#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 4.25 -0.05 2.12 -0.14 -1.26 -4.90 119.74 119.76 1xsj s LYS 2 Ca 0.00 1.77 -0.07 0.00 -1.36 0.00 0.00 55.97 56.31 1xsj s LYS 2 Cb 0.00 -3.75 -0.03 0.00 -1.68 0.00 0.00 37.83 32.36 1xsj s LYS 2 CO 0.00 -0.68 -0.16 -0.89 -0.76 0.00 0.00 175.35 172.86 1xsj n ILE 3 N 5.22 1.14 -1.70 2.17 5.41 -1.26 -4.88 119.36 125.46 1xsj n ILE 3 Ca 0.14 0.14 -0.31 0.00 1.00 0.00 0.00 62.75 63.72 1xsj n ILE 3 Cb 0.45 -1.84 0.03 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 -6.01 5.70 -0.68 4.38 1.04 -1.26 -1.41 113.70 115.46 1xsj s SER 4 Ca -0.14 1.51 0.05 0.00 0.48 0.00 0.00 55.95 57.85 1xsj s SER 4 Cb 0.03 -2.46 0.18 0.00 0.10 0.00 0.00 66.02 63.88 1xsj s SER 4 CO 0.20 -1.22 0.53 -0.67 0.98 0.00 0.00 173.24 173.06 1xsj n ASP 5 N -2.98 2.96 -0.25 7.02 2.03 0.29 -4.36 116.55 121.26 1xsj n ASP 5 Ca 0.07 -3.21 0.01 0.00 0.52 0.00 0.00 54.79 52.18 1xsj n ASP 5 Cb 0.54 -0.73 -0.00 0.00 -0.72 0.00 0.00 41.12 40.20 1xsj n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsj n GLY 6 N 1.80 -1.94 0.27 0.27 0.00 -1.26 -3.15 105.19 101.18 1xsj n GLY 6 Ca 0.22 -1.36 0.02 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.08 0.38 0.13 1.61 -1.24 -1.95 -3.33 115.58 111.09 1xsj h ASN 7 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1xsj h ASN 7 Cb 0.08 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1xsj h ASN 7 CO 0.00 0.40 -1.76 0.79 -1.29 0.00 0.00 177.43 175.58 1xsj n TRP 8 N -4.36 0.12 -4.53 0.67 7.02 -1.26 -5.02 117.44 110.07 1xsj n TRP 8 Ca 0.01 0.03 -0.25 0.00 -1.02 0.00 0.00 57.50 56.27 1xsj n TRP 8 Cb 0.18 -0.50 -0.09 0.00 -2.42 0.00 0.00 31.31 28.48 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 2.15 0.10 -0.99 1.43 -1.19 -5.03 118.68 110.71 1xsj s LEU 9 Ca -0.05 -1.54 0.09 0.00 -1.03 0.00 0.00 54.13 51.59 1xsj s LEU 9 Cb 0.14 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 45.98 1xsj s LEU 9 CO 0.89 -0.77 -0.22 -0.63 0.23 0.00 0.00 176.35 175.84 1xsj s ILE 10 N -3.17 1.83 0.31 -0.59 1.01 -1.26 -0.54 121.20 118.78 1xsj s ILE 10 Ca 0.27 -1.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.09 1xsj s ILE 10 Cb 0.05 -1.64 -0.13 0.00 0.01 0.00 0.00 42.46 40.76 1xsj s ILE 10 CO 0.13 0.02 1.34 0.00 0.00 0.00 0.00 174.94 176.43 1xsj n GLN 11 N 1.17 2.13 -1.81 2.79 1.13 -0.50 -4.50 117.38 117.78 1xsj n GLN 11 Ca -0.19 0.75 -0.41 0.00 -1.94 0.00 0.00 57.00 55.21 1xsj n GLN 11 Cb 0.53 -2.36 -0.00 0.00 0.11 0.00 0.00 30.24 28.52 1xsj n GLN 11 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1xsj s PRO 12 N -1.38 4.12 0.00 -1.09 0.02 -1.26 -2.15 135.00 133.26 1xsj s PRO 12 Ca 0.59 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.17 1xsj s PRO 12 Cb -0.59 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 30.95 1xsj s PRO 12 CO 0.58 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 177.13 1xsj n GLY 13 N 0.73 1.47 3.76 0.52 0.00 -1.26 -4.91 105.19 105.51 1xsj n GLY 13 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 4.30 -0.21 0.99 1.43 -0.91 -1.20 118.68 123.08 1xsj s LEU 14 Ca 0.00 0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 1xsj s LEU 14 Cb 0.00 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1xsj s LEU 14 CO 0.00 0.15 -0.04 0.20 0.23 0.00 0.00 176.35 176.90 1xsj s ASN 15 N 0.07 4.40 -0.04 2.29 0.02 -0.46 -4.89 114.94 116.33 1xsj s ASN 15 Ca 0.19 -0.35 -0.00 0.00 -1.02 0.00 0.00 52.86 51.68 1xsj s ASN 15 Cb -0.14 -1.75 -0.03 0.00 0.02 0.00 0.00 41.25 39.35 1xsj s ASN 15 CO 0.07 0.01 0.00 -0.76 0.02 0.00 0.00 177.10 176.44 1xsj s LEU 16 N 1.32 3.55 0.07 0.60 1.43 -1.26 -0.78 118.68 123.62 1xsj s LEU 16 Ca 0.04 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1xsj s LEU 16 Cb -0.14 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1xsj s LEU 16 CO -0.02 0.33 -0.14 0.27 0.23 0.00 0.00 176.35 177.02 1xsj s ILE 17 N -0.99 1.09 0.02 -0.59 -4.36 -0.98 -5.01 121.20 110.39 1xsj s ILE 17 Ca 0.17 -1.32 0.01 0.00 -0.26 0.00 0.00 60.65 59.25 1xsj s ILE 17 Cb -0.11 -1.07 -0.02 0.00 1.25 0.00 0.00 42.46 42.51 1xsj s ILE 17 CO 0.06 -0.25 -0.05 -1.00 0.24 0.00 0.00 174.94 173.95 1xsj s HIS 18 N -1.33 0.44 -0.30 1.37 3.76 -1.26 -1.43 115.29 116.53 1xsj s HIS 18 Ca -0.02 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 1xsj s HIS 18 Cb -0.10 -0.28 -0.02 0.00 1.11 0.00 0.00 32.58 33.30 1xsj s HIS 18 CO 0.02 -0.09 1.74 -1.25 -0.85 0.00 0.00 174.74 174.30 1xsj s PRO 19 N -1.13 3.48 -0.01 8.40 0.04 -1.26 -3.76 135.00 140.75 1xsj s PRO 19 Ca -0.09 1.48 0.06 0.00 0.04 0.00 0.00 61.00 62.50 1xsj s PRO 19 Cb -0.08 -4.15 -0.10 0.00 0.04 0.00 0.00 34.50 30.22 1xsj s PRO 19 CO -0.00 -1.69 0.16 1.28 0.04 0.00 0.00 177.00 176.79 1xsj n LEU 20 N 9.71 0.04 -3.71 -3.56 4.77 -0.25 -4.62 117.00 119.37 1xsj n LEU 20 Ca 0.22 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 1xsj n LEU 20 Cb 0.46 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1xsj n LEU 20 CO 0.68 0.01 -0.02 -1.58 -1.33 0.00 0.00 177.39 175.14 1xsj s GLN 21 N -2.34 0.31 0.03 3.23 0.74 -0.96 -4.19 119.66 116.47 1xsj s GLN 21 Ca -0.02 0.68 -0.30 0.00 0.05 0.00 0.00 55.36 55.77 1xsj s GLN 21 Cb 0.04 -0.06 -0.07 0.00 1.10 0.00 0.00 33.01 34.01 1xsj s GLN 21 CO 0.27 -0.16 1.64 0.08 -0.55 0.00 0.00 175.29 176.57 1xsj s VAL 22 N 1.35 3.26 -0.24 1.34 1.01 -1.26 -1.50 120.40 124.36 1xsj s VAL 22 Ca -0.09 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 1xsj s VAL 22 Cb -0.09 -3.38 -0.17 0.00 0.00 0.00 0.00 36.38 32.74 1xsj s VAL 22 CO -0.11 -0.02 -0.14 0.33 0.00 0.00 0.00 175.10 175.16 1xsj n PHE 23 N 6.11 0.30 -3.69 5.22 7.35 0.33 -4.70 117.46 128.38 1xsj n PHE 23 Ca 0.16 0.09 -0.15 0.00 -0.76 0.00 0.00 57.45 56.80 1xsj n PHE 23 Cb 0.41 -1.04 -0.08 0.00 0.35 0.00 0.00 39.48 39.13 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 -2.50 0.75 -0.02 -4.13 2.12 -1.14 -5.01 118.70 108.77 1xsj s GLU 24 Ca -0.34 0.11 0.07 0.00 0.36 0.00 0.00 54.97 55.17 1xsj s GLU 24 Cb 0.10 0.34 -0.02 0.00 0.26 0.00 0.00 34.13 34.82 1xsj s GLU 24 CO 0.59 -0.20 -0.22 0.08 -0.54 0.00 0.00 175.26 174.97 1xsj s VAL 25 N -0.95 1.76 -0.07 3.70 1.01 -1.26 -0.85 120.40 123.73 1xsj s VAL 25 Ca -0.10 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 1xsj s VAL 25 Cb -0.03 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.90 1xsj s VAL 25 CO 0.05 0.50 0.19 -1.83 0.00 0.00 0.00 175.10 174.01 1xsj s GLU 26 N -0.51 0.22 -0.23 2.72 -1.05 -0.26 -5.00 118.70 114.59 1xsj s GLU 26 Ca 0.08 0.28 -0.15 0.00 -0.15 0.00 0.00 54.97 55.03 1xsj s GLU 26 Cb -0.09 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.66 1xsj s GLU 26 CO -0.01 -0.03 0.37 -1.14 0.95 0.00 0.00 175.26 175.40 1xsj s GLN 27 N 0.15 4.11 -0.51 -4.83 0.74 -1.26 -0.68 119.66 117.38 1xsj s GLN 27 Ca -0.00 0.11 -0.01 0.00 0.05 0.00 0.00 55.36 55.50 1xsj s GLN 27 Cb -0.02 -3.57 0.13 0.00 1.10 0.00 0.00 33.01 30.65 1xsj s GLN 27 CO -0.00 -0.11 0.29 -0.65 -0.55 0.00 0.00 175.29 174.27 1xsj s GLN 28 N 1.53 2.16 6.20 1.67 -0.21 0.30 -4.99 119.66 126.33 1xsj s GLN 28 Ca 0.17 -2.25 0.00 0.00 0.02 0.00 0.00 55.36 53.29 1xsj s GLN 28 Cb -0.15 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.31 1xsj s GLN 28 CO 0.08 -1.10 0.00 -3.47 -2.12 0.00 0.00 175.29 168.68 1xsj n ASP 29 N 3.85 0.00 -1.46 5.90 4.64 -1.26 -1.61 116.55 126.60 1xsj n ASP 29 Ca 0.04 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.43 1xsj n ASP 29 Cb 0.38 0.00 0.26 0.00 -1.04 0.00 0.00 41.12 40.72 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 11.65 3.88 -4.26 1.67 6.94 -1.26 -4.94 115.26 128.93 1xsj n ASN 30 Ca 0.00 -3.33 -0.22 0.00 -0.02 0.00 0.00 54.58 51.02 1xsj n ASN 30 Cb 0.00 -0.66 -0.12 0.00 -2.36 0.00 0.00 39.78 36.64 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 -3.03 1.07 -0.11 -3.83 2.02 -0.63 -4.68 118.70 109.50 1xsj s GLU 31 Ca 0.49 -1.17 0.02 0.00 0.02 0.00 0.00 54.97 54.33 1xsj s GLU 31 Cb 0.40 -1.19 0.01 0.00 0.10 0.00 0.00 34.13 33.45 1xsj s GLU 31 CO 0.08 0.26 -0.18 1.41 0.02 0.00 0.00 175.26 176.85 1xsj s MET 32 N -2.13 2.56 -0.16 1.61 -2.45 -0.67 -0.54 119.30 117.53 1xsj s MET 32 Ca 0.07 -0.69 -0.02 0.00 -1.25 0.00 0.00 55.69 53.79 1xsj s MET 32 Cb -0.09 -2.09 -0.02 0.00 1.25 0.00 0.00 34.83 33.89 1xsj s MET 32 CO 0.04 -0.01 -0.08 0.08 1.05 0.00 0.00 175.02 176.11 1xsj s VAL 33 N 0.82 3.43 -0.18 10.11 1.01 0.14 -0.53 120.40 135.21 1xsj s VAL 33 Ca -0.09 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1xsj s VAL 33 Cb -0.16 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 1xsj s VAL 33 CO 0.00 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.79 1xsj s VAL 34 N 0.58 2.89 -0.20 2.92 1.01 0.24 -1.11 120.40 126.73 1xsj s VAL 34 Ca -0.05 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1xsj s VAL 34 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1xsj s VAL 34 CO 0.03 0.49 0.48 -0.31 0.00 0.00 0.00 175.10 175.79 1xsj s TYR 35 N 1.03 3.37 -0.09 5.22 2.02 -0.03 -0.01 117.35 128.87 1xsj s TYR 35 Ca -0.01 0.73 0.00 0.00 -0.37 0.00 0.00 57.07 57.42 1xsj s TYR 35 Cb -0.15 -2.62 0.02 0.00 -0.40 0.00 0.00 41.96 38.81 1xsj s TYR 35 CO -0.02 -0.07 -0.07 0.00 -1.57 0.00 0.00 175.55 173.81 1xsj s ALA 36 N 1.52 1.15 0.31 3.71 0.00 -0.57 -0.51 121.76 127.36 1xsj s ALA 36 Ca 0.23 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 1xsj s ALA 36 Cb -0.15 -0.74 -0.08 0.00 0.00 0.00 0.00 23.12 22.15 1xsj s ALA 36 CO 0.09 -0.23 0.69 0.00 0.00 0.00 0.00 175.76 176.31 1xsj s ALA 37 N 1.37 3.39 -1.85 0.00 0.00 -0.56 -0.93 121.76 123.17 1xsj s ALA 37 Ca -0.02 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 51.92 1xsj s ALA 37 Cb -0.14 -2.67 0.17 0.00 0.00 0.00 0.00 23.12 20.48 1xsj s ALA 37 CO -0.04 0.33 1.10 -0.35 0.00 0.00 0.00 175.76 176.80 1xsj n PRO 38 N -0.44 1.51 -3.86 0.00 -0.04 -1.25 -1.09 135.00 129.83 1xsj n PRO 38 Ca 0.03 -0.70 -0.09 0.00 -0.04 0.00 0.00 63.50 62.70 1xsj n PRO 38 Cb 0.53 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.71 2.05 -0.15 0.54 1.70 -1.26 -4.76 118.95 115.35 1xsj s ARG 39 Ca 0.13 -1.34 -0.29 0.00 -0.47 0.00 0.00 55.73 53.76 1xsj s ARG 39 Cb 0.07 0.60 -0.03 0.00 -0.57 0.00 0.00 34.95 35.02 1xsj s ARG 39 CO 0.08 -0.94 1.44 0.34 -1.08 0.00 0.00 175.30 175.14 1xsj s ASP 40 N -3.04 6.75 -0.15 -2.89 2.15 -1.26 -4.66 116.67 113.57 1xsj s ASP 40 Ca 0.16 1.80 0.15 0.00 0.43 0.00 0.00 52.55 55.09 1xsj s ASP 40 Cb -0.05 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.46 1xsj s ASP 40 CO 0.11 -0.92 1.21 1.33 -0.17 0.00 0.00 175.17 176.73 1xsj n VAL 41 N 5.64 1.59 0.12 1.11 0.24 -1.26 -4.78 118.33 120.99 1xsj n VAL 41 Ca 0.16 -2.62 0.02 0.00 -2.04 0.00 0.00 64.34 59.86 1xsj n VAL 41 Cb 0.44 0.11 0.36 0.00 -1.47 0.00 0.00 33.84 33.29 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 1.00 0.21 -5.86 7.34 3.08 -1.94 -3.44 114.38 114.77 1xsj h ARG 42 Ca -0.06 -0.06 -0.63 0.00 0.07 0.00 0.00 59.98 59.30 1xsj h ARG 42 Cb 1.26 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.23 1xsj h ARG 42 CO 0.03 0.41 -0.43 -1.21 -1.07 0.00 0.00 179.97 177.70 1xsj s GLU 43 N -4.57 3.52 0.54 0.04 2.02 -1.26 -4.99 118.70 114.00 1xsj s GLU 43 Ca -0.05 -0.18 0.21 0.00 0.02 0.00 0.00 54.97 54.98 1xsj s GLU 43 Cb 0.15 -3.08 1.40 0.00 0.10 0.00 0.00 34.13 32.70 1xsj s GLU 43 CO 0.74 0.66 2.11 0.00 0.02 0.00 0.00 175.26 178.79 1xsj h ARG 44 N 3.93 0.00 0.00 1.61 3.08 -1.98 -0.62 114.38 120.40 1xsj h ARG 44 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 1xsj h ARG 44 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1xsj h ARG 44 CO 0.67 0.00 -0.05 0.00 -1.07 0.00 0.00 179.97 179.52 1xsj h THR 45 N 0.00 0.25 -0.05 2.04 1.03 -1.95 -1.22 112.91 113.01 1xsj h THR 45 Ca 0.08 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 66.10 1xsj h THR 45 Cb 0.35 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 1xsj h THR 45 CO -0.00 0.05 0.00 0.79 -0.01 0.00 0.00 175.52 176.35 1xsj n TRP 46 N -3.33 0.04 -1.46 0.00 7.02 -0.24 -4.60 117.44 114.87 1xsj n TRP 46 Ca -0.01 -0.02 -0.26 0.00 -1.02 0.00 0.00 57.50 56.18 1xsj n TRP 46 Cb 0.21 -0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.03 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 1.11 2.61 -3.61 -0.99 6.02 -0.46 -4.80 117.38 117.26 1xsj n GLN 47 Ca 0.12 -2.23 -0.02 0.00 -0.01 0.00 0.00 57.00 54.86 1xsj n GLN 47 Cb 0.49 -2.19 -0.01 0.00 1.02 0.00 0.00 30.24 29.55 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 -1.73 -0.08 -1.35 1.08 0.05 -1.26 -5.00 118.68 110.39 1xsj s LEU 48 Ca 0.60 -0.04 -0.02 0.00 0.05 0.00 0.00 54.13 54.72 1xsj s LEU 48 Cb 0.35 1.30 -0.00 0.00 -2.05 0.00 0.00 46.19 45.79 1xsj s LEU 48 CO -0.17 -0.20 0.54 0.47 -0.55 0.00 0.00 176.35 176.44 1xsj n ASP 49 N -0.22 -1.04 -3.71 1.48 8.00 -1.26 -5.00 116.55 114.80 1xsj n ASP 49 Ca -0.02 -0.95 -0.14 0.00 0.71 0.00 0.00 54.79 54.39 1xsj n ASP 49 Cb 0.60 -3.41 -0.09 0.00 -0.02 0.00 0.00 41.12 38.20 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 -3.82 0.02 0.91 -3.53 -1.32 -1.26 -5.15 115.64 101.48 1xsj s THR 50 Ca 0.05 -0.18 -0.11 0.00 -1.21 0.00 0.00 61.69 60.23 1xsj s THR 50 Cb -0.02 -0.67 0.14 0.00 -1.51 0.00 0.00 72.50 70.45 1xsj s THR 50 CO 0.86 -0.10 1.10 -2.84 -2.21 0.00 0.00 174.62 171.43 1xsj s PRO 51 N -0.56 1.11 -0.09 7.08 0.02 -1.26 -5.08 135.00 136.22 1xsj s PRO 51 Ca -0.07 1.08 -0.06 0.00 0.02 0.00 0.00 61.00 61.98 1xsj s PRO 51 Cb -0.03 -1.77 0.04 0.00 0.02 0.00 0.00 34.50 32.75 1xsj s PRO 51 CO 0.03 -2.42 0.22 -1.17 -0.33 0.00 0.00 177.00 173.33 1xsj s LEU 52 N -6.39 0.76 0.00 -5.54 0.20 -1.26 -4.27 118.68 102.18 1xsj s LEU 52 Ca 0.64 0.45 -0.11 0.00 0.69 0.00 0.00 54.13 55.80 1xsj s LEU 52 Cb -0.20 0.67 -0.05 0.00 -0.43 0.00 0.00 46.19 46.17 1xsj s LEU 52 CO 0.58 -0.13 0.34 -0.36 -0.29 0.00 0.00 176.35 176.49 1xsj s PHE 53 N 0.82 3.64 -0.26 5.38 0.40 -0.11 -4.78 117.98 123.07 1xsj s PHE 53 Ca -0.06 0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 57.06 1xsj s PHE 53 Cb -0.07 -2.15 0.04 0.00 0.51 0.00 0.00 43.02 41.35 1xsj s PHE 53 CO -0.05 0.62 -0.07 0.99 0.70 0.00 0.00 175.22 177.41 1xsj s THR 54 N -1.19 2.64 -0.24 0.64 2.01 -0.82 -1.52 115.64 117.16 1xsj s THR 54 Ca 0.25 -1.28 -0.09 0.00 0.31 0.00 0.00 61.69 60.88 1xsj s THR 54 Cb -0.15 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1xsj s THR 54 CO 0.13 0.09 0.13 -0.76 -0.69 0.00 0.00 174.62 173.52 1xsj s LEU 55 N 1.24 3.91 -0.17 4.42 1.02 0.99 -1.30 118.68 128.79 1xsj s LEU 55 Ca -0.03 0.01 -0.02 0.00 0.02 0.00 0.00 54.13 54.11 1xsj s LEU 55 Cb -0.18 -2.05 -0.01 0.00 0.02 0.00 0.00 46.19 43.97 1xsj s LEU 55 CO -0.04 0.03 -0.10 -0.60 0.02 0.00 0.00 176.35 175.65 1xsj s ARG 56 N 1.24 3.34 -0.13 1.70 3.52 0.23 0.80 118.95 129.65 1xsj s ARG 56 Ca 0.06 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1xsj s ARG 56 Cb -0.14 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.45 1xsj s ARG 56 CO 0.05 0.01 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.43 1xsj s PHE 57 N 0.90 2.97 0.18 5.12 0.08 0.32 -0.63 117.98 126.91 1xsj s PHE 57 Ca -0.02 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 56.57 1xsj s PHE 57 Cb -0.15 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1xsj s PHE 57 CO -0.00 0.01 0.47 -0.59 -0.10 0.00 0.00 175.22 175.01 1xsj s PHE 58 N 0.10 -0.04 -0.15 0.36 -0.71 -0.83 -1.66 117.98 115.05 1xsj s PHE 58 Ca -0.02 -0.31 -0.01 0.00 -1.04 0.00 0.00 56.93 55.55 1xsj s PHE 58 Cb -0.14 0.30 0.04 0.00 -1.21 0.00 0.00 43.02 42.02 1xsj s PHE 58 CO 0.03 -0.86 -0.01 0.45 -1.34 0.00 0.00 175.22 173.48 1xsj s SER 59 N -2.88 2.49 0.21 1.98 0.15 -1.26 0.11 113.70 114.49 1xsj s SER 59 Ca 0.10 -0.54 0.25 0.00 0.70 0.00 0.00 55.95 56.46 1xsj s SER 59 Cb 0.00 -0.70 0.53 0.00 -1.71 0.00 0.00 66.02 64.14 1xsj s SER 59 CO -0.03 -0.22 1.54 1.55 1.20 0.00 0.00 173.24 177.28 1xsj h PRO 60 N 8.21 0.00 -2.38 5.44 0.13 -1.80 -3.42 132.00 138.19 1xsj h PRO 60 Ca -0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1xsj h PRO 60 Cb 1.12 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.08 1xsj h PRO 60 CO 0.35 0.00 0.21 -0.65 -0.23 0.00 0.00 178.00 177.68 1xsj s GLN 61 N -3.16 1.13 0.25 0.86 -1.52 -1.26 -0.84 119.66 115.12 1xsj s GLN 61 Ca 0.08 -0.03 -0.31 0.00 -1.95 0.00 0.00 55.36 53.14 1xsj s GLN 61 Cb 0.12 0.53 -0.12 0.00 -0.22 0.00 0.00 33.01 33.31 1xsj s GLN 61 CO 0.66 -0.41 1.58 -1.91 -0.25 0.00 0.00 175.29 174.96 1xsj n GLU 62 N 0.39 2.50 -1.03 2.91 0.00 -1.26 -1.35 120.64 122.80 1xsj n GLU 62 Ca -0.18 0.89 -0.01 0.00 0.00 0.00 0.00 57.16 57.86 1xsj n GLU 62 Cb 0.60 -2.66 -0.00 0.00 0.00 0.00 0.00 31.44 29.38 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 2.69 0.40 3.24 8.31 0.00 -1.22 -4.93 105.19 113.68 1xsj n GLY 63 Ca 0.12 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.72 2.65 -0.30 -0.61 1.01 -0.46 -1.01 121.20 120.77 