58 -0.03 0.00 0.02 0.00 0.00 56.10 57.65 1xsj s TRP 427 Cb -0.17 -3.25 0.57 0.00 -1.15 0.00 0.00 33.47 29.47 1xsj s TRP 427 CO -0.07 -1.14 1.63 0.35 0.02 0.00 0.00 176.95 177.74 1xsj h PHE 428 N 2.10 0.09 -0.24 -1.98 3.57 -1.94 0.49 116.94 119.03 1xsj h PHE 428 Ca -0.49 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1xsj h PHE 428 Cb 1.23 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1xsj h PHE 428 CO 0.55 -0.25 0.00 -0.40 -2.23 0.00 0.00 178.31 175.98 1xsj n ASP 429 N -5.32 1.47 -0.43 0.41 5.68 -1.26 -4.91 116.55 112.20 1xsj n ASP 429 Ca 0.17 -1.90 -0.06 0.00 -0.50 0.00 0.00 54.79 52.51 1xsj n ASP 429 Cb 0.58 -0.16 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 1xsj n ASP 429 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsj n GLY 430 N 0.98 0.75 3.55 6.12 0.00 0.16 -5.00 105.19 111.76 1xsj n GLY 430 Ca 0.11 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1xsj n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsj n SER 431 N -0.06 -0.42 -4.63 1.61 7.64 -1.26 -4.89 113.62 111.61 1xsj n SER 431 Ca -0.06 0.56 -0.43 0.00 1.01 0.00 0.00 58.87 59.95 1xsj n SER 431 Cb 0.30 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.14 1xsj n SER 431 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xsj s ASP 432 N -1.79 6.12 0.57 6.43 -1.08 0.60 -4.67 116.67 122.86 1xsj s ASP 432 Ca 0.68 1.89 0.27 0.00 -0.52 0.00 0.00 52.55 54.86 1xsj s ASP 432 Cb -0.31 -2.53 1.55 0.00 -1.46 0.00 0.00 42.92 40.18 1xsj s ASP 432 CO 0.56 -1.43 2.08 -0.65 0.52 0.00 0.00 175.17 176.26 1xsj h PRO 433 N 11.95 0.00 -0.05 4.34 0.11 -1.88 -0.93 132.00 145.55 1xsj h PRO 433 Ca -0.39 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.57 1xsj h PRO 433 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1xsj h PRO 433 CO 0.98 0.00 -0.64 1.96 -0.21 0.00 0.00 178.00 180.09 1xsj h GLN 434 N 0.00 0.18 0.08 1.05 1.08 -1.89 -2.83 115.11 112.78 1xsj h GLN 434 Ca 0.11 -0.13 -0.30 0.00 -1.45 0.00 0.00 58.65 56.89 1xsj h GLN 434 Cb 0.56 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 1xsj h GLN 434 CO -0.00 0.76 -1.53 0.87 -0.95 0.00 0.00 178.83 177.98 1xsj h LYS 435 N 0.13 0.18 0.00 1.46 1.57 -1.65 -3.31 116.57 114.94 1xsj h LYS 435 Ca -0.01 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1xsj h LYS 435 Cb 1.15 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1xsj h LYS 435 CO 0.09 1.00 -0.03 0.52 -0.57 0.00 0.00 179.45 180.46 1xsj h MET 436 N 0.05 0.00 0.21 3.15 2.86 -1.17 -3.02 114.93 117.01 1xsj h MET 436 Ca -0.23 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1xsj h MET 436 Cb 1.99 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.61 1xsj h MET 436 CO 0.14 0.03 -0.35 1.25 1.06 0.00 0.00 176.91 179.04 1xsj h HIS 437 N 0.00 -0.95 0.03 -0.22 -0.00 -1.58 -0.26 115.15 112.16 1xsj h HIS 437 Ca -0.00 0.02 -0.23 0.00 -0.00 0.00 0.00 60.37 60.16 1xsj h HIS 437 Cb 0.12 0.39 0.02 0.00 -0.00 0.00 0.00 27.41 27.94 1xsj h HIS 437 CO 0.00 -0.47 -0.91 -0.91 -0.00 0.00 0.00 177.93 175.64 1xsj h ASN 438 N -0.64 0.75 0.50 3.26 2.35 -1.76 -3.36 115.58 116.68 1xsj h ASN 438 Ca 0.01 -0.77 -0.04 0.00 -0.55 0.00 0.00 56.30 54.94 1xsj h ASN 438 Cb 0.63 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1xsj h ASN 438 CO -0.15 1.43 -0.21 -0.74 -1.65 0.00 0.00 177.43 176.12 1xsj h HIS 439 N 0.15 0.00 -0.89 1.19 2.76 -1.42 -2.10 115.15 114.85 1xsj h HIS 439 Ca -0.12 0.00 0.24 0.00 -2.20 0.00 0.00 60.37 58.29 1xsj h HIS 439 Cb 1.60 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 30.41 1xsj h HIS 439 CO 0.13 0.21 0.19 -0.92 -1.30 0.00 0.00 177.93 176.24 1xsj h TYR 440 N 0.00 0.27 -0.84 5.26 3.20 -1.18 0.97 116.97 124.64 1xsj h TYR 440 Ca -0.00 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.04 1xsj h TYR 440 Cb 0.52 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.73 1xsj h TYR 440 CO 0.00 -0.25 0.46 0.00 -1.64 0.00 0.00 178.16 176.73 1xsj h ALA 441 N 1.81 1.24 -0.16 1.82 0.00 -1.54 -0.85 119.26 121.58 1xsj h ALA 441 Ca 0.55 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 1xsj h ALA 441 Cb 1.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1xsj h ALA 441 CO -0.70 0.01 0.03 -0.92 0.00 0.00 0.00 179.25 177.67 1xsj h TYR 442 N 0.72 0.28 -0.64 0.00 3.20 -1.00 -2.20 116.97 117.34 1xsj h TYR 442 Ca 0.43 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1xsj h TYR 442 Cb 0.51 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1xsj h TYR 442 CO -0.07 0.43 0.36 0.82 -1.64 0.00 0.00 178.16 178.06 1xsj h ILE 443 N 0.05 1.20 -0.08 1.81 1.08 -0.65 0.30 117.51 121.22 1xsj h ILE 443 Ca 0.05 -0.49 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 1xsj h ILE 443 Cb 0.30 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1xsj h ILE 443 CO 0.00 0.21 -0.02 0.22 -0.69 0.00 0.00 178.15 177.88 1xsj h TYR 444 N 0.87 0.18 -0.40 1.37 -0.00 -1.22 -1.92 116.97 115.87 1xsj h TYR 444 Ca 0.23 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.73 58.81 1xsj h TYR 444 Cb 0.02 -0.04 -0.01 0.00 -0.00 0.00 0.00 36.73 36.70 1xsj h TYR 444 CO -0.01 0.48 -0.21 -0.91 -0.00 0.00 0.00 178.16 177.51 1xsj h ASN 445 N -0.17 0.78 -0.13 -2.11 2.35 -1.20 -2.64 115.58 112.46 1xsj h ASN 445 Ca 0.02 -0.28 0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1xsj h ASN 445 Cb 0.43 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1xsj h ASN 445 CO 0.01 0.97 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.67 1xsj h GLU 446 N 0.68 0.02 -0.34 0.81 4.81 -0.94 -0.44 114.58 119.18 1xsj h GLU 446 Ca 0.10 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1xsj h GLU 446 Cb 0.71 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.03 1xsj h GLU 446 CO 0.05 0.01 -0.05 1.25 -0.73 0.00 0.00 179.01 179.55 1xsj h LEU 447 N 0.02 -0.25 -0.36 1.64 6.46 -1.19 -0.78 115.31 120.86 1xsj h LEU 447 Ca 0.06 0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1xsj h LEU 447 Cb 0.08 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1xsj h LEU 447 CO -0.12 -0.08 0.04 0.58 -0.62 0.00 0.00 178.44 178.23 1xsj h VAL 448 N 0.04 1.25 -0.57 1.05 2.07 -1.38 -2.66 116.25 116.03 1xsj h VAL 448 Ca 0.16 -0.90 0.12 0.00 0.82 0.00 0.00 66.70 66.90 1xsj h VAL 448 Cb 0.24 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.04 1xsj h VAL 448 CO -0.32 0.30 0.00 -0.25 0.02 0.00 0.00 177.57 177.32 1xsj h TRP 449 N 0.45 -0.03 0.00 1.57 2.91 -0.75 -1.66 115.95 118.44 1xsj h TRP 449 Ca 0.11 0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.13 1xsj h TRP 449 Cb 0.40 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 1xsj h TRP 449 CO 0.03 -0.14 -0.21 -0.91 -1.03 0.00 0.00 178.44 176.18 1xsj h ASN 450 N 0.12 0.00 -0.26 2.65 2.35 -0.99 -0.05 115.58 119.41 1xsj h ASN 450 Ca 0.30 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.90 1xsj h ASN 450 Cb 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 1xsj h ASN 450 CO -0.49 0.21 -0.42 0.58 -1.65 0.00 0.00 177.43 175.67 1xsj h VAL 451 N 0.00 1.30 -0.28 2.81 2.07 -0.97 -0.29 116.25 120.89 1xsj h VAL 451 Ca -0.00 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 1xsj h VAL 451 Cb 0.45 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1xsj h VAL 451 CO 0.03 0.51 0.04 -0.07 0.02 0.00 0.00 177.57 178.10 1xsj h LEU 452 N 0.47 0.46 -0.37 2.57 4.07 -0.95 -1.68 115.31 119.87 1xsj h LEU 452 Ca 0.02 -0.27 0.08 0.00 0.08 0.00 0.00 57.88 57.79 1xsj h LEU 452 Cb 1.01 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.56 1xsj h LEU 452 CO 0.10 0.61 -0.10 0.50 -1.08 0.00 0.00 178.44 178.47 1xsj h LYS 453 N 0.29 -0.01 0.00 1.13 3.64 -0.95 0.29 116.57 120.96 1xsj h LYS 453 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1xsj h LYS 453 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1xsj h LYS 453 CO 0.01 -0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 1xsj n ASP 454 N -5.30 0.75 -0.04 4.20 8.00 -0.13 -2.56 116.55 121.47 1xsj n ASP 454 Ca 0.02 0.64 -0.07 0.00 0.71 0.00 0.00 54.79 56.09 1xsj n ASP 454 Cb 0.21 -0.82 -0.04 0.00 -0.02 0.00 0.00 41.12 40.45 1xsj n ASP 454 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xsj n THR 455 N -2.29 0.50 0.64 -3.53 -2.24 -0.65 -4.80 114.28 101.91 1xsj n THR 455 Ca 0.03 -0.17 0.06 0.00 -2.27 0.00 0.00 64.05 61.71 1xsj n THR 455 Cb 0.30 -1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 67.41 1xsj n THR 455 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1xsj n VAL 456 N -2.95 0.00 0.00 2.28 0.24 0.94 -5.08 118.33 113.76 1xsj n VAL 456 Ca -0.16 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1xsj n VAL 456 Cb 0.65 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 1xsj n VAL 456 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xsj n GLY 457 N 1.30 1.29 0.32 7.63 0.00 -1.04 -4.50 105.19 110.19 1xsj n GLY 457 Ca 0.03 -1.56 0.05 0.00 0.00 0.00 0.00 46.02 44.54 1xsj n GLY 457 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsj h GLU 458 N 0.00 0.01 0.00 1.61 4.81 -1.80 -1.38 114.58 117.82 1xsj h GLU 458 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xsj h GLU 458 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xsj h GLU 458 CO 0.00 0.01 0.00 0.39 -0.73 0.00 0.00 179.01 178.68 1xsj n GLU 459 N -5.54 0.09 0.00 1.92 4.71 -1.26 -1.76 120.64 118.80 1xsj n GLU 459 Ca 0.14 0.32 0.10 0.00 -0.01 0.00 0.00 57.16 57.71 1xsj n GLU 459 Cb 0.47 -1.67 -0.05 0.00 -1.01 0.00 0.00 31.44 29.18 1xsj n GLU 459 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xsj n GLU 460 N -1.84 1.06 -2.38 3.49 -0.58 -0.54 -3.67 120.64 116.19 1xsj n GLU 460 Ca 0.03 -0.53 -0.42 0.00 -0.42 0.00 0.00 57.16 55.82 1xsj n GLU 460 Cb 0.20 -1.41 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1xsj n GLU 460 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsj s ALA 461 N -2.51 3.44 0.04 0.62 0.00 -0.72 -4.82 121.76 117.81 1xsj s ALA 461 Ca 0.13 0.87 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 1xsj s ALA 461 Cb 0.16 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.84 1xsj s ALA 461 CO 0.63 -0.52 0.41 0.54 0.00 0.00 0.00 175.76 176.83 1xsj s VAL 462 N 1.25 0.05 0.28 0.00 0.11 -1.26 -4.54 120.40 116.29 1xsj s VAL 462 Ca 0.60 -0.45 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1xsj s VAL 462 Cb -0.30 -0.94 -0.06 0.00 -1.53 0.00 0.00 36.38 33.56 1xsj s VAL 462 CO 0.28 -0.25 0.04 -0.76 -3.33 0.00 0.00 175.10 171.08 1xsj s LEU 463 N -1.95 2.13 -0.35 2.54 1.43 -0.74 -3.87 118.68 117.86 1xsj s LEU 463 Ca -0.06 -1.31 0.02 0.00 -1.03 0.00 0.00 54.13 51.75 1xsj s LEU 463 Cb -0.01 -0.31 0.11 0.00 0.03 0.00 0.00 46.19 46.01 1xsj s LEU 463 CO -0.02 -0.57 0.10 0.12 0.23 0.00 0.00 176.35 176.21 1xsj s PHE 464 N -3.38 2.72 -0.09 0.29 5.36 -0.97 -4.06 117.98 117.85 1xsj s PHE 464 Ca 0.34 -2.46 0.01 0.00 -0.96 0.00 0.00 56.93 53.86 1xsj s PHE 464 Cb 0.07 -2.33 -0.02 0.00 -0.34 0.00 0.00 43.02 40.40 1xsj s PHE 464 CO 0.13 -0.89 -0.12 0.00 -1.46 0.00 0.00 175.22 172.88 1xsj s ALA 465 N 1.03 2.72 -0.09 11.12 0.00 -0.58 -0.17 121.76 135.80 1xsj s ALA 465 Ca 0.12 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1xsj s ALA 465 Cb -0.19 -1.14 -0.24 0.00 0.00 0.00 0.00 23.12 21.55 1xsj s ALA 465 CO -0.13 0.42 0.50 -2.13 0.00 0.00 0.00 175.76 174.42 1xsj n ARG 466 N 2.82 0.68 -4.44 0.00 0.63 -0.90 -2.25 116.66 113.20 1xsj n ARG 466 Ca -0.18 0.26 -0.25 0.00 -0.92 0.00 0.00 57.85 56.77 1xsj n ARG 466 Cb 0.52 -1.74 -0.09 0.00 0.45 0.00 0.00 32.46 31.60 1xsj n ARG 466 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1xsj s SER 467 N -6.37 3.90 0.22 6.15 1.04 -1.26 -4.51 113.70 112.87 1xsj s SER 467 Ca -0.12 -1.04 -0.22 0.00 0.48 0.00 0.00 55.95 55.06 1xsj s SER 467 Cb 0.07 -0.44 0.04 0.00 0.10 0.00 0.00 66.02 65.80 1xsj s SER 467 CO 0.80 -0.13 0.65 0.00 0.98 0.00 0.00 173.24 175.54 1xsj s ALA 468 N -2.53 -1.38 0.28 5.32 0.00 -1.23 -4.91 121.76 117.32 1xsj s ALA 468 Ca 0.32 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 1xsj s ALA 468 Cb -0.01 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.99 1xsj s ALA 468 CO 0.17 -0.90 0.61 0.45 0.00 0.00 0.00 175.76 176.09 1xsj s SER 469 N -2.84 -0.11 -0.02 0.00 0.15 -1.26 -3.56 113.70 106.05 1xsj s SER 469 Ca 0.06 -0.83 -0.36 0.00 0.70 0.00 0.00 55.95 55.52 1xsj s SER 469 Cb -0.03 0.67 -0.14 0.00 -1.71 0.00 0.00 66.02 64.81 1xsj s SER 469 CO -0.03 -1.28 1.66 0.52 1.20 0.00 0.00 173.24 175.30 1xsj n VAL 470 N -0.44 0.24 0.00 4.45 0.31 -1.26 -1.15 118.33 120.48 1xsj n VAL 470 Ca -0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1xsj n VAL 470 Cb 0.60 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1xsj n VAL 470 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsj n GLY 471 N 3.69 2.20 0.10 2.92 0.00 -1.26 -4.59 105.19 108.25 1xsj n GLY 471 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1xsj n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsj n ALA 472 N -1.95 1.43 0.33 4.61 0.00 -0.30 -1.98 120.51 122.65 1xsj n ALA 472 Ca 0.00 0.08 0.22 0.00 0.00 0.00 0.00 53.44 53.74 1xsj n ALA 472 Cb 0.00 -1.30 1.18 0.00 0.00 0.00 0.00 19.45 19.34 1xsj n ALA 472 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1xsj h GLN 473 N 0.00 0.00 0.00 0.00 -0.00 -1.88 -1.79 115.11 111.45 1xsj h GLN 473 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xsj h GLN 473 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.69 1xsj h GLN 473 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.83 180.46 1xsj n LYS 474 N -3.17 0.17 -3.17 0.06 5.02 -0.84 -3.80 118.16 112.44 1xsj n LYS 474 Ca -0.03 0.54 -0.27 0.00 -2.02 0.00 0.00 58.31 56.54 1xsj n LYS 474 Cb 0.08 -1.94 -0.06 0.00 -0.02 0.00 0.00 35.03 33.09 1xsj n LYS 474 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xsj n PHE 475 N -2.29 3.74 -0.65 2.13 3.72 -0.67 -3.73 117.46 119.71 1xsj n PHE 475 Ca 0.00 -4.06 -0.29 0.00 -0.05 0.00 0.00 57.45 53.05 1xsj n PHE 475 Cb 0.13 -0.52 0.25 0.00 -0.94 0.00 0.00 39.48 38.40 1xsj n PHE 475 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xsj s PRO 476 N -2.97 -1.13 -0.00 -1.08 0.04 -1.25 -4.69 135.00 123.91 1xsj s PRO 476 Ca 0.44 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.07 1xsj s PRO 476 Cb 0.22 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 33.21 1xsj s PRO 476 CO -0.08 -3.80 0.01 0.28 0.04 0.00 0.00 177.00 173.45 1xsj n VAL 477 N -4.94 -6.33 -4.36 -0.36 0.31 -1.26 -1.79 118.33 99.60 1xsj n VAL 477 Ca 0.05 1.16 -0.29 0.00 -0.01 0.00 0.00 64.34 65.25 1xsj n VAL 477 Cb 0.56 -4.23 -0.12 0.00 -0.91 0.00 0.00 33.84 29.15 1xsj n VAL 477 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1xsj s HIS 478 N -0.23 2.48 0.12 3.52 3.76 -1.19 -1.53 115.29 122.23 1xsj s HIS 478 Ca -0.01 -0.29 0.07 0.00 -0.15 0.00 0.00 55.06 54.67 1xsj s HIS 478 Cb 0.00 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 1xsj s HIS 478 CO 0.04 0.36 -0.16 1.67 -0.85 0.00 0.00 174.74 175.80 1xsj s TRP 479 N -1.10 1.52 -1.62 1.40 -2.14 -0.95 -0.89 118.94 115.15 1xsj s TRP 479 Ca 0.17 -0.50 0.00 0.00 2.66 0.00 0.00 56.10 58.42 1xsj s TRP 479 Cb -0.10 -0.80 0.00 0.00 -3.10 0.00 0.00 33.47 29.46 1xsj s TRP 479 CO 0.09 0.18 0.71 0.41 -2.66 0.00 0.00 176.95 175.68 1xsj n GLY 480 N 0.68 -0.05 7.00 3.67 0.00 -0.63 -4.67 105.19 111.19 1xsj n GLY 480 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xsj n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsj n GLY 481 N 0.26 0.63 3.39 -0.02 0.00 -1.26 -4.68 105.19 103.52 1xsj n GLY 481 Ca 0.00 -0.81 -0.44 0.00 0.00 0.00 0.00 46.02 44.77 1xsj n GLY 481 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xsj n ASP 482 N -0.19 5.21 -4.74 1.61 8.00 -1.26 -4.64 116.55 120.54 1xsj n ASP 482 Ca 0.00 -2.99 -0.25 0.00 0.71 0.00 0.00 54.79 52.25 1xsj n ASP 482 Cb 0.00 -1.56 0.09 0.00 -0.02 0.00 0.00 41.12 39.64 1xsj n ASP 482 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xsj s TYR 484 N -3.28 2.91 -1.38 0.00 2.02 -1.26 -0.58 117.35 115.79 1xsj s TYR 484 Ca 0.64 -0.12 -0.08 0.00 -0.37 0.00 0.00 57.07 57.14 1xsj s TYR 484 Cb -0.08 -1.39 0.09 0.00 -0.40 0.00 0.00 41.96 40.18 1xsj s TYR 484 CO 0.45 0.53 2.35 0.00 -1.57 0.00 0.00 175.55 177.32 1xsj n ALA 485 N -0.35 6.51 -2.91 3.71 0.00 -0.56 -4.38 120.51 122.53 1xsj n ALA 485 Ca -0.09 -4.03 -0.10 0.00 0.00 0.00 0.00 53.44 49.22 1xsj n ALA 485 Cb 0.56 -2.98 -0.07 0.00 0.00 0.00 0.00 19.45 16.96 1xsj n ALA 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsj s ASN 486 N 1.00 -0.02 0.25 0.00 2.20 -1.26 -4.40 114.94 112.70 1xsj s ASN 486 Ca 0.53 -1.06 -0.05 0.00 -0.94 0.00 0.00 52.86 51.34 1xsj s ASN 486 Cb 0.16 0.53 0.28 0.00 -2.00 0.00 0.00 41.25 40.22 1xsj s ASN 486 CO -0.06 -1.06 1.83 1.88 -2.94 0.00 0.00 177.10 176.75 1xsj h TYR 487 N 2.35 1.09 -0.79 1.54 0.05 -1.91 -1.43 116.97 117.87 1xsj h TYR 487 Ca -0.29 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.39 1xsj h TYR 487 Cb 1.25 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 38.62 1xsj h TYR 487 CO 0.38 0.81 0.34 0.93 -1.05 0.00 0.00 178.16 179.58 1xsj h GLU 488 N 1.06 1.16 -0.00 4.88 3.07 -1.93 0.57 114.58 123.39 1xsj h GLU 488 Ca 0.25 -0.19 -0.17 0.00 -0.50 0.00 0.00 59.36 58.74 1xsj h GLU 488 Cb 0.17 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1xsj h GLU 488 CO -0.02 0.93 -0.80 1.03 -1.40 0.00 0.00 179.01 178.74 1xsj h SER 489 N 1.14 0.08 -0.33 1.42 0.87 -1.73 -0.98 113.55 114.03 1xsj h SER 489 Ca 0.27 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1xsj h SER 489 Cb 0.18 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1xsj h SER 489 CO -0.03 0.85 0.20 -0.03 -0.53 0.00 0.00 176.83 177.29 1xsj h MET 490 N 0.04 0.41 -0.21 2.24 -1.53 -0.80 0.33 114.93 115.41 1xsj h MET 490 Ca -0.02 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.21 1xsj h MET 490 Cb 1.41 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 32.35 1xsj h MET 490 CO 0.11 0.27 0.09 0.00 0.14 0.00 0.00 176.91 177.51 1xsj h ALA 491 N 1.13 0.27 -0.88 0.39 0.00 -0.78 -2.17 119.26 117.22 1xsj h ALA 491 Ca 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xsj h ALA 491 Cb -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1xsj h ALA 491 CO -0.04 -0.15 0.57 1.05 0.00 0.00 0.00 179.25 180.68 1xsj h GLU 492 N 0.19 1.10 -0.30 0.00 4.11 -1.07 -1.57 114.58 117.04 1xsj h GLU 492 Ca 0.07 -0.07 0.06 0.00 0.07 0.00 0.00 59.36 59.50 1xsj h GLU 492 Cb 0.16 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 1xsj h GLU 492 CO -0.01 0.73 -0.12 0.77 0.07 0.00 0.00 179.01 180.45 1xsj h SER 493 N 1.13 -0.43 -0.64 3.06 0.02 -0.78 -2.28 113.55 113.64 1xsj h SER 493 Ca 0.34 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.42 1xsj h SER 493 Cb -0.05 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1xsj h SER 493 CO -0.10 -0.16 0.41 0.25 -1.14 0.00 0.00 176.83 176.09 1xsj h LEU 494 N -0.07 0.68 -0.97 5.07 5.85 -0.84 -0.83 115.31 124.20 1xsj h LEU 494 Ca 0.15 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.03 1xsj h LEU 494 Cb 0.30 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.08 1xsj h LEU 494 CO -0.35 0.48 0.58 0.03 -0.34 0.00 0.00 178.44 178.84 1xsj h ARG 495 N 0.81 0.76 -0.32 1.25 3.08 -0.87 0.19 114.38 119.28 1xsj h ARG 495 Ca 0.25 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 1xsj h ARG 495 Cb -0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1xsj h ARG 495 CO -0.08 0.50 0.04 0.78 -1.07 0.00 0.00 179.97 180.14 1xsj h GLY 496 N 0.78 0.58 0.76 0.04 0.00 -0.64 -1.66 103.07 102.94 1xsj h GLY 496 Ca 0.54 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.48 1xsj h GLY 496 CO -0.35 0.37 -0.13 -1.33 0.00 0.00 0.00 176.54 175.09 1xsj h GLY 497 N 0.36 -0.23 0.48 4.60 0.00 -0.67 0.11 103.07 107.74 1xsj h GLY 497 Ca 0.10 0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.64 1xsj h GLY 497 CO 0.01 -0.13 0.06 1.41 0.00 0.00 0.00 176.54 177.89 1xsj h LEU 498 N -0.26 -0.02 -0.58 3.11 3.38 -0.96 -2.66 115.31 117.32 1xsj h LEU 498 Ca 0.02 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1xsj h LEU 498 Cb 0.28 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1xsj h LEU 498 CO -0.08 0.02 0.00 0.28 0.09 0.00 0.00 178.44 178.76 1xsj h SER 499 N 0.19 1.00 -0.50 -0.43 0.02 -0.95 -1.99 113.55 110.88 1xsj h SER 499 Ca 0.19 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1xsj h SER 499 Cb 0.24 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1xsj h SER 499 CO -0.27 1.06 0.22 -0.29 -1.14 0.00 0.00 176.83 176.42 1xsj h ILE 500 N 0.91 1.20 -0.66 3.27 2.10 -0.58 -1.80 117.51 121.96 1xsj h ILE 500 Ca 0.16 -0.62 -0.06 0.00 1.08 0.00 0.00 64.86 65.43 1xsj h ILE 500 Cb 0.55 0.55 -0.03 0.00 -1.09 0.00 0.00 36.82 36.79 1xsj h ILE 500 CO 0.03 0.24 0.16 1.23 -1.08 0.00 0.00 178.15 178.73 1xsj h GLY 501 N 0.91 1.12 1.36 8.18 0.00 -1.12 -1.29 103.07 112.23 1xsj h GLY 501 Ca 0.19 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1xsj h GLY 501 CO -0.02 0.64 0.00 1.04 0.00 0.00 0.00 176.54 178.20 1xsj n LEU 502 N -4.24 0.00 -0.19 3.11 4.77 -0.74 -2.90 117.00 116.80 1xsj n LEU 502 Ca 0.05 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.23 1xsj n LEU 502 Cb 0.25 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1xsj n LEU 502 CO 0.42 -0.09 0.54 -1.20 -1.33 0.00 0.00 177.39 175.73 1xsj n SER 503 N -1.18 2.31 0.00 -1.43 7.64 -0.53 -4.60 113.62 115.83 1xsj n SER 503 Ca 0.09 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1xsj n SER 503 Cb 0.10 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xsj n SER 503 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xsj n GLY 504 N -0.31 0.91 3.50 0.23 0.00 -1.10 -4.90 105.19 103.51 1xsj n GLY 504 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1xsj n GLY 504 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xsj s PHE 505 N -2.00 3.07 -0.37 1.61 0.08 -0.93 -4.66 117.98 114.77 1xsj s PHE 505 Ca 0.00 -0.30 0.23 0.00 0.12 0.00 0.00 56.93 56.98 1xsj s PHE 505 Cb 0.00 -2.04 0.10 0.00 -0.57 0.00 0.00 43.02 40.52 1xsj s PHE 505 CO 0.00 -0.10 1.13 0.78 -0.10 0.00 0.00 175.22 176.94 1xsj h GLY 506 N 7.07 0.00 -6.36 4.36 0.00 -1.88 -3.32 103.07 102.93 1xsj h GLY 506 Ca -0.34 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.63 1xsj h GLY 506 CO 0.63 0.00 -0.75 -1.36 0.00 0.00 0.00 176.54 175.06 1xsj s PHE 507 N -3.30 0.39 -0.14 5.60 0.08 -1.26 -2.14 117.98 117.20 1xsj s PHE 507 Ca 0.02 -0.04 -0.12 0.00 0.12 0.00 0.00 56.93 56.91 1xsj s PHE 507 Cb 0.11 -0.45 0.04 0.00 -0.57 0.00 0.00 43.02 42.15 1xsj s PHE 507 CO 0.77 -0.14 0.37 -0.46 -0.10 0.00 0.00 175.22 175.66 1xsj s TRP 508 N 0.99 -0.44 0.50 0.36 -0.00 -1.26 -3.14 118.94 115.95 1xsj s TRP 508 Ca -0.10 1.03 0.01 0.00 -0.00 0.00 0.00 56.10 57.05 1xsj s TRP 508 Cb -0.14 0.16 -0.01 0.00 -0.00 0.00 0.00 33.47 33.48 1xsj s TRP 508 CO -0.01 -0.22 0.03 0.45 -0.00 0.00 0.00 176.95 177.20 1xsj s SER 509 N 0.44 3.86 0.09 5.86 0.15 -0.07 -3.23 113.70 120.80 1xsj s SER 509 Ca -0.02 -1.69 -0.25 0.00 0.70 0.00 0.00 55.95 54.69 1xsj s SER 509 Cb -0.04 0.59 0.08 0.00 -1.71 0.00 0.00 66.02 64.94 1xsj s SER 509 CO -0.02 -0.90 0.70 -1.38 1.20 0.00 0.00 173.24 172.84 1xsj s HIS 510 N -2.96 -0.49 -0.50 3.44 -3.43 -1.26 -1.60 115.29 108.49 1xsj s HIS 510 Ca 0.08 0.36 -0.28 0.00 -0.80 0.00 0.00 55.06 54.41 1xsj s HIS 510 Cb 0.01 0.54 0.03 0.00 -1.43 0.00 0.00 32.58 31.73 1xsj s HIS 510 CO 0.05 -0.73 1.13 -0.51 -2.00 0.00 0.00 174.74 172.68 1xsj s ASP 511 N -2.52 6.57 0.13 7.38 -0.00 -1.26 -4.31 116.67 122.66 1xsj s ASP 511 Ca 0.01 0.34 -0.31 0.00 -0.00 0.00 0.00 52.55 52.59 1xsj s ASP 511 Cb -0.01 -2.54 -0.10 0.00 -0.00 0.00 0.00 42.92 40.27 1xsj s ASP 511 CO -0.10 -1.30 1.65 -0.63 -0.00 0.00 0.00 175.17 174.80 1xsj s ILE 512 N 4.53 2.70 0.00 0.77 1.01 0.75 -0.45 121.20 130.52 1xsj s ILE 512 Ca 0.46 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.47 1xsj s ILE 512 Cb -0.07 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1xsj s ILE 512 CO 0.30 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1xsj n GLY 513 N 3.94 0.94 0.00 6.18 0.00 -1.26 -4.03 105.19 110.96 1xsj n GLY 513 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1xsj n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsj n GLY 514 N -2.00 -0.03 0.08 -0.02 0.00 0.41 -4.33 105.19 99.30 1xsj n GLY 514 Ca 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.54 1xsj n GLY 514 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xsj h PHE 515 N 0.00 -0.11 -3.16 1.61 3.04 -1.61 -3.42 116.94 113.28 1xsj h PHE 515 Ca 0.00 -0.00 -0.59 0.00 3.98 0.00 0.00 57.97 61.36 1xsj h PHE 515 Cb 0.00 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.49 1xsj h PHE 515 CO 0.00 -0.07 -0.13 -2.00 -2.02 0.00 0.00 178.31 174.09 1xsj s GLU 516 N -1.86 4.11 0.07 1.11 2.56 0.26 -1.13 118.70 123.82 1xsj s GLU 516 Ca -0.02 0.53 0.00 0.00 0.00 0.00 0.00 54.97 55.48 1xsj s GLU 516 Cb 0.00 -3.28 0.00 0.00 2.00 0.00 0.00 34.13 32.85 1xsj s GLU 516 CO 0.05 0.54 0.00 0.09 -0.56 0.00 0.00 175.26 175.38 1xsj n ASN 517 N 2.26 -0.99 -4.52 -1.70 5.03 -1.26 -1.50 115.26 112.58 1xsj n ASN 517 Ca -0.11 0.15 -0.38 0.00 0.87 0.00 0.00 54.58 55.11 1xsj n ASN 517 Cb 0.52 -0.58 -0.12 0.00 -1.02 0.00 0.00 39.78 38.58 1xsj n ASN 517 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xsj s THR 518 N -2.64 4.90 0.39 3.41 2.01 -1.26 -4.60 115.64 117.85 1xsj s THR 518 Ca 0.00 -0.