1xsj s ILE 64 Ca 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 1xsj s ILE 64 Cb 0.00 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1xsj s ILE 64 CO 0.00 0.50 0.07 0.54 0.00 0.00 0.00 174.94 176.06 1xsj s VAL 65 N 1.06 3.86 0.18 2.92 0.11 -0.64 -4.13 120.40 123.76 1xsj s VAL 65 Ca -0.01 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 57.98 1xsj s VAL 65 Cb -0.15 -3.01 -0.08 0.00 -1.53 0.00 0.00 36.38 31.62 1xsj s VAL 65 CO -0.04 0.06 0.94 -0.83 -3.33 0.00 0.00 175.10 171.90 1xsj s GLY 66 N 1.48 3.06 -0.16 6.54 0.00 0.12 -1.04 107.32 117.31 1xsj s GLY 66 Ca 0.02 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1xsj s GLY 66 CO 0.02 1.30 -0.10 0.14 0.00 0.00 0.00 173.10 174.46 1xsj s VAL 67 N -0.66 1.39 -0.23 1.40 1.01 0.33 -1.97 120.40 121.68 1xsj s VAL 67 Ca 0.43 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1xsj s VAL 67 Cb -0.25 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1xsj s VAL 67 CO 0.31 0.27 -0.07 -0.60 0.00 0.00 0.00 175.10 175.01 1xsj s ARG 68 N 1.53 3.05 -0.28 2.72 3.52 0.19 -1.42 118.95 128.27 1xsj s ARG 68 Ca 0.02 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.73 1xsj s ARG 68 Cb -0.14 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1xsj s ARG 68 CO -0.09 -0.31 0.05 0.42 -0.81 0.00 0.00 175.30 174.56 1xsj s ILE 69 N 1.38 3.82 0.09 4.11 1.01 -0.10 -0.60 121.20 130.90 1xsj s ILE 69 Ca 0.03 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.13 1xsj s ILE 69 Cb -0.15 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1xsj s ILE 69 CO -0.05 0.17 -0.25 -1.61 0.00 0.00 0.00 174.94 173.20 1xsj s GLU 70 N 1.49 1.47 0.00 2.79 2.02 -0.42 -0.82 118.70 125.23 1xsj s GLU 70 Ca 0.03 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.83 1xsj s GLU 70 Cb -0.16 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.29 1xsj s GLU 70 CO 0.01 0.44 0.00 1.58 0.02 0.00 0.00 175.26 177.31 1xsj n HIS 71 N 1.32 0.00 -2.96 1.61 -0.00 0.14 -1.95 115.22 113.38 1xsj n HIS 71 Ca -0.18 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.15 1xsj n HIS 71 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.46 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 0.81 3.87 -1.27 1.57 0.08 -1.25 -4.83 117.98 116.95 1xsj s PHE 72 Ca 0.00 1.61 0.23 0.00 0.12 0.00 0.00 56.93 58.89 1xsj s PHE 72 Cb 0.00 -2.80 0.13 0.00 -0.57 0.00 0.00 43.02 39.78 1xsj s PHE 72 CO 0.00 0.44 1.15 1.04 -0.10 0.00 0.00 175.22 177.76 1xsj n GLN 73 N 1.94 0.31 0.00 0.44 6.02 -1.26 -4.39 117.38 120.43 1xsj n GLN 73 Ca -0.04 -0.23 0.15 0.00 -0.01 0.00 0.00 57.00 56.87 1xsj n GLN 73 Cb 0.49 -1.50 0.80 0.00 1.02 0.00 0.00 30.24 31.05 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 1.47 -1.04 3.71 1.08 0.00 -1.26 -4.88 105.19 104.27 1xsj n GLY 74 Ca 0.06 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1xsj n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsj n ALA 75 N -1.04 0.61 0.08 4.61 0.00 -1.26 -4.97 120.51 118.55 1xsj n ALA 75 Ca 0.18 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1xsj n ALA 75 Cb 0.20 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.31 1xsj n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xsj h LEU 76 N -0.13 -0.51 -3.43 0.00 3.38 -1.99 -3.48 115.31 109.15 1xsj h LEU 76 Ca -0.49 0.07 -0.45 0.00 0.09 0.00 0.00 57.88 57.10 1xsj h LEU 76 Cb 1.32 0.21 0.04 0.00 0.09 0.00 0.00 40.66 42.32 1xsj h LEU 76 CO 0.50 -0.25 -0.91 0.59 0.09 0.00 0.00 178.44 178.46 1xsj n ASN 77 N -5.31 -5.16 -4.88 -0.43 5.03 -1.26 -4.99 115.26 98.27 1xsj n ASN 77 Ca -0.06 -1.01 -0.31 0.00 0.87 0.00 0.00 54.58 54.08 1xsj n ASN 77 Cb 0.22 -2.81 0.03 0.00 -1.02 0.00 0.00 39.78 36.20 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 -3.37 5.89 1.34 6.41 0.01 -1.26 -5.10 114.94 118.86 1xsj s ASN 78 Ca 0.37 1.30 -0.19 0.00 -0.71 0.00 0.00 52.86 53.63 1xsj s ASN 78 Cb -0.16 -2.24 0.29 0.00 0.41 0.00 0.00 41.25 39.55 1xsj s ASN 78 CO 0.89 -1.07 0.77 0.61 -1.51 0.00 0.00 177.10 176.78 1xsj n GLY 79 N -2.85 -3.54 3.88 0.66 0.00 -1.26 -4.61 105.19 97.47 1xsj n GLY 79 Ca 0.06 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 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 -4.81 3.13 0.25 1.61 0.04 -1.26 -0.89 135.00 133.07 1xsj s PRO 80 Ca 0.56 0.58 0.11 0.00 0.04 0.00 0.00 61.00 62.28 1xsj s PRO 80 Cb -0.08 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1xsj s PRO 80 CO 0.45 -0.87 -0.11 -1.01 0.04 0.00 0.00 177.00 175.51 1xsj s HIS 81 N -3.29 2.50 0.48 0.56 3.76 -1.26 -4.83 115.29 113.21 1xsj s HIS 81 Ca 0.57 -0.27 -0.24 0.00 -0.15 0.00 0.00 55.06 54.97 1xsj s HIS 81 Cb -0.11 -1.12 -0.07 0.00 1.11 0.00 0.00 32.58 32.39 1xsj s HIS 81 CO 0.53 0.63 1.35 0.71 -0.85 0.00 0.00 174.74 177.11 1xsj s TYR 82 N -2.25 2.49 -1.58 1.40 2.02 -1.26 -4.89 117.35 113.28 1xsj s TYR 82 Ca 0.29 1.36 -0.11 0.00 -0.37 0.00 0.00 57.07 58.24 1xsj s TYR 82 Cb -0.06 -3.78 -0.06 0.00 -0.40 0.00 0.00 41.96 37.66 1xsj s TYR 82 CO 0.17 -2.64 2.80 -0.35 -1.57 0.00 0.00 175.55 173.96 1xsj n PRO 83 N -0.50 3.49 -2.81 -1.71 -0.04 -1.26 -4.94 135.00 127.24 1xsj n PRO 83 Ca 0.07 -2.26 -0.39 0.00 -0.04 0.00 0.00 63.50 60.88 1xsj n PRO 83 Cb 0.44 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.95 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 0.58 4.51 -0.73 1.53 1.02 -1.26 -4.76 118.68 119.57 1xsj s LEU 84 Ca 0.65 1.84 -0.23 0.00 0.02 0.00 0.00 54.13 56.41 1xsj s LEU 84 Cb 0.17 -3.72 0.06 0.00 0.02 0.00 0.00 46.19 42.72 1xsj s LEU 84 CO -0.06 0.07 1.10 0.20 0.02 0.00 0.00 176.35 177.68 1xsj s ASN 85 N -1.36 6.23 -0.30 2.29 0.01 0.86 -5.01 114.94 117.66 1xsj s ASN 85 Ca 0.44 -0.96 -0.08 0.00 -0.71 0.00 0.00 52.86 51.54 1xsj s ASN 85 Cb -0.22 -2.47 -0.00 0.00 0.41 0.00 0.00 41.25 38.97 1xsj s ASN 85 CO 0.28 -1.53 0.12 -0.63 -1.51 0.00 0.00 177.10 173.83 1xsj s ILE 86 N 4.47 4.35 0.16 0.60 1.01 -1.26 -4.79 121.20 125.75 1xsj s ILE 86 Ca 0.28 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 1xsj s ILE 86 Cb -0.12 -3.21 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 1xsj s ILE 86 CO 0.08 0.09 0.54 -0.76 0.00 0.00 0.00 174.94 174.90 1xsj s LEU 87 N 1.57 4.29 0.05 2.97 1.43 -0.02 -5.01 118.68 123.97 1xsj s LEU 87 Ca 0.04 1.02 0.23 0.00 -1.03 0.00 0.00 54.13 54.39 1xsj s LEU 87 Cb -0.17 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 1xsj s LEU 87 CO 0.05 0.06 0.92 0.00 0.23 0.00 0.00 176.35 177.61 1xsj n GLN 88 N 0.56 0.36 -0.69 1.70 1.13 -1.26 -4.53 117.38 114.66 1xsj n GLN 88 Ca -0.04 -0.02 0.06 0.00 -1.94 0.00 0.00 57.00 55.05 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 -2.05 1.52 -4.74 1.08 5.75 -1.26 -5.01 116.55 111.83 1xsj n ASP 89 Ca 0.01 -3.15 -0.42 0.00 -0.01 0.00 0.00 54.79 51.23 1xsj n ASP 89 Cb 0.46 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 40.10 1xsj n ASP 89 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xsj s VAL 90 N -2.15 2.17 -0.15 2.12 1.01 -1.26 -4.88 120.40 117.25 1xsj s VAL 90 Ca 0.32 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 1xsj s VAL 90 Cb 0.32 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1xsj s VAL 90 CO -0.07 0.02 1.52 -0.75 0.00 0.00 0.00 175.10 175.83 1xsj s LYS 91 N -0.12 4.06 0.21 2.72 2.20 -1.26 -4.99 119.74 122.56 1xsj s LYS 91 Ca 0.65 1.84 0.06 0.00 -0.36 0.00 0.00 55.97 58.15 1xsj s LYS 91 Cb -0.47 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 31.86 1xsj s LYS 91 CO 0.44 -0.97 -0.08 0.14 -0.36 0.00 0.00 175.35 174.52 1xsj s VAL 92 N 4.30 1.38 -0.08 4.02 -7.23 -1.26 -4.44 120.40 117.08 1xsj s VAL 92 Ca 0.67 -2.11 0.05 0.00 -1.81 0.00 0.00 61.98 58.78 1xsj s VAL 92 Cb -0.27 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1xsj s VAL 92 CO 0.25 -0.51 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.40 1xsj s THR 93 N -3.20 2.10 -0.14 5.32 2.01 -0.45 -4.99 115.64 116.29 1xsj s THR 93 Ca 0.24 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1xsj s THR 93 Cb 0.03 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1xsj s THR 93 CO 0.07 0.56 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.81 1xsj s ILE 94 N 0.09 1.39 -0.13 1.82 1.01 -1.26 -0.63 121.20 123.49 1xsj s ILE 94 Ca -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1xsj s ILE 94 Cb -0.16 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 40.98 1xsj s ILE 94 CO 0.06 0.41 -0.16 -1.83 0.00 0.00 0.00 174.94 173.43 1xsj s GLU 95 N 1.56 2.38 -0.40 2.79 -1.05 0.05 -4.99 118.70 119.03 1xsj s GLU 95 Ca 0.05 -0.61 -0.03 0.00 -0.15 0.00 0.00 54.97 54.23 1xsj s GLU 95 Cb -0.13 -2.06 0.11 0.00 -0.44 0.00 0.00 34.13 31.60 1xsj s GLU 95 CO -0.10 -0.13 0.19 1.21 0.95 0.00 0.00 175.26 177.39 1xsj s ASN 96 N 1.17 5.24 0.41 0.83 2.47 -1.26 -1.18 114.94 122.63 1xsj s ASN 96 Ca -0.02 -1.99 0.03 0.00 0.42 0.00 0.00 52.86 51.30 1xsj s ASN 96 Cb -0.14 -1.83 0.03 0.00 -1.45 0.00 0.00 41.25 37.86 1xsj s ASN 96 CO -0.06 -0.53 0.23 0.35 -3.72 0.00 0.00 177.10 173.37 1xsj n THR 97 N 4.60 0.00 0.36 -5.21 -2.24 -0.30 -5.03 114.28 106.46 1xsj n THR 97 Ca -0.03 -1.73 0.14 0.00 -2.27 0.00 0.00 64.05 60.16 1xsj n THR 97 Cb 0.41 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.00 0.06 -0.78 4.57 -2.03 -3.28 114.58 113.12 1xsj h GLU 98 Ca -0.28 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.53 1xsj h GLU 98 Cb 0.98 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.53 1xsj h GLU 98 CO 0.45 0.00 -2.14 -2.13 -1.18 0.00 0.00 179.01 174.02 1xsj n ARG 99 N -2.76 0.70 -3.93 1.92 0.63 -1.26 -4.75 116.66 107.20 1xsj n ARG 99 Ca 0.03 0.21 -0.09 0.00 -0.92 0.00 0.00 57.85 57.07 1xsj n ARG 99 Cb 0.40 -1.65 -0.09 0.00 0.45 0.00 0.00 32.46 31.57 1xsj n ARG 99 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1xsj s TYR 100 N -2.55 0.22 -0.16 -0.14 4.12 -1.24 -0.70 117.35 116.91 1xsj s TYR 100 Ca -0.22 -0.53 0.01 0.00 0.02 0.00 0.00 57.07 56.35 1xsj s TYR 100 Cb 0.07 -0.15 0.01 0.00 -1.52 0.00 0.00 41.96 40.37 1xsj s TYR 100 CO 0.73 -0.37 -0.18 0.00 0.02 0.00 0.00 175.55 175.75 1xsj s ALA 101 N -2.68 2.37 -0.03 3.71 0.00 -0.48 -1.15 121.76 123.50 1xsj s ALA 101 Ca -0.04 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1xsj s ALA 101 Cb -0.01 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.97 1xsj s ALA 101 CO -0.05 -0.14 -0.09 -2.00 0.00 0.00 0.00 175.76 173.48 1xsj s GLU 102 N 0.98 1.11 -0.11 0.00 2.12 -0.33 -0.62 118.70 121.84 1xsj s GLU 102 Ca -0.03 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.02 1xsj s GLU 102 Cb -0.15 -1.01 0.01 0.00 0.26 0.00 0.00 34.13 33.24 1xsj s GLU 102 CO -0.04 0.08 -0.20 0.12 -0.54 0.00 0.00 175.26 174.68 1xsj s PHE 103 N 0.35 2.32 -0.03 5.30 5.36 0.08 -0.77 117.98 130.58 1xsj s PHE 103 Ca -0.06 -1.05 0.03 0.00 -0.96 0.00 0.00 56.93 54.89 1xsj s PHE 103 Cb -0.11 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.98 1xsj s PHE 103 CO 0.01 -0.47 -0.11 0.21 -1.46 0.00 0.00 175.22 173.40 1xsj s LYS 104 N 0.67 1.20 -0.08 10.12 2.20 0.20 -0.27 119.74 133.77 1xsj s LYS 104 Ca -0.12 -0.38 -0.00 0.00 -0.36 0.00 0.00 55.97 55.11 1xsj s LYS 104 Cb -0.16 -1.08 0.02 0.00 -1.51 0.00 0.00 37.83 35.10 1xsj s LYS 104 CO 0.03 0.13 -0.04 0.45 -0.36 0.00 0.00 175.35 175.56 1xsj s SER 105 N 0.21 1.67 1.78 1.43 0.15 0.11 -1.34 113.70 117.70 1xsj s SER 105 Ca -0.04 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1xsj s SER 105 Cb -0.10 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1xsj s SER 105 CO 0.01 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1xsj n GLY 106 N 4.75 3.49 0.31 9.45 0.00 -1.26 -1.26 105.19 120.66 1xsj n GLY 106 Ca -0.14 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 4.43 1.02 -4.49 1.61 3.02 -1.26 -4.91 115.26 114.69 1xsj n ASN 107 Ca 0.00 -1.17 -0.34 0.00 -0.03 0.00 0.00 54.58 53.04 1xsj n ASN 107 Cb 0.00 0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.17 3.32 0.15 3.41 2.96 -0.39 -0.88 118.68 125.08 1xsj s LEU 108 Ca 0.36 -0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.19 1xsj s LEU 108 Cb 0.21 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1xsj s LEU 108 CO 0.40 0.12 -0.15 -0.94 -1.32 0.00 0.00 176.35 174.45 1xsj s SER 109 N 0.69 2.31 -0.14 3.68 1.04 -0.09 0.06 113.70 121.24 1xsj s SER 109 Ca -0.00 -0.88 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 1xsj s SER 109 Cb -0.14 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 1xsj s SER 109 CO 0.02 -0.13 -0.09 0.00 0.98 0.00 0.00 173.24 174.03 1xsj s ALA 110 N -2.36 2.80 -0.08 5.32 0.00 0.62 -0.72 121.76 127.35 1xsj s ALA 110 Ca 0.14 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1xsj s ALA 110 Cb -0.04 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.72 1xsj s ALA 110 CO 0.05 0.24 -0.12 0.50 0.00 0.00 0.00 175.76 176.43 1xsj s ARG 111 N 0.35 1.70 -0.10 0.00 3.52 0.62 -0.74 118.95 124.30 1xsj s ARG 111 Ca -0.08 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 1xsj s ARG 111 Cb -0.15 -1.47 -0.03 0.00 -1.56 0.00 0.00 34.95 31.75 1xsj s ARG 111 CO 0.04 -0.03 -0.08 0.08 -0.81 0.00 0.00 175.30 174.50 1xsj s VAL 112 N 0.88 3.55 -0.14 7.11 1.01 0.21 -0.84 120.40 132.17 1xsj s VAL 112 Ca -0.10 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 1xsj s VAL 112 Cb -0.15 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1xsj s VAL 112 CO 0.01 0.56 0.57 -0.44 0.00 0.00 0.00 175.10 175.80 1xsj s SER 113 N -0.34 6.73 0.77 3.32 0.01 -0.67 -1.38 113.70 122.14 1xsj s SER 113 Ca 0.05 0.88 -0.12 0.00 1.31 0.00 0.00 55.95 58.07 1xsj s SER 113 Cb -0.12 -2.33 0.06 0.00 0.21 0.00 0.00 66.02 63.83 1xsj s SER 113 CO 0.02 -0.11 1.14 -0.54 0.41 0.00 0.00 173.24 174.16 1xsj s LYS 114 N 1.11 2.28 1.49 12.44 1.02 0.13 -4.19 119.74 134.01 1xsj s LYS 114 Ca 0.29 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.56 1xsj s LYS 114 Cb -0.16 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1xsj s LYS 114 CO 0.12 -1.41 0.00 0.41 -0.92 0.00 0.00 175.35 173.55 1xsj n GLY 115 N -3.07 -0.80 0.21 -3.33 0.00 -1.26 -4.36 105.19 92.58 1xsj n GLY 115 Ca 0.07 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.37 1.61 4.81 -1.92 -3.39 114.58 112.32 1xsj h GLU 116 Ca 0.00 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.55 1xsj h GLU 116 Cb 0.00 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 29.01 1xsj h GLU 116 CO 0.00 0.27 -0.35 -0.06 -0.73 0.00 0.00 179.01 178.14 1xsj s PHE 117 N -3.57 3.57 0.37 0.92 0.08 -1.26 -5.02 117.98 113.07 1xsj s PHE 117 Ca 0.01 -3.00 -0.28 0.00 0.12 0.00 0.00 56.93 53.78 1xsj s PHE 117 Cb 0.10 -3.07 -0.10 0.00 -0.57 0.00 0.00 43.02 39.37 1xsj s PHE 117 CO 0.66 -0.74 1.42 -0.46 -0.10 0.00 0.00 175.22 176.00 1xsj s TRP 118 N -0.79 2.71 -0.10 0.36 -0.11 -1.26 -4.75 118.94 115.00 1xsj s TRP 118 Ca 0.22 1.26 -0.23 0.00 1.22 0.00 0.00 56.10 58.57 1xsj s TRP 118 Cb -0.14 -3.90 0.05 0.00 -1.50 0.00 0.00 33.47 27.98 1xsj s TRP 118 CO -0.08 -2.63 0.55 0.45 -4.62 0.00 0.00 176.95 170.61 1xsj s SER 119 N -0.30 -0.52 -0.25 5.86 0.15 -1.26 -4.13 113.70 113.25 1xsj s SER 119 Ca 0.53 0.71 0.02 0.00 0.70 0.00 0.00 55.95 57.91 1xsj s SER 119 Cb -0.44 0.71 0.06 0.00 -1.71 0.00 0.00 66.02 64.64 1xsj s SER 119 CO 0.59 -0.42 -0.08 -0.22 1.20 0.00 0.00 173.24 174.31 1xsj s LEU 120 N -0.68 3.06 -0.04 3.45 0.20 -0.93 -1.67 118.68 122.06 1xsj s LEU 120 Ca -0.08 -1.31 0.05 0.00 0.69 0.00 0.00 54.13 53.48 1xsj s LEU 120 Cb -0.03 -1.37 -0.02 0.00 -0.43 0.00 0.00 46.19 44.34 1xsj s LEU 120 CO 0.05 -0.22 -0.18 -1.81 -0.29 0.00 0.00 176.35 173.91 1xsj s ASP 121 N 1.24 3.75 -0.22 3.68 1.01 -0.02 0.22 116.67 126.33 1xsj s ASP 121 Ca -0.07 -0.28 -0.08 0.00 0.71 0.00 0.00 52.55 52.83 1xsj s ASP 121 Cb -0.19 -0.