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.69 1xsj s THR 518 Cb 0.00 -3.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 1xsj s THR 518 CO 0.00 0.24 1.36 0.00 -0.69 0.00 0.00 174.62 175.52 1xsj s ALA 519 N 1.69 3.35 0.72 7.40 0.00 -1.26 -5.00 121.76 128.67 1xsj s ALA 519 Ca 0.06 1.34 -0.16 0.00 0.00 0.00 0.00 51.96 53.20 1xsj s ALA 519 Cb -0.16 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 1xsj s ALA 519 CO 0.08 -0.89 0.83 -2.30 0.00 0.00 0.00 175.76 173.47 1xsj n PRO 520 N 0.25 0.43 -0.20 0.00 -0.02 -1.26 -4.78 135.00 129.42 1xsj n PRO 520 Ca 0.03 0.20 -0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1xsj n PRO 520 Cb 0.42 -2.09 0.09 0.00 -0.02 0.00 0.00 33.50 31.90 1xsj n PRO 520 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsj h ALA 521 N -0.31 0.77 -0.58 3.55 0.00 -1.94 -1.85 119.26 118.89 1xsj h ALA 521 Ca -0.47 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.57 1xsj h ALA 521 Cb 1.34 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1xsj h ALA 521 CO 0.45 -0.13 0.27 1.12 0.00 0.00 0.00 179.25 180.96 1xsj h HIS 522 N 0.47 0.49 -0.22 0.00 2.07 -1.97 -0.55 115.15 115.43 1xsj h HIS 522 Ca 0.29 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.83 1xsj h HIS 522 Cb 0.29 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 1xsj h HIS 522 CO -0.14 0.20 0.15 0.28 -3.07 0.00 0.00 177.93 175.35 1xsj h VAL 523 N 0.51 1.05 -0.49 6.12 2.07 -1.72 -0.96 116.25 122.83 1xsj h VAL 523 Ca 0.27 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.75 1xsj h VAL 523 Cb 0.24 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1xsj h VAL 523 CO -0.22 0.05 0.18 0.22 0.02 0.00 0.00 177.57 177.83 1xsj h TYR 524 N 0.30 0.32 -0.19 1.57 3.20 -0.90 -1.20 116.97 120.06 1xsj h TYR 524 Ca 0.08 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1xsj h TYR 524 Cb -0.03 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1xsj h TYR 524 CO -0.07 0.11 0.11 0.87 -1.64 0.00 0.00 178.16 177.54 1xsj h LYS 525 N 0.36 0.26 -0.89 1.82 1.57 -0.74 0.17 116.57 119.13 1xsj h LYS 525 Ca 0.23 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1xsj h LYS 525 Cb 0.24 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1xsj h LYS 525 CO -0.23 0.25 0.58 0.00 -0.57 0.00 0.00 179.45 179.48 1xsj h ARG 526 N 0.21 1.12 -0.17 3.15 2.47 -0.98 -2.37 114.38 117.82 1xsj h ARG 526 Ca 0.07 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 1xsj h ARG 526 Cb 0.06 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.12 1xsj h ARG 526 CO -0.01 0.74 -0.50 2.35 0.56 0.00 0.00 179.97 183.11 1xsj h TRP 527 N 1.15 0.55 -0.50 3.04 2.91 -0.79 -2.95 115.95 119.37 1xsj h TRP 527 Ca 0.34 -0.18 0.07 0.00 1.13 0.00 0.00 58.89 60.25 1xsj h TRP 527 Cb -0.05 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 28.43 1xsj h TRP 527 CO -0.01 0.86 0.17 0.00 -1.03 0.00 0.00 178.44 178.43 1xsj h ALA 529 N 1.34 0.65 -0.21 0.00 0.00 -1.34 -1.54 119.26 118.16 1xsj h ALA 529 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1xsj h ALA 529 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xsj h ALA 529 CO -0.25 0.15 0.06 0.35 0.00 0.00 0.00 179.25 179.55 1xsj h PHE 530 N 0.68 0.34 -0.27 0.00 3.57 -1.29 -2.42 116.94 117.55 1xsj h PHE 530 Ca 0.18 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 1xsj h PHE 530 Cb 0.02 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1xsj h PHE 530 CO -0.02 0.42 -0.29 0.78 -2.23 0.00 0.00 178.31 176.97 1xsj h GLY 531 N 0.16 0.59 2.00 2.40 0.00 -0.46 -2.27 103.07 105.49 1xsj h GLY 531 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xsj h GLY 531 CO -0.00 0.47 0.00 1.04 0.00 0.00 0.00 176.54 178.05 1xsj n LEU 532 N -4.09 0.60 -1.74 3.11 7.99 -0.59 -2.69 117.00 119.59 1xsj n LEU 532 Ca -0.01 0.59 -0.16 0.00 -0.01 0.00 0.00 56.01 56.43 1xsj n LEU 532 Cb 0.44 -0.45 0.18 0.00 -0.11 0.00 0.00 43.42 43.48 1xsj n LEU 532 CO 0.43 -0.30 0.98 0.18 -1.51 0.00 0.00 177.39 177.17 1xsj n LEU 533 N -2.10 5.53 -4.61 2.23 7.99 -0.87 -4.75 117.00 120.42 1xsj n LEU 533 Ca 0.04 -3.80 -0.25 0.00 -0.01 0.00 0.00 56.01 51.99 1xsj n LEU 533 Cb 0.33 -0.74 -0.09 0.00 -0.11 0.00 0.00 43.42 42.81 1xsj n LEU 533 CO 0.25 1.23 -0.32 -0.44 -1.51 0.00 0.00 177.39 176.60 1xsj s SER 534 N -2.02 4.07 0.22 -1.43 0.01 -1.10 -4.96 113.70 108.50 1xsj s SER 534 Ca 0.52 -1.06 -0.07 0.00 1.31 0.00 0.00 55.95 56.65 1xsj s SER 534 Cb 0.45 -0.48 0.30 0.00 0.21 0.00 0.00 66.02 66.50 1xsj s SER 534 CO 0.04 -0.24 1.81 0.77 0.41 0.00 0.00 173.24 176.03 1xsj h SER 535 N 1.85 0.62 -4.23 2.44 4.64 -1.87 -3.42 113.55 113.59 1xsj h SER 535 Ca -0.43 0.03 -0.52 0.00 -0.47 0.00 0.00 61.79 60.41 1xsj h SER 535 Cb 1.25 -0.09 -0.29 0.00 -0.31 0.00 0.00 62.40 62.96 1xsj h SER 535 CO 0.68 0.39 -0.82 -1.00 -0.87 0.00 0.00 176.83 175.21 1xsj s HIS 536 N -6.07 1.44 -0.17 4.77 3.76 -1.20 -4.73 115.29 113.09 1xsj s HIS 536 Ca -0.13 -0.29 -0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1xsj s HIS 536 Cb 0.17 -0.93 0.04 0.00 1.11 0.00 0.00 32.58 32.97 1xsj s HIS 536 CO 0.77 -0.04 -0.07 -1.12 -0.85 0.00 0.00 174.74 173.43 1xsj s SER 537 N -0.33 2.91 -0.04 1.40 0.01 -1.26 -4.33 113.70 112.06 1xsj s SER 537 Ca 0.05 -0.68 -0.00 0.00 1.31 0.00 0.00 55.95 56.63 1xsj s SER 537 Cb -0.07 -1.00 0.03 0.00 0.21 0.00 0.00 66.02 65.19 1xsj s SER 537 CO -0.00 -0.16 0.01 -0.60 0.41 0.00 0.00 173.24 172.89 1xsj s ARG 538 N 1.57 0.30 -0.55 12.44 3.52 -1.26 -1.15 118.95 133.82 1xsj s ARG 538 Ca 0.01 0.13 -0.24 0.00 -0.13 0.00 0.00 55.73 55.50 1xsj s ARG 538 Cb -0.15 -0.58 0.04 0.00 -1.56 0.00 0.00 34.95 32.71 1xsj s ARG 538 CO -0.08 -0.20 0.92 -0.51 -0.81 0.00 0.00 175.30 174.62 1xsj s LEU 539 N 1.38 4.16 -0.04 -0.88 1.43 -0.42 -0.17 118.68 124.14 1xsj s LEU 539 Ca -0.05 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1xsj s LEU 539 Cb -0.13 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.30 1xsj s LEU 539 CO -0.03 -1.21 0.10 -2.28 0.23 0.00 0.00 176.35 173.17 1xsj s HIS 540 N 3.87 -0.11 0.08 0.29 2.46 -1.26 -2.20 115.29 118.41 1xsj s HIS 540 Ca 0.29 0.29 -0.00 0.00 0.47 0.00 0.00 55.06 56.11 1xsj s HIS 540 Cb -0.13 0.02 -0.04 0.00 -0.13 0.00 0.00 32.58 32.30 1xsj s HIS 540 CO 0.19 -0.07 -0.02 0.20 -2.47 0.00 0.00 174.74 172.57 1xsj s GLY 541 N 0.19 0.64 -0.06 1.59 0.00 -1.26 -4.31 107.32 104.12 1xsj s GLY 541 Ca -0.01 -1.29 -0.01 0.00 0.00 0.00 0.00 44.72 43.41 1xsj s GLY 541 CO -0.01 -1.36 -0.01 0.23 0.00 0.00 0.00 173.10 171.95 1xsj h SER 542 N 3.05 0.00 -0.00 1.64 0.87 -1.41 0.71 113.55 118.41 1xsj h SER 542 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1xsj h SER 542 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1xsj h SER 542 CO 0.65 0.30 -0.09 0.29 -0.53 0.00 0.00 176.83 177.45 1xsj n LYS 543 N -3.55 3.63 -4.27 2.24 5.02 -1.26 -1.27 118.16 118.70 1xsj n LYS 543 Ca -0.01 -0.25 -0.15 0.00 -2.02 0.00 0.00 58.31 55.88 1xsj n LYS 543 Cb 0.02 -0.79 -0.10 0.00 -0.02 0.00 0.00 35.03 34.13 1xsj n LYS 543 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xsj s SER 544 N -0.91 1.42 0.64 4.39 1.04 -1.26 -4.68 113.70 114.34 1xsj s SER 544 Ca 0.02 -1.18 -0.12 0.00 0.48 0.00 0.00 55.95 55.15 1xsj s SER 544 Cb 0.02 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1xsj s SER 544 CO 0.09 -0.54 1.04 -0.31 0.98 0.00 0.00 173.24 174.50 1xsj s TYR 545 N -3.57 3.30 -0.28 5.02 2.02 -1.26 -4.42 117.35 118.16 1xsj s TYR 545 Ca 0.25 1.39 0.06 0.00 -0.37 0.00 0.00 57.07 58.40 1xsj s TYR 545 Cb 0.06 -2.83 0.14 0.00 -0.40 0.00 0.00 41.96 38.92 1xsj s TYR 545 CO 0.05 -0.95 1.11 0.54 -1.57 0.00 0.00 175.55 174.73 1xsj n ARG 546 N -2.71 2.79 -1.72 -0.62 5.12 -1.26 -4.94 116.66 113.31 1xsj n ARG 546 Ca 0.07 -1.83 -0.42 0.00 -1.93 0.00 0.00 57.85 53.74 1xsj n ARG 546 Cb 0.54 -1.17 -0.03 0.00 -1.16 0.00 0.00 32.46 30.64 1xsj n ARG 546 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1xsj n VAL 547 N -0.32 0.16 -0.23 1.55 0.24 -1.26 -4.89 118.33 113.57 1xsj n VAL 547 Ca 0.06 -0.04 0.18 0.00 -2.04 0.00 0.00 64.34 62.50 1xsj n VAL 547 Cb 0.37 -1.98 0.51 0.00 -1.47 0.00 0.00 33.84 31.27 1xsj n VAL 547 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1xsj h PRO 548 N 6.46 0.40 0.00 7.34 0.11 -1.93 0.13 132.00 144.51 1xsj h PRO 548 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xsj h PRO 548 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xsj h PRO 548 CO 0.93 0.27 0.00 -2.67 -0.21 0.00 0.00 178.00 176.32 1xsj n TRP 549 N -4.51 0.00 0.38 0.65 2.14 -1.26 -1.09 117.44 113.75 1xsj n TRP 549 Ca 0.18 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.89 1xsj n TRP 549 Cb 0.67 -0.46 0.53 0.00 -0.81 0.00 0.00 31.31 31.24 1xsj n TRP 549 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xsj h ALA 550 N 2.70 1.00 0.00 -1.67 0.00 -1.32 -3.39 119.26 116.57 1xsj h ALA 550 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsj h ALA 550 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xsj h ALA 550 CO 0.00 0.00 -0.25 0.66 0.00 0.00 0.00 179.25 179.66 1xsj n TYR 551 N -2.53 0.00 -3.88 0.00 4.02 -0.25 -5.10 117.16 109.43 1xsj n TYR 551 Ca 0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.87 1xsj n TYR 551 Cb 0.28 -0.12 0.02 0.00 -0.02 0.00 0.00 39.34 39.50 1xsj n TYR 551 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1xsj s ASP 552 N -4.64 0.02 0.06 7.72 1.47 -1.14 -4.88 116.67 115.28 1xsj s ASP 552 Ca -0.07 -0.82 -0.24 0.00 1.18 0.00 0.00 52.55 52.60 1xsj s ASP 552 Cb 0.01 0.59 -0.16 0.00 -0.34 0.00 0.00 42.92 43.02 1xsj s ASP 552 CO 0.11 -1.18 1.61 0.44 0.68 0.00 0.00 175.17 176.83 1xsj h ASP 553 N 2.00 -0.02 -0.82 2.11 3.32 -1.90 -2.90 116.42 118.21 1xsj h ASP 553 Ca -0.29 -0.13 0.19 0.00 0.02 0.00 0.00 57.03 56.82 1xsj h ASP 553 Cb 1.22 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.73 1xsj h ASP 553 CO 0.38 0.12 0.55 -0.08 -1.72 0.00 0.00 179.24 178.49 1xsj h GLU 554 N -0.15 0.30 -0.38 3.56 4.81 -1.97 -1.24 114.58 119.50 1xsj h GLU 554 Ca -0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1xsj h GLU 554 Cb 0.14 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1xsj h GLU 554 CO 0.00 0.20 0.06 0.77 -0.73 0.00 0.00 179.01 179.31 1xsj h SER 555 N 0.30 0.53 -0.70 1.04 0.02 -1.79 0.12 113.55 113.06 1xsj h SER 555 Ca 0.41 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1xsj h SER 555 Cb 1.14 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 1xsj h SER 555 CO -0.12 0.56 0.28 0.00 -1.14 0.00 0.00 176.83 176.41 1xsj h ASP 557 N 1.00 0.94 0.06 0.00 3.32 -0.82 -1.96 116.42 118.96 1xsj h ASP 557 Ca 0.23 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1xsj h ASP 557 Cb 0.21 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1xsj h ASP 557 CO -0.02 0.98 -0.03 0.58 -1.72 0.00 0.00 179.24 179.04 1xsj h VAL 558 N 0.87 0.97 -0.73 -1.35 2.07 -0.47 0.22 116.25 117.83 1xsj h VAL 558 Ca 0.17 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1xsj h VAL 558 Cb 0.46 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1xsj h VAL 558 CO 0.02 0.02 0.46 0.58 0.02 0.00 0.00 177.57 178.67 1xsj h VAL 559 N -0.11 1.11 0.25 2.57 2.07 -1.18 -2.16 116.25 118.80 1xsj h VAL 559 Ca -0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1xsj h VAL 559 Cb 0.09 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1xsj h VAL 559 CO 0.01 0.17 -0.26 -0.09 0.02 0.00 0.00 177.57 177.41 1xsj h ARG 560 N 0.91 -0.53 -0.22 1.57 2.43 -1.10 -1.17 114.38 116.27 1xsj h ARG 560 Ca 0.29 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1xsj h ARG 560 Cb 0.00 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1xsj h ARG 560 CO -0.10 -0.35 0.14 0.35 -1.51 0.00 0.00 179.97 178.50 1xsj h PHE 561 N -0.55 0.27 0.00 2.20 3.04 -0.71 -0.94 116.94 120.24 1xsj h PHE 561 Ca -0.00 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.85 1xsj h PHE 561 Cb 0.51 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 1xsj h PHE 561 CO -0.18 0.17 -0.58 0.74 -2.02 0.00 0.00 178.31 176.44 1xsj h PHE 562 N 0.29 0.00 -0.13 0.41 0.04 -1.41 -1.65 116.94 114.50 1xsj h PHE 562 Ca 0.08 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 1xsj h PHE 562 Cb -0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1xsj h PHE 562 CO -0.06 0.48 -0.25 1.15 -0.60 0.00 0.00 178.31 179.03 1xsj h THR 563 N 0.00 1.37 -0.23 -1.55 2.02 -1.09 -1.20 112.91 112.23 1xsj h THR 563 Ca -0.02 -1.52 0.05 0.00 0.77 0.00 0.00 66.41 65.69 1xsj h THR 563 Cb 1.38 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 69.79 1xsj h THR 563 CO 0.06 0.45 -0.05 1.56 0.37 0.00 0.00 175.52 177.90 1xsj h GLN 564 N -0.02 0.01 -0.31 6.66 4.20 -1.12 -2.14 115.11 122.39 1xsj h GLN 564 Ca 0.00 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1xsj h GLN 564 Cb 0.84 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.56 1xsj h GLN 564 CO 0.06 0.00 -0.04 1.25 -0.67 0.00 0.00 178.83 179.43 1xsj h LEU 565 N 0.01 -0.20 -0.49 1.46 5.85 -1.26 -0.68 115.31 119.99 1xsj h LEU 565 Ca 0.11 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1xsj h LEU 565 Cb 0.17 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1xsj h LEU 565 CO -0.23 -0.06 0.28 0.50 -0.34 0.00 0.00 178.44 178.58 1xsj h LYS 566 N 0.05 0.68 -0.78 1.25 3.64 -1.01 0.25 116.57 120.65 1xsj h LYS 566 Ca 0.15 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1xsj h LYS 566 Cb 0.21 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 1xsj h LYS 566 CO -0.28 0.52 0.48 0.00 -2.27 0.00 0.00 179.45 177.89 1xsj h ARG 568 N 0.89 0.74 0.00 0.00 3.08 -0.28 -2.83 114.38 115.98 1xsj h ARG 568 Ca 0.34 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1xsj h ARG 568 Cb 0.13 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xsj h ARG 568 CO -0.16 0.64 0.00 -1.33 -1.07 0.00 0.00 179.97 178.05 1xsj n MET 569 N -4.32 0.37 -0.19 0.04 2.81 0.80 -0.54 117.12 116.08 1xsj n MET 569 Ca 0.04 0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.07 1xsj n MET 569 Cb 0.18 -1.50 0.43 0.00 -0.71 0.00 0.00 33.22 31.63 1xsj n MET 569 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xsj h MET 570 N 0.00 0.55 -0.99 0.03 2.86 -1.14 -1.26 114.93 114.99 1xsj h MET 570 Ca 0.00 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1xsj h MET 570 Cb 0.28 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 1xsj h MET 570 CO 0.00 0.37 0.65 -1.35 1.06 0.00 0.00 176.91 177.63 1xsj h PRO 571 N 0.57 1.21 0.21 -0.22 0.11 -1.76 0.20 132.00 132.32 1xsj h PRO 571 Ca 0.37 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 1xsj h PRO 571 Cb 0.66 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1xsj h PRO 571 CO -0.14 0.80 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.44 1xsj h TYR 572 N 1.25 -0.26 -0.10 0.65 3.20 -1.19 -3.21 116.97 117.32 1xsj h TYR 572 Ca 0.39 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.25 1xsj h TYR 572 Cb -0.00 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 1xsj h TYR 572 CO -0.00 0.11 0.04 -0.07 -1.64 0.00 0.00 178.16 176.60 1xsj h LEU 573 N -0.67 0.13 -1.60 2.82 4.07 -1.06 -1.42 115.31 117.59 1xsj h LEU 573 Ca -0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 1xsj h LEU 573 Cb 0.48 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.17 1xsj h LEU 573 CO 0.05 0.24 0.16 0.22 -1.08 0.00 0.00 178.44 178.02 1xsj h TYR 574 N 0.02 0.41 -0.61 1.13 3.20 -0.76 0.31 116.97 120.67 1xsj h TYR 574 Ca 0.03 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1xsj h TYR 574 Cb 0.15 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1xsj h TYR 574 CO -0.02 0.30 0.28 -0.09 -1.64 0.00 0.00 178.16 177.00 1xsj h ARG 575 N 0.43 0.89 -0.70 1.82 9.65 -1.45 -1.39 114.38 123.63 1xsj h ARG 575 Ca 0.11 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 1xsj h ARG 575 Cb 0.04 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 1xsj h ARG 575 CO -0.02 0.72 0.23 0.93 2.80 0.00 0.00 179.97 184.63 1xsj h GLU 576 N 0.84 1.06 -0.98 0.20 4.39 0.19 -2.51 114.58 117.78 1xsj h GLU 576 Ca 0.21 -0.21 0.08 0.00 0.34 0.00 0.00 59.36 59.77 1xsj h GLU 576 Cb 0.14 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.55 1xsj h GLU 576 CO -0.02 0.90 0.63 0.00 -1.16 0.00 0.00 179.01 179.36 1xsj h ALA 577 N 1.22 1.45 0.00 3.43 0.00 -0.15 -2.07 119.26 123.14 1xsj h ALA 577 Ca 0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1xsj h ALA 577 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xsj h ALA 577 CO -0.01 0.38 -0.39 0.00 0.00 0.00 0.00 179.25 179.24 1xsj h ALA 578 N 1.48 1.20 -0.52 0.00 0.00 -0.83 -2.44 119.26 118.16 1xsj h ALA 578 Ca 0.44 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1xsj h ALA 578 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xsj h ALA 578 CO -0.18 0.49 -0.01 -0.09 0.00 0.00 0.00 179.25 179.46 1xsj h ARG 579 N 0.00 0.88 -0.65 0.00 2.43 -1.11 -0.74 114.38 115.19 1xsj h ARG 579 Ca -0.00 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 58.94 1xsj h ARG 579 Cb 0.76 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 1xsj h ARG 579 CO 0.05 0.88 0.40 0.00 -1.51 0.00 0.00 179.97 179.80 1xsj h ALA 580 N 1.17 0.84 -0.27 2.80 0.00 -1.13 -0.25 119.26 122.43 1xsj h ALA 580 Ca 0.15 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1xsj h ALA 580 Cb 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xsj h ALA 580 CO 0.02 0.17 -0.56 -0.97 0.00 0.00 0.00 179.25 177.92 1xsj h ASN 581 N 0.80 0.95 0.54 0.00 -0.73 -1.27 0.46 115.58 116.33 1xsj h ASN 581 Ca 0.26 -0.54 -0.29 0.00 1.87 0.00 0.00 56.30 57.59 1xsj h ASN 581 Cb 0.01 -0.27 0.01 0.00 0.27 0.00 0.00 38.32 38.34 1xsj h ASN 581 CO -0.10 1.32 -1.30 0.00 -0.37 0.00 0.00 177.43 176.98 1xsj h ALA 582 N 0.66 0.03 0.00 1.57 0.00 -1.08 -3.40 119.26 117.03 1xsj h ALA 582 Ca 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1xsj h ALA 582 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xsj h ALA 582 CO 0.12 0.91 0.00 0.54 0.00 0.00 0.00 179.25 180.82 1xsj n ARG 583 N -3.58 0.20 -1.22 0.00 1.74 -0.11 -5.02 116.66 108.67 1xsj n ARG 583 Ca -0.11 -0.57 -0.08 0.00 -0.77 0.00 0.00 57.85 56.33 1xsj n ARG 583 Cb 1.04 -0.80 -0.03 0.00 -1.02 0.00 0.00 32.46 31.65 1xsj n ARG 583 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xsj n GLY 584 N -0.10 0.93 3.62 -0.13 0.00 0.16 -3.40 105.19 106.27 1xsj n GLY 584 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1xsj n GLY 584 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsj s THR 585 N -2.11 4.18 0.66 2.61 2.01 -1.21 -4.82 115.64 116.96 1xsj s THR 585 Ca 0.00 1.30 -0.16 0.00 0.31 0.00 0.00 61.69 63.14 1xsj s THR 585 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1xsj s THR 585 CO 0.00 -0.60 1.14 -2.16 -0.69 0.00 0.00 174.62 172.31 1xsj s PRO 586 N 4.24 2.69 0.16 4.92 0.04 -1.26 -2.82 135.00 142.97 1xsj s PRO 586 Ca 0.54 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 1xsj s PRO 586 Cb -0.14 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1xsj s PRO 586 CO 0.25 -1.37 1.67 0.52 0.04 0.00 0.00 177.00 178.11 1xsj h MET 587 N 0.11 0.89 -5.09 4.56 2.86 -1.74 -3.40 114.93 113.12 1xsj h MET 587 Ca -0.48 -0.21 -0.65 0.00 -2.06 0.00 0.00 59.70 56.30 1xsj h MET 587 Cb 1.26 -0.12 -0.16 0.00 0.06 0.00 0.00 31.60 32.65 1xsj h MET 587 CO 0.53 0.83 -0.16 1.41 1.06 0.00 0.00 176.91 180.58 1xsj s MET 588 N -5.32 3.58 -0.11 1.72 -2.45 -1.26 -0.99 119.30 114.47 1xsj s MET 588 Ca -0.13 -0.30 0.04 0.00 -1.25 0.00 0.00 55.69 54.05 1xsj s MET 588 Cb 0.12 -3.81 0.00 0.00 1.25 0.00 0.00 34.83 32.39 1xsj s MET 588 CO 0.81 -0.60 -0.23 1.03 1.05 0.00 0.00 175.02 177.08 1xsj s ARG 589 N 2.21 2.96 0.35 4.11 0.52 0.11 -4.77 118.95 124.45 1xsj s ARG 589 Ca 0.15 -0.85 -0.28 0.00 -0.52 0.00 0.00 55.73 54.23 1xsj s ARG 589 Cb -0.16 -2.27 -0.12 0.00 0.52 0.00 0.00 34.95 32.92 1xsj s ARG 589 CO 0.13 0.13 1.39 0.00 0.02 0.00 0.00 175.30 176.97 1xsj n ALA 590 N 3.65 1.82 -0.33 2.13 0.00 -1.26 -0.18 120.51 126.34 1xsj n ALA 590 Ca -0.19 0.35 0.16 0.00 0.00 0.00 0.00 53.44 53.76 1xsj n ALA 590 Cb 0.53 -2.34 0.36 0.00 0.00 0.00 0.00 19.45 18.00 1xsj n ALA 590 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1xsj h MET 591 N 2.86 0.48 0.00 0.00 0.00 -1.79 0.03 114.93 116.51 1xsj h MET 591 Ca -0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 59.70 59.16 1xsj h MET 591 Cb 1.26 -0.11 -0.00 0.00 0.00 0.00 0.00 31.60 32.75 1xsj h MET 591 CO 0.64 0.32 -0.13 0.00 0.00 0.00 0.00 176.91 177.74 1xsj h MET 592 N 0.49 0.00 -0.08 1.72 -0.00 -1.82 -0.55 114.93 114.69 1xsj h MET 592 Ca 0.62 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 60.11 1xsj h MET 592 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 1xsj h MET 592 CO -0.51 0.13 -0.79 1.98 -0.00 0.00 0.00 176.91 177.72 1xsj h MET 593 N 0.00 0.50 0.00 -0.10 1.85 -1.34 -2.90 114.93 112.94 1xsj h MET 593 Ca -0.00 -0.43 -0.21 0.00 -0.61 0.00 0.00 59.70 58.45 1xsj h MET 593 Cb 0.29 0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.38 1xsj h MET 593 CO 0.02 1.07 -1.33 1.49 -0.40 0.00 0.00 176.91 177.75 1xsj h GLU 594 N 0.33 0.00 -2.12 0.39 4.57 -1.39 -3.40 114.58 112.96 1xsj h GLU 594 Ca -0.05 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.55 1xsj h GLU 594 Cb 1.39 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 29.57 1xsj h GLU 594 CO 0.14 0.49 -0.78 1.19 -1.18 0.00 0.00 179.01 178.87 1xsj n PHE 595 N -3.06 2.21 0.22 0.92 3.01 -0.25 -4.97 117.46 115.54 1xsj n PHE 595 Ca -0.09 -3.94 0.06 0.00 1.01 0.00 0.00 57.45 54.49 1xsj n PHE 595 Cb 0.91 -0.48 0.51 0.00 -0.01 0.00 0.00 39.48 40.41 1xsj n PHE 595 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xsj h PRO 596 N 4.07 0.00 -0.00 -1.08 0.13 -1.72 -2.72 132.00 130.69 1xsj h PRO 596 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xsj h PRO 596 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1xsj h PRO 596 CO 0.70 0.22 -0.09 -0.25 -0.23 0.00 0.00 178.00 178.36 1xsj n ASP 597 N -4.11 0.29 -4.49 1.44 8.00 -1.26 -4.80 116.55 111.63 1xsj n ASP 597 Ca -0.02 -0.35 -0.43 0.00 0.71 0.00 0.00 54.79 54.70 1xsj n ASP 597 Cb 0.29 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.16 1xsj n ASP 597 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xsj s ASP 598 N -2.57 6.24 0.44 -2.24 -1.08 -1.03 -4.94 116.67 111.49 1xsj s ASP 598 Ca 0.27 -0.62 0.29 0.00 -0.52 0.00 0.00 52.55 51.98 1xsj s ASP 598 Cb 0.20 -2.26 1.59 0.00 -1.46 0.00 0.00 42.92 40.99 1xsj s ASP 598 CO 0.49 -0.69 1.90 1.55 0.52 0.00 0.00 175.17 178.93 1xsj h PRO 599 N 8.81 0.00 -0.00 4.34 0.13 -1.88 -1.38 132.00 142.03 1xsj h PRO 599 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xsj h PRO 599 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1xsj h PRO 599 CO 0.85 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 178.56 1xsj n ALA 600 N -1.88 2.51 1.07 -0.56 0.00 -1.26 -3.78 120.51 116.62 1xsj n ALA 600 Ca -0.02 