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.96 1xsj s ASP 121 CO -0.06 0.33 0.08 -0.36 0.21 0.00 0.00 175.17 175.38 1xsj s PHE 122 N -0.65 3.18 -0.05 4.23 0.08 -0.22 -0.28 117.98 124.28 1xsj s PHE 122 Ca 0.10 -0.09 0.05 0.00 0.12 0.00 0.00 56.93 57.11 1xsj s PHE 122 Cb -0.11 -2.18 -0.01 0.00 -0.57 0.00 0.00 43.02 40.16 1xsj s PHE 122 CO 0.00 -0.07 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.34 1xsj s LEU 123 N 1.01 1.98 -0.38 -0.37 2.01 0.10 -0.72 118.68 122.32 1xsj s LEU 123 Ca 0.05 -0.42 -0.11 0.00 0.01 0.00 0.00 54.13 53.65 1xsj s LEU 123 Cb -0.14 -1.13 0.03 0.00 0.01 0.00 0.00 46.19 44.95 1xsj s LEU 123 CO 0.03 0.19 0.22 -0.60 1.01 0.00 0.00 176.35 177.20 1xsj s ARG 124 N -0.06 2.85 -1.42 1.70 3.52 0.26 -0.91 118.95 124.89 1xsj s ARG 124 Ca -0.03 -1.06 -0.11 0.00 -0.13 0.00 0.00 55.73 54.39 1xsj s ARG 124 Cb -0.12 -3.76 0.02 0.00 -1.56 0.00 0.00 34.95 29.53 1xsj s ARG 124 CO 0.03 -0.70 0.21 0.09 -0.81 0.00 0.00 175.30 174.12 1xsj n ASN 125 N 5.01 -0.60 0.00 -2.12 5.03 -0.06 -1.06 115.26 121.46 1xsj n ASN 125 Ca -0.12 -1.27 0.00 0.00 0.87 0.00 0.00 54.58 54.07 1xsj n ASN 125 Cb 0.46 -1.56 0.00 0.00 -1.02 0.00 0.00 39.78 37.67 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 -2.41 1.09 3.57 7.41 0.00 -1.26 -5.02 105.19 108.57 1xsj n GLY 126 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1xsj n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsj s GLU 127 N -0.01 3.87 -0.21 1.61 2.12 -0.22 -5.00 118.70 120.85 1xsj s GLU 127 Ca 0.00 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 54.66 1xsj s GLU 127 Cb 0.00 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1xsj s GLU 127 CO 0.00 0.09 1.58 0.50 -0.54 0.00 0.00 175.26 176.89 1xsj s ARG 128 N 0.89 3.84 0.04 4.30 3.52 -1.26 0.90 118.95 131.19 1xsj s ARG 128 Ca 0.04 1.66 0.19 0.00 -0.13 0.00 0.00 55.73 57.49 1xsj s ARG 128 Cb -0.14 -4.01 -0.16 0.00 -1.56 0.00 0.00 34.95 29.09 1xsj s ARG 128 CO 0.03 -1.23 0.72 0.44 -0.81 0.00 0.00 175.30 174.44 1xsj n ILE 129 N 6.30 0.94 -3.90 4.11 -5.35 0.11 -4.92 119.36 116.64 1xsj n ILE 129 Ca 0.18 -0.66 0.01 0.00 -0.27 0.00 0.00 62.75 62.01 1xsj n ILE 129 Cb 0.45 -0.53 0.01 0.00 -1.74 0.00 0.00 39.64 37.83 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 -2.74 0.00 -0.62 7.28 5.66 -1.22 -4.88 114.28 117.76 1xsj n THR 130 Ca -0.10 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1xsj n THR 130 Cb 0.79 0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.90 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 -0.49 -1.96 3.14 1.09 0.00 -1.26 -1.05 105.19 104.65 1xsj n GLY 131 Ca 0.02 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.70 3.39 0.65 1.61 0.15 0.13 -1.01 113.70 117.93 1xsj s SER 132 Ca 0.00 -0.67 -0.12 0.00 0.70 0.00 0.00 55.95 55.86 1xsj s SER 132 Cb 0.00 -1.52 -0.02 0.00 -1.71 0.00 0.00 66.02 62.77 1xsj s SER 132 CO 0.00 -0.02 1.04 -1.10 1.20 0.00 0.00 173.24 174.36 1xsj s GLN 133 N 1.30 3.29 0.23 5.44 -0.21 -1.26 -2.18 119.66 126.27 1xsj s GLN 133 Ca 0.04 0.89 -0.30 0.00 0.02 0.00 0.00 55.36 56.01 1xsj s GLN 133 Cb -0.14 -2.04 -0.15 0.00 1.00 0.00 0.00 33.01 31.69 1xsj s GLN 133 CO -0.11 -0.82 1.12 1.55 -2.12 0.00 0.00 175.29 174.91 1xsj n VAL 134 N -2.81 1.39 -0.96 1.09 3.14 -1.26 -1.75 118.33 117.17 1xsj n VAL 134 Ca 0.07 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1xsj n VAL 134 Cb 0.54 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.33 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 1.33 -0.64 -0.42 1.45 5.02 -1.26 -4.87 118.16 118.77 1xsj n LYS 135 Ca 0.12 0.16 0.10 0.00 -2.02 0.00 0.00 58.31 56.67 1xsj n LYS 135 Cb 0.29 -3.70 0.30 0.00 -0.02 0.00 0.00 35.03 31.90 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 -0.32 4.03 -3.96 4.39 3.02 -0.72 -4.92 115.26 116.79 1xsj n ASN 136 Ca 0.00 -2.18 -0.15 0.00 -0.03 0.00 0.00 54.58 52.21 1xsj n ASN 136 Cb 0.16 -0.47 -0.09 0.00 -0.61 0.00 0.00 39.78 38.76 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 -1.01 0.84 0.00 6.41 2.20 -1.26 -0.66 114.94 121.45 1xsj s ASN 137 Ca 0.45 -1.51 0.00 0.00 -0.94 0.00 0.00 52.86 50.86 1xsj s ASN 137 Cb 0.26 0.41 0.00 0.00 -2.00 0.00 0.00 41.25 39.92 1xsj s ASN 137 CO 0.26 -0.90 0.00 0.61 -2.94 0.00 0.00 177.10 174.14 1xsj n GLY 138 N -0.43 0.60 3.27 0.45 0.00 -0.70 -4.42 105.19 103.96 1xsj n GLY 138 Ca 0.03 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.69 2.24 -0.23 1.61 5.04 -0.51 -0.95 117.35 121.86 1xsj s TYR 139 Ca 0.00 -0.54 0.01 0.00 -2.44 0.00 0.00 57.07 54.10 1xsj s TYR 139 Cb 0.00 -1.46 0.03 0.00 0.35 0.00 0.00 41.96 40.88 1xsj s TYR 139 CO 0.00 -0.12 -0.12 0.08 -1.34 0.00 0.00 175.55 174.05 1xsj s VAL 140 N -0.37 2.39 -0.58 3.14 1.01 0.12 -2.31 120.40 123.81 1xsj s VAL 140 Ca 0.03 -1.16 -0.19 0.00 0.00 0.00 0.00 61.98 60.67 1xsj s VAL 140 Cb -0.11 -2.20 0.10 0.00 0.00 0.00 0.00 36.38 34.17 1xsj s VAL 140 CO 0.01 0.26 0.68 -1.58 0.00 0.00 0.00 175.10 174.47 1xsj s GLN 141 N 1.25 3.05 -0.61 2.72 0.74 0.04 -0.53 119.66 126.32 1xsj s GLN 141 Ca -0.01 -1.30 -0.24 0.00 0.05 0.00 0.00 55.36 53.86 1xsj s GLN 141 Cb -0.16 -4.25 0.05 0.00 1.10 0.00 0.00 33.01 29.75 1xsj s GLN 141 CO -0.08 -1.49 0.98 0.34 -0.55 0.00 0.00 175.29 174.50 1xsj s ASP 142 N 3.52 6.26 0.06 6.67 -1.08 -0.06 -1.35 116.67 130.69 1xsj s ASP 142 Ca 0.11 -0.61 0.27 0.00 -0.52 0.00 0.00 52.55 51.80 1xsj s ASP 142 Cb -0.24 -2.44 1.08 0.00 -1.46 0.00 0.00 42.92 39.86 1xsj s ASP 142 CO 0.07 -1.37 1.86 0.35 0.52 0.00 0.00 175.17 176.59 1xsj n THR 143 N 6.11 0.24 -0.06 1.71 -2.24 -0.34 -0.80 114.28 118.90 1xsj n THR 143 Ca -0.00 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 1xsj n THR 143 Cb 0.47 -0.57 -0.07 0.00 -2.10 0.00 0.00 70.33 68.06 1xsj n THR 143 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xsj h ASN 144 N 0.00 0.40 -0.07 3.42 2.35 -1.90 -3.36 115.58 116.43 1xsj h ASN 144 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1xsj h ASN 144 Cb 0.55 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1xsj h ASN 144 CO 0.00 0.81 0.00 -0.46 -1.65 0.00 0.00 177.43 176.13 1xsj n ASN 145 N -4.53 1.91 -2.70 5.81 6.94 -1.22 -4.98 115.26 116.48 1xsj n ASN 145 Ca -0.06 -1.50 -0.21 0.00 -0.02 0.00 0.00 54.58 52.79 1xsj n ASN 145 Cb 0.37 -0.04 0.01 0.00 -2.36 0.00 0.00 39.78 37.76 1xsj n ASN 145 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xsj n GLN 146 N 0.39 -3.16 -4.21 -3.83 1.13 0.02 -5.00 117.38 102.73 1xsj n GLN 146 Ca 0.06 0.93 -0.28 0.00 -1.94 0.00 0.00 57.00 55.76 1xsj n GLN 146 Cb 0.24 -5.68 -0.09 0.00 0.11 0.00 0.00 30.24 24.82 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 -5.36 2.30 -0.01 -1.09 0.52 -1.05 -4.98 118.95 109.28 1xsj s ARG 147 Ca 0.14 -1.04 0.07 0.00 -0.52 0.00 0.00 55.73 54.38 1xsj s ARG 147 Cb -0.06 -2.35 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 1xsj s ARG 147 CO 0.18 0.49 -0.22 -0.80 0.02 0.00 0.00 175.30 174.97 1xsj s ASN 148 N -2.55 3.47 0.14 0.23 0.01 -1.26 -0.88 114.94 114.10 1xsj s ASN 148 Ca 0.25 -0.41 0.05 0.00 -0.71 0.00 0.00 52.86 52.04 1xsj s ASN 148 Cb -0.10 -0.52 -0.04 0.00 0.41 0.00 0.00 41.25 41.00 1xsj s ASN 148 CO 0.16 0.31 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.63 1xsj s TYR 149 N -0.73 1.35 0.05 2.20 2.02 0.31 -3.00 117.35 119.55 1xsj s TYR 149 Ca 0.12 -0.66 0.07 0.00 -0.37 0.00 0.00 57.07 56.23 1xsj s TYR 149 Cb -0.10 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 1xsj s TYR 149 CO 0.01 0.13 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.31 1xsj s MET 150 N -3.29 2.04 0.14 -0.62 -1.94 -0.44 0.12 119.30 115.31 1xsj s MET 150 Ca 0.14 -1.01 -0.09 0.00 -1.71 0.00 0.00 55.69 53.03 1xsj s MET 150 Cb -0.01 -2.19 -0.01 0.00 2.01 0.00 0.00 34.83 34.63 1xsj s MET 150 CO 0.02 0.53 0.24 -0.59 -0.01 0.00 0.00 175.02 175.22 1xsj s PHE 151 N -0.98 0.33 -0.04 -0.03 -0.71 -0.13 -1.84 117.98 114.59 1xsj s PHE 151 Ca 0.16 -0.72 -0.14 0.00 -1.04 0.00 0.00 56.93 55.19 1xsj s PHE 151 Cb -0.11 -0.07 0.03 0.00 -1.21 0.00 0.00 43.02 41.66 1xsj s PHE 151 CO 0.06 -0.65 0.32 -2.00 -1.34 0.00 0.00 175.22 171.61 1xsj s GLU 152 N -3.93 0.61 -0.17 1.99 2.56 -0.80 -1.73 118.70 117.23 1xsj s GLU 152 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.97 55.04 1xsj s GLU 152 Cb 0.04 0.28 0.05 0.00 2.00 0.00 0.00 34.13 36.49 1xsj s GLU 152 CO -0.04 -0.16 -0.03 1.03 -0.56 0.00 0.00 175.26 175.51 1xsj s ARG 153 N -1.02 1.21 -0.18 4.30 0.52 0.16 -1.09 118.95 122.85 1xsj s ARG 153 Ca -0.11 -0.51 -0.13 0.00 -0.52 0.00 0.00 55.73 54.47 1xsj s ARG 153 Cb -0.05 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 1xsj s ARG 153 CO 0.03 -0.49 0.24 -0.51 0.02 0.00 0.00 175.30 174.59 1xsj s LEU 154 N 1.68 4.23 0.57 2.53 1.43 0.84 -4.44 118.68 125.52 1xsj s LEU 154 Ca -0.00 0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 53.30 1xsj s LEU 154 Cb -0.16 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1xsj s LEU 154 CO -0.07 0.12 1.31 0.47 0.23 0.00 0.00 176.35 178.41 1xsj n ASP 155 N 3.57 2.39 -4.32 2.29 8.00 -0.18 -0.49 116.55 127.82 1xsj n ASP 155 Ca -0.13 0.93 -0.32 0.00 0.71 0.00 0.00 54.79 55.98 1xsj n ASP 155 Cb 0.52 -1.56 -0.15 0.00 -0.02 0.00 0.00 41.12 39.91 1xsj n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xsj s LEU 156 N -3.51 2.42 0.93 0.64 1.43 0.69 -4.59 118.68 116.69 1xsj s LEU 156 Ca 0.74 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 1xsj s LEU 156 Cb -0.41 -1.50 0.15 0.00 0.03 0.00 0.00 46.19 44.46 1xsj s LEU 156 CO 0.47 0.20 1.17 -0.83 0.23 0.00 0.00 176.35 177.58 1xsj s GLY 157 N 0.14 1.61 0.24 -3.19 0.00 -1.26 -4.75 107.32 100.11 1xsj s GLY 157 Ca -0.10 -0.68 -0.31 0.00 0.00 0.00 0.00 44.72 43.62 1xsj s GLY 157 CO 0.06 -0.07 1.64 -0.62 0.00 0.00 0.00 173.10 174.10 1xsj n VAL 158 N -3.80 0.46 -0.92 1.40 0.31 -1.26 -0.99 118.33 113.53 1xsj n VAL 158 Ca 0.09 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1xsj n VAL 158 Cb 0.60 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1xsj n VAL 158 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsj n GLY 159 N 3.09 0.23 3.68 2.92 0.00 -1.26 -4.98 105.19 108.86 1xsj n GLY 159 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.10 4.32 0.20 1.61 2.12 -0.16 -4.98 118.70 120.71 1xsj s GLU 160 Ca 0.00 1.56 0.08 0.00 0.36 0.00 0.00 54.97 56.97 1xsj s GLU 160 Cb 0.00 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1xsj s GLU 160 CO 0.00 -0.52 -0.01 0.95 -0.54 0.00 0.00 175.26 175.14 1xsj s THR 161 N 2.69 3.59 -0.05 -1.70 -4.23 -1.26 -4.85 115.64 109.82 1xsj s THR 161 Ca 0.52 -1.59 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1xsj s THR 161 Cb -0.21 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 1xsj s THR 161 CO 0.17 -0.19 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.19 1xsj s VAL 162 N -1.89 2.70 0.14 2.29 1.01 -1.26 -2.45 120.40 120.95 1xsj s VAL 162 Ca 0.28 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1xsj s VAL 162 Cb -0.08 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1xsj s VAL 162 CO 0.19 0.58 -0.10 -0.31 0.00 0.00 0.00 175.10 175.46 1xsj s TYR 163 N -0.57 1.23 0.00 5.22 2.02 0.05 -0.37 117.35 124.93 1xsj s TYR 163 Ca 0.08 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 1xsj s TYR 163 Cb -0.11 -0.63 0.00 0.00 -0.40 0.00 0.00 41.96 40.81 1xsj s TYR 163 CO 0.01 0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.46 1xsj n GLY 164 N -0.07 0.99 2.40 0.71 0.00 -1.26 -2.07 105.19 105.90 1xsj n GLY 164 Ca -0.11 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.41 0.00 0.99 4.77 0.23 -4.82 117.00 116.76 1xsj n LEU 165 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1xsj n LEU 165 Cb 0.00 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 38.73 1xsj n LEU 165 CO 0.00 -0.57 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1xsj n GLY 166 N -1.00 -1.14 3.55 -0.72 0.00 -1.24 -3.49 105.19 101.15 1xsj n GLY 166 Ca -0.17 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.30 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 3.35 0.15 1.61 2.12 -0.57 -3.63 118.70 121.73 1xsj s GLU 167 Ca 0.00 -0.66 0.11 0.00 0.36 0.00 0.00 54.97 54.78 1xsj s GLU 167 Cb 0.00 -4.66 -0.04 0.00 0.26 0.00 0.00 34.13 29.69 1xsj s GLU 167 CO 0.00 -2.14 -0.25 1.03 -0.54 0.00 0.00 175.26 173.36 1xsj s ARG 168 N 5.26 1.41 0.00 4.30 0.52 -1.26 -4.54 118.95 124.64 1xsj s ARG 168 Ca 0.38 -1.40 0.08 0.00 -0.52 0.00 0.00 55.73 54.28 1xsj s ARG 168 Cb -0.05 -1.81 0.10 0.00 0.52 0.00 0.00 34.95 33.70 1xsj s ARG 168 CO 0.04 0.41 0.85 1.19 0.02 0.00 0.00 175.30 177.82 1xsj n PHE 169 N 0.67 0.07 -1.09 -0.53 3.72 -1.26 -2.80 117.46 116.23 1xsj n PHE 169 Ca -0.16 -0.10 -0.12 0.00 -0.05 0.00 0.00 57.45 57.03 1xsj n PHE 169 Cb 0.54 -0.01 0.09 0.00 -0.94 0.00 0.00 39.48 39.17 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 0.44 0.00 -1.57 4.37 -2.24 -1.26 -4.86 114.28 109.16 1xsj n THR 170 Ca 0.06 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 1xsj n THR 170 Cb 0.25 -1.50 -0.00 0.00 -2.10 0.00 0.00 70.33 66.98 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 -3.51 -0.36 -0.07 6.98 0.00 -1.26 -4.89 120.51 117.40 1xsj n ALA 171 Ca -0.08 0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 1xsj n ALA 171 Cb 0.23 -1.99 -0.01 0.00 0.00 0.00 0.00 19.45 17.68 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 1.64 0.04 -9.31 0.00 5.85 -1.93 -3.40 115.31 108.20 1xsj h LEU 172 Ca -0.41 0.04 -0.55 0.00 0.84 0.00 0.00 57.88 57.80 1xsj h LEU 172 Cb 1.35 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1xsj h LEU 172 CO 0.58 0.06 0.46 -0.69 -0.34 0.00 0.00 178.44 178.51 1xsj s VAL 173 N -6.18 4.83 -0.30 1.05 1.01 -1.26 -4.59 120.40 114.97 1xsj s VAL 173 Ca -0.13 2.00 0.19 0.00 0.00 0.00 0.00 61.98 64.04 1xsj s VAL 173 Cb 0.11 -4.29 0.20 0.00 0.00 0.00 0.00 36.38 32.39 1xsj s VAL 173 CO 0.70 0.07 1.52 0.03 0.00 0.00 0.00 175.10 177.42 1xsj h ARG 174 N 6.99 0.00 -6.11 2.72 2.47 -0.92 -3.47 114.38 116.06 1xsj h ARG 174 Ca -0.35 0.00 -0.76 0.00 -1.26 0.00 0.00 59.98 57.61 1xsj h ARG 174 Cb 1.17 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.54 1xsj h ARG 174 CO 0.81 0.26 0.37 0.09 0.56 0.00 0.00 179.97 182.05 1xsj n ASN 175 N -3.16 0.98 0.00 7.04 4.13 -1.26 -0.98 115.26 122.01 1xsj n ASN 175 Ca 0.03 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1xsj n ASN 175 Cb 0.64 -1.03 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 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 2.46 0.51 3.69 7.41 0.00 0.15 -4.98 105.19 114.44 1xsj n GLY 176 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1xsj n GLY 176 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xsj s GLN 177 N -0.89 2.54 -0.07 1.61 -2.07 -0.15 -4.62 119.66 116.01 1xsj s GLN 177 Ca 0.00 -0.92 -0.17 0.00 -1.82 0.00 0.00 55.36 52.44 1xsj s GLN 177 Cb 0.00 -2.50 -0.05 0.00 -1.09 0.00 0.00 33.01 29.38 1xsj s GLN 177 CO 0.00 0.51 0.46 0.99 -1.32 0.00 0.00 175.29 175.93 1xsj s THR 178 N -1.48 5.11 -0.09 3.63 2.01 -1.26 -0.95 115.64 122.60 1xsj s THR 178 Ca 0.27 0.94 -0.01 0.00 0.31 0.00 0.00 61.69 63.20 1xsj s THR 178 Cb -0.11 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.64 1xsj s THR 178 CO 0.19 0.41 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.81 1xsj s VAL 179 N 0.02 0.64 -0.26 3.82 1.01 0.22 -4.99 120.40 120.86 1xsj s VAL 179 Ca 0.25 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 1xsj s VAL 179 Cb -0.16 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1xsj s VAL 179 CO 0.12 0.30 0.16 -1.61 0.00 0.00 0.00 175.10 174.07 1xsj s GLU 180 N 1.87 3.96 -1.11 2.72 0.41 -1.26 0.16 118.70 125.44 1xsj s GLU 180 Ca 0.05 -0.32 -0.18 0.00 -0.41 0.00 0.00 54.97 54.10 1xsj s GLU 180 Cb -0.12 -3.56 0.11 0.00 -1.78 0.00 0.00 34.13 28.77 1xsj s GLU 180 CO -0.06 -0.08 1.43 0.95 -0.49 0.00 0.00 175.26 177.01 1xsj s THR 181 N 1.45 4.46 -0.19 3.63 -4.23 -0.67 -4.86 115.64 115.24 1xsj s THR 181 Ca 0.07 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1xsj s THR 181 Cb -0.15 -4.99 0.09 0.00 1.34 0.00 0.00 72.50 68.79 1xsj s THR 181 CO 0.08 -1.77 0.19 0.86 -0.54 0.00 0.00 174.62 173.44 1xsj s TRP 182 N 3.34 -0.17 0.31 3.99 -0.11 -1.26 -4.03 118.94 121.01 1xsj s TRP 182 Ca 0.44 0.10 -0.30 0.00 1.22 0.00 0.00 56.10 57.56 1xsj s TRP 182 Cb -0.01 -0.44 -0.11 0.00 -1.50 0.00 0.00 33.47 31.41 1xsj s TRP 182 CO -0.03 -0.58 1.57 -0.80 -4.62 0.00 0.00 176.95 172.49 1xsj s ASN 183 N 2.28 6.38 0.07 5.86 0.01 -1.26 -4.64 114.94 123.64 1xsj s ASN 183 Ca 0.06 2.95 -0.09 0.00 -0.71 0.00 0.00 52.86 55.07 1xsj s ASN 183 Cb -0.16 -2.64 -0.00 0.00 0.41 0.00 0.00 41.25 38.86 1xsj s ASN 183 CO -0.11 -0.89 0.18 -0.13 -1.51 0.00 0.00 177.10 174.64 1xsj s ARG 184 N -0.78 0.77 -0.94 -0.60 0.52 -0.44 -4.66 118.95 112.81 1xsj s ARG 184 Ca 0.61 -0.82 -0.12 0.00 -0.52 0.00 0.00 55.73 54.88 1xsj s ARG 184 Cb -0.47 0.31 0.24 0.00 0.52 0.00 0.00 34.95 35.55 1xsj s ARG 184 CO 0.50 -0.23 0.91 0.34 0.02 0.00 0.00 175.30 176.84 1xsj s ASP 185 N -2.51 6.97 -0.02 0.23 -1.08 -1.26 -3.24 116.67 115.76 1xsj s ASP 185 Ca 0.00 -3.01 0.08 0.00 -0.52 0.00 0.00 52.55 49.10 1xsj s ASP 185 Cb 0.02 -2.22 0.22 0.00 -1.46 0.00 0.00 42.92 39.48 1xsj s ASP 185 CO -0.08 -0.48 1.17 0.61 0.52 0.00 0.00 175.17 176.92 1xsj n GLY 186 N 3.54 3.04 7.00 2.66 0.00 -1.26 -5.11 105.19 115.07 1xsj n GLY 186 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.00 -0.14 0.39 -0.02 0.00 -1.26 -4.36 105.19 99.80 1xsj n GLY 187 Ca 0.09 -1.04 0.04 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.07 0.26 0.15 2.61 -2.24 -1.25 -4.68 114.28 109.06 1xsj n THR 188 Ca 0.00 -0.63 0.11 0.00 -2.27 0.00 0.00 64.05 61.26 1xsj n THR 188 Cb 0.00 1.01 0.22 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.45 3.42 -2.00 3.42 7.64 -1.26 -4.76 113.62 120.52 1xsj n SER 189 Ca 0.06 -1.96 -0.04 0.00 1.01 0.00 0.00 58.87 57.94 1xsj n SER 189 Cb 0.27 -0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 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 1.38 0.00 0.76 