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1xsj n ALA 600 Cb 0.05 -1.42 0.14 0.00 0.00 0.00 0.00 19.45 18.21 1xsj n ALA 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsj h ASP 602 N 3.55 0.80 -0.25 0.00 3.32 -1.72 -3.16 116.42 118.95 1xsj h ASP 602 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1xsj h ASP 602 Cb 0.84 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1xsj h ASP 602 CO 0.00 0.65 0.00 -1.22 -1.72 0.00 0.00 179.24 176.95 1xsj n TYR 603 N -4.55 0.32 -2.21 4.55 4.01 -1.26 -4.86 117.16 113.16 1xsj n TYR 603 Ca 0.05 -0.24 -0.42 0.00 -0.16 0.00 0.00 57.90 57.13 1xsj n TYR 603 Cb 0.08 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 1xsj n TYR 603 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsj s LEU 604 N -1.18 4.29 0.00 7.72 1.43 -1.20 -4.84 118.68 124.91 1xsj s LEU 604 Ca 0.26 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1xsj s LEU 604 Cb 0.15 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1xsj s LEU 604 CO 0.22 -0.77 0.08 -0.90 0.23 0.00 0.00 176.35 175.21 1xsj n ASP 605 N 5.96 0.00 -0.65 2.29 3.85 -1.26 -4.49 116.55 122.25 1xsj n ASP 605 Ca 0.14 -1.00 0.06 0.00 -0.71 0.00 0.00 54.79 53.28 1xsj n ASP 605 Cb 0.44 0.00 0.16 0.00 -1.35 0.00 0.00 41.12 40.36 1xsj n ASP 605 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xsj n ARG 606 N 0.00 2.88 -4.03 0.11 1.74 -1.26 -4.50 116.66 111.60 1xsj n ARG 606 Ca 0.00 -2.08 -0.10 0.00 -0.77 0.00 0.00 57.85 54.90 1xsj n ARG 606 Cb 0.29 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 1xsj n ARG 606 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1xsj s GLN 607 N -1.06 1.42 0.20 5.56 -2.07 -1.26 -3.86 119.66 118.59 1xsj s GLN 607 Ca 0.24 -1.32 -0.23 0.00 -1.82 0.00 0.00 55.36 52.23 1xsj s GLN 607 Cb 0.13 0.42 0.05 0.00 -1.09 0.00 0.00 33.01 32.51 1xsj s GLN 607 CO 0.16 -0.56 0.85 1.52 -1.32 0.00 0.00 175.29 175.94 1xsj s TYR 608 N -4.04 -0.16 -0.21 9.60 -0.85 -0.31 -4.47 117.35 116.91 1xsj s TYR 608 Ca 0.25 -0.20 -0.13 0.00 -0.52 0.00 0.00 57.07 56.47 1xsj s TYR 608 Cb 0.01 0.67 -0.05 0.00 0.38 0.00 0.00 41.96 42.97 1xsj s TYR 608 CO 0.08 -0.99 0.26 -1.64 -1.52 0.00 0.00 175.55 171.74 1xsj s MET 609 N -3.55 4.16 -0.66 -3.49 -1.94 0.74 -0.67 119.30 113.90 1xsj s MET 609 Ca 0.11 -0.03 -0.16 0.00 -1.71 0.00 0.00 55.69 53.90 1xsj s MET 609 Cb -0.03 -3.50 0.15 0.00 2.01 0.00 0.00 34.83 33.45 1xsj s MET 609 CO 0.04 0.09 0.67 -1.17 -0.01 0.00 0.00 175.02 174.64 1xsj s LEU 610 N 0.93 6.05 0.00 -0.03 2.96 0.86 -0.71 118.68 128.74 1xsj s LEU 610 Ca 0.13 -1.95 0.00 0.00 -0.22 0.00 0.00 54.13 52.09 1xsj s LEU 610 Cb -0.13 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.31 1xsj s LEU 610 CO 0.05 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 174.82 1xsj n GLY 611 N 4.94 -1.51 0.32 7.98 0.00 -0.16 -3.86 105.19 112.89 1xsj n GLY 611 Ca -0.03 -1.27 -0.02 0.00 0.00 0.00 0.00 46.02 44.71 1xsj n GLY 611 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xsj h ASP 612 N 0.00 0.89 -0.00 1.61 5.19 -1.91 -3.38 116.42 118.81 1xsj h ASP 612 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xsj h ASP 612 Cb 0.00 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.31 1xsj h ASP 612 CO 0.00 0.61 -0.07 0.59 -3.12 0.00 0.00 179.24 177.25 1xsj n ASN 613 N -4.57 0.67 -4.09 6.45 3.02 -1.26 -4.97 115.26 110.52 1xsj n ASN 613 Ca 0.10 -0.84 -0.30 0.00 -0.03 0.00 0.00 54.58 53.51 1xsj n ASN 613 Cb 0.09 0.52 -0.17 0.00 -0.61 0.00 0.00 39.78 39.62 1xsj n ASN 613 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xsj s VAL 614 N -0.78 1.74 -0.07 2.41 -7.23 -1.25 -2.09 120.40 113.12 1xsj s VAL 614 Ca 0.02 -0.77 -0.22 0.00 -1.81 0.00 0.00 61.98 59.20 1xsj s VAL 614 Cb 0.02 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1xsj s VAL 614 CO 0.08 0.49 0.64 -0.32 -0.31 0.00 0.00 175.10 175.68 1xsj s MET 615 N 1.06 4.41 -0.12 4.82 1.75 0.18 -0.10 119.30 131.30 1xsj s MET 615 Ca -0.03 0.78 0.03 0.00 -1.25 0.00 0.00 55.69 55.21 1xsj s MET 615 Cb -0.15 -3.44 0.01 0.00 2.84 0.00 0.00 34.83 34.10 1xsj s MET 615 CO -0.04 0.11 -0.21 0.08 -0.65 0.00 0.00 175.02 174.31 1xsj s VAL 616 N 0.69 1.90 -0.35 10.11 1.01 0.15 -1.03 120.40 132.88 1xsj s VAL 616 Ca 0.35 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1xsj s VAL 616 Cb -0.17 -1.68 0.10 0.00 0.00 0.00 0.00 36.38 34.63 1xsj s VAL 616 CO 0.16 0.52 0.07 0.00 0.00 0.00 0.00 175.10 175.86 1xsj s ALA 617 N 0.75 2.82 0.74 5.51 0.00 -0.94 -1.16 121.76 129.48 1xsj s ALA 617 Ca -0.10 -2.53 -0.15 0.00 0.00 0.00 0.00 51.96 49.18 1xsj s ALA 617 Cb -0.16 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.03 1xsj s ALA 617 CO 0.01 -1.72 1.11 -2.30 0.00 0.00 0.00 175.76 172.86 1xsj n PRO 618 N 4.20 0.51 -3.59 0.00 -0.02 -1.25 -3.97 135.00 130.88 1xsj n PRO 618 Ca 0.04 0.24 -0.38 0.00 -2.02 0.00 0.00 63.50 61.37 1xsj n PRO 618 Cb 0.41 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.43 1xsj n PRO 618 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xsj s VAL 619 N -1.84 5.18 -0.30 -1.45 1.01 -1.26 -4.97 120.40 116.76 1xsj s VAL 619 Ca 0.75 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.85 1xsj s VAL 619 Cb -0.33 -3.52 0.62 0.00 0.00 0.00 0.00 36.38 33.15 1xsj s VAL 619 CO 0.49 0.19 1.65 0.49 0.00 0.00 0.00 175.10 177.91 1xsj n PHE 620 N 5.06 1.84 -4.13 5.22 3.72 -1.26 -4.83 117.46 123.07 1xsj n PHE 620 Ca -0.14 -1.35 -0.12 0.00 -0.05 0.00 0.00 57.45 55.79 1xsj n PHE 620 Cb 0.51 -0.59 -0.11 0.00 -0.94 0.00 0.00 39.48 38.35 1xsj n PHE 620 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1xsj s THR 621 N -3.08 0.67 0.05 4.37 -4.23 -1.26 -4.91 115.64 107.24 1xsj s THR 621 Ca 0.50 -1.55 -0.33 0.00 -1.18 0.00 0.00 61.69 59.13 1xsj s THR 621 Cb 0.42 -1.21 -0.19 0.00 1.34 0.00 0.00 72.50 72.86 1xsj s THR 621 CO 0.08 -0.63 1.48 -0.08 -0.54 0.00 0.00 174.62 174.93 1xsj h GLU 622 N 3.67 -0.97 -0.19 3.99 4.81 -1.93 -2.98 114.58 120.98 1xsj h GLU 622 Ca -0.36 0.07 0.05 0.00 -0.13 0.00 0.00 59.36 58.99 1xsj h GLU 622 Cb 1.18 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1xsj h GLU 622 CO 0.53 -0.63 0.30 0.00 -0.73 0.00 0.00 179.01 178.48 1xsj h ALA 623 N -0.90 1.70 0.00 2.92 0.00 -1.98 -3.46 119.26 117.55 1xsj h ALA 623 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xsj h ALA 623 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xsj h ALA 623 CO 0.17 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.44 1xsj n GLY 624 N -1.35 0.81 3.77 0.00 0.00 -1.13 -4.60 105.19 102.70 1xsj n GLY 624 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1xsj n GLY 624 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsj s ASP 625 N -2.29 6.72 -0.24 1.61 1.01 -1.26 -1.67 116.67 120.55 1xsj s ASP 625 Ca 0.00 2.73 -0.14 0.00 0.71 0.00 0.00 52.55 55.84 1xsj s ASP 625 Cb 0.00 -2.65 0.07 0.00 1.01 0.00 0.00 42.92 41.35 1xsj s ASP 625 CO 0.00 -0.58 0.58 0.54 0.21 0.00 0.00 175.17 175.92 1xsj s VAL 626 N -1.07 -0.01 -0.06 -1.27 0.11 -0.92 -4.33 120.40 112.85 1xsj s VAL 626 Ca 0.50 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.62 1xsj s VAL 626 Cb -0.41 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 1xsj s VAL 626 CO 0.54 0.01 -0.16 -1.10 -3.33 0.00 0.00 175.10 171.06 1xsj s GLN 627 N 1.37 2.62 0.05 1.54 -0.21 -1.26 -1.06 119.66 122.71 1xsj s GLN 627 Ca -0.08 -0.73 -0.09 0.00 0.02 0.00 0.00 55.36 54.48 1xsj s GLN 627 Cb -0.06 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.58 1xsj s GLN 627 CO -0.15 0.53 0.19 -0.59 -2.12 0.00 0.00 175.29 173.15 1xsj s PHE 628 N -0.50 0.08 -0.03 0.91 -0.12 -0.60 -4.99 117.98 112.73 1xsj s PHE 628 Ca 0.06 -0.34 -0.02 0.00 -0.05 0.00 0.00 56.93 56.58 1xsj s PHE 628 Cb -0.12 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.19 1xsj s PHE 628 CO 0.01 -0.45 0.10 -0.47 -0.05 0.00 0.00 175.22 174.37 1xsj s TYR 629 N -2.80 3.38 -0.14 3.49 5.04 -1.26 -0.68 117.35 124.38 1xsj s TYR 629 Ca -0.03 0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.90 1xsj s TYR 629 Cb 0.00 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.53 1xsj s TYR 629 CO -0.05 0.60 -0.15 -0.51 -1.34 0.00 0.00 175.55 174.09 1xsj s LEU 630 N -1.56 1.74 1.02 6.97 1.02 -0.44 -4.98 118.68 122.45 1xsj s LEU 630 Ca 0.21 -0.49 -0.12 0.00 0.02 0.00 0.00 54.13 53.76 1xsj s LEU 630 Cb -0.12 -1.19 0.20 0.00 0.02 0.00 0.00 46.19 45.10 1xsj s LEU 630 CO 0.12 -0.03 1.08 -2.84 0.02 0.00 0.00 176.35 174.70 1xsj s PRO 631 N 1.32 0.22 0.15 1.29 0.02 -1.26 0.25 135.00 136.99 1xsj s PRO 631 Ca 0.02 1.02 -0.34 0.00 0.02 0.00 0.00 61.00 61.72 1xsj s PRO 631 Cb -0.13 -1.67 -0.16 0.00 0.02 0.00 0.00 34.50 32.55 1xsj s PRO 631 CO -0.08 -3.01 1.13 -1.91 -0.33 0.00 0.00 177.00 172.80 1xsj n GLU 632 N -4.44 0.99 0.00 5.54 2.13 -1.26 -2.34 120.64 121.26 1xsj n GLU 632 Ca 0.07 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1xsj n GLU 632 Cb 0.54 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1xsj n GLU 632 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xsj n GLY 633 N 2.01 2.09 3.36 8.31 0.00 -1.26 -4.79 105.19 114.91 1xsj n GLY 633 Ca 0.16 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1xsj n GLY 633 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xsj s ARG 634 N -1.50 2.78 -0.06 1.61 3.52 -1.26 0.95 118.95 124.99 1xsj s ARG 634 Ca 0.00 -1.12 -0.04 0.00 -0.13 0.00 0.00 55.73 54.44 1xsj s ARG 634 Cb 0.00 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1xsj s ARG 634 CO 0.00 -0.72 0.15 -1.58 -0.81 0.00 0.00 175.30 172.35 1xsj s TRP 635 N 1.53 3.54 -0.11 5.12 0.52 0.22 -3.40 118.94 126.36 1xsj s TRP 635 Ca 0.02 0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.57 1xsj s TRP 635 Cb -0.19 -1.87 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 1xsj s TRP 635 CO 0.06 0.67 -0.18 0.99 0.02 0.00 0.00 176.95 178.52 1xsj s THR 636 N -1.18 1.70 0.08 2.01 2.01 -0.19 -0.08 115.64 119.99 1xsj s THR 636 Ca 0.22 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 61.14 1xsj s THR 636 Cb -0.12 -1.53 -0.08 0.00 0.01 0.00 0.00 72.50 70.78 1xsj s THR 636 CO 0.12 0.48 1.64 -2.28 -0.69 0.00 0.00 174.62 173.89 1xsj s HIS 637 N 0.85 2.51 0.40 4.92 2.46 0.42 -0.39 115.29 126.46 1xsj s HIS 637 Ca -0.09 0.36 0.23 0.00 0.47 0.00 0.00 55.06 56.04 1xsj s HIS 637 Cb -0.15 -3.96 1.28 0.00 -0.13 0.00 0.00 32.58 29.62 1xsj s HIS 637 CO -0.00 -3.81 1.66 1.25 -2.47 0.00 0.00 174.74 171.37 1xsj h LEU 638 N 8.32 0.35 0.00 8.88 5.85 -1.29 -1.26 115.31 136.17 1xsj h LEU 638 Ca -0.43 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1xsj h LEU 638 Cb 1.20 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1xsj h LEU 638 CO 0.93 -0.14 -0.46 -2.67 -0.34 0.00 0.00 178.44 175.76 1xsj n TRP 639 N -4.81 0.00 0.14 1.25 2.14 -1.26 -4.77 117.44 110.13 1xsj n TRP 639 Ca 0.34 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.92 1xsj n TRP 639 Cb 1.21 0.00 0.06 0.00 -0.81 0.00 0.00 31.31 31.77 1xsj n TRP 639 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1xsj h HIS 640 N 0.00 0.00 0.00 -2.67 3.86 -1.93 -3.48 115.15 110.93 1xsj h HIS 640 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xsj h HIS 640 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xsj h HIS 640 CO 0.00 0.55 0.00 -1.71 0.86 0.00 0.00 177.93 177.63 1xsj n ASN 641 N -3.29 -0.08 -4.77 2.45 5.15 -0.48 -4.97 115.26 109.27 1xsj n ASN 641 Ca 0.01 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.65 1xsj n ASN 641 Cb 0.73 -1.03 0.02 0.00 -0.53 0.00 0.00 39.78 38.96 1xsj n ASN 641 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1xsj s ASP 642 N -2.58 5.41 0.08 1.20 -4.77 -1.26 -4.56 116.67 110.19 1xsj s ASP 642 Ca 0.00 2.16 0.10 0.00 -3.30 0.00 0.00 52.55 51.51 1xsj s ASP 642 Cb 0.00 -2.58 -0.03 0.00 -1.09 0.00 0.00 42.92 39.22 1xsj s ASP 642 CO 0.00 -1.43 -0.25 -1.61 0.70 0.00 0.00 175.17 172.58 1xsj s GLU 643 N -3.54 1.67 0.00 2.11 2.02 -1.26 -0.43 118.70 119.26 1xsj s GLU 643 Ca 0.72 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1xsj s GLU 643 Cb -0.24 -1.98 -0.00 0.00 0.10 0.00 0.00 34.13 