0.44 -2.24 -1.26 -5.03 114.28 108.33 1xsj n THR 190 Ca 0.19 -0.33 0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1xsj n THR 190 Cb 0.57 0.10 0.47 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.14 0.02 -1.94 -0.78 0.00 -1.26 -4.43 120.64 112.10 1xsj n GLU 191 Ca -0.02 0.13 -0.31 0.00 0.00 0.00 0.00 57.16 56.96 1xsj n GLU 191 Cb 0.09 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.03 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 -2.98 3.62 -0.03 3.44 -0.21 -1.26 -4.90 119.66 117.34 1xsj s GLN 192 Ca 0.11 0.73 -0.04 0.00 0.02 0.00 0.00 55.36 56.17 1xsj s GLN 192 Cb 0.14 -2.10 0.01 0.00 1.00 0.00 0.00 33.01 32.06 1xsj s GLN 192 CO 0.39 -0.53 0.11 0.00 -2.12 0.00 0.00 175.29 173.14 1xsj s ALA 193 N -3.12 -0.27 0.14 6.09 0.00 -1.26 -4.69 121.76 118.64 1xsj s ALA 193 Ca 0.55 0.19 0.14 0.00 0.00 0.00 0.00 51.96 52.84 1xsj s ALA 193 Cb -0.11 -0.12 0.34 0.00 0.00 0.00 0.00 23.12 23.23 1xsj s ALA 193 CO 0.52 -0.09 1.58 1.88 0.00 0.00 0.00 175.76 179.65 1xsj h TYR 194 N 5.60 0.00 -3.14 0.00 0.05 -1.79 -1.17 116.97 116.51 1xsj h TYR 194 Ca -0.26 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.90 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 0.45 0.57 -0.72 0.15 -1.05 0.00 0.00 178.16 177.56 1xsj s LYS 195 N -3.35 1.33 -0.11 4.88 1.02 -1.26 -3.55 119.74 118.69 1xsj s LYS 195 Ca 0.00 -1.95 -0.05 0.00 0.02 0.00 0.00 55.97 53.99 1xsj s LYS 195 Cb 0.11 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 1xsj s LYS 195 CO 0.74 -1.11 0.08 -0.80 -0.92 0.00 0.00 175.35 173.34 1xsj s ASN 196 N 0.49 5.87 -0.08 2.83 0.01 -1.25 -1.52 114.94 121.29 1xsj s ASN 196 Ca 0.16 0.31 -0.03 0.00 -0.71 0.00 0.00 52.86 52.58 1xsj s ASN 196 Cb -0.23 -1.82 0.04 0.00 0.41 0.00 0.00 41.25 39.65 1xsj s ASN 196 CO -0.04 0.37 0.11 -0.63 -1.51 0.00 0.00 177.10 175.41 1xsj s ILE 197 N -0.84 -0.18 -0.06 0.60 -1.09 -1.23 -4.37 121.20 114.03 1xsj s ILE 197 Ca 0.13 0.30 -0.06 0.00 -2.23 0.00 0.00 60.65 58.79 1xsj s ILE 197 Cb -0.12 -0.29 -0.25 0.00 -1.58 0.00 0.00 42.46 40.22 1xsj s ILE 197 CO 0.03 0.09 3.48 -0.81 -1.23 0.00 0.00 174.94 176.50 1xsj n PRO 198 N 5.31 1.99 -4.98 2.79 -0.04 -1.26 -3.63 135.00 135.17 1xsj n PRO 198 Ca -0.04 -1.01 -0.28 0.00 -0.04 0.00 0.00 63.50 62.13 1xsj n PRO 198 Cb 0.50 -2.01 -0.16 0.00 -0.04 0.00 0.00 33.50 31.78 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 1.13 2.04 0.16 0.54 5.36 -1.26 -1.11 117.98 124.84 1xsj s PHE 199 Ca 0.64 -0.70 0.04 0.00 -0.96 0.00 0.00 56.93 55.95 1xsj s PHE 199 Cb 0.30 -1.38 -0.05 0.00 -0.34 0.00 0.00 43.02 41.56 1xsj s PHE 199 CO -0.00 -0.27 -0.09 1.52 -1.46 0.00 0.00 175.22 174.92 1xsj s TYR 200 N 0.22 1.32 0.13 10.12 -0.85 -0.76 -0.60 117.35 126.92 1xsj s TYR 200 Ca -0.10 -0.78 -0.04 0.00 -0.52 0.00 0.00 57.07 55.63 1xsj s TYR 200 Cb -0.15 -0.68 -0.03 0.00 0.38 0.00 0.00 41.96 41.48 1xsj s TYR 200 CO 0.05 0.07 0.12 0.00 -1.52 0.00 0.00 175.55 174.26 1xsj s MET 201 N -3.76 0.95 0.38 -3.49 0.23 -0.88 -1.01 119.30 111.72 1xsj s MET 201 Ca 0.19 -1.32 0.04 0.00 -1.03 0.00 0.00 55.69 53.56 1xsj s MET 201 Cb 0.03 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.57 1xsj s MET 201 CO 0.02 -0.29 0.08 0.95 -2.03 0.00 0.00 175.02 173.74 1xsj s THR 202 N -4.00 1.01 -2.00 3.16 -4.23 -0.83 -0.77 115.64 107.97 1xsj s THR 202 Ca 0.19 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.89 1xsj s THR 202 Cb 0.06 -2.58 0.53 0.00 1.34 0.00 0.00 72.50 71.86 1xsj s THR 202 CO -0.01 0.00 1.65 -0.46 -0.54 0.00 0.00 174.62 175.27 1xsj n ASN 203 N -0.98 0.00 -0.84 3.99 6.94 -1.02 -2.50 115.26 120.85 1xsj n ASN 203 Ca -0.05 -1.21 0.11 0.00 -0.02 0.00 0.00 54.58 53.40 1xsj n ASN 203 Cb 0.66 0.00 0.29 0.00 -2.36 0.00 0.00 39.78 38.37 1xsj n ASN 203 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xsj n ARG 204 N -0.83 2.09 -2.32 -3.83 5.12 -1.26 -4.95 116.66 110.68 1xsj n ARG 204 Ca 0.14 -1.65 -0.04 0.00 -1.93 0.00 0.00 57.85 54.37 1xsj n ARG 204 Cb 0.06 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 1xsj n ARG 204 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xsj n GLY 205 N 1.29 0.38 3.22 -0.13 0.00 -1.04 -4.92 105.19 104.00 1xsj n GLY 205 Ca 0.17 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.53 1.13 0.17 1.61 -0.85 -1.26 -1.54 117.35 114.08 1xsj s TYR 206 Ca 0.04 -1.10 0.03 0.00 -0.52 0.00 0.00 57.07 55.52 1xsj s TYR 206 Cb -0.02 -0.64 -0.05 0.00 0.38 0.00 0.00 41.96 41.63 1xsj s TYR 206 CO 0.05 -0.32 -0.05 0.20 -1.52 0.00 0.00 175.55 173.91 1xsj s GLY 207 N -3.15 1.17 -0.03 5.49 0.00 0.10 -1.96 107.32 108.94 1xsj s GLY 207 Ca 0.25 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.42 1xsj s GLY 207 CO 0.04 -1.57 -0.03 0.54 0.00 0.00 0.00 173.10 172.08 1xsj s VAL 208 N -3.47 0.37 -0.23 1.40 0.11 -0.18 0.61 120.40 119.02 1xsj s VAL 208 Ca 0.20 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1xsj s VAL 208 Cb 0.04 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1xsj s VAL 208 CO 0.02 0.18 0.08 -0.22 -3.33 0.00 0.00 175.10 171.83 1xsj s LEU 209 N 0.85 3.62 -0.34 2.54 2.96 -0.75 -1.82 118.68 125.74 1xsj s LEU 209 Ca -0.10 -0.09 -0.20 0.00 -0.22 0.00 0.00 54.13 53.52 1xsj s LEU 209 Cb -0.13 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 1xsj s LEU 209 CO -0.01 0.04 0.60 -0.69 -1.32 0.00 0.00 176.35 174.97 1xsj s VAL 210 N 1.19 4.94 -1.44 1.68 1.01 -0.26 -0.93 120.40 126.59 1xsj s VAL 210 Ca 0.05 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 1xsj s VAL 210 Cb -0.14 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.26 1xsj s VAL 210 CO 0.04 -0.23 2.59 -3.20 0.00 0.00 0.00 175.10 174.30 1xsj n ASN 211 N 5.91 8.12 -3.66 3.32 5.15 0.39 -4.78 115.26 129.70 1xsj n ASN 211 Ca -0.02 -2.91 -0.24 0.00 -0.60 0.00 0.00 54.58 50.80 1xsj n ASN 211 Cb 0.49 -1.45 -0.17 0.00 -0.53 0.00 0.00 39.78 38.11 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 0.31 0.35 0.23 1.20 3.76 -1.26 -4.76 115.29 115.10 1xsj s HIS 212 Ca 0.60 -0.24 0.34 0.00 -0.15 0.00 0.00 55.06 55.60 1xsj s HIS 212 Cb 0.18 -0.71 1.49 0.00 1.11 0.00 0.00 32.58 34.65 1xsj s HIS 212 CO -0.08 -0.43 2.04 -1.35 -0.85 0.00 0.00 174.74 174.07 1xsj h PRO 213 N 8.39 0.00 0.00 8.40 0.11 -1.88 -3.44 132.00 143.57 1xsj h PRO 213 Ca -0.15 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.68 1xsj h PRO 213 Cb 1.13 0.00 0.14 0.00 0.11 0.00 0.00 31.00 32.38 1xsj h PRO 213 CO 0.26 0.04 0.11 0.00 -0.21 0.00 0.00 178.00 178.20 1xsj n GLN 214 N -3.18 -2.31 -1.78 1.05 0.00 -1.26 -4.47 117.38 105.42 1xsj n GLN 214 Ca -0.00 -1.24 -0.42 0.00 0.00 0.00 0.00 57.00 55.33 1xsj n GLN 214 Cb 0.28 -1.12 -0.03 0.00 0.00 0.00 0.00 30.24 29.37 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 3.15 4.18 -0.38 0.00 1.01 -1.26 -4.58 120.40 122.52 1xsj s VAL 216 Ca 0.80 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 1xsj s VAL 216 Cb -0.43 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1xsj s VAL 216 CO 0.36 0.48 0.24 -0.55 0.00 0.00 0.00 175.10 175.62 1xsj s SER 217 N 0.42 5.86 -0.15 3.32 0.15 -0.45 -1.66 113.70 121.18 1xsj s SER 217 Ca -0.01 -0.92 -0.13 0.00 0.70 0.00 0.00 55.95 55.59 1xsj s SER 217 Cb -0.14 -2.07 -0.05 0.00 -1.71 0.00 0.00 66.02 62.06 1xsj s SER 217 CO 0.02 -0.39 0.27 -0.36 1.20 0.00 0.00 173.24 173.97 1xsj s PHE 218 N 1.60 3.49 -0.43 3.44 0.40 0.12 -1.77 117.98 124.84 1xsj s PHE 218 Ca 0.03 0.59 -0.05 0.00 -0.60 0.00 0.00 56.93 56.90 1xsj s PHE 218 Cb -0.19 -2.27 0.11 0.00 0.51 0.00 0.00 43.02 41.18 1xsj s PHE 218 CO 0.08 0.33 0.26 -1.21 0.70 0.00 0.00 175.22 175.38 1xsj s GLU 219 N 0.15 2.18 -0.72 0.44 0.41 0.95 -0.61 118.70 121.50 1xsj s GLU 219 Ca 0.16 -1.80 -0.19 0.00 -0.41 0.00 0.00 54.97 52.73 1xsj s GLU 219 Cb -0.13 -3.71 0.12 0.00 -1.78 0.00 0.00 34.13 28.63 1xsj s GLU 219 CO 0.04 -1.12 0.87 0.08 -0.49 0.00 0.00 175.26 174.64 1xsj s VAL 220 N 1.22 4.80 -1.56 2.63 1.01 -0.13 -1.68 120.40 126.69 1xsj s VAL 220 Ca 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1xsj s VAL 220 Cb -0.24 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.54 1xsj s VAL 220 CO -0.03 -1.28 0.00 0.61 0.00 0.00 0.00 175.10 174.40 1xsj n GLY 221 N 5.19 0.01 0.00 4.51 0.00 -0.50 0.33 105.19 114.73 1xsj n GLY 221 Ca 0.03 0.00 0.00 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 -1.69 0.03 0.01 1.61 3.41 -1.26 -3.56 113.62 112.17 1xsj n SER 222 Ca -0.20 -0.48 -0.03 0.00 -0.26 0.00 0.00 58.87 57.91 1xsj n SER 222 Cb 0.63 0.89 -0.01 0.00 -0.26 0.00 0.00 64.21 65.46 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 -0.89 0.10 -3.89 4.33 2.13 -1.26 -4.97 120.64 116.19 1xsj n GLU 223 Ca 0.00 0.04 -0.36 0.00 0.66 0.00 0.00 57.16 57.51 1xsj n GLU 223 Cb 0.00 -0.67 -0.13 0.00 0.27 0.00 0.00 31.44 30.91 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 -2.14 3.52 0.41 5.31 -0.14 -1.26 -4.97 119.74 120.46 1xsj s LYS 224 Ca -0.06 -0.55 0.21 0.00 -1.36 0.00 0.00 55.97 54.21 1xsj s LYS 224 Cb 0.01 -3.13 0.81 0.00 -1.68 0.00 0.00 37.83 33.84 1xsj s LYS 224 CO 0.08 -0.15 1.79 -0.39 -0.76 0.00 0.00 175.35 175.91 1xsj h VAL 225 N 5.59 0.75 -0.65 3.17 -1.51 -1.94 -2.52 116.25 119.15 1xsj h VAL 225 Ca -0.39 -1.31 -0.22 0.00 -1.23 0.00 0.00 66.70 63.55 1xsj h VAL 225 Cb 1.17 1.83 -0.13 0.00 -2.13 0.00 0.00 31.29 32.03 1xsj h VAL 225 CO 0.59 0.30 0.23 -1.54 -1.23 0.00 0.00 177.57 175.92 1xsj n SER 226 N -3.50 4.23 -3.90 4.19 3.41 -1.26 -4.46 113.62 112.33 1xsj n SER 226 Ca -0.00 -3.33 -0.10 0.00 -0.26 0.00 0.00 58.87 55.18 1xsj n SER 226 Cb 0.46 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.60 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 -3.05 0.54 -0.31 4.33 1.02 -0.95 -0.22 119.74 121.10 1xsj s LYS 227 Ca 0.52 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.80 1xsj s LYS 227 Cb 0.43 0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.94 1xsj s LYS 227 CO 0.11 -0.13 0.18 0.08 -0.92 0.00 0.00 175.35 174.66 1xsj s VAL 228 N -2.10 4.89 -0.18 3.17 1.01 0.36 -1.42 120.40 126.13 1xsj s VAL 228 Ca -0.09 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1xsj s VAL 228 Cb -0.04 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1xsj s VAL 228 CO -0.02 0.08 0.07 -1.58 0.00 0.00 0.00 175.10 173.65 1xsj s GLN 229 N 1.67 3.93 0.00 2.72 0.74 -0.68 -0.11 119.66 127.93 1xsj s GLN 229 Ca 0.05 -0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.18 1xsj s GLN 229 Cb -0.17 -3.22 -0.01 0.00 1.10 0.00 0.00 33.01 30.71 1xsj s GLN 229 CO 0.08 0.34 -0.09 -0.59 -0.55 0.00 0.00 175.29 174.47 1xsj s PHE 230 N 0.20 0.82 0.06 1.67 -0.12 -0.25 -0.04 117.98 120.32 1xsj s PHE 230 Ca 0.05 -0.19 -0.00 0.00 -0.05 0.00 0.00 56.93 56.73 1xsj s PHE 230 Cb -0.12 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.71 1xsj s PHE 230 CO 0.00 -0.01 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.58 1xsj s SER 231 N -0.40 0.59 -0.07 1.98 1.04 -0.73 -1.91 113.70 114.20 1xsj s SER 231 Ca 0.02 -0.95 -0.16 0.00 0.48 0.00 0.00 55.95 55.34 1xsj s SER 231 Cb -0.04 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.28 1xsj s SER 231 CO -0.00 -0.55 0.38 0.54 0.98 0.00 0.00 173.24 174.59 1xsj s VAL 232 N -3.63 0.03 -0.71 5.02 0.11 -0.77 -1.35 120.40 119.10 1xsj s VAL 232 Ca 0.06 -0.24 -0.27 0.00 -2.93 0.00 0.00 61.98 58.61 1xsj s VAL 232 Cb 0.06 -0.63 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1xsj s VAL 232 CO -0.08 -0.13 1.23 -0.70 -3.33 0.00 0.00 175.10 172.09 1xsj s GLU 233 N -0.68 3.22 -0.08 1.54 2.12 -1.26 -1.32 118.70 122.23 1xsj s GLU 233 Ca -0.08 -0.26 -0.31 0.00 0.36 0.00 0.00 54.97 54.69 1xsj s GLU 233 Cb -0.04 -4.17 0.12 0.00 0.26 0.00 0.00 34.13 30.30 1xsj s GLU 233 CO 0.03 -2.05 1.00 0.45 -0.54 0.00 0.00 175.26 174.15 1xsj s SER 234 N 3.63 -0.29 0.00 -1.70 0.15 -1.16 -4.98 113.70 109.34 1xsj s SER 234 Ca 0.34 0.04 0.28 0.00 0.70 0.00 0.00 55.95 57.31 1xsj s SER 234 Cb -0.09 0.30 1.05 0.00 -1.71 0.00 0.00 66.02 65.57 1xsj s SER 234 CO 0.16 -0.47 1.75 -0.62 1.20 0.00 0.00 173.24 175.25 1xsj n GLU 235 N -0.10 1.10 -3.87 5.44 -0.58 -1.26 -3.64 120.64 117.73 1xsj n GLU 235 Ca -0.06 -0.56 -0.10 0.00 -0.42 0.00 0.00 57.16 56.02 1xsj n GLU 235 Cb 0.60 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.90 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 -2.28 0.09 -0.11 -0.32 -0.85 -1.26 -0.68 117.35 111.93 1xsj s TYR 236 Ca 0.32 -0.31 0.03 0.00 -0.52 0.00 0.00 57.07 56.59 1xsj s TYR 236 Cb 0.20 -0.06 0.01 0.00 0.38 0.00 0.00 41.96 42.49 1xsj s TYR 236 CO 0.43 -0.39 -0.21 -1.17 -1.52 0.00 0.00 175.55 172.70 1xsj s LEU 237 N -1.96 1.99 -0.09 -3.49 2.96 0.00 -4.84 118.68 113.25 1xsj s LEU 237 Ca -0.07 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1xsj s LEU 237 Cb -0.02 -1.30 0.01 0.00 0.50 0.00 0.00 46.19 45.38 1xsj s LEU 237 CO -0.03 0.10 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.24 1xsj s GLU 238 N 0.61 2.24 0.11 1.98 2.12 -1.26 -0.92 118.70 123.57 1xsj s GLU 238 Ca -0.13 -0.59 -0.00 0.00 0.36 0.00 0.00 54.97 54.60 1xsj s GLU 238 Cb -0.17 -1.80 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 1xsj s GLU 238 CO 0.04 0.05 0.02 1.52 -0.54 0.00 0.00 175.26 176.35 1xsj s TYR 239 N 0.64 0.81 -0.14 5.30 1.13 -0.51 -0.46 117.35 124.12 1xsj s TYR 239 Ca -0.14 -1.14 0.01 0.00 -1.41 0.00 0.00 57.07 54.39 1xsj s TYR 239 Cb -0.16 -0.49 0.02 0.00 -1.10 0.00 0.00 41.96 40.23 1xsj s TYR 239 CO 0.04 -0.41 -0.16 -0.06 -2.51 0.00 0.00 175.55 172.45 1xsj s PHE 240 N -3.93 2.25 -0.13 -3.49 0.08 -0.10 -0.51 117.98 112.16 1xsj s PHE 240 Ca 0.18 -1.24 -0.25 0.00 0.12 0.00 0.00 56.93 55.75 1xsj s PHE 240 Cb 0.07 -1.63 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1xsj s PHE 240 CO -0.02 -0.65 0.80 0.08 -0.10 0.00 0.00 175.22 175.33 1xsj s VAL 241 N 1.32 4.93 -0.23 -0.44 1.01 -0.21 -1.82 120.40 124.97 1xsj s VAL 241 Ca 0.02 1.60 -0.02 0.00 0.00 0.00 0.00 61.98 63.57 1xsj s VAL 241 Cb -0.13 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1xsj s VAL 241 CO -0.09 0.11 -0.08 -0.63 0.00 0.00 0.00 175.10 174.41 1xsj s ILE 242 N 1.64 2.92 0.54 2.22 1.01 0.20 -1.62 121.20 128.11 1xsj s ILE 242 Ca 0.39 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 1xsj s ILE 242 Cb -0.17 -2.39 -0.06 0.00 0.01 0.00 0.00 42.46 39.85 1xsj s ILE 242 CO 0.15 0.34 1.06 -0.62 0.00 0.00 0.00 174.94 175.87 1xsj s ASP 243 N 1.38 6.01 0.00 3.58 2.15 -0.18 -0.72 116.67 128.88 1xsj s ASP 243 Ca 0.03 1.93 0.00 0.00 0.43 0.00 0.00 52.55 54.94 1xsj s ASP 243 Cb -0.15 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1xsj s ASP 243 CO -0.05 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 174.54 1xsj n GLY 244 N -0.44 -0.05 0.71 2.66 0.00 -0.59 -4.07 105.19 103.42 1xsj n GLY 244 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 1.97 -4.71 1.61 -0.04 -1.26 -4.67 135.00 127.90 1xsj n PRO 245 Ca 0.00 -1.11 -0.31 0.00 -0.04 0.00 0.00 63.50 62.04 1xsj n PRO 245 Cb 0.00 -1.43 -0.13 0.00 -0.04 0.00 0.00 33.50 31.90 1xsj n PRO 245 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xsj s THR 246 N -1.64 2.65 0.24 0.52 2.01 -1.26 -4.16 115.64 114.00 1xsj s THR 246 Ca 0.20 -1.23 -0.07 0.00 0.31 0.00 0.00 61.69 60.90 1xsj s THR 246 Cb 0.12 -2.10 0.23 0.00 0.01 0.00 0.00 72.50 70.76 1xsj s THR 246 CO 0.11 0.34 1.67 -0.65 -0.69 0.00 0.00 174.62 175.41 1xsj h PRO 247 N 4.59 0.21 -0.95 4.92 0.11 -1.87 0.14 132.00 139.15 1xsj h PRO 247 Ca -0.47 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1xsj h PRO 247 Cb 1.15 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 1xsj h PRO 247 CO 0.47 0.14 0.62 0.87 -0.21 0.00 0.00 178.00 179.88 1xsj h LYS 248 N 0.21 1.16 -0.17 1.05 1.57 -1.98 -0.73 116.57 117.68 1xsj h LYS 248 Ca 0.39 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.99 1xsj h LYS 248 Cb 0.66 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1xsj h LYS 248 CO -0.53 0.77 -0.39 0.00 -0.57 0.00 0.00 179.45 178.73 1xsj h ALA 249 N 1.39 1.02 0.07 3.86 0.00 -1.53 0.11 119.26 124.18 1xsj h ALA 249 Ca 0.38 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xsj h ALA 249 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xsj h ALA 249 CO -0.12 0.61 -0.03 0.28 0.00 0.00 0.00 179.25 179.98 1xsj h VAL 250 N 0.32 0.95 -0.30 0.00 2.07 0.03 -1.81 116.25 117.52 1xsj h VAL 250 Ca 0.03 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1xsj h VAL 250 Cb 0.83 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1xsj h VAL 250 CO 0.07 0.02 -0.06 -0.07 0.02 0.00 0.00 177.57 177.54 1xsj h LEU 251 N -0.12 0.45 -0.29 2.57 3.38 -0.92 0.24 115.31 120.62 1xsj h LEU 251 Ca -0.01 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1xsj h LEU 251 Cb 0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1xsj h LEU 251 CO 0.02 0.56 0.15 -0.78 0.09 0.00 0.00 178.44 178.48 1xsj h ASP 252 N 0.45 0.23 -0.46 -0.43 3.58 -0.61 -0.81 116.42 118.37 1xsj h ASP 