32.01 1xsj s GLU 643 CO 0.33 0.49 -0.01 -0.51 0.02 0.00 0.00 175.26 175.57 1xsj s LEU 644 N -1.64 2.05 -0.04 1.80 1.43 0.89 -4.95 118.68 118.22 1xsj s LEU 644 Ca 0.13 -0.11 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 1xsj s LEU 644 Cb -0.10 -0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.04 1xsj s LEU 644 CO 0.04 -0.04 0.58 -1.81 0.23 0.00 0.00 176.35 175.35 1xsj s ASP 645 N -0.30 6.91 0.54 2.29 1.01 -1.26 0.73 116.67 126.59 1xsj s ASP 645 Ca -0.03 1.08 0.00 0.00 0.71 0.00 0.00 52.55 54.32 1xsj s ASP 645 Cb -0.02 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1xsj s ASP 645 CO -0.00 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.05 1xsj n GLY 646 N 2.69 -0.44 2.30 0.21 0.00 0.27 -4.57 105.19 105.65 1xsj n GLY 646 Ca -0.06 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 1xsj n GLY 646 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xsj n SER 647 N -2.01 -4.24 -3.74 1.61 2.88 0.69 -4.66 113.62 104.15 1xsj n SER 647 Ca 0.00 0.25 -0.10 0.00 -1.33 0.00 0.00 58.87 57.70 1xsj n SER 647 Cb 0.00 -2.67 -0.04 0.00 -0.75 0.00 0.00 64.21 60.75 1xsj n SER 647 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsj s ARG 648 N -2.90 1.37 0.49 -1.46 1.70 -0.82 -4.92 118.95 112.40 1xsj s ARG 648 Ca 0.00 -0.86 -0.19 0.00 -0.47 0.00 0.00 55.73 54.21 1xsj s ARG 648 Cb 0.00 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.81 1xsj s ARG 648 CO 0.00 -0.58 0.99 -1.58 -1.08 0.00 0.00 175.30 173.06 1xsj s TRP 649 N -3.87 3.26 0.04 5.89 0.52 -1.26 -1.33 118.94 122.19 1xsj s TRP 649 Ca 0.09 1.54 0.03 0.00 0.02 0.00 0.00 56.10 57.78 1xsj s TRP 649 Cb -0.01 -2.89 -0.02 0.00 -1.15 0.00 0.00 33.47 29.40 1xsj s TRP 649 CO -0.03 -0.46 -0.10 -1.01 0.02 0.00 0.00 176.95 175.37 1xsj s HIS 650 N -2.33 0.84 -0.18 -1.98 3.76 0.15 -4.95 115.29 110.60 1xsj s HIS 650 Ca 0.62 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 55.13 1xsj s HIS 650 Cb -0.12 -0.50 0.02 0.00 1.11 0.00 0.00 32.58 33.10 1xsj s HIS 650 CO 0.24 -0.03 -0.19 0.21 -0.85 0.00 0.00 174.74 174.12 1xsj s LYS 651 N -1.33 2.94 0.46 1.40 2.20 -1.26 -1.56 119.74 122.58 1xsj s LYS 651 Ca -0.05 -0.85 0.03 0.00 -0.36 0.00 0.00 55.97 54.74 1xsj s LYS 651 Cb -0.09 -2.57 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1xsj s LYS 651 CO 0.01 -0.23 0.05 -0.65 -0.36 0.00 0.00 175.35 174.17 1xsj s GLN 652 N 1.29 2.06 -0.03 4.03 -0.21 -0.23 -4.98 119.66 121.58 1xsj s GLN 652 Ca 0.04 -2.28 0.00 0.00 0.02 0.00 0.00 55.36 53.15 1xsj s GLN 652 Cb -0.13 -1.18 0.03 0.00 1.00 0.00 0.00 33.01 32.72 1xsj s GLN 652 CO -0.13 -0.37 0.00 -1.14 -2.12 0.00 0.00 175.29 171.53 1xsj s GLN 653 N -3.80 0.32 -0.01 2.91 0.74 -1.26 -2.18 119.66 116.38 1xsj s GLN 653 Ca 0.16 0.08 0.05 0.00 0.05 0.00 0.00 55.36 55.70 1xsj s GLN 653 Cb 0.03 -0.53 -0.01 0.00 1.10 0.00 0.00 33.01 33.60 1xsj s GLN 653 CO 0.09 -0.15 -0.15 -1.01 -0.55 0.00 0.00 175.29 173.52 1xsj s HIS 654 N 1.13 1.37 1.01 1.67 3.76 -0.67 -4.99 115.29 118.57 1xsj s HIS 654 Ca -0.08 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.40 1xsj s HIS 654 Cb -0.13 -0.88 0.21 0.00 1.11 0.00 0.00 32.58 32.88 1xsj s HIS 654 CO -0.02 -0.03 1.23 0.20 -0.85 0.00 0.00 174.74 175.27 1xsj s GLY 655 N -0.32 1.69 0.00 -2.22 0.00 -1.26 -4.24 107.32 100.96 1xsj s GLY 655 Ca 0.05 -1.01 0.10 0.00 0.00 0.00 0.00 44.72 43.87 1xsj s GLY 655 CO -0.00 -0.25 1.28 0.69 0.00 0.00 0.00 173.10 174.82 1xsj n PHE 656 N -4.02 0.00 -0.36 1.90 3.72 -1.26 -1.32 117.46 116.12 1xsj n PHE 656 Ca 0.13 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.64 1xsj n PHE 656 Cb 0.59 -0.39 0.30 0.00 -0.94 0.00 0.00 39.48 39.04 1xsj n PHE 656 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xsj n LEU 657 N -1.39 3.88 -4.02 4.37 4.32 -1.26 -4.86 117.00 118.03 1xsj n LEU 657 Ca 0.04 -2.03 -0.09 0.00 -0.02 0.00 0.00 56.01 53.91 1xsj n LEU 657 Cb 0.10 -0.46 -0.09 0.00 -1.62 0.00 0.00 43.42 41.35 1xsj n LEU 657 CO 0.09 0.95 -0.21 -0.55 -1.22 0.00 0.00 177.39 176.44 1xsj s SER 658 N -1.00 0.27 -0.07 -1.43 0.15 -0.43 -5.05 113.70 106.14 1xsj s SER 658 Ca 0.46 -0.94 -0.31 0.00 0.70 0.00 0.00 55.95 55.85 1xsj s SER 658 Cb 0.24 0.30 0.11 0.00 -1.71 0.00 0.00 66.02 64.97 1xsj s SER 658 CO 0.31 -0.72 1.03 -1.48 1.20 0.00 0.00 173.24 173.57 1xsj s LEU 659 N -2.95 -0.26 -0.27 3.45 2.34 -1.26 -4.63 118.68 115.10 1xsj s LEU 659 Ca 0.13 -0.03 -0.30 0.00 0.06 0.00 0.00 54.13 53.99 1xsj s LEU 659 Cb 0.06 1.76 -0.07 0.00 -0.56 0.00 0.00 46.19 47.38 1xsj s LEU 659 CO -0.05 -0.47 2.23 -2.65 -1.06 0.00 0.00 176.35 174.34 1xsj n PRO 660 N -0.21 1.65 -3.75 1.48 -0.02 -1.25 -4.91 135.00 127.99 1xsj n PRO 660 Ca -0.05 0.44 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 1xsj n PRO 660 Cb 0.60 -3.01 -0.14 0.00 -0.02 0.00 0.00 33.50 30.94 1xsj n PRO 660 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xsj s VAL 661 N 8.20 1.32 -0.10 -1.45 1.01 -1.26 -2.21 120.40 125.91 1xsj s VAL 661 Ca 1.04 -2.14 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1xsj s VAL 661 Cb -0.49 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1xsj s VAL 661 CO 0.39 -0.79 -0.00 -0.31 0.00 0.00 0.00 175.10 174.39 1xsj s TYR 662 N 0.84 3.13 -0.22 5.22 2.02 -0.20 -0.74 117.35 127.39 1xsj s TYR 662 Ca 0.14 0.11 -0.10 0.00 -0.37 0.00 0.00 57.07 56.86 1xsj s TYR 662 Cb -0.22 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 1xsj s TYR 662 CO -0.09 0.38 0.14 0.08 -1.57 0.00 0.00 175.55 174.49 1xsj s VAL 663 N -0.64 5.33 1.01 0.71 1.01 0.47 -0.65 120.40 127.63 1xsj s VAL 663 Ca 0.10 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1xsj s VAL 663 Cb -0.12 -3.47 0.19 0.00 0.00 0.00 0.00 36.38 32.99 1xsj s VAL 663 CO 0.02 0.38 1.08 0.00 0.00 0.00 0.00 175.10 176.59 1xsj s ARG 664 N 0.81 0.37 0.76 2.72 1.70 -0.89 -1.02 118.95 123.40 1xsj s ARG 664 Ca 0.07 0.61 -0.12 0.00 -0.47 0.00 0.00 55.73 55.83 1xsj s ARG 664 Cb -0.13 -1.72 0.05 0.00 -0.57 0.00 0.00 34.95 32.58 1xsj s ARG 664 CO 0.02 -2.80 1.14 0.16 -1.08 0.00 0.00 175.30 172.74 1xsj s ASP 665 N -3.32 4.92 -1.38 -2.89 3.84 -1.22 -4.12 116.67 112.50 1xsj s ASP 665 Ca 0.65 0.93 -0.09 0.00 -0.00 0.00 0.00 52.55 54.05 1xsj s ASP 665 Cb -0.19 -1.56 0.02 0.00 -1.38 0.00 0.00 42.92 39.81 1xsj s ASP 665 CO 0.58 -1.66 1.11 0.59 -0.00 0.00 0.00 175.17 175.80 1xsj n ASN 666 N -3.18 -5.46 -4.14 2.11 3.02 -0.70 -4.99 115.26 101.93 1xsj n ASN 666 Ca 0.08 -0.61 -0.32 0.00 -0.03 0.00 0.00 54.58 53.70 1xsj n ASN 666 Cb 0.59 -4.79 -0.16 0.00 -0.61 0.00 0.00 39.78 34.81 1xsj n ASN 666 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xsj s THR 667 N -3.33 1.93 -0.35 3.41 2.01 -1.16 -4.44 115.64 113.70 1xsj s THR 667 Ca 0.52 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 1xsj s THR 667 Cb -0.24 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.59 1xsj s THR 667 CO 0.75 0.52 0.15 -0.22 -0.69 0.00 0.00 174.62 175.13 1xsj s LEU 668 N 0.90 4.48 -0.10 4.42 2.96 -1.26 -1.07 118.68 129.01 1xsj s LEU 668 Ca -0.06 -1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 52.74 1xsj s LEU 668 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1xsj s LEU 668 CO -0.03 -0.35 0.03 -0.22 -1.32 0.00 0.00 176.35 174.46 1xsj s LEU 669 N 1.47 3.73 -0.29 -0.68 2.96 -0.32 -4.14 118.68 121.40 1xsj s LEU 669 Ca -0.00 0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 54.00 1xsj s LEU 669 Cb -0.19 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1xsj s LEU 669 CO 0.04 0.36 0.14 0.00 -1.32 0.00 0.00 176.35 175.57 1xsj s ALA 670 N -0.76 3.31 0.09 5.97 0.00 -1.26 -0.18 121.76 128.93 1xsj s ALA 670 Ca 0.12 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.86 1xsj s ALA 670 Cb -0.12 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1xsj s ALA 670 CO 0.02 -0.70 0.17 -0.51 0.00 0.00 0.00 175.76 174.74 1xsj s LEU 671 N 1.65 4.10 0.46 0.00 1.02 -0.46 -2.92 118.68 122.54 1xsj s LEU 671 Ca 0.06 0.11 0.07 0.00 0.02 0.00 0.00 54.13 54.39 1xsj s LEU 671 Cb -0.16 -2.72 -0.00 0.00 0.02 0.00 0.00 46.19 43.32 1xsj s LEU 671 CO 0.07 0.14 0.38 -0.83 0.02 0.00 0.00 176.35 176.12 1xsj s GLY 672 N -2.65 2.23 -0.09 -3.19 0.00 0.30 -0.64 107.32 103.28 1xsj s GLY 672 Ca 0.32 -1.73 0.18 0.00 0.00 0.00 0.00 44.72 43.49 1xsj s GLY 672 CO 0.25 -1.81 1.57 1.16 0.00 0.00 0.00 173.10 174.28 1xsj n ASN 673 N -1.61 4.43 -4.08 1.64 6.94 -1.26 -4.74 115.26 116.58 1xsj n ASN 673 Ca 0.02 -2.38 -0.31 0.00 -0.02 0.00 0.00 54.58 51.88 1xsj n ASN 673 Cb 0.63 -0.53 -0.16 0.00 -2.36 0.00 0.00 39.78 37.36 1xsj n ASN 673 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xsj s ASN 674 N -1.01 2.90 -0.20 0.53 3.84 -1.26 -4.99 114.94 114.76 1xsj s ASN 674 Ca 0.48 -0.56 0.16 0.00 0.21 0.00 0.00 52.86 53.14 1xsj s ASN 674 Cb 0.30 -1.33 0.58 0.00 -0.55 0.00 0.00 41.25 40.25 1xsj s ASN 674 CO 0.24 -0.01 1.48 -0.90 -2.79 0.00 0.00 177.10 175.12 1xsj n ASP 675 N 4.56 4.15 -0.02 -4.21 5.75 -1.26 -3.40 116.55 122.12 1xsj n ASP 675 Ca -0.19 -3.04 0.01 0.00 -0.01 0.00 0.00 54.79 51.56 1xsj n ASP 675 Cb 0.50 -0.57 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 1xsj n ASP 675 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xsj n GLN 676 N -0.36 1.38 -3.78 0.11 1.13 -1.26 -4.22 117.38 110.39 1xsj n GLN 676 Ca 0.23 -0.04 -0.10 0.00 -1.94 0.00 0.00 57.00 55.15 1xsj n GLN 676 Cb 0.96 -1.17 -0.07 0.00 0.11 0.00 0.00 30.24 30.07 1xsj n GLN 676 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1xsj s ARG 677 N -2.35 0.86 0.15 -1.09 1.70 -1.26 -4.72 118.95 112.23 1xsj s ARG 677 Ca -0.03 -0.72 0.13 0.00 -0.47 0.00 0.00 55.73 54.64 1xsj s ARG 677 Cb 0.03 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.69 1xsj s ARG 677 CO 0.28 -0.29 1.17 -1.00 -1.08 0.00 0.00 175.30 174.39 1xsj h PRO 678 N 2.91 0.00 -4.48 3.89 0.13 -1.88 -3.44 132.00 129.13 1xsj h PRO 678 Ca -0.33 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.08 1xsj h PRO 678 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1xsj h PRO 678 CO 0.50 0.58 -0.45 0.16 -0.23 0.00 0.00 178.00 178.56 1xsj s ASP 679 N -6.33 5.86 0.37 1.44 -4.77 -1.26 -4.88 116.67 107.10 1xsj s ASP 679 Ca 0.01 -1.17 -0.15 0.00 -3.30 0.00 0.00 52.55 47.93 1xsj s ASP 679 Cb 0.08 -2.07 0.05 0.00 -1.09 0.00 0.00 42.92 39.89 1xsj s ASP 679 CO 0.79 -0.49 0.75 -0.72 0.70 0.00 0.00 175.17 176.21 1xsj s TYR 680 N 1.56 0.15 -1.02 2.11 1.13 -1.26 -5.03 117.35 114.99 1xsj s TYR 680 Ca 0.03 -0.77 -0.22 0.00 -1.41 0.00 0.00 57.07 54.70 1xsj s TYR 680 Cb -0.21 0.74 0.06 0.00 -1.10 0.00 0.00 41.96 41.46 1xsj s TYR 680 CO 0.06 -1.49 1.42 0.08 -2.51 0.00 0.00 175.55 173.11 1xsj s VAL 681 N -2.60 4.06 0.46 -3.49 1.01 -1.26 -4.82 120.40 113.76 1xsj s VAL 681 Ca 0.16 -0.95 0.12 0.00 0.00 0.00 0.00 61.98 61.31 1xsj s VAL 681 Cb -0.05 -5.03 0.25 0.00 0.00 0.00 0.00 36.38 31.56 1xsj s VAL 681 CO 0.11 -1.88 2.08 -0.50 0.00 0.00 0.00 175.10 174.92 1xsj h TRP 682 N 9.53 0.22 -0.15 5.22 6.55 -1.97 -2.60 115.95 132.76 1xsj h TRP 682 Ca 0.21 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.05 1xsj h TRP 682 Cb 1.00 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 29.23 1xsj h TRP 682 CO 1.27 0.17 0.00 -2.39 -1.05 0.00 0.00 178.44 176.44 1xsj n HIS 683 N -4.47 0.19 -4.01 0.49 1.44 -1.26 -4.23 115.22 103.36 1xsj n HIS 683 Ca -0.00 -0.10 -0.30 0.00 -2.01 0.00 0.00 57.72 55.31 1xsj n HIS 683 Cb 0.11 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.05 1xsj n HIS 683 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1xsj s GLU 684 N -1.81 2.17 0.00 -1.40 2.02 -0.98 -1.80 118.70 116.90 1xsj s GLU 684 Ca 0.19 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.46 1xsj s GLU 684 Cb 0.10 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 32.03 1xsj s GLU 684 CO 0.15 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.49 1xsj n GLY 685 N 4.72 0.70 3.70 -1.39 0.00 -0.87 -4.70 105.19 107.34 1xsj n GLY 685 Ca -0.16 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.24 1xsj n GLY 685 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsj n THR 686 N -2.00 0.16 -3.15 2.61 -1.04 -1.26 -4.44 114.28 105.17 1xsj n THR 686 Ca 0.00 -0.04 -0.45 0.00 -2.04 0.00 0.00 64.05 61.53 1xsj n THR 686 Cb 0.00 -0.90 -0.05 0.00 -1.82 0.00 0.00 70.33 67.56 1xsj n THR 686 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xsj s ALA 687 N 3.57 3.44 0.38 2.41 0.00 0.19 -1.78 121.76 129.96 1xsj s ALA 687 Ca 1.03 -2.17 -0.24 0.00 0.00 0.00 0.00 51.96 50.58 1xsj s ALA 687 Cb -1.27 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 18.30 1xsj s ALA 687 CO 0.72 -2.23 0.99 -0.06 0.00 0.00 0.00 175.76 175.18 1xsj s PHE 688 N 2.54 3.41 -0.05 0.00 0.08 0.04 -1.35 117.98 122.65 1xsj s PHE 688 Ca 0.11 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.84 1xsj s PHE 688 Cb -0.24 -3.00 0.02 0.00 -0.57 0.00 0.00 43.02 39.23 1xsj s PHE 688 CO 0.07 -0.25 -0.02 -1.01 -0.10 0.00 0.00 175.22 173.91 1xsj s HIS 689 N -1.76 0.58 -0.15 0.36 3.76 0.75 -0.46 115.29 118.37 1xsj s HIS 689 Ca 0.56 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 55.31 1xsj s HIS 689 Cb -0.18 -0.