252 Ca 0.09 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 1xsj h ASP 252 Cb 0.39 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 1xsj h ASP 252 CO 0.02 0.17 0.07 0.03 -2.88 0.00 0.00 179.24 176.65 1xsj h ARG 253 N 0.31 0.76 -0.33 0.28 3.08 -0.71 -2.21 114.38 115.56 1xsj h ARG 253 Ca 0.12 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1xsj h ARG 253 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1xsj h ARG 253 CO -0.07 0.78 0.18 -0.92 -1.07 0.00 0.00 179.97 178.87 1xsj h TYR 254 N 0.63 0.46 -0.00 3.04 3.20 -0.88 -0.15 116.97 123.27 1xsj h TYR 254 Ca 0.14 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 1xsj h TYR 254 Cb 0.39 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1xsj h TYR 254 CO 0.03 0.37 -0.69 1.79 -1.64 0.00 0.00 178.16 178.01 1xsj h THR 255 N 0.42 1.49 -0.92 1.81 1.35 -1.20 0.19 112.91 116.05 1xsj h THR 255 Ca 0.12 -2.36 -0.01 0.00 -0.55 0.00 0.00 66.41 63.61 1xsj h THR 255 Cb 0.06 2.27 -0.04 0.00 -1.73 0.00 0.00 68.15 68.71 1xsj h THR 255 CO -0.02 0.68 0.53 -0.09 -0.25 0.00 0.00 175.52 176.37 1xsj h ARG 256 N 0.02 1.26 -0.14 4.72 2.43 -1.24 0.23 114.38 121.66 1xsj h ARG 256 Ca -0.01 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 1xsj h ARG 256 Cb 1.23 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1xsj h ARG 256 CO 0.09 0.90 -0.15 0.35 -1.51 0.00 0.00 179.97 179.65 1xsj h PHE 257 N 1.27 0.41 0.00 2.20 3.57 -0.41 -3.37 116.94 120.62 1xsj h PHE 257 Ca 0.33 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1xsj h PHE 257 Cb -0.02 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1xsj h PHE 257 CO 0.01 0.75 -0.91 0.25 -2.23 0.00 0.00 178.31 176.18 1xsj n THR 258 N -4.56 0.00 0.00 4.41 -2.24 0.60 -0.10 114.28 112.39 1xsj n THR 258 Ca -0.06 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1xsj n THR 258 Cb 0.36 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.41 4.56 3.76 3.38 0.00 0.78 -4.05 105.19 115.04 1xsj n GLY 259 Ca 0.01 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.88 4.28 0.22 1.61 3.00 -1.10 -4.57 118.95 117.51 1xsj s ARG 260 Ca 0.00 0.66 -0.32 0.00 0.00 0.00 0.00 55.73 56.07 1xsj s ARG 260 Cb 0.00 -3.34 -0.14 0.00 0.00 0.00 0.00 34.95 31.47 1xsj s ARG 260 CO 0.00 0.37 1.40 -2.30 0.00 0.00 0.00 175.30 174.78 1xsj n PRO 261 N 2.77 1.96 -1.51 3.54 -0.02 -1.25 -4.16 135.00 136.32 1xsj n PRO 261 Ca -0.08 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 1xsj n PRO 261 Cb 0.51 -2.35 0.07 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.05 2.41 -0.39 3.55 0.00 -1.25 -4.05 121.76 122.07 1xsj s ALA 262 Ca 0.70 0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.80 1xsj s ALA 262 Cb -0.68 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.18 1xsj s ALA 262 CO 0.48 -1.48 0.66 -1.17 0.00 0.00 0.00 175.76 174.25 1xsj s LEU 263 N -5.43 4.33 0.59 0.00 2.96 -1.26 -4.75 118.68 115.11 1xsj s LEU 263 Ca 0.63 -0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 54.34 1xsj s LEU 263 Cb -0.18 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 1xsj s LEU 263 CO 0.50 -0.68 1.15 -2.84 -1.32 0.00 0.00 176.35 173.15 1xsj s PRO 264 N 2.81 3.06 0.58 0.98 0.02 -1.26 -4.92 135.00 136.28 1xsj s PRO 264 Ca 0.25 1.62 -0.20 0.00 0.02 0.00 0.00 61.00 62.69 1xsj s PRO 264 Cb -0.14 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1xsj s PRO 264 CO 0.17 -1.08 1.25 -1.25 -0.33 0.00 0.00 177.00 175.76 1xsj s PRO 265 N -3.51 2.99 0.31 5.54 0.04 -1.24 -4.93 135.00 134.20 1xsj s PRO 265 Ca 0.73 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.74 1xsj s PRO 265 Cb -0.25 -2.02 0.59 0.00 0.04 0.00 0.00 34.50 32.86 1xsj s PRO 265 CO 0.33 -1.22 1.88 0.00 0.04 0.00 0.00 177.00 178.03 1xsj h ALA 266 N 1.04 1.57 -0.80 8.56 0.00 -1.89 -1.71 119.26 126.03 1xsj h ALA 266 Ca -0.51 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 54.61 1xsj h ALA 266 Cb 1.30 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1xsj h ALA 266 CO 0.56 0.24 0.56 0.11 0.00 0.00 0.00 179.25 180.72 1xsj h TRP 267 N 0.96 0.21 0.00 0.00 5.08 -1.91 -1.24 115.95 119.05 1xsj h TRP 267 Ca 0.43 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.41 1xsj h TRP 267 Cb 0.37 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 1xsj h TRP 267 CO -0.00 0.06 0.00 0.66 -1.28 0.00 0.00 178.44 177.88 1xsj h SER 268 N 0.16 0.00 0.42 0.11 4.64 -1.67 -2.10 113.55 115.12 1xsj h SER 268 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1xsj h SER 268 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1xsj h SER 268 CO -0.07 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.38 1xsj n PHE 269 N -2.51 0.00 -0.10 4.77 3.72 -0.47 -4.69 117.46 118.18 1xsj n PHE 269 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1xsj n PHE 269 Cb 0.25 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 1.04 -0.33 3.66 1.37 0.00 -0.79 -4.76 105.19 105.38 1xsj n GLY 270 Ca 0.15 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.16 0.99 2.96 -1.26 -4.25 118.68 121.09 1xsj s LEU 271 Ca 0.00 0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 54.17 1xsj s LEU 271 Cb 0.00 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 1xsj s LEU 271 CO 0.00 -0.04 0.19 0.26 -1.32 0.00 0.00 176.35 175.44 1xsj s TRP 272 N 1.28 3.48 0.05 5.38 0.52 -0.58 -1.47 118.94 127.59 1xsj s TRP 272 Ca 0.15 0.47 0.08 0.00 0.02 0.00 0.00 56.10 56.82 1xsj s TRP 272 Cb -0.14 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 29.98 1xsj s TRP 272 CO 0.07 0.39 -0.22 -1.17 0.02 0.00 0.00 176.95 176.03 1xsj s LEU 273 N 0.03 2.18 0.39 2.99 1.98 -0.27 -0.66 118.68 125.32 1xsj s LEU 273 Ca 0.12 -0.56 0.08 0.00 -2.89 0.00 0.00 54.13 50.88 1xsj s LEU 273 Cb -0.12 -1.05 -0.06 0.00 0.66 0.00 0.00 46.19 45.61 1xsj s LEU 273 CO 0.01 0.18 0.07 0.42 -1.89 0.00 0.00 176.35 175.14 1xsj s THR 274 N -0.84 2.24 -0.39 3.68 -4.23 -0.56 -0.32 115.64 115.23 1xsj s THR 274 Ca 0.09 -1.90 0.23 0.00 -1.18 0.00 0.00 61.69 58.92 1xsj s THR 274 Cb -0.09 -2.94 0.23 0.00 1.34 0.00 0.00 72.50 71.04 1xsj s THR 274 CO 0.02 -0.05 1.68 0.35 -0.54 0.00 0.00 174.62 176.08 1xsj n THR 275 N -1.05 0.92 -0.65 3.99 -2.24 -0.89 -4.79 114.28 109.56 1xsj n THR 275 Ca -0.03 0.42 0.09 0.00 -2.27 0.00 0.00 64.05 62.25 1xsj n THR 275 Cb 0.65 -1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 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 -2.23 -3.91 0.00 3.42 7.64 -1.26 -4.71 113.62 112.56 1xsj n SER 276 Ca 0.01 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1xsj n SER 276 Cb 0.16 -2.06 0.00 0.00 -1.01 0.00 0.00 64.21 61.30 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 -2.98 0.00 -0.98 1.43 7.35 0.15 -4.52 117.46 117.91 1xsj n PHE 277 Ca -0.01 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.73 1xsj n PHE 277 Cb 0.30 -0.31 0.34 0.00 0.35 0.00 0.00 39.48 40.16 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 -1.50 2.66 -1.64 -2.13 -2.24 0.06 -4.59 114.28 104.89 1xsj n THR 278 Ca 0.00 -1.63 -0.30 0.00 -2.27 0.00 0.00 64.05 59.85 1xsj n THR 278 Cb 0.00 -0.29 0.18 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.85 1.91 0.25 4.28 -4.23 -1.25 -4.95 115.64 108.80 1xsj s THR 279 Ca 0.51 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.82 1xsj s THR 279 Cb 0.40 -2.82 -0.09 0.00 1.34 0.00 0.00 72.50 71.33 1xsj s THR 279 CO 0.13 0.00 0.77 0.20 -0.54 0.00 0.00 174.62 175.17 1xsj s ASN 280 N -4.43 7.08 -0.28 3.99 0.02 -1.26 -5.03 114.94 115.03 1xsj s ASN 280 Ca 0.70 1.48 -0.23 0.00 -1.02 0.00 0.00 52.86 53.79 1xsj s ASN 280 Cb -0.08 -2.44 0.13 0.00 0.02 0.00 0.00 41.25 38.87 1xsj s ASN 280 CO 0.53 -0.01 1.02 -0.72 0.02 0.00 0.00 177.10 177.95 1xsj s TYR 281 N -1.58 -0.50 0.25 2.20 1.13 -1.26 -5.02 117.35 112.57 1xsj s TYR 281 Ca 0.45 1.15 -0.06 0.00 -1.41 0.00 0.00 57.07 57.20 1xsj s TYR 281 Cb -0.16 0.37 0.03 0.00 -1.10 0.00 0.00 41.96 41.09 1xsj s TYR 281 CO 0.21 -0.24 0.44 -0.40 -2.51 0.00 0.00 175.55 173.05 1xsj n ASP 282 N 2.54 -1.28 -0.29 -0.18 3.85 -1.26 -4.96 116.55 114.96 1xsj n ASP 282 Ca -0.14 -2.13 -0.05 0.00 -0.71 0.00 0.00 54.79 51.76 1xsj n ASP 282 Cb 0.56 2.20 0.07 0.00 -1.35 0.00 0.00 41.12 42.60 1xsj n ASP 282 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1xsj h GLU 283 N 0.00 1.12 -0.39 0.11 4.81 -2.00 -1.68 114.58 116.55 1xsj h GLU 283 Ca -0.21 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 58.90 1xsj h GLU 283 Cb 0.81 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1xsj h GLU 283 CO 0.27 0.85 0.21 0.00 -0.73 0.00 0.00 179.01 179.61 1xsj h ALA 284 N 1.21 0.48 -0.49 2.92 0.00 -1.97 -0.41 119.26 121.01 1xsj h ALA 284 Ca 0.27 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1xsj h ALA 284 Cb 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1xsj h ALA 284 CO -0.04 -0.14 0.18 1.15 0.00 0.00 0.00 179.25 180.40 1xsj h THR 285 N 0.43 0.85 -0.07 0.00 2.02 -1.82 -1.05 112.91 113.27 1xsj h THR 285 Ca 0.16 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1xsj h THR 285 Cb 0.04 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1xsj h THR 285 CO -0.09 0.07 0.01 0.58 0.37 0.00 0.00 175.52 176.45 1xsj h VAL 286 N 0.37 1.21 -0.47 3.16 2.07 -1.06 -2.01 116.25 119.52 1xsj h VAL 286 Ca 0.23 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 67.19 1xsj h VAL 286 Cb 0.23 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 1xsj h VAL 286 CO -0.23 0.18 0.04 0.78 0.02 0.00 0.00 177.57 178.36 1xsj h ASN 287 N -0.13 -0.11 -0.60 0.57 2.35 -0.94 -1.24 115.58 115.47 1xsj h ASN 287 Ca 0.02 0.10 0.07 0.00 -0.55 0.00 0.00 56.30 55.94 1xsj h ASN 287 Cb 0.27 0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 1xsj h ASN 287 CO 0.00 -0.02 0.40 -1.28 -1.65 0.00 0.00 177.43 174.88 1xsj h SER 288 N 0.16 0.50 -0.08 5.81 0.87 -0.99 0.24 113.55 120.05 1xsj h SER 288 Ca 0.24 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.69 1xsj h SER 288 Cb 0.34 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1xsj h SER 288 CO -0.36 0.32 -0.39 -0.26 -0.53 0.00 0.00 176.83 175.62 1xsj h PHE 289 N 0.57 0.55 -0.26 2.24 0.04 -0.59 -1.44 116.94 118.06 1xsj h PHE 289 Ca 0.26 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1xsj h PHE 289 Cb 0.31 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1xsj h PHE 289 CO -0.00 0.99 0.07 0.82 -0.60 0.00 0.00 178.31 179.59 1xsj h ILE 290 N -0.04 1.21 -0.50 -0.55 2.04 -0.60 -0.49 117.51 118.58 1xsj h ILE 290 Ca -0.02 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 1xsj h ILE 290 Cb 1.03 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1xsj h ILE 290 CO 0.08 0.22 -0.07 0.44 0.00 0.00 0.00 178.15 178.82 1xsj h ASP 291 N 0.24 0.87 -0.89 1.72 3.32 -0.69 -1.76 116.42 119.23 1xsj h ASP 291 Ca 0.08 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 56.93 1xsj h ASP 291 Cb 0.26 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1xsj h ASP 291 CO -0.00 0.97 0.58 1.23 -1.72 0.00 0.00 179.24 180.30 1xsj h GLY 292 N 0.98 1.29 0.53 2.75 0.00 -0.89 0.17 103.07 107.90 1xsj h GLY 292 Ca 0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1xsj h GLY 292 CO 0.04 0.32 -0.04 -0.33 0.00 0.00 0.00 176.54 176.53 1xsj h MET 293 N 1.05 0.08 -0.71 4.80 2.86 -0.86 -3.21 114.93 118.94 1xsj h MET 293 Ca 0.37 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 58.05 1xsj h MET 293 Cb 0.14 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.74 1xsj h MET 293 CO -0.13 0.58 0.37 0.00 1.06 0.00 0.00 176.91 178.80 1xsj h ALA 294 N 0.49 0.97 0.00 6.32 0.00 -0.83 -0.48 119.26 125.74 1xsj h ALA 294 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xsj h ALA 294 Cb 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xsj h ALA 294 CO 0.01 0.01 -0.05 0.93 0.00 0.00 0.00 179.25 180.15 1xsj h GLU 295 N 0.66 0.00 -0.26 0.00 5.08 -0.73 -1.56 114.58 117.76 1xsj h GLU 295 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1xsj h GLU 295 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xsj h GLU 295 CO -0.23 0.05 0.00 0.54 -1.00 0.00 0.00 179.01 178.37 1xsj n ARG 296 N -3.32 2.17 -3.66 2.33 1.74 -0.96 -4.96 116.66 110.00 1xsj n ARG 296 Ca -0.01 -2.01 -0.23 0.00 -0.77 0.00 0.00 57.85 54.82 1xsj n ARG 296 Cb 0.21 -1.42 0.06 0.00 -1.02 0.00 0.00 32.46 30.28 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 1.21 -3.78 -4.29 0.55 3.02 -0.59 -4.99 115.26 106.38 1xsj n ASN 297 Ca 0.15 -0.68 -0.41 0.00 -0.03 0.00 0.00 54.58 53.61 1xsj n ASN 297 Cb 0.53 -4.55 -0.10 0.00 -0.61 0.00 0.00 39.78 35.05 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 -6.94 5.17 0.31 3.41 1.43 -0.23 -4.93 118.68 116.91 1xsj s LEU 298 Ca 0.33 -1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 51.71 1xsj s LEU 298 Cb -0.16 -2.01 -0.12 0.00 0.03 0.00 0.00 46.19 43.92 1xsj s LEU 298 CO 0.77 -0.54 1.34 -2.65 0.23 0.00 0.00 176.35 175.50 1xsj n PRO 299 N 4.96 2.15 -3.81 1.29 -0.02 -1.26 -4.30 135.00 134.01 1xsj n PRO 299 Ca -0.10 0.76 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1xsj n PRO 299 Cb 0.43 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 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 -0.74 1.43 -0.01 2.45 2.96 -1.26 -4.80 118.68 118.71 1xsj s LEU 300 Ca 0.59 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 1xsj s LEU 300 Cb -0.58 0.03 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 1xsj s LEU 300 CO 0.58 -0.08 0.01 1.41 -1.32 0.00 0.00 176.35 176.96 1xsj n HIS 301 N 3.68 0.00 -3.76 5.38 8.25 -0.54 -4.80 115.22 123.43 1xsj n HIS 301 Ca -0.21 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.09 1xsj n HIS 301 Cb 0.55 -0.05 -0.16 0.00 1.12 0.00 0.00 29.99 31.45 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 -2.04 -0.05 -0.10 1.59 1.01 -0.91 -0.34 120.40 119.55 1xsj s VAL 302 Ca -0.01 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1xsj s VAL 302 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1xsj s VAL 302 CO 0.05 0.11 -0.06 0.12 0.00 0.00 0.00 175.10 175.32 1xsj s PHE 303 N 1.31 2.98 -0.13 5.22 5.36 0.40 -1.11 117.98 132.00 1xsj s PHE 303 Ca -0.06 -0.11 0.01 0.00 -0.96 0.00 0.00 56.93 55.81 1xsj s PHE 303 Cb -0.13 -1.81 -0.01 0.00 -0.34 0.00 0.00 43.02 40.74 1xsj s PHE 303 CO -0.03 0.19 -0.17 -1.58 -1.46 0.00 0.00 175.22 172.17 1xsj s HIS 304 N -0.36 2.73 -0.37 10.12 5.65 0.56 -1.01 115.29 132.61 1xsj s HIS 304 Ca 0.06 -0.91 -0.18 0.00 0.25 0.00 0.00 55.06 54.28 1xsj s HIS 304 Cb -0.12 -1.82 0.00 0.00 -1.18 0.00 0.00 32.58 29.46 1xsj s HIS 304 CO 0.02 -0.37 0.50 -0.06 -0.65 0.00 0.00 174.74 174.18 1xsj s PHE 305 N 0.51 3.17 0.00 3.88 0.08 0.17 -2.10 117.98 123.69 1xsj s PHE 305 Ca -0.11 0.05 0.00 0.00 0.12 0.00 0.00 56.93 56.99 1xsj s PHE 305 Cb -0.16 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1xsj s PHE 305 CO 0.05 -0.58 0.00 -3.47 -0.10 0.00 0.00 175.22 171.11 1xsj n ASP 306 N 5.73 -0.00 -0.21 1.36 2.03 -1.26 -0.82 116.55 123.37 1xsj n ASP 306 Ca -0.05 -0.79 0.12 0.00 0.52 0.00 0.00 54.79 54.59 1xsj n ASP 306 Cb 0.49 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.31 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 -4.52 0.00 0.23 0.00 3.72 -1.26 -1.78 117.46 113.85 1xsj n PHE 308 Ca 0.15 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.66 1xsj n PHE 308 Cb 0.44 -0.04 0.46 0.00 -0.94 0.00 0.00 39.48 39.40 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 0.14 0.00 -2.14 1.38 5.08 -1.71 -3.44 115.95 115.25 1xsj h TRP 309 Ca 0.00 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 1xsj h TRP 309 Cb 0.22 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.36 1xsj h TRP 309 CO 0.00 0.18 -0.44 -1.64 -1.28 0.00 0.00 178.44 175.26 1xsj s MET 310 N -3.58 3.30 0.32 0.12 -1.94 -0.73 -0.44 119.30 116.35 1xsj s MET 310 Ca 0.01 -0.85 -0.29 0.00 -1.71 0.00 0.00 55.69 52.86 1xsj s MET 310 Cb 0.09 -2.82 -0.10 0.00 2.01 0.00 0.00 34.83 34.01 1xsj s MET 310 CO 0.63 0.38 1.41 0.15 -0.01 0.00 0.00 175.02 177.57 1xsj s LYS 311 N -3.98 4.25 0.43 2.03 1.02 -1.26 -4.77 119.74 117.46 1xsj s LYS 311 Ca 0.35 2.36 -0.25 0.00 0.02 0.00 0.00 55.97 58.46 1xsj s LYS 311 Cb -0.09 -3.05 -0.10 0.00 -0.52 0.00 0.00 37.83 34.08 1xsj s LYS 311 CO 0.29 -0.38 1.14 0.00 -0.92 0.00 0.00 175.35 175.48 1xsj n ALA 312 N 1.22 0.73 -0.81 5.17 0.00 -1.26 -1.48 120.51 124.08 1xsj n ALA 312 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1xsj n ALA 312 Cb 0.40 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 -0.43 0.00 -0.33 0.00 3.72 -1.26 -4.78 117.46 114.39 1xsj n PHE 313 Ca 0.08 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.53 1xsj n PHE 313 Cb 0.40 -0.85 0.13 0.00 -0.94 0.00 0.00 39.48 38.21 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 -1.70 2.80 -1.91 -1.08 6.02 -0.55 -3.70 117.38 117.27 1xsj n GLN 314 Ca 0.00 -2.08 -0.42 0.00 -0.01 0.00 0.00 57.00 54.50 1xsj n GLN 314 Cb 0.07 -1.31 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 1xsj n GLN 314 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1xsj s TRP 315 N -1.43 3.03 -0.49 1.08 0.51 -1.25 -2.53 118.94 117.87 1xsj s TRP 315 Ca 0.21 0.64 -0.00 0.00 -2.12 0.00 0.00 56.10 54.83 1xsj s TRP 315 Cb 0.14 -3.94 0.00 0.00 -0.81 0.00 0.00 33.47 28.85 1xsj s TRP 315 CO 0.10 -3.44 0.41 0.00 -0.51 0.00 0.00 176.95 173.50 1xsj n ASP 317 N -1.71 2.01 -0.69 0.00 5.75 -1.05 -4.70 116.55 116.17 1xsj n ASP 317 Ca -0.10 -1.51 -0.09 0.00 -0.01 0.00 0.00 54.79 53.08 1xsj n ASP 317 Cb 0.56 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.60 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 0.63 0.00 -3.82 2.11 3.72 -1.26 -4.99 117.46 113.85 1xsj n PHE 318 Ca 0.07 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.11 1xsj n PHE 318 Cb 0.29 -2.14 -0.11 0.00 -0.94 0.00 0.00 39.48 36.58 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 -2.53 3.89 0.36 -1.08 0.41 -1.26 -5.05 118.70 113.44 1xsj s GLU 319 Ca 0.00 -0.37 -0.28 0.00 -0.41 0.00 0.00 54.97 53.91 1xsj s GLU 319 Cb 0.00 -3.36 -0.11 0.00 -1.78 0.00 0.00 34.13 28.88 1xsj s GLU 319 CO 0.00 0.04 1.43 -1.58 -0.49 0.00 0.00 175.26 174.66 1xsj s TRP 320 N 1.05 2.74 -0.27 1.61 0.52 -1.26 -4.27 118.94 119.06 1xsj s TRP 320 Ca 0.05 1.24 -0.29 0.00 0.02 0.00 0.00 56.10 57.12 1xsj s TRP 320 Cb -0.14 -3.91 -0.02 0.00 -1.15 0.00 0.00 33.47 28.25 1xsj s TRP 320 CO 0.04 -2.64 1.67 0.34 0.02 0.00 0.00 176.95 176.37 1xsj s ASP 321 N -0.23 6.20 0.00 2.95 -1.08 0.42 -4.83 116.67 120.09 1xsj s ASP 321 Ca 0.52 1.46 0.24 0.00 -0.52 0.00 0.00 52.55 54.24 1xsj s ASP 321 Cb -0.44 -2.53 1.08 0.00 -1.46 0.00 0.00 42.92 39.56 1xsj s ASP 321 CO 0.59 -1.43 1.77 -0.81 0.52 0.00 0.00 175.17 175.82 1xsj n PRO 322 N 7.97 0.11 0.05 4.34 -0.04 -1.26 0.06 135.00 146.22 1xsj n PRO 322 Ca 0.20 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 1xsj n PRO 322 Cb 0.46 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 1xsj n PRO 322 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xsj n LEU 323 N -1.43 0.66 -0.04 1.53 4.77 -1.26 -3.47 117.00 117.76 1xsj n LEU 323 Ca 0.08 0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 56.14 1xsj n LEU 323 Cb 0.25 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1xsj n LEU 323 CO 0.21 -0.02 -0.74 0.41 -1.33 0.00 0.00 177.39 175.93 1xsj n THR 324 N -2.08 0.49 -3.32 -5.08 -1.04 -0.86 -4.81 114.28 97.58 1xsj n THR 324 Ca 0.02 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.05 61.47 1xsj n THR 324 Cb 0.45 -0.78 -0.09 0.00 -1.82 0.00 0.00 70.33 68.08 1xsj n THR 324 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1xsj n PHE 325 N -2.26 -0.53 0.37 -1.42 3.72 0.11 -3.83 117.46 113.61 1xsj n PHE 325 Ca -0.12 -3.45 0.14 0.00 -0.05 0.00 0.00 57.45 53.98 1xsj n PHE 325 Cb 0.73 -0.02 0.54 0.00 -0.94 0.00 0.00 39.48 39.79 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 4.93 0.00 -2.23 -1.08 0.11 -1.73 -3.36 132.00 128.64 1xsj h PRO 326 Ca 0.18 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.72 1xsj h PRO 326 Cb 0.89 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.62 1xsj h PRO 326 CO 0.42 0.00 -0.99 -3.47 -0.21 0.00 0.00 178.00 173.75 1xsj n ASP 327 N -2.55 -0.43 -0.01 -2.05 2.03 -1.26 -5.03 116.55 107.24 1xsj n ASP 327 Ca 0.02 -2.46 -0.11 0.00 0.52 0.00 0.00 54.79 52.75 1xsj n ASP 327 Cb 0.28 -0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 40.12 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 5.23 0.14 -0.43 -0.67 0.11 -1.99 -0.75 132.00 133.64 1xsj h PRO 328 Ca 0.22 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.20 1xsj h PRO 328 Cb 0.91 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1xsj h PRO 328 CO 0.38 0.20 -0.17 1.49 -0.21 0.00 0.00 178.00 179.69 1xsj h GLU 329 N 0.04 0.82 -0.10 1.05 4.81 -1.96 -0.36 114.58 118.88 1xsj h GLU 329 Ca 0.03 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1xsj h GLU 329 Cb 0.11 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1xsj h GLU 329 CO -0.00 0.93 0.05 0.78 -0.73 0.00 0.00 179.01 180.03 1xsj h GLY 330 N 0.96 0.16 0.73 1.92 0.00 -1.92 -1.35 103.07 103.57 1xsj h GLY 330 Ca 0.11 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.39 1xsj h GLY 330 CO 0.05 0.08 -0.04 1.98 0.00 0.00 0.00 176.54 178.60 1xsj h MET 331 N 0.03 -0.02 -0.35 4.80 1.85 -0.79 -0.36 114.93 120.09 1xsj h MET 331 Ca 0.03 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 59.00 1xsj h MET 331 Cb 0.13 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 1xsj h MET 331 CO -0.00 -0.01 -0.29 -0.84 -0.40 0.00 0.00 176.91 175.36 1xsj h ILE 332 N -0.02 1.28 -0.66 1.77 -0.00 -1.02 0.02 117.51 118.88 1xsj h ILE 332 Ca 0.06 -1.42 0.07 0.00 -0.00 0.00 0.00 64.86 63.57 1xsj h ILE 332 Cb 0.11 1.32 -0.06 0.00 -0.00 0.00 0.00 36.82 38.19 1xsj h ILE 332 CO -0.14 0.47 0.35 -0.09 -0.00 0.00 0.00 178.15 178.74 1xsj h ARG 333 N 0.63 0.61 -0.70 0.16 9.65 -0.94 0.97 114.38 124.78 1xsj h ARG 333 Ca 0.08 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.85 1xsj h ARG 333 Cb 0.81 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 1xsj h ARG 333 CO 0.07 0.41 0.15 0.00 2.80 0.00 0.00 179.97 183.40 1xsj h ARG 334 N 0.63 1.12 -0.02 0.20 3.08 -0.61 -2.61 114.38 116.18 1xsj h ARG 334 Ca 0.30 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1xsj h ARG 334 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1xsj h ARG 334 CO -0.21 1.00 -0.51 -0.07 -1.07 0.00 0.00 179.97 179.11 1xsj h LEU 335 N 1.06 0.05 -0.21 3.04 3.38 -0.01 -3.18 115.31 119.44 1xsj h LEU 335 Ca 0.22 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.96 1xsj h LEU 335 Cb 0.39 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xsj h LEU 335 CO 0.01 0.55 -0.93 0.50 0.09 0.00 0.00 178.44 178.66 1xsj h LYS 336 N 0.03 0.20 -0.95 1.13 1.63 -0.63 -3.21 116.57 114.77 1xsj h LYS 336 Ca -0.00 -0.24 0.18 0.00 -0.85 0.00 0.00 60.65 59.74 1xsj h LYS 336 Cb 0.92 0.07 -0.11 0.00 -0.60 0.00 0.00 32.23 32.52 1xsj h LYS 336 CO 0.07 1.00 0.54 0.00 -3.45 0.00 0.00 179.45 177.61 1xsj h ALA 337 N 0.91 1.54 0.00 5.00 0.00 -1.45 0.36 119.26 125.63 1xsj h ALA 337 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xsj h ALA 337 Cb 1.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1xsj h ALA 337 CO 0.14 -0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.93 1xsj n LYS 338 N -4.83 0.45 0.00 0.00 5.02 -1.21 -4.81 118.16 112.78 1xsj n LYS 338 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1xsj n LYS 338 Cb 0.55 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 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 0.01 3.11 3.52 0.72 0.00 0.13 -5.02 105.19 107.66 1xsj n GLY 339 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xsj n GLY 339 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xsj n LEU 340 N 0.00 1.39 -4.91 0.99 4.77 -1.25 -5.01 117.00 112.98 1xsj n LEU 340 Ca 0.00 0.88 -0.30 0.00 -0.03 0.00 0.00 56.01 56.55 1xsj n LEU 340 Cb 0.00 -1.23 -0.04 0.00 -2.33 0.00 0.00 43.42 39.82 1xsj n LEU 340 CO 0.00 -2.44 0.03 -0.54 -1.33 0.00 0.00 177.39 173.12 1xsj s LYS 341 N -2.00 3.59 -0.15 3.23 -0.14 0.53 -4.62 119.74 120.19 1xsj s LYS 341 Ca 0.67 -0.16 0.01 0.00 -1.36 0.00 0.00 55.97 55.13 1xsj s LYS 341 Cb -0.52 -2.84 -0.00 0.00 -1.68 0.00 0.00 37.83 32.79 1xsj s LYS 341 CO 0.55 0.44 -0.17 0.42 -0.76 0.00 0.00 175.35 175.84 1xsj s ILE 342 N -1.73 2.56 0.01 2.17 1.09 -1.26 -0.46 121.20 123.58 1xsj s ILE 342 Ca 0.40 -0.81 0.04 0.00 -1.10 0.00 0.00 60.65 59.19 1xsj s ILE 342 Cb -0.12 -2.07 -0.03 0.00 -1.06 0.00 0.00 42.46 39.18 1xsj s ILE 342 CO 0.26 0.52 -0.11 0.00 -0.10 0.00 0.00 174.94 175.52 1xsj s VAL 344 N -0.95 1.28 0.16 0.00 -7.23 -1.17 -0.65 120.40 111.84 1xsj s VAL 344 Ca 0.16 -1.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 1xsj s VAL 344 Cb -0.11 -1.15 -0.08 0.00 0.56 0.00 0.00 36.38 35.60 1xsj s VAL 344 CO 0.06 0.03 1.30 0.86 -0.31 0.00 0.00 175.10 177.05 1xsj s TRP 345 N -0.88 3.29 0.18 2.82 -0.00 -0.00 -1.52 118.94 122.82 1xsj s TRP 345 Ca 0.03 1.19 0.02 0.00 -0.00 0.00 0.00 56.10 57.34 1xsj s TRP 345 Cb -0.08 -3.58 -0.05 0.00 -0.00 0.00 0.00 33.47 29.76 1xsj s TRP 345 CO 0.02 -1.86 -0.00 0.96 -0.00 0.00 0.00 176.95 176.06 1xsj s ILE 346 N 0.42 0.72 0.31 5.86 -4.36 -0.51 -4.90 121.20 118.73 1xsj s ILE 346 Ca 0.58 -1.99 -0.09 0.00 -0.26 0.00 0.00 60.65 58.89 1xsj s ILE 346 Cb -0.35 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.24 1xsj s ILE 346 CO 0.35 -0.48 0.53 0.54 0.24 0.00 0.00 174.94 176.13 1xsj s ASN 347 N -3.18 0.30 -0.38 4.36 4.22 -1.26 -2.34 114.94 116.67 1xsj s ASN 347 Ca 0.24 -1.17 0.06 0.00 -2.14 0.00 0.00 52.86 49.85 1xsj s ASN 347 Cb 0.06 0.66 0.68 0.00 1.28 0.00 0.00 41.25 43.93 1xsj s ASN 347 CO 0.04 -1.29 1.83 -0.81 -2.04 0.00 0.00 177.10 174.83 1xsj n PRO 348 N -0.48 2.89 -4.48 3.55 -0.04 -1.26 -4.85 135.00 130.33 1xsj n PRO 348 Ca -0.02 -2.92 -0.24 0.00 -0.04 0.00 0.00 63.50 60.29 1xsj n PRO 348 Cb 0.61 -2.16 -0.10 0.00 -0.04 0.00 0.00 33.50 31.81 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 -3.03 2.19 -0.06 0.54 2.02 -1.26 -1.92 117.35 115.83 1xsj s TYR 349 Ca 0.54 -0.51 -0.03 0.00 -0.37 0.00 0.00 57.07 56.70 1xsj s TYR 349 Cb 0.44 -1.15 0.04 0.00 -0.40 0.00 0.00 41.96 40.89 1xsj s TYR 349 CO 0.12 0.52 0.13 -1.50 -1.57 0.00 0.00 175.55 173.26 1xsj s ILE 350 N -2.72 -0.05 0.38 2.71 2.07 -0.34 -3.85 121.20 119.39 1xsj s ILE 350 Ca 0.30 0.19 -0.25 0.00 -1.41 0.00 0.00 60.65 59.48 1xsj s ILE 350 Cb 0.00 -0.23 -0.09 0.00 0.13 0.00 0.00 42.46 42.28 1xsj s ILE 350 CO 0.14 0.08 1.10 -0.83 -1.91 0.00 0.00 174.94 173.52 1xsj s GLY 351 N 1.19 2.84 0.54 1.50 0.00 -1.12 -0.66 107.32 111.61 1xsj s GLY 351 Ca -0.09 0.84 0.20 0.00 0.00 0.00 0.00 44.72 45.67 1xsj s GLY 351 CO -0.06 1.33 2.16 -1.61 0.00 0.00 0.00 173.10 174.92 1xsj h GLN 352 N 2.75 0.00 0.00 2.90 4.15 -1.29 -2.62 115.11 121.00 1xsj h GLN 352 Ca -0.48 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 1xsj h GLN 352 Cb 1.22 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 1xsj h GLN 352 CO 0.63 0.00 -0.02 -0.22 -1.93 0.00 0.00 178.83 177.29 1xsj h LYS 353 N 0.00 0.00 -6.81 1.69 3.64 -1.77 -3.44 116.57 109.88 1xsj h LYS 353 Ca 0.03 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.88 1xsj h LYS 353 Cb 0.11 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1xsj h LYS 353 CO -0.00 0.02 0.71 0.45 -2.27 0.00 0.00 179.45 178.36 1xsj s SER 354 N -6.43 6.70 0.65 4.20 0.15 -0.99 -4.88 113.70 113.09 1xsj s SER 354 Ca -0.05 2.68 0.43 0.00 0.70 0.00 0.00 55.95 59.71 1xsj s SER 354 Cb 0.15 -2.64 2.27 0.00 -1.71 0.00 0.00 66.02 64.10 1xsj s SER 354 CO 0.59 -0.64 2.32 -0.65 1.20 0.00 0.00 173.24 176.06 1xsj h PRO 355 N 4.28 0.00 0.00 5.44 0.11 -1.91 -1.30 132.00 138.62 1xsj h PRO 355 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1xsj h PRO 355 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1xsj h PRO 355 CO 0.72 0.00 -0.24 0.28 -0.21 0.00 0.00 178.00 178.56 1xsj h VAL 356 N 0.00 0.46 -0.29 3.15 2.07 -1.93 -3.32 116.25 116.38 1xsj h VAL 356 Ca -0.00 -1.39 0.04 0.00 0.82 0.00 0.00 66.70 66.16 1xsj h VAL 356 Cb 0.08 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1xsj h VAL 356 CO 0.00 0.23 0.07 0.15 0.02 0.00 0.00 177.57 178.04 1xsj h PHE 357 N 0.00 0.11 -0.44 1.57 3.04 -1.53 -1.00 116.94 118.69 1xsj h PHE 357 Ca -0.00 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.01 1xsj h PHE 357 Cb 1.00 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.46 1xsj h PHE 357 CO 0.00 0.03 0.19 -0.22 -2.02 0.00 0.00 178.31 176.30 1xsj h LYS 358 N 0.18 0.38 -0.76 1.11 3.64 -1.74 0.11 116.57 119.49 1xsj h LYS 358 Ca 0.13 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.61 1xsj h LYS 358 Cb 0.13 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 1xsj h LYS 358 CO -0.17 0.25 0.37 1.49 -2.27 0.00 0.00 179.45 179.12 1xsj h GLU 359 N 0.39 0.57 -0.20 1.90 4.81 -1.57 0.15 114.58 120.63 1xsj h GLU 359 Ca 0.20 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.18 1xsj h GLU 359 Cb 0.15 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.41 1xsj h GLU 359 CO -0.17 0.38 -0.70 -0.07 -0.73 0.00 0.00 179.01 177.72 1xsj h LEU 360 N 0.59 0.96 -0.32 1.64 3.38 0.05 -1.67 115.31 119.94 1xsj h LEU 360 Ca 0.39 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xsj h LEU 360 Cb 0.49 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xsj h LEU 360 CO -0.32 1.39 0.19 -0.61 0.09 0.00 0.00 178.44 179.19 1xsj h GLN 361 N 0.58 0.43 -0.39 1.13 4.15 -0.46 -0.43 115.11 120.13 1xsj h GLN 361 Ca -0.03 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 1xsj h GLN 361 Cb 1.32 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 1xsj h GLN 361 CO 0.15 0.33 0.03 0.93 -1.93 0.00 0.00 178.83 178.34 1xsj h GLU 362 N 0.41 0.60 0.00 1.69 5.08 -0.92 -2.23 114.58 119.22 1xsj h GLU 362 Ca 0.11 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xsj h GLU 362 Cb 0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1xsj h GLU 362 CO -0.02 0.60 0.00 0.87 -1.00 0.00 0.00 179.01 179.46 1xsj h LYS 363 N 0.58 0.00 -0.25 2.33 1.57 -1.03 -3.47 116.57 116.30 1xsj h LYS 363 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1xsj h LYS 363 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1xsj h LYS 363 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 1xsj n GLY 364 N 1.11 0.57 0.14 3.86 0.00 -0.25 -4.95 105.19 105.66 1xsj n GLY 364 Ca 0.05 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.51 0.00 -4.01 1.61 4.01 -0.74 -4.93 117.16 109.60 1xsj n TYR 365 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 1xsj n TYR 365 Cb 0.48 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 39.28 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 -2.72 4.03 0.19 7.72 1.43 -1.26 -1.12 118.68 126.94 1xsj s LEU 366 Ca 0.18 0.13 -0.33 0.00 -1.03 0.00 0.00 54.13 53.08 1xsj s LEU 366 Cb 0.18 -2.62 -0.13 0.00 0.03 0.00 0.00 46.19 43.65 1xsj s LEU 366 CO 0.60 0.19 1.59 -0.11 0.23 0.00 0.00 176.35 178.86 1xsj n LEU 367 N 0.54 3.36 -4.65 1.79 7.94 0.42 -4.73 117.00 121.68 1xsj n LEU 367 Ca -0.08 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.61 1xsj n LEU 367 Cb 0.52 -1.47 -0.08 0.00 0.53 0.00 0.00 43.42 42.91 1xsj n LEU 367 CO 0.46 -0.18 -0.36 -0.54 -1.11 0.00 0.00 177.39 175.66 1xsj s LYS 368 N 0.75 2.38 0.74 1.96 1.02 -1.26 -1.81 119.74 123.52 1xsj s LYS 368 Ca 0.76 -0.96 -0.11 0.00 0.02 0.00 0.00 55.97 55.69 1xsj s LYS 368 Cb -0.63 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1xsj s LYS 368 CO 0.38 0.51 1.08 1.03 -0.92 0.00 0.00 175.35 177.43 1xsj s ARG 369 N -2.42 2.56 0.55 1.68 0.52 -0.43 -0.93 118.95 120.47 1xsj s ARG 369 Ca 0.25 1.09 0.30 0.00 -0.52 0.00 0.00 55.73 56.85 1xsj s ARG 369 Cb -0.11 -1.94 1.47 0.00 0.52 0.00 0.00 34.95 34.89 1xsj s ARG 369 CO 0.17 -1.40 1.90 -1.35 0.02 0.00 0.00 175.30 174.63 1xsj h PRO 370 N -0.91 0.00 0.00 3.54 0.11 -1.83 -1.63 132.00 131.28 1xsj h PRO 370 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xsj h PRO 370 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xsj h PRO 370 CO 0.54 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 1xsj n ASP 371 N -4.16 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.87 1xsj n ASP 371 Ca 0.16 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 1xsj n ASP 371 Cb 0.87 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 1xsj n ASP 371 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsj n GLY 372 N 0.86 1.41 3.80 6.12 0.00 -0.61 -5.07 105.19 111.69 1xsj n GLY 372 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.36 4.46 0.22 1.61 1.04 -1.26 -4.83 113.70 112.58 1xsj s SER 373 Ca 0.00 1.35 -0.30 0.00 0.48 0.00 0.00 55.95 57.48 1xsj s SER 373 Cb 0.00 -2.08 -0.09 0.00 0.10 0.00 0.00 66.02 63.95 1xsj s SER 373 CO 0.00 -2.00 1.15 -0.76 0.98 0.00 0.00 173.24 172.61 1xsj s LEU 374 N -5.80 4.49 -0.05 2.42 1.43 -1.26 -1.32 118.68 118.59 1xsj s LEU 374 Ca 0.61 2.24 -0.30 0.00 -1.03 0.00 0.00 54.13 55.65 1xsj s LEU 374 Cb -0.15 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 1xsj s LEU 374 CO 0.54 -0.26 1.40 0.86 0.23 0.00 0.00 176.35 179.13 1xsj s TRP 375 N -0.55 2.71 0.04 0.29 -0.00 -0.75 -4.64 118.94 116.04 1xsj s TRP 375 Ca 0.49 0.77 -0.02 0.00 -0.00 0.00 0.00 56.10 57.34 1xsj s TRP 375 Cb -0.32 -3.66 -0.02 0.00 -0.00 0.00 0.00 33.47 29.47 1xsj s TRP 375 CO 0.39 -2.47 0.01 -0.65 -0.00 0.00 0.00 176.95 174.23 1xsj s GLN 376 N 2.94 0.51 0.19 5.86 -0.21 -1.26 -4.45 119.66 123.24 1xsj s GLN 376 Ca 0.63 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 55.12 1xsj s GLN 376 Cb -0.29 0.18 0.01 0.00 1.00 0.00 0.00 33.01 33.91 1xsj s GLN 376 CO 0.24 -0.10 0.28 -2.67 -2.12 0.00 0.00 175.29 170.92 1xsj n TRP 377 N 0.81 -1.07 -0.13 0.91 