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.87 1xsj s HIS 689 CO 0.23 -0.20 -0.03 -1.17 -0.85 0.00 0.00 174.74 172.71 1xsj s LEU 690 N 1.21 3.27 -0.15 0.89 2.96 0.15 -1.18 118.68 125.83 1xsj s LEU 690 Ca -0.07 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1xsj s LEU 690 Cb -0.14 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1xsj s LEU 690 CO -0.02 0.18 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.64 1xsj s PHE 691 N 0.31 2.71 -0.23 5.38 0.08 -0.23 -2.07 117.98 123.93 1xsj s PHE 691 Ca -0.03 -1.27 -0.00 0.00 0.12 0.00 0.00 56.93 55.74 1xsj s PHE 691 Cb -0.14 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 1xsj s PHE 691 CO 0.03 -0.58 0.17 0.09 -0.10 0.00 0.00 175.22 174.83 1xsj n ASN 692 N 4.11 -1.38 -4.67 1.36 5.03 -1.26 -2.09 115.26 116.36 1xsj n ASN 692 Ca -0.20 -0.27 -0.43 0.00 0.87 0.00 0.00 54.58 54.55 1xsj n ASN 692 Cb 0.51 -0.45 -0.02 0.00 -1.02 0.00 0.00 39.78 38.80 1xsj n ASN 692 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsj s LEU 693 N -2.76 4.24 0.28 3.41 0.20 -1.26 -1.72 118.68 121.06 1xsj s LEU 693 Ca 0.00 1.80 -0.10 0.00 0.69 0.00 0.00 54.13 56.52 1xsj s LEU 693 Cb -0.00 -3.55 -0.07 0.00 -0.43 0.00 0.00 46.19 42.14 1xsj s LEU 693 CO 0.26 -0.70 0.62 -1.10 -0.29 0.00 0.00 176.35 175.14 1xsj s GLN 694 N 2.93 3.80 -0.26 1.98 -0.21 -1.26 -4.99 119.66 121.66 1xsj s GLN 694 Ca 0.57 0.32 -0.33 0.00 0.02 0.00 0.00 55.36 55.94 1xsj s GLN 694 Cb -0.24 -2.57 -0.10 0.00 1.00 0.00 0.00 33.01 31.11 1xsj s GLN 694 CO 0.19 0.21 2.13 -3.47 -2.12 0.00 0.00 175.29 172.24 1xsj n ASP 695 N -0.51 2.73 0.00 5.90 2.03 -1.26 -1.60 116.55 123.85 1xsj n ASP 695 Ca 0.01 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1xsj n ASP 695 Cb 0.53 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 1xsj n ASP 695 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsj n GLY 696 N 5.86 0.97 3.55 0.27 0.00 0.14 -5.01 105.19 110.98 1xsj n GLY 696 Ca 0.34 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 1xsj n GLY 696 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsj s HIS 697 N -2.00 2.51 -0.07 1.61 3.76 -0.62 -4.95 115.29 115.53 1xsj s HIS 697 Ca 0.00 -0.27 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 1xsj s HIS 697 Cb 0.00 -1.14 0.02 0.00 1.11 0.00 0.00 32.58 32.57 1xsj s HIS 697 CO 0.00 0.62 -0.10 -2.00 -0.85 0.00 0.00 174.74 172.41 1xsj s GLU 698 N -3.37 1.55 -0.17 1.40 2.12 -1.26 -1.30 118.70 117.67 1xsj s GLU 698 Ca 0.29 -0.34 -0.05 0.00 0.36 0.00 0.00 54.97 55.23 1xsj s GLU 698 Cb -0.07 -1.37 -0.03 0.00 0.26 0.00 0.00 34.13 32.92 1xsj s GLU 698 CO 0.16 -0.05 -0.00 0.00 -0.54 0.00 0.00 175.26 174.83 1xsj s ALA 699 N 0.92 3.12 -0.10 6.30 0.00 -0.78 -4.99 121.76 126.23 1xsj s ALA 699 Ca -0.10 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1xsj s ALA 699 Cb -0.15 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 1xsj s ALA 699 CO 0.01 0.15 -0.17 0.08 0.00 0.00 0.00 175.76 175.82 1xsj s VAL 700 N 0.46 2.71 -0.11 0.00 1.01 -1.26 -1.74 120.40 121.47 1xsj s VAL 700 Ca -0.01 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1xsj s VAL 700 Cb -0.14 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1xsj s VAL 700 CO 0.02 0.55 -0.20 0.00 0.00 0.00 0.00 175.10 175.47 1xsj s GLU 702 N 0.66 3.37 -0.18 0.00 2.02 -1.26 -1.75 118.70 121.56 1xsj s GLU 702 Ca -0.12 -0.64 -0.16 0.00 0.02 0.00 0.00 54.97 54.07 1xsj s GLU 702 Cb -0.16 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1xsj s GLU 702 CO 0.03 -0.09 0.39 0.08 0.02 0.00 0.00 175.26 175.68 1xsj s VAL 703 N 1.19 5.21 0.24 2.63 1.01 0.00 -4.86 120.40 125.82 1xsj s VAL 703 Ca 0.02 0.71 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 1xsj s VAL 703 Cb -0.14 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1xsj s VAL 703 CO -0.02 0.28 0.52 -2.16 0.00 0.00 0.00 175.10 173.73 1xsj s PRO 704 N 1.10 3.71 0.85 2.72 0.04 -1.26 -0.55 135.00 141.60 1xsj s PRO 704 Ca 0.19 0.11 -0.13 0.00 0.04 0.00 0.00 61.00 61.22 1xsj s PRO 704 Cb -0.14 -2.68 0.11 0.00 0.04 0.00 0.00 34.50 31.83 1xsj s PRO 704 CO 0.08 0.30 1.21 0.00 0.04 0.00 0.00 177.00 178.63 1xsj s ALA 705 N -1.90 2.54 0.41 8.56 0.00 0.64 -4.72 121.76 127.30 1xsj s ALA 705 Ca 0.45 -0.78 0.17 0.00 0.00 0.00 0.00 51.96 51.79 1xsj s ALA 705 Cb -0.11 -2.92 1.06 0.00 0.00 0.00 0.00 23.12 21.15 1xsj s ALA 705 CO 0.25 -1.87 1.86 0.00 0.00 0.00 0.00 175.76 176.00 1xsj h ALA 706 N -1.21 2.17 -0.09 0.00 0.00 -1.94 0.21 119.26 118.40 1xsj h ALA 706 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xsj h ALA 706 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xsj h ALA 706 CO 0.59 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 1xsj n ASP 707 N -4.52 0.91 0.00 0.00 5.75 -1.26 -4.79 116.55 112.65 1xsj n ASP 707 Ca 0.19 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1xsj n ASP 707 Cb 0.67 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1xsj n ASP 707 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsj n GLY 708 N 0.46 2.18 3.75 6.12 0.00 0.73 -5.02 105.19 113.40 1xsj n GLY 708 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1xsj n GLY 708 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsj s SER 709 N -3.50 4.12 -0.26 1.61 1.04 -1.26 -4.68 113.70 110.77 1xsj s SER 709 Ca 0.00 1.76 -0.27 0.00 0.48 0.00 0.00 55.95 57.92 1xsj s SER 709 Cb 0.00 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1xsj s SER 709 CO 0.00 -2.27 0.94 -0.69 0.98 0.00 0.00 173.24 172.20 1xsj s VAL 710 N -2.89 4.72 -0.17 5.02 1.01 -1.26 -0.26 120.40 126.57 1xsj s VAL 710 Ca 0.62 1.72 -0.13 0.00 0.00 0.00 0.00 61.98 64.19 1xsj s VAL 710 Cb -0.18 -4.24 -0.22 0.00 0.00 0.00 0.00 36.38 31.74 1xsj s VAL 710 CO 0.56 -0.19 0.25 0.00 0.00 0.00 0.00 175.10 175.72 1xsj n ILE 711 N 5.40 1.66 -3.98 2.22 3.06 0.29 -4.85 119.36 123.16 1xsj n ILE 711 Ca 0.09 -0.38 -0.17 0.00 -2.50 0.00 0.00 62.75 59.78 1xsj n ILE 711 Cb 0.47 -1.86 -0.16 0.00 0.54 0.00 0.00 39.64 38.63 1xsj n ILE 711 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 1xsj s PHE 712 N -2.47 0.39 -0.10 9.51 5.36 -1.09 -1.85 117.98 127.72 1xsj s PHE 712 Ca -0.26 -0.04 -0.01 0.00 -0.96 0.00 0.00 56.93 55.66 1xsj s PHE 712 Cb 0.07 -0.43 -0.03 0.00 -0.34 0.00 0.00 43.02 42.28 1xsj s PHE 712 CO 0.68 -0.13 -0.05 0.99 -1.46 0.00 0.00 175.22 175.25 1xsj s THR 713 N 0.91 3.88 -0.07 0.12 2.01 0.58 -0.82 115.64 122.25 1xsj s THR 713 Ca -0.10 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1xsj s THR 713 Cb -0.13 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.77 1xsj s THR 713 CO -0.01 0.57 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.18 1xsj s LEU 714 N -0.43 1.44 -0.03 4.42 0.20 -0.72 -0.46 118.68 123.11 1xsj s LEU 714 Ca 0.07 -0.24 0.07 0.00 0.69 0.00 0.00 54.13 54.72 1xsj s LEU 714 Cb -0.12 -0.71 -0.02 0.00 -0.43 0.00 0.00 46.19 44.92 1xsj s LEU 714 CO 0.02 -0.02 -0.24 -0.54 -0.29 0.00 0.00 176.35 175.28 1xsj s LYS 715 N 0.95 2.06 -0.25 1.98 1.02 0.11 -1.08 119.74 124.53 1xsj s LYS 715 Ca -0.10 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.06 1xsj s LYS 715 Cb -0.15 -1.92 0.05 0.00 -0.52 0.00 0.00 37.83 35.29 1xsj s LYS 715 CO 0.00 0.47 -0.12 0.00 -0.92 0.00 0.00 175.35 174.79 1xsj s ALA 716 N -0.45 2.55 -0.15 5.17 0.00 -0.71 -0.70 121.76 127.48 1xsj s ALA 716 Ca 0.06 -1.70 -0.05 0.00 0.00 0.00 0.00 51.96 50.27 1xsj s ALA 716 Cb -0.10 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1xsj s ALA 716 CO 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 175.76 174.67 1xsj s ALA 717 N 1.13 3.21 -0.29 0.00 0.00 -0.46 -1.87 121.76 123.48 1xsj s ALA 717 Ca -0.07 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1xsj s ALA 717 Cb -0.19 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1xsj s ALA 717 CO -0.06 0.27 0.07 0.50 0.00 0.00 0.00 175.76 176.54 1xsj s ARG 718 N 0.14 3.13 -0.27 0.00 3.52 -0.42 -0.10 118.95 124.96 1xsj s ARG 718 Ca 0.01 -0.83 -0.14 0.00 -0.13 0.00 0.00 55.73 54.65 1xsj s ARG 718 Cb -0.13 -3.35 -0.13 0.00 -1.56 0.00 0.00 34.95 29.78 1xsj s ARG 718 CO 0.02 -0.42 -0.26 -2.37 -0.81 0.00 0.00 175.30 171.45 1xsj n THR 719 N 4.86 1.53 0.00 4.11 5.66 -0.77 0.29 114.28 129.96 1xsj n THR 719 Ca -0.15 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 1xsj n THR 719 Cb 0.48 -1.87 0.00 0.00 -1.55 0.00 0.00 70.33 67.39 1xsj n THR 719 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsj n GLY 720 N 1.35 1.12 1.00 1.09 0.00 -1.26 -4.48 105.19 104.01 1xsj n GLY 720 Ca -0.51 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1xsj n GLY 720 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsj n ASN 721 N 0.00 4.02 -4.29 1.61 4.13 -1.26 -4.78 115.26 114.69 1xsj n ASN 721 Ca 0.00 -2.86 -0.38 0.00 1.68 0.00 0.00 54.58 53.02 1xsj n ASN 721 Cb 0.00 -0.52 -0.12 0.00 -1.54 0.00 0.00 39.78 37.60 1xsj n ASN 721 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xsj s THR 722 N -2.55 3.96 -0.33 3.41 2.01 -1.26 -1.09 115.64 119.79 1xsj s THR 722 Ca 0.42 -1.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.13 1xsj s THR 722 Cb 0.32 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1xsj s THR 722 CO 0.11 -0.25 0.30 0.27 -0.69 0.00 0.00 174.62 174.37 1xsj s ILE 723 N 1.42 5.22 -0.31 1.82 -4.36 0.51 -1.85 121.20 123.66 1xsj s ILE 723 Ca -0.00 0.04 -0.18 0.00 -0.26 0.00 0.00 60.65 60.25 1xsj s ILE 723 Cb -0.20 -3.74 -0.01 0.00 1.25 0.00 0.00 42.46 39.76 1xsj s ILE 723 CO 0.03 0.01 0.53 -0.89 0.24 0.00 0.00 174.94 174.86 1xsj s THR 724 N 1.90 5.02 -0.36 8.37 2.01 0.86 -0.93 115.64 132.51 1xsj s THR 724 Ca 0.10 0.61 -0.12 0.00 0.31 0.00 0.00 61.69 62.59 1xsj s THR 724 Cb -0.17 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1xsj s THR 724 CO 0.11 -0.10 0.22 -0.69 -0.69 0.00 0.00 174.62 173.47 1xsj s VAL 725 N 2.40 4.78 0.02 3.82 1.01 -0.87 -1.35 120.40 130.22 1xsj s VAL 725 Ca 0.21 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1xsj s VAL 725 Cb -0.15 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1xsj s VAL 725 CO 0.12 -0.16 -0.20 0.42 0.00 0.00 0.00 175.10 175.28 1xsj s THR 726 N 1.61 1.59 0.21 3.92 -4.23 0.13 -2.13 115.64 116.73 1xsj s THR 726 Ca 0.04 -1.06 0.08 0.00 -1.18 0.00 0.00 61.69 59.57 1xsj s THR 726 Cb -0.18 -1.36 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 1xsj s THR 726 CO 0.08 0.27 -0.14 -0.83 -0.54 0.00 0.00 174.62 173.46 1xsj s GLY 727 N -0.92 1.48 -0.25 3.99 0.00 -1.02 0.06 107.32 110.66 1xsj s GLY 727 Ca 0.07 -1.69 -0.13 0.00 0.00 0.00 0.00 44.72 42.97 1xsj s GLY 727 CO 0.01 -1.77 0.59 0.00 0.00 0.00 0.00 173.10 171.93 1xsj s ALA 728 N -2.97 -1.64 0.00 3.20 0.00 0.39 -4.93 121.76 115.82 1xsj s ALA 728 Ca 0.23 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.32 1xsj s ALA 728 Cb -0.00 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1xsj s ALA 728 CO 0.08 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1xsj n GLY 729 N 4.57 0.09 3.33 0.00 0.00 -1.26 -0.31 105.19 111.61 1xsj n GLY 729 