2.14 -1.07 -4.96 117.44 114.07 1xsj n TRP 377 Ca -0.19 -1.26 0.06 0.00 2.07 0.00 0.00 57.50 58.18 1xsj n TRP 377 Cb 0.58 0.32 0.15 0.00 -0.81 0.00 0.00 31.31 31.55 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 -1.80 2.86 -4.79 -0.67 8.00 -1.26 -0.22 116.55 118.67 1xsj n ASP 378 Ca -0.00 -1.96 -0.36 0.00 0.71 0.00 0.00 54.79 53.18 1xsj n ASP 378 Cb 0.32 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.00 4.31 0.00 -1.24 1.02 -1.26 -4.31 119.74 117.26 1xsj s LYS 379 Ca 0.23 1.37 0.00 0.00 0.02 0.00 0.00 55.97 57.58 1xsj s LYS 379 Cb 0.12 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1xsj s LYS 379 CO 0.16 0.02 0.00 1.87 -0.92 0.00 0.00 175.35 176.48 1xsj n TRP 380 N 0.01 0.00 -4.27 3.18 -0.00 -1.26 -4.73 117.44 110.37 1xsj n TRP 380 Ca 0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 57.50 57.33 1xsj n TRP 380 Cb 0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.70 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 1.08 0.20 5.87 -1.52 -1.26 -5.00 119.66 119.02 1xsj s GLN 381 Ca 0.00 -1.17 -0.31 0.00 -1.95 0.00 0.00 55.36 51.93 1xsj s GLN 381 Cb 0.00 -1.22 -0.09 0.00 -0.22 0.00 0.00 33.01 31.47 1xsj s GLN 381 CO 0.00 0.27 1.44 -2.14 -0.25 0.00 0.00 175.29 174.62 1xsj s PRO 382 N -2.10 4.28 -1.46 2.91 0.02 -1.26 -2.91 135.00 134.48 1xsj s PRO 382 Ca 0.07 2.24 -0.06 0.00 0.02 0.00 0.00 61.00 63.27 1xsj s PRO 382 Cb -0.09 -3.16 0.03 0.00 0.02 0.00 0.00 34.50 31.30 1xsj s PRO 382 CO 0.04 -0.44 0.53 0.41 -0.33 0.00 0.00 177.00 177.21 1xsj n GLY 383 N 2.83 -0.51 3.73 0.52 0.00 -1.16 -1.78 105.19 108.83 1xsj n GLY 383 Ca 0.09 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.87 4.14 -4.58 0.99 0.00 0.69 -3.14 117.00 111.23 1xsj n LEU 384 Ca -0.09 1.10 -0.25 0.00 0.00 0.00 0.00 56.01 56.78 1xsj n LEU 384 Cb 0.60 -1.58 -0.09 0.00 0.00 0.00 0.00 43.42 42.34 1xsj n LEU 384 CO 0.47 0.16 -0.36 0.00 0.00 0.00 0.00 177.39 177.66 1xsj s ALA 385 N 0.62 3.05 -0.09 1.96 0.00 0.17 -2.60 121.76 124.88 1xsj s ALA 385 Ca 0.70 -1.97 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1xsj s ALA 385 Cb -0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1xsj s ALA 385 CO 0.40 0.12 -0.15 0.42 0.00 0.00 0.00 175.76 176.54 1xsj s ILE 386 N -2.53 2.91 0.10 0.00 1.01 -1.26 -1.20 121.20 120.23 1xsj s ILE 386 Ca 0.33 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 59.93 1xsj s ILE 386 Cb -0.00 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.21 1xsj s ILE 386 CO 0.18 0.56 1.54 -0.31 0.00 0.00 0.00 174.94 176.91 1xsj s TYR 387 N -0.17 2.85 -0.69 3.97 1.51 -0.81 -0.44 117.35 123.57 1xsj s TYR 387 Ca -0.01 0.61 -0.23 0.00 -1.01 0.00 0.00 57.07 56.43 1xsj s TYR 387 Cb -0.13 -3.86 0.07 0.00 -0.11 0.00 0.00 41.96 37.92 1xsj s TYR 387 CO 0.03 -3.25 1.04 0.34 -1.11 0.00 0.00 175.55 172.60 1xsj s ASP 388 N 1.66 6.20 0.00 2.29 -1.08 -0.28 -4.75 116.67 120.72 1xsj s ASP 388 Ca 0.70 -0.96 0.23 0.00 -0.52 0.00 0.00 52.55 52.00 1xsj s ASP 388 Cb -0.39 -2.45 1.28 0.00 -1.46 0.00 0.00 42.92 39.90 1xsj s ASP 388 CO 0.31 -1.50 1.84 0.49 0.52 0.00 0.00 175.17 176.83 1xsj n PHE 389 N 7.97 0.03 1.13 -5.34 0.99 -1.26 -1.90 117.46 119.08 1xsj n PHE 389 Ca -0.01 -0.01 0.13 0.00 -0.00 0.00 0.00 57.45 57.56 1xsj n PHE 389 Cb 0.46 0.00 0.35 0.00 -1.00 0.00 0.00 39.48 39.30 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 -0.62 0.00 -3.07 4.37 -2.24 -1.26 -4.76 114.28 106.70 1xsj n THR 390 Ca 0.17 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 1xsj n THR 390 Cb 0.14 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.75 6.42 0.41 3.42 3.84 -0.80 -4.27 114.94 121.20 1xsj s ASN 391 Ca 0.18 0.03 0.11 0.00 0.21 0.00 0.00 52.86 53.39 1xsj s ASN 391 Cb 0.18 -2.34 0.93 0.00 -0.55 0.00 0.00 41.25 39.48 1xsj s ASN 391 CO 0.60 -0.70 1.96 -0.65 -2.79 0.00 0.00 177.10 175.52 1xsj h PRO 392 N 8.63 0.51 -0.11 0.43 0.10 -1.86 -2.11 132.00 137.59 1xsj h PRO 392 Ca -0.26 -0.03 -0.21 0.00 0.10 0.00 0.00 66.00 65.60 1xsj h PRO 392 Cb 1.10 -0.12 0.01 0.00 0.10 0.00 0.00 31.00 32.09 1xsj h PRO 392 CO 0.88 0.34 -0.79 -0.44 0.10 0.00 0.00 178.00 178.09 1xsj h ASP 393 N 0.53 0.78 -0.53 -2.05 3.32 -1.93 -2.56 116.42 113.97 1xsj h ASP 393 Ca 0.31 -0.52 0.02 0.00 0.02 0.00 0.00 57.03 56.86 1xsj h ASP 393 Cb 0.51 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1xsj h ASP 393 CO -0.10 1.30 0.33 0.00 -1.72 0.00 0.00 179.24 179.05 1xsj h ALA 394 N 0.68 0.68 -0.22 3.45 0.00 -1.70 -0.71 119.26 121.43 1xsj h ALA 394 Ca -0.05 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1xsj h ALA 394 Cb 1.40 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1xsj h ALA 394 CO 0.15 0.05 -0.09 0.00 0.00 0.00 0.00 179.25 179.36 1xsj h LYS 396 N -0.06 0.38 -0.14 0.00 3.64 -1.22 0.21 116.57 119.38 1xsj h LYS 396 Ca 0.12 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1xsj h LYS 396 Cb 0.24 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1xsj h LYS 396 CO -0.26 0.25 0.00 2.35 -2.27 0.00 0.00 179.45 179.52 1xsj h TRP 397 N 0.39 -0.00 -0.36 1.91 7.01 -0.77 -0.21 115.95 123.92 1xsj h TRP 397 Ca 0.16 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 1xsj h TRP 397 Cb 0.06 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 1xsj h TRP 397 CO -0.10 -0.02 0.14 -0.92 -2.79 0.00 0.00 178.44 174.75 1xsj h TYR 398 N 0.05 0.55 -0.96 2.65 3.20 -0.54 -2.48 116.97 119.44 1xsj h TYR 398 Ca 0.07 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1xsj h TYR 398 Cb 0.08 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 1xsj h TYR 398 CO -0.15 0.51 0.63 0.00 -1.64 0.00 0.00 178.16 177.52 1xsj h ALA 399 N 0.98 1.25 -0.60 1.82 0.00 -0.29 -2.03 119.26 120.39 1xsj h ALA 399 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1xsj h ALA 399 Cb 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xsj h ALA 399 CO -0.01 0.55 0.06 -0.44 0.00 0.00 0.00 179.25 179.41 1xsj h ASP 400 N 1.25 0.96 -0.73 0.00 3.32 -0.92 0.14 116.42 120.45 1xsj h ASP 400 Ca 0.37 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1xsj h ASP 400 Cb -0.06 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.18 1xsj h ASP 400 CO -0.10 0.98 0.44 0.11 -1.72 0.00 0.00 179.24 178.96 1xsj h LYS 401 N 0.94 0.82 -0.37 3.56 1.79 -1.01 -0.56 116.57 121.74 1xsj h LYS 401 Ca 0.18 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.47 1xsj h LYS 401 Cb 0.46 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1xsj h LYS 401 CO 0.02 0.54 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.57 1xsj h LEU 402 N 0.84 0.82 -1.02 2.94 3.38 -0.59 -2.26 115.31 119.43 1xsj h LEU 402 Ca 0.31 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1xsj h LEU 402 Cb 0.09 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1xsj h LEU 402 CO -0.14 1.05 0.66 0.11 0.09 0.00 0.00 178.44 180.21 1xsj h LYS 403 N 0.67 1.24 -0.83 1.13 1.57 -0.40 -0.93 116.57 119.02 1xsj h LYS 403 Ca 0.08 -0.07 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1xsj h LYS 403 Cb 0.83 -0.28 -0.09 0.00 0.08 0.00 0.00 32.23 32.77 1xsj h LYS 403 CO 0.07 0.82 0.42 0.78 -0.57 0.00 0.00 179.45 180.97 1xsj h GLY 404 N 1.28 1.32 1.46 3.86 0.00 -0.53 0.22 103.07 110.68 1xsj h GLY 404 Ca 0.39 -0.24 -0.20 0.00 0.00 0.00 0.00 47.33 47.28 1xsj h GLY 404 CO -0.12 -0.03 -0.77 1.41 0.00 0.00 0.00 176.54 177.03 1xsj h LEU 405 N 0.60 0.63 -0.33 3.11 3.38 -0.97 -3.04 115.31 118.70 1xsj h LEU 405 Ca 0.45 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xsj h LEU 405 Cb 0.62 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1xsj h LEU 405 CO -0.36 1.19 0.15 0.58 0.09 0.00 0.00 178.44 180.09 1xsj h VAL 406 N 0.35 1.17 0.00 1.22 2.07 -0.81 -2.01 116.25 118.25 1xsj h VAL 406 Ca -0.04 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1xsj h VAL 406 Cb 1.36 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1xsj h VAL 406 CO 0.14 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.91 1xsj h ALA 407 N 1.00 1.00 -0.00 1.67 0.00 -0.92 0.50 119.26 122.51 1xsj h ALA 407 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xsj h ALA 407 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xsj h ALA 407 CO -0.01 0.00 -0.22 -1.33 0.00 0.00 0.00 179.25 177.69 1xsj n MET 408 N -2.50 0.50 0.00 0.00 2.00 -0.92 -4.94 117.12 111.27 1xsj n MET 408 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.47 1xsj n MET 408 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.83 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 1.37 0.69 3.72 3.03 0.00 0.18 -4.67 105.19 109.50 1xsj n GLY 409 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 2.46 -0.10 1.61 1.01 -0.80 -4.67 120.40 117.91 1xsj s VAL 410 Ca 0.00 0.32 0.15 0.00 0.00 0.00 0.00 61.98 62.45 1xsj s VAL 410 Cb 0.00 -3.20 -0.20 0.00 0.00 0.00 0.00 36.38 32.98 1xsj s VAL 410 CO 0.00 0.02 0.65 0.47 0.00 0.00 0.00 175.10 176.24 1xsj n ASP 411 N 4.08 0.72 -3.72 3.32 8.00 -0.25 -4.32 116.55 124.38 1xsj n ASP 411 Ca 0.15 0.33 -0.08 0.00 0.71 0.00 0.00 54.79 55.90 1xsj n ASP 411 Cb 0.38 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.71 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 -3.74 1.77 -0.53 0.00 0.40 -1.25 -3.02 117.98 111.61 1xsj s PHE 413 Ca 0.08 -0.35 -0.23 0.00 -0.60 0.00 0.00 56.93 55.83 1xsj s PHE 413 Cb -0.04 -1.11 0.04 0.00 0.51 0.00 0.00 43.02 42.43 1xsj s PHE 413 CO 0.00 0.02 0.87 0.21 0.70 0.00 0.00 175.22 177.03 1xsj s LYS 414 N -0.77 3.30 -1.21 0.44 2.20 -0.57 -2.11 119.74 121.02 1xsj s LYS 414 Ca 0.07 -0.37 -0.15 0.00 -0.36 0.00 0.00 55.97 55.17 1xsj s LYS 414 Cb -0.08 -4.05 0.15 0.00 -1.51 0.00 0.00 37.83 32.34 1xsj s LYS 414 CO 0.00 -1.41 1.47 0.95 -0.36 0.00 0.00 175.35 176.01 1xsj s THR 415 N 3.65 4.86 0.70 3.43 -4.23 -0.45 -1.43 115.64 122.16 1xsj s THR 415 Ca 0.27 -2.45 -0.11 0.00 -1.18 0.00 0.00 61.69 58.22 1xsj s THR 415 Cb -0.14 -4.96 0.01 0.00 1.34 0.00 0.00 72.50 68.76 1xsj s THR 415 CO 0.18 -1.69 1.07 -0.62 -0.54 0.00 0.00 174.62 173.02 1xsj s ASP 416 N 3.12 5.44 0.97 3.99 -1.08 -0.99 -2.13 116.67 125.99 1xsj s ASP 416 Ca 0.44 1.35 0.00 0.00 -0.52 0.00 0.00 52.55 53.83 1xsj s ASP 416 Cb -0.02 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 1xsj s ASP 416 CO 0.01 -1.37 0.00 0.49 0.52 0.00 0.00 175.17 174.82 1xsj n PHE 417 N -3.06 -1.06 0.00 -5.34 3.01 -1.26 -4.41 117.46 105.35 1xsj n PHE 417 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1xsj n PHE 417 Cb 0.55 0.20 0.00 0.00 -0.01 0.00 0.00 39.48 40.23 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 0.66 0.14 1.37 0.00 -1.26 -4.08 105.19 102.01 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 -1.47 0.74 -2.19 1.61 0.00 -1.26 -4.19 120.64 113.87 1xsj n GLU 419 Ca 0.00 0.26 -0.42 0.00 0.00 0.00 0.00 57.16 57.00 1xsj n GLU 419 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 31.44 29.76 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 -3.49 3.79 -3.26 3.44 1.74 -1.26 -4.54 116.66 113.08 1xsj n ARG 420 Ca -0.34 -3.41 -0.40 0.00 -0.77 0.00 0.00 57.85 52.92 1xsj n ARG 420 Cb 1.02 -2.88 -0.08 0.00 -1.02 0.00 0.00 32.46 29.51 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 0.27 5.07 0.66 0.55 -1.09 -1.26 -5.06 121.20 120.34 1xsj s ILE 421 Ca 0.44 0.73 -0.13 0.00 -2.23 0.00 0.00 60.65 59.46 1xsj s ILE 421 Cb 0.12 -3.83 -0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1xsj s ILE 421 CO -0.02 0.04 1.07 -2.16 -1.23 0.00 0.00 174.94 172.63 1xsj s PRO 422 N 2.29 2.97 0.00 2.79 0.04 -1.26 -4.79 135.00 137.05 1xsj s PRO 422 Ca 0.20 1.14 0.16 0.00 0.04 0.00 0.00 61.00 62.53 1xsj s PRO 422 Cb -0.16 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 1xsj s PRO 422 CO 0.10 -1.08 0.70 0.25 0.04 0.00 0.00 177.00 177.01 1xsj n THR 423 N -2.67 0.00 -2.06 1.26 -2.24 -1.26 -4.70 114.28 102.61 1xsj n THR 423 Ca 0.09 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.28 1xsj n THR 423 Cb 0.53 1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 -1.07 7.53 -3.86 3.42 3.85 -1.26 -4.82 116.55 120.34 1xsj n ASP 424 Ca 0.04 -3.14 -0.11 0.00 -0.71 0.00 0.00 54.79 50.87 1xsj n ASP 424 Cb 0.26 -1.38 -0.06 0.00 -1.35 0.00 0.00 41.12 38.60 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 -0.93 0.00 -0.13 2.12 -7.23 -1.26 -4.55 120.40 108.42 1xsj s VAL 425 Ca 0.51 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1xsj s VAL 425 Cb 0.17 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.77 1xsj s VAL 425 CO -0.08 0.00 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.07 1xsj s GLN 426 N -3.81 1.46 0.44 4.82 0.74 -0.11 -4.68 119.66 118.52 1xsj s GLN 426 Ca 0.28 -0.32 -0.22 0.00 0.05 0.00 0.00 55.36 55.15 1xsj s GLN 426 Cb 0.01 -1.69 -0.10 0.00 1.10 0.00 0.00 33.01 32.33 1xsj s GLN 426 CO 0.12 -0.32 1.00 -1.58 -0.55 0.00 0.00 175.29 173.97 1xsj s TRP 427 N 1.70 3.21 0.27 1.67 0.52 -1.26 -4.04 118.94 121.00 1xsj s TRP 427 Ca 0.04 1.62 -0.00 0.00 0.02 0.00 0.00 56.10 57.77 1xsj s TRP 427 Cb -0.13 -3.00 0.56 0.00 -1.15 0.00 0.00 33.47 29.75 1xsj s TRP 427 CO -0.08 -0.46 1.74 0.35 0.02 0.00 0.00 176.95 178.52 1xsj h PHE 428 N 2.00 0.70 -0.09 -1.98 3.57 -1.94 -0.74 116.94 118.46 1xsj h PHE 428 Ca -0.49 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1xsj h PHE 428 Cb 1.20 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1xsj h PHE 428 CO 0.59 0.11 0.00 -0.40 -2.23 0.00 0.00 178.31 176.38 1xsj n ASP 429 N -4.93 0.89 -0.45 0.41 5.75 -1.26 -4.91 116.55 112.05 1xsj n ASP 429 Ca 0.18 -1.59 -0.06 0.00 -0.01 0.00 0.00 54.79 53.31 1xsj n ASP 429 Cb 0.48 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 1xsj n ASP 429 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsj n GLY 430 N 0.96 0.79 3.63 6.12 0.00 -0.28 -5.00 105.19 111.41 1xsj n GLY 430 Ca 0.15 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 0.07 1.11 -4.61 1.61 7.64 -1.26 -4.91 113.62 113.28 1xsj n SER 431 Ca -0.06 0.89 -0.43 0.00 1.01 0.00 0.00 58.87 60.28 1xsj n SER 431 Cb 0.29 -1.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.06 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 -1.05 5.61 0.54 6.43 -1.08 -0.07 -4.62 116.67 122.43 1xsj s ASP 432 Ca 0.71 1.99 0.25 0.00 -0.52 0.00 0.00 52.55 54.98 1xsj s ASP 432 Cb -0.45 -2.51 1.43 0.00 -1.46 0.00 0.00 42.92 39.92 1xsj s ASP 432 CO 0.50 -1.82 2.02 -0.65 0.52 0.00 0.00 175.17 175.74 1xsj h PRO 433 N 14.36 0.00 -0.02 4.34 0.11 -1.88 -0.24 132.00 148.67 1xsj h PRO 433 Ca -0.42 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 1xsj h PRO 433 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1xsj h PRO 433 CO 0.96 0.00 -0.45 1.96 -0.21 0.00 0.00 178.00 180.26 1xsj h GLN 434 N 0.00 0.05 0.05 1.05 1.08 -1.90 -2.79 115.11 112.65 1xsj h GLN 434 Ca 0.20 -0.02 -0.26 0.00 -1.45 0.00 0.00 58.65 57.12 1xsj h GLN 434 Cb 0.84 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 1xsj h GLN 434 CO -0.00 0.49 -1.31 0.87 -0.95 0.00 0.00 178.83 177.93 1xsj h LYS 435 N 0.04 0.10 0.00 1.46 1.57 -1.39 -3.33 116.57 115.02 1xsj h LYS 435 Ca -0.00 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1xsj h LYS 435 Cb 0.81 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1xsj h LYS 435 CO 0.06 0.96 -0.19 0.52 -0.57 0.00 0.00 179.45 180.23 1xsj h MET 436 N 0.03 0.00 -0.11 3.15 2.86 -1.05 -3.08 114.93 116.72 1xsj h MET 436 Ca -0.14 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1xsj h MET 436 Cb 1.91 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.53 1xsj h MET 436 CO 0.14 0.19 -0.09 1.25 1.06 0.00 0.00 176.91 179.46 1xsj h HIS 437 N 0.00 -0.23 0.19 -0.22 -0.00 -1.60 -1.49 115.15 111.80 1xsj h HIS 437 Ca -0.00 0.02 -0.26 0.00 -0.00 0.00 0.00 60.37 60.12 1xsj h HIS 437 Cb 0.63 0.12 0.03 0.00 -0.00 0.00 0.00 27.41 28.18 1xsj h HIS 437 CO 0.00 -0.14 -1.17 -0.91 -0.00 0.00 0.00 177.93 175.71 1xsj h ASN 438 N -0.11 0.62 0.68 3.26 2.35 -1.78 -3.36 115.58 117.24 1xsj h ASN 438 Ca 0.08 -0.93 -0.01 0.00 -0.55 0.00 0.00 56.30 54.88 1xsj h ASN 438 Cb 0.22 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1xsj h ASN 438 CO -0.18 1.56 -0.05 -0.74 -1.65 0.00 0.00 177.43 176.36 1xsj h HIS 439 N -0.14 0.00 -0.95 1.19 2.76 -1.49 -2.32 115.15 114.20 1xsj h HIS 439 Ca -0.21 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.05 1xsj h HIS 439 Cb 1.88 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.77 1xsj h HIS 439 CO 0.16 0.05 0.60 -0.92 -1.30 0.00 0.00 177.93 176.52 1xsj h TYR 440 N 0.00 1.09 -0.84 5.26 3.20 -1.42 -1.06 116.97 123.21 1xsj h TYR 440 Ca -0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1xsj h TYR 440 Cb 0.41 -0.35 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 1xsj h TYR 440 CO 0.00 0.51 0.53 0.00 -1.64 0.00 0.00 178.16 177.55 1xsj h ALA 441 N 1.47 1.13 0.03 1.82 0.00 -1.58 -0.79 119.26 121.34 1xsj h ALA 441 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1xsj h ALA 441 