Ca -0.19 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.41 1xsj n GLY 729 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsj s GLU 730 N 0.00 3.25 -0.09 1.61 2.12 -0.77 -4.95 118.70 119.87 1xsj s GLU 730 Ca 0.00 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.30 1xsj s GLU 730 Cb 0.00 -3.20 0.07 0.00 0.26 0.00 0.00 34.13 31.26 1xsj s GLU 730 CO 0.00 -0.32 0.71 0.00 -0.54 0.00 0.00 175.26 175.11 1xsj s ALA 731 N 1.49 -1.78 0.01 6.30 0.00 -1.26 -4.26 121.76 122.25 1xsj s ALA 731 Ca 0.04 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1xsj s ALA 731 Cb -0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1xsj s ALA 731 CO 0.00 -0.36 -0.04 0.15 0.00 0.00 0.00 175.76 175.51 1xsj s LYS 732 N -0.93 0.33 -1.15 0.00 1.02 -0.74 -4.88 119.74 113.38 1xsj s LYS 732 Ca -0.09 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 1xsj s LYS 732 Cb -0.01 -0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.06 1xsj s LYS 732 CO 0.08 0.06 0.28 -1.71 -0.92 0.00 0.00 175.35 173.14 1xsj n ASN 733 N 2.57 -4.68 -4.93 2.83 2.85 -1.26 -2.05 115.26 110.59 1xsj n ASN 733 Ca -0.16 -0.14 -0.24 0.00 -0.11 0.00 0.00 54.58 53.93 1xsj n ASN 733 Cb 0.58 -3.64 0.06 0.00 1.24 0.00 0.00 39.78 38.02 1xsj n ASN 733 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1xsj s TRP 734 N -2.90 2.86 0.01 1.20 1.48 -1.26 -3.86 118.94 116.47 1xsj s TRP 734 Ca 0.14 0.29 -0.05 0.00 -1.06 0.00 0.00 56.10 55.42 1xsj s TRP 734 Cb -0.06 -3.07 -0.01 0.00 -1.16 0.00 0.00 33.47 29.17 1xsj s TRP 734 CO 0.17 -1.26 0.08 0.99 -4.06 0.00 0.00 176.95 172.87 1xsj s THR 735 N -3.10 0.10 -0.11 0.66 2.01 -0.74 -4.48 115.64 109.98 1xsj s THR 735 Ca 0.59 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1xsj s THR 735 Cb -0.10 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 71.96 1xsj s THR 735 CO 0.43 -0.46 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.57 1xsj s LEU 736 N -1.54 1.45 -0.16 4.42 1.98 -0.20 -0.78 118.68 123.85 1xsj s LEU 736 Ca -0.13 -0.35 -0.04 0.00 -2.89 0.00 0.00 54.13 50.72 1xsj s LEU 736 Cb -0.07 -0.93 -0.02 0.00 0.66 0.00 0.00 46.19 45.82 1xsj s LEU 736 CO -0.00 -0.06 -0.04 0.00 -1.89 0.00 0.00 176.35 174.36 1xsj s LEU 738 N 0.55 6.35 0.29 0.00 1.43 0.63 -0.68 118.68 127.26 1xsj s LEU 738 Ca -0.03 -2.21 -0.30 0.00 -1.03 0.00 0.00 54.13 50.56 1xsj s LEU 738 Cb -0.14 -2.18 -0.11 0.00 0.03 0.00 0.00 46.19 43.78 1xsj s LEU 738 CO 0.03 -0.71 1.54 -0.13 0.23 0.00 0.00 176.35 177.31 1xsj s ARG 739 N 0.94 4.16 -1.89 1.70 1.81 -0.88 -1.97 118.95 122.82 1xsj s ARG 739 Ca 0.10 2.51 0.00 0.00 -1.72 0.00 0.00 55.73 56.62 1xsj s ARG 739 Cb -0.21 -3.04 0.00 0.00 -0.45 0.00 0.00 34.95 31.25 1xsj s ARG 739 CO -0.02 -0.57 0.00 0.09 -0.68 0.00 0.00 175.30 174.12 1xsj n ASN 740 N 2.00 -5.53 -4.06 0.23 3.02 -0.38 -4.76 115.26 105.78 1xsj n ASN 740 Ca 0.07 0.22 -0.32 0.00 -0.03 0.00 0.00 54.58 54.52 1xsj n ASN 740 Cb 0.38 -4.66 -0.15 0.00 -0.61 0.00 0.00 39.78 34.75 1xsj n ASN 740 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xsj s VAL 741 N -2.87 2.36 0.06 2.41 1.01 -0.83 -5.01 120.40 117.53 1xsj s VAL 741 Ca 0.00 -1.92 0.03 0.00 0.00 0.00 0.00 61.98 60.09 1xsj s VAL 741 Cb 0.00 -2.55 -0.24 0.00 0.00 0.00 0.00 36.38 33.59 1xsj s VAL 741 CO 0.00 -0.31 1.07 -0.37 0.00 0.00 0.00 175.10 175.50 1xsj h VAL 742 N 6.65 1.43 -3.43 2.92 -1.51 -1.93 0.18 116.25 120.56 1xsj h VAL 742 Ca -0.13 -3.11 -0.19 0.00 -1.23 0.00 0.00 66.70 62.04 1xsj h VAL 742 Cb 1.03 2.79 -0.26 0.00 -2.13 0.00 0.00 31.29 32.72 1xsj h VAL 742 CO 0.51 0.86 -0.57 -0.75 -1.23 0.00 0.00 177.57 176.39 1xsj s LYS 743 N -2.66 0.17 0.44 5.19 2.20 -1.26 -4.71 119.74 119.10 1xsj s LYS 743 Ca -0.03 0.14 0.06 0.00 -0.36 0.00 0.00 55.97 55.78 1xsj s LYS 743 Cb 0.08 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 1xsj s LYS 743 CO 0.84 -0.02 0.16 0.54 -0.36 0.00 0.00 175.35 176.51 1xsj s VAL 744 N -0.02 2.07 0.00 4.02 0.11 -1.26 -4.42 120.40 120.90 1xsj s VAL 744 Ca -0.01 -1.74 0.00 0.00 -2.93 0.00 0.00 61.98 57.30 1xsj s VAL 744 Cb -0.01 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 1xsj s VAL 744 CO 0.00 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.57 1xsj n ASN 745 N -1.26 0.00 -4.59 3.54 5.15 0.47 -4.71 115.26 113.86 1xsj n ASN 745 Ca -0.04 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.57 1xsj n ASN 745 Cb 0.65 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.79 1xsj n ASN 745 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1xsj s GLY 746 N -0.36 1.92 -0.38 8.20 0.00 -0.72 -4.93 107.32 111.05 1xsj s GLY 746 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1xsj s GLY 746 CO 0.00 0.50 0.15 -2.27 0.00 0.00 0.00 173.10 171.48 1xsj s LEU 747 N 1.40 4.81 -0.27 0.66 0.20 -1.26 0.88 118.68 125.09 1xsj s LEU 747 Ca 0.07 -1.69 -0.28 0.00 0.69 0.00 0.00 54.13 52.92 1xsj s LEU 747 Cb -0.15 -1.82 0.01 0.00 -0.43 0.00 0.00 46.19 43.80 1xsj s LEU 747 CO 0.07 -0.45 1.02 -1.10 -0.29 0.00 0.00 176.35 175.60 1xsj s GLN 748 N 1.23 4.16 -0.03 1.98 -0.21 -0.36 -4.66 119.66 121.76 1xsj s GLN 748 Ca 0.03 1.16 -0.02 0.00 0.02 0.00 0.00 55.36 56.56 1xsj s GLN 748 Cb -0.22 -3.68 0.01 0.00 1.00 0.00 0.00 33.01 30.11 1xsj s GLN 748 CO -0.02 -0.73 0.03 -0.40 -2.12 0.00 0.00 175.29 172.05 1xsj n ASP 749 N 6.51 -6.61 0.00 5.90 5.68 -1.26 -3.36 116.55 123.41 1xsj n ASP 749 Ca 0.11 0.99 0.00 0.00 -0.50 0.00 0.00 54.79 55.39 1xsj n ASP 749 Cb 0.47 -2.08 0.00 0.00 -1.14 0.00 0.00 41.12 38.36 1xsj n ASP 749 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsj n GLY 750 N 2.34 4.75 1.00 6.12 0.00 -1.26 -3.66 105.19 114.48 1xsj n GLY 750 Ca -0.06 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 1xsj n GLY 750 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsj n SER 751 N 0.00 -0.83 -3.66 1.61 3.41 -0.59 -4.75 113.62 108.81 1xsj n SER 751 Ca 0.00 -0.84 -0.13 0.00 -0.26 0.00 0.00 58.87 57.64 1xsj n SER 751 Cb 0.00 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 1xsj n SER 751 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xsj s GLN 752 N -3.72 0.93 0.09 4.33 -2.07 -1.26 -2.31 119.66 115.64 1xsj s GLN 752 Ca 0.20 -0.37 -0.01 0.00 -1.82 0.00 0.00 55.36 53.35 1xsj s GLN 752 Cb -0.01 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.28 1xsj s GLN 752 CO 0.15 -0.32 0.02 0.00 -1.32 0.00 0.00 175.29 173.82 1xsj s ALA 753 N -2.54 0.63 -0.12 2.60 0.00 -0.65 -5.02 121.76 116.67 1xsj s ALA 753 Ca -0.05 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 1xsj s ALA 753 Cb -0.01 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1xsj s ALA 753 CO -0.03 -0.43 0.44 -1.21 0.00 0.00 0.00 175.76 174.53 1xsj s GLU 754 N -3.98 4.31 0.18 0.00 2.02 -1.26 -2.55 118.70 117.42 1xsj s GLU 754 Ca 0.15 0.38 0.08 0.00 0.02 0.00 0.00 54.97 55.60 1xsj s GLU 754 Cb 0.08 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1xsj s GLU 754 CO -0.05 0.19 -0.17 -1.54 0.02 0.00 0.00 175.26 173.72 1xsj s SER 755 N 0.54 2.63 0.40 -0.19 1.04 -1.07 -4.92 113.70 112.13 1xsj s SER 755 Ca 0.24 -0.92 0.27 0.00 0.48 0.00 0.00 55.95 56.03 1xsj s SER 755 Cb -0.15 -0.15 1.46 0.00 0.10 0.00 0.00 66.02 67.28 1xsj s SER 755 CO 0.09 -0.08 1.84 -0.08 0.98 0.00 0.00 173.24 175.98 1xsj h GLU 756 N 3.00 0.00 0.00 4.02 4.22 -2.01 0.43 114.58 124.24 1xsj h GLU 756 Ca -0.41 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.03 1xsj h GLU 756 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1xsj h GLU 756 CO 0.55 0.00 -1.28 1.04 -2.18 0.00 0.00 179.01 177.14 1xsj n GLN 757 N -2.46 0.27 0.00 1.92 6.02 -1.26 -4.98 117.38 116.89 1xsj n GLN 757 Ca -0.02 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1xsj n GLN 757 Cb 0.06 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.78 1xsj n GLN 757 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsj n GLY 758 N 1.39 0.97 3.65 1.08 0.00 0.14 -1.25 105.19 111.17 1xsj n GLY 758 Ca 0.01 -2.05 -0.44 0.00 0.00 0.00 0.00 46.02 43.54 1xsj n GLY 758 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsj n LEU 759 N 0.00 3.81 -4.65 0.99 7.94 0.64 -2.59 117.00 123.13 1xsj n LEU 759 Ca 0.00 0.79 -0.39 0.00 -1.11 0.00 0.00 56.01 55.30 1xsj n LEU 759 Cb 0.00 -1.49 -0.08 0.00 0.53 0.00 0.00 43.42 42.38 1xsj n LEU 759 CO 0.00 -0.02 0.14 -0.69 -1.11 0.00 0.00 177.39 175.71 1xsj s VAL 760 N 5.09 5.16 -0.08 1.96 1.01 -1.06 -0.27 120.40 132.21 1xsj s VAL 760 Ca 0.92 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1xsj s VAL 760 Cb -0.49 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1xsj s VAL 760 CO 0.43 0.20 -0.07 -0.69 0.00 0.00 0.00 175.10 174.97 1xsj s VAL 761 N 1.65 3.69 -0.14 2.92 1.01 0.23 -1.63 120.40 128.11 1xsj s VAL 761 Ca 0.19 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1xsj s VAL 761 Cb -0.15 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1xsj s VAL 761 CO 0.09 0.58 -0.19 -0.75 0.00 0.00 0.00 175.10 174.83 1xsj s LYS 762 N -0.62 3.11 0.79 2.72 2.20 -0.98 -1.03 119.74 125.94 1xsj s LYS 762 Ca 0.09 -0.81 -0.12 0.00 -0.36 0.00 0.00 55.97 54.78 1xsj s LYS 762 Cb -0.12 -2.50 0.07 0.00 -1.51 0.00 0.00 37.83 33.78 1xsj s LYS 762 CO 0.02 0.02 1.16 -1.25 -0.36 0.00 0.00 175.35 174.94 1xsj s PRO 763 N 0.76 2.05 -0.47 4.03 0.04 -1.26 -1.55 135.00 138.60 1xsj s PRO 763 Ca -0.07 0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.11 1xsj s PRO 763 Cb -0.16 -1.97 0.52 0.00 0.04 0.00 0.00 34.50 32.93 1xsj s PRO 763 CO -0.00 -1.52 1.74 1.04 0.04 0.00 0.00 177.00 178.30 1xsj n GLN 764 N -3.26 2.55 0.00 4.56 1.13 -1.24 -4.77 117.38 116.35 1xsj n GLN 764 Ca 0.08 -3.35 0.00 0.00 -1.94 0.00 0.00 57.00 51.79 1xsj n GLN 764 Cb 0.61 -2.16 0.00 0.00 0.11 0.00 0.00 30.24 28.80 1xsj n GLN 764 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xsj n GLY 765 N -0.99 2.15 2.35 1.08 0.00 -1.26 -4.89 105.19 103.64 1xsj n GLY 765 Ca 0.53 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 1xsj n GLY 765 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xsj n ASN 766 N 0.00 7.14 -2.93 1.61 0.23 -1.26 -4.52 115.26 115.54 1xsj n ASN 766 Ca 0.00 -2.92 -0.13 0.00 -0.53 0.00 0.00 54.58 51.01 1xsj n ASN 766 Cb 0.00 -1.37 -0.00 0.00 -2.08 0.00 0.00 39.78 36.32 1xsj n ASN 766 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsj n ALA 767 N 1.98 -0.21 -2.53 -2.53 0.00 -1.26 -2.42 120.51 113.54 1xsj n ALA 767 Ca 0.58 -1.92 -0.26 0.00 0.00 0.00 0.00 53.44 51.84 1xsj n ALA 767 Cb 0.47 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 1xsj n ALA 767 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1xsj s LEU 768 N -0.28 2.05 -0.01 0.00 0.05 -0.91 -4.92 118.68 114.67 1xsj s LEU 768 Ca 0.32 -1.62 -0.22 0.00 0.05 0.00 0.00 54.13 52.66 1xsj s LEU 768 Cb 0.13 -0.22 0.05 0.00 -2.05 0.00 0.00 46.19 44.10 1xsj s LEU 768 CO -0.16 -0.87 0.49 0.42 -0.55 0.00 0.00 176.35 175.68 1xsj s THR 769 N -3.19 0.03 0.03 5.48 -4.23 -1.21 -2.04 115.64 110.50 1xsj s THR 769 Ca 0.24 -0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.54 1xsj s THR 769 Cb 0.04 -0.86 -0.02 0.00 1.34 0.00 0.00 72.50 73.00 1xsj s THR 769 CO 0.14 -0.14 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.30 1xsj s ILE 770 N -1.61 1.12 -0.11 2.99 1.01 -0.10 -1.23 121.20 123.27 1xsj s ILE 770 Ca -0.10 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.62 1xsj s ILE 770 Cb -0.02 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.46 1xsj s ILE 770 CO 0.05 0.05 -0.17 -0.89 0.00 0.00 0.00 174.94 173.97 1xsj s THR 771 N -0.78 1.66 0.32 2.92 2.01 0.25 -0.37 115.64 121.66 1xsj s THR 771 Ca 0.02 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 1xsj s THR 771 Cb -0.08 -1.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.89 1xsj s THR 771 CO 0.01 0.47 0.62 -0.76 -0.69 0.00 0.00 174.62 174.27 1xsj s LEU 772 N 0.87 4.00 0.00 4.42 1.43 -0.25 -0.39 118.68 128.76 1xsj s LEU 772 Ca -0.08 0.86 0.14 0.00 -1.03 0.00 0.00 54.13 54.01 1xsj s LEU 772 Cb -0.15 -3.69 0.82 0.00 0.03 0.00 0.00 46.19 43.20 1xsj s LEU 772 CO -0.00 -0.24 1.24 0.00 0.23 0.00 0.00 176.35 177.57