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xsj h ALA 441 CO -0.21 0.31 -0.05 -0.92 0.00 0.00 0.00 179.25 178.38 1xsj h TYR 442 N 0.99 -0.12 -0.47 0.00 3.20 -1.36 -2.32 116.97 116.89 1xsj h TYR 442 Ca 0.35 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.12 1xsj h TYR 442 Cb 0.10 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1xsj h TYR 442 CO -0.03 -0.08 -0.11 0.82 -1.64 0.00 0.00 178.16 177.12 1xsj h ILE 443 N -0.10 1.26 0.33 1.81 1.08 -0.92 0.31 117.51 121.28 1xsj h ILE 443 Ca 0.01 -1.21 -0.02 0.00 -0.39 0.00 0.00 64.86 63.25 1xsj h ILE 443 Cb 0.11 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1xsj h ILE 443 CO -0.03 0.42 -0.16 0.22 -0.69 0.00 0.00 178.15 177.91 1xsj h TYR 444 N 0.78 -0.42 -0.64 1.37 -0.00 -1.18 -1.87 116.97 115.01 1xsj h TYR 444 Ca 0.13 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.73 58.76 1xsj h TYR 444 Cb 0.62 0.14 -0.02 0.00 -0.00 0.00 0.00 36.73 37.47 1xsj h TYR 444 CO 0.04 -0.14 0.06 -0.91 -0.00 0.00 0.00 178.16 177.21 1xsj h ASN 445 N -0.65 1.05 -0.88 -2.11 2.35 -1.20 -1.96 115.58 112.18 1xsj h ASN 445 Ca -0.05 -0.27 0.11 0.00 -0.55 0.00 0.00 56.30 55.55 1xsj h ASN 445 Cb 0.46 -0.28 -0.08 0.00 0.05 0.00 0.00 38.32 38.48 1xsj h ASN 445 CO 0.08 1.06 0.51 -0.08 -1.65 0.00 0.00 177.43 177.34 1xsj h GLU 446 N 1.00 0.79 -0.27 0.81 4.81 -0.44 -0.67 114.58 120.61 1xsj h GLU 446 Ca 0.19 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1xsj h GLU 446 Cb 0.48 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1xsj h GLU 446 CO 0.02 0.52 -0.06 1.25 -0.73 0.00 0.00 179.01 180.01 1xsj h LEU 447 N 0.81 0.51 -0.40 1.64 6.46 -0.62 -1.51 115.31 122.20 1xsj h LEU 447 Ca 0.44 -0.36 -0.08 0.00 -0.12 0.00 0.00 57.88 57.76 1xsj h LEU 447 Cb 0.46 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1xsj h LEU 447 CO -0.28 0.75 -0.06 0.58 -0.62 0.00 0.00 178.44 178.81 1xsj h VAL 448 N 0.26 1.27 -0.29 1.05 2.07 -1.18 -2.68 116.25 116.76 1xsj h VAL 448 Ca 0.07 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.51 1xsj h VAL 448 Cb 0.52 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1xsj h VAL 448 CO 0.02 0.38 0.01 -0.25 0.02 0.00 0.00 177.57 177.75 1xsj h TRP 449 N 0.57 -0.00 -0.01 1.57 2.91 -1.02 -2.05 115.95 117.92 1xsj h TRP 449 Ca 0.11 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 1xsj h TRP 449 Cb 0.57 0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.26 1xsj h TRP 449 CO 0.05 -0.04 -0.04 -0.91 -1.03 0.00 0.00 178.44 176.46 1xsj h ASN 450 N 0.10 0.01 -0.28 2.65 2.35 -1.18 -0.25 115.58 118.98 1xsj h ASN 450 Ca 0.14 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1xsj h ASN 450 Cb 0.18 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1xsj h ASN 450 CO -0.22 0.06 0.14 0.58 -1.65 0.00 0.00 177.43 176.34 1xsj h VAL 451 N 0.02 1.15 0.25 2.81 2.07 -1.03 -1.46 116.25 120.06 1xsj h VAL 451 Ca 0.00 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1xsj h VAL 451 Cb 0.09 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1xsj h VAL 451 CO 0.01 0.15 -0.17 -0.07 0.02 0.00 0.00 177.57 177.50 1xsj h LEU 452 N 0.32 -0.44 -0.78 2.57 4.07 -1.09 -1.74 115.31 118.21 1xsj h LEU 452 Ca 0.10 0.03 0.18 0.00 0.08 0.00 0.00 57.88 58.26 1xsj h LEU 452 Cb 0.11 0.14 -0.11 0.00 1.08 0.00 0.00 40.66 41.87 1xsj h LEU 452 CO -0.01 -0.27 0.24 0.50 -1.08 0.00 0.00 178.44 177.81 1xsj h LYS 453 N -0.42 0.30 -0.00 1.13 3.64 -1.00 -0.10 116.57 120.13 1xsj h LYS 453 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xsj h LYS 453 Cb 0.36 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1xsj h LYS 453 CO 0.01 0.20 -0.08 -0.25 -2.27 0.00 0.00 179.45 177.06 1xsj n ASP 454 N -5.12 0.10 0.02 4.20 8.00 -0.56 -2.66 116.55 120.52 1xsj n ASP 454 Ca 0.16 0.28 -0.01 0.00 0.71 0.00 0.00 54.79 55.93 1xsj n ASP 454 Cb 0.51 -0.35 -0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.46 1.08 0.67 -3.53 -2.24 -0.46 -4.81 114.28 103.53 1xsj n THR 455 Ca 0.08 0.31 0.12 0.00 -2.27 0.00 0.00 64.05 62.29 1xsj n THR 455 Cb 0.33 -1.63 0.26 0.00 -2.10 0.00 0.00 70.33 67.19 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 -3.49 0.32 0.00 2.28 0.24 -0.18 -5.06 118.33 112.45 1xsj n VAL 456 Ca -0.02 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1xsj n VAL 456 Cb 0.08 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 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 1.37 1.31 0.29 7.63 0.00 -0.86 -4.52 105.19 110.41 1xsj n GLY 457 Ca 0.04 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.59 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 0.09 0.00 1.61 4.81 -1.80 0.14 114.58 119.43 1xsj h GLU 458 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xsj h GLU 458 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1xsj h GLU 458 CO 0.00 0.06 -0.04 0.93 -0.73 0.00 0.00 179.01 179.23 1xsj h GLU 459 N 0.10 0.00 -0.02 1.92 3.07 -1.91 -2.49 114.58 115.25 1xsj h GLU 459 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1xsj h GLU 459 Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1xsj h GLU 459 CO -0.72 0.04 -0.23 0.39 -1.40 0.00 0.00 179.01 177.08 1xsj n GLU 460 N -3.19 1.36 -2.54 2.33 -0.58 0.01 -3.65 120.64 114.40 1xsj n GLU 460 Ca -0.00 -0.98 -0.41 0.00 -0.42 0.00 0.00 57.16 55.34 1xsj n GLU 460 Cb 0.26 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.62 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 -2.31 3.35 -0.05 0.62 0.00 -0.94 -4.81 121.76 117.61 1xsj s ALA 461 Ca 0.26 0.78 -0.27 0.00 0.00 0.00 0.00 51.96 52.72 1xsj s ALA 461 Cb 0.19 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 20.02 1xsj s ALA 461 CO 0.46 -0.22 0.60 0.54 0.00 0.00 0.00 175.76 177.15 1xsj s VAL 462 N 0.04 0.01 0.30 0.00 0.11 -1.26 -4.44 120.40 115.16 1xsj s VAL 462 Ca 0.51 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.49 1xsj s VAL 462 Cb -0.28 -0.91 -0.06 0.00 -1.53 0.00 0.00 36.38 33.59 1xsj s VAL 462 CO 0.33 -0.05 0.06 -0.76 -3.33 0.00 0.00 175.10 171.35 1xsj s LEU 463 N -1.13 2.04 -0.36 2.54 1.43 -0.66 -3.86 118.68 118.67 1xsj s LEU 463 Ca -0.11 -1.36 0.02 0.00 -1.03 0.00 0.00 54.13 51.65 1xsj s LEU 463 Cb -0.01 -0.27 0.11 0.00 0.03 0.00 0.00 46.19 46.05 1xsj s LEU 463 CO 0.08 -0.63 0.12 0.12 0.23 0.00 0.00 176.35 176.27 1xsj s PHE 464 N -3.43 2.69 -0.13 0.29 5.36 -0.90 -3.94 117.98 117.93 1xsj s PHE 464 Ca 0.36 -2.49 -0.04 0.00 -0.96 0.00 0.00 56.93 53.81 1xsj s PHE 464 Cb 0.08 -2.33 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 1xsj s PHE 464 CO 0.14 -0.88 0.01 0.00 -1.46 0.00 0.00 175.22 173.04 1xsj s ALA 465 N 0.94 3.27 -0.08 11.12 0.00 0.14 -1.35 121.76 135.80 1xsj s ALA 465 Ca 0.12 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xsj s ALA 465 Cb -0.20 -1.63 -0.25 0.00 0.00 0.00 0.00 23.12 21.04 1xsj s ALA 465 CO -0.12 0.40 0.52 -2.13 0.00 0.00 0.00 175.76 174.43 1xsj n ARG 466 N 2.81 0.70 -4.41 0.00 0.63 -0.91 -2.15 116.66 113.34 1xsj n ARG 466 Ca -0.18 0.28 -0.26 0.00 -0.92 0.00 0.00 57.85 56.77 1xsj n ARG 466 Cb 0.53 -1.75 -0.09 0.00 0.45 0.00 0.00 32.46 31.59 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 -6.61 4.10 0.12 6.15 1.04 -1.26 -4.52 113.70 112.72 1xsj s SER 467 Ca -0.14 -1.21 -0.26 0.00 0.48 0.00 0.00 55.95 54.82 1xsj s SER 467 Cb 0.07 -0.44 0.07 0.00 0.10 0.00 0.00 66.02 65.82 1xsj s SER 467 CO 0.80 -0.45 0.90 0.00 0.98 0.00 0.00 173.24 175.47 1xsj s ALA 468 N -2.64 -1.67 0.27 5.32 0.00 -1.23 -4.92 121.76 116.89 1xsj s ALA 468 Ca 0.37 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 1xsj s ALA 468 Cb 0.06 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1xsj s ALA 468 CO 0.20 -0.93 0.70 0.45 0.00 0.00 0.00 175.76 176.18 1xsj s SER 469 N -2.80 -0.27 0.19 0.00 0.15 -1.26 -3.77 113.70 105.94 1xsj s SER 469 Ca 0.09 -0.59 -0.33 0.00 0.70 0.00 0.00 55.95 55.82 1xsj s SER 469 Cb -0.02 0.71 -0.13 0.00 -1.71 0.00 0.00 66.02 64.87 1xsj s SER 469 CO -0.02 -1.31 1.60 0.52 1.20 0.00 0.00 173.24 175.23 1xsj n VAL 470 N -0.45 0.12 0.00 4.45 0.31 -1.26 -1.43 118.33 120.06 1xsj n VAL 470 Ca -0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1xsj n VAL 470 Cb 0.60 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 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 3.40 1.71 0.03 2.92 0.00 -1.26 -4.61 105.19 107.39 1xsj n GLY 471 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.82 2.03 0.24 4.61 0.00 -0.52 -2.57 120.51 122.49 1xsj n ALA 472 Ca 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.54 1xsj n ALA 472 Cb 0.00 -1.39 0.81 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.50 115.11 111.74 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 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.92 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 -2.58 0.14 -3.12 0.06 5.02 -1.06 -3.79 118.16 112.84 1xsj n LYS 474 Ca -0.02 0.38 -0.27 0.00 -2.02 0.00 0.00 58.31 56.39 1xsj n LYS 474 Cb 0.09 -1.78 -0.05 0.00 -0.02 0.00 0.00 35.03 33.27 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 -2.04 3.66 -1.03 2.13 3.72 -0.56 -3.83 117.46 119.50 1xsj n PHE 475 Ca 0.02 -4.03 -0.29 0.00 -0.05 0.00 0.00 57.45 53.09 1xsj n PHE 475 Cb 0.21 -0.51 0.22 0.00 -0.94 0.00 0.00 39.48 38.46 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 -3.05 -0.77 -0.10 -1.08 0.04 -1.25 -4.71 135.00 124.08 1xsj s PRO 476 Ca 0.45 0.20 -0.07 0.00 0.04 0.00 0.00 61.00 61.63 1xsj s PRO 476 Cb 0.24 -1.62 0.03 0.00 0.04 0.00 0.00 34.50 33.18 1xsj s PRO 476 CO -0.09 -3.47 0.14 0.28 0.04 0.00 0.00 177.00 173.90 1xsj n VAL 477 N -4.64 -8.52 -4.51 -0.36 0.31 -1.25 -1.66 118.33 97.71 1xsj n VAL 477 Ca 0.09 1.55 -0.34 0.00 -0.01 0.00 0.00 64.34 65.64 1xsj n VAL 477 Cb 0.58 -5.20 -0.11 0.00 -0.91 0.00 0.00 33.84 28.20 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 -0.37 3.02 0.10 3.52 3.76 -1.22 0.24 115.29 124.34 1xsj s HIS 478 Ca -0.16 0.02 0.10 0.00 -0.15 0.00 0.00 55.06 54.87 1xsj s HIS 478 Cb 0.01 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 1xsj s HIS 478 CO 0.44 0.31 -0.26 1.67 -0.85 0.00 0.00 174.74 176.05 1xsj s TRP 479 N -0.64 2.33 -1.10 1.40 -2.14 -0.91 -0.71 118.94 117.16 1xsj s TRP 479 Ca 0.10 -0.39 0.00 0.00 2.66 0.00 0.00 56.10 58.47 1xsj s TRP 479 Cb -0.12 -1.31 0.00 0.00 -3.10 0.00 0.00 33.47 28.94 1xsj s TRP 479 CO 0.02 0.26 0.43 0.41 -2.66 0.00 0.00 176.95 175.41 1xsj n GLY 480 N 1.24 0.97 7.00 3.67 0.00 -0.33 -4.67 105.19 113.07 1xsj n GLY 480 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.13 -0.45 3.39 -0.02 0.00 -1.26 -4.64 105.19 102.33 1xsj n GLY 481 Ca 0.00 -1.09 -0.44 0.00 0.00 0.00 0.00 46.02 44.49 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 0.14 5.28 -4.47 1.61 8.00 -1.26 -4.63 116.55 121.22 1xsj n ASP 482 Ca 0.00 -3.00 -0.28 0.00 0.71 0.00 0.00 54.79 52.21 1xsj n ASP 482 Cb 0.00 -1.53 0.14 0.00 -0.02 0.00 0.00 41.12 39.71 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 -3.62 2.70 -1.42 0.00 2.02 -1.26 -0.86 117.35 114.90 1xsj s TYR 484 Ca 0.69 -0.20 -0.10 0.00 -0.37 0.00 0.00 57.07 57.08 1xsj s TYR 484 Cb -0.06 -1.28 0.07 0.00 -0.40 0.00 0.00 41.96 40.28 1xsj s TYR 484 CO 0.50 0.55 2.29 0.00 -1.57 0.00 0.00 175.55 177.31 1xsj n ALA 485 N -0.28 6.09 -3.27 3.71 0.00 -0.58 -4.41 120.51 121.77 1xsj n ALA 485 Ca -0.09 -3.98 -0.09 0.00 0.00 0.00 0.00 53.44 49.28 1xsj n ALA 485 Cb 0.56 -3.22 -0.05 0.00 0.00 0.00 0.00 19.45 16.75 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 1.84 -0.15 0.23 0.00 2.20 -1.26 -4.39 114.94 113.40 1xsj s ASN 486 Ca 0.50 -0.75 -0.08 0.00 -0.94 0.00 0.00 52.86 51.59 1xsj s ASN 486 Cb 0.14 0.59 0.21 0.00 -2.00 0.00 0.00 41.25 40.20 1xsj s ASN 486 CO -0.06 -1.12 1.91 1.88 -2.94 0.00 0.00 177.10 176.77 1xsj h TYR 487 N 2.23 1.13 -0.87 1.54 0.05 -1.90 -1.58 116.97 117.57 1xsj h TYR 487 Ca -0.26 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 1xsj h TYR 487 Cb 1.25 -0.38 -0.04 0.00 1.01 0.00 0.00 36.73 38.57 1xsj h TYR 487 CO 0.39 0.71 0.46 0.93 -1.05 0.00 0.00 178.16 179.60 1xsj h GLU 488 N 1.22 1.22 0.00 4.88 3.07 -1.94 -0.44 114.58 122.59 1xsj h GLU 488 Ca 0.33 -0.16 -0.17 0.00 -0.50 0.00 0.00 59.36 58.87 1xsj h GLU 488 Cb -0.14 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.51 1xsj h GLU 488 CO -0.07 0.91 -0.79 1.03 -1.40 0.00 0.00 179.01 178.69 1xsj h SER 489 N 1.22 0.00 -0.88 1.42 0.87 -1.74 -0.55 113.55 113.88 1xsj h SER 489 Ca 0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1xsj h SER 489 Cb 0.06 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 1xsj h SER 489 CO -0.05 0.79 0.47 -0.03 -0.53 0.00 0.00 176.83 177.49 1xsj h MET 490 N 0.00 1.24 -0.30 2.24 -1.53 -1.02 -1.23 114.93 114.34 1xsj h MET 490 Ca -0.01 -0.15 -0.13 0.00 -3.44 0.00 0.00 59.70 55.97 1xsj h MET 490 Cb 1.54 -0.24 -0.00 0.00 -0.55 0.00 0.00 31.60 32.35 1xsj h MET 490 CO 0.10 0.92 -0.31 0.00 0.14 0.00 0.00 176.91 177.76 1xsj h ALA 491 N 1.26 0.44 -0.38 0.39 0.00 -0.88 -2.14 119.26 117.93 1xsj h ALA 491 Ca 0.31 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1xsj h ALA 491 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xsj h ALA 491 CO -0.05 0.47 -0.10 1.05 0.00 0.00 0.00 179.25 180.62 1xsj h GLU 492 N 0.49 0.67 -0.24 0.00 4.11 -0.94 -1.82 114.58 116.84 1xsj h GLU 492 Ca 0.05 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 1xsj h GLU 492 Cb 0.89 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1xsj h GLU 492 CO 0.08 0.76 0.13 0.77 0.07 0.00 0.00 179.01 180.81 1xsj h SER 493 N 0.61 0.30 -0.69 3.06 0.02 -1.15 -1.99 113.55 113.72 1xsj h SER 493 Ca 0.11 -0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.09 1xsj h SER 493 Cb 0.54 -0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.91 1xsj h SER 493 CO 0.03 0.31 0.25 0.25 -1.14 0.00 0.00 176.83 176.53 1xsj h LEU 494 N 0.27 0.22 -0.77 5.07 5.85 -1.08 0.10 115.31 124.99 1xsj h LEU 494 Ca 0.08 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.99 1xsj h LEU 494 Cb 0.07 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 1xsj h LEU 494 CO -0.01 0.10 0.43 0.03 -0.34 0.00 0.00 178.44 178.65 1xsj h ARG 495 N 0.41 0.72 0.04 1.25 3.08 -0.87 -0.17 114.38 118.84 1xsj h ARG 495 Ca 0.37 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 1xsj h ARG 495 Cb 0.52 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1xsj h ARG 495 CO -0.37 0.48 -0.02 0.78 -1.07 0.00 0.00 179.97 179.77 1xsj h GLY 496 N 0.75 -0.06 0.28 0.04 0.00 -0.45 -1.01 103.07 102.62 1xsj h GLY 496 Ca 0.36 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.80 1xsj h GLY 496 CO -0.23 -0.02 0.01 -1.33 0.00 0.00 0.00 176.54 174.97 1xsj h GLY 497 N -0.11 0.46 0.79 4.60 0.00 -0.45 -0.62 103.07 107.74 1xsj h GLY 497 Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1xsj h GLY 497 CO 0.01 -0.11 0.25 1.41 0.00 0.00 0.00 176.54 178.09 1xsj h LEU 498 N 0.12 0.37 -0.49 3.11 3.38 -0.90 -2.88 115.31 118.02 1xsj h LEU 498 Ca 0.22 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1xsj h LEU 498 Cb 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1xsj h LEU 498 CO -0.37 0.26 0.09 0.28 0.09 0.00 0.00 178.44 178.80 1xsj h SER 499 N 0.49 0.76 -0.40 -0.43 0.02 -0.65 -1.57 113.55 111.77 1xsj h SER 499 Ca 0.20 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1xsj h SER 499 Cb 0.08 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1xsj h SER 499 CO -0.13 0.82 0.20 -0.29 -1.14 0.00 0.00 176.83 176.29 1xsj h ILE 500 N 0.68 1.15 -0.10 3.27 2.10 -1.04 -1.38 117.51 122.18 1xsj h ILE 500 Ca 0.15 -0.44 -0.14 0.00 1.08 0.00 0.00 64.86 65.51 1xsj h ILE 500 Cb 0.37 0.60 -0.01 0.00 -1.09 0.00 0.00 36.82 36.69 1xsj h ILE 500 CO 0.01 0.18 -0.55 1.23 -1.08 0.00 0.00 178.15 177.94 1xsj h GLY 501 N 0.73 0.32 1.23 8.18 0.00 -1.27 -1.53 103.07 110.72 1xsj h GLY 501 Ca 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1xsj h GLY 501 CO -0.02 0.34 0.00 1.04 0.00 0.00 0.00 176.54 177.90 1xsj n LEU 502 N -3.92 0.00 -0.44 3.11 4.77 -0.60 -3.06 117.00 116.85 1xsj n LEU 502 Ca -0.02 0.11 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1xsj n LEU 502 Cb 0.58 -0.11 0.17 0.00 -2.33 0.00 0.00 43.42 41.72 1xsj n LEU 502 CO 0.44 -0.02 0.62 -1.20 -1.33 0.00 0.00 177.39 175.90 1xsj n SER 503 N -1.11 2.95 0.00 -1.43 7.64 -0.67 -4.63 113.62 116.37 1xsj n SER 503 Ca 0.16 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.27 1xsj n SER 503 Cb 0.13 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.71 0.74 3.65 0.23 0.00 -1.10 -4.93 105.19 103.08 1xsj n GLY 504 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 3.26 -0.13 1.61 0.08 -0.67 -4.69 117.98 115.45 1xsj s PHE 505 Ca 0.00 0.10 0.17 0.00 0.12 0.00 0.00 56.93 57.31 1xsj s PHE 505 Cb 0.00 -2.03 -0.10 0.00 -0.57 0.00 0.00 43.02 40.31 1xsj s PHE 505 CO 0.00 0.22 0.93 0.78 -0.10 0.00 0.00 175.22 177.05 1xsj h GLY 506 N 6.42 0.00 -5.91 4.36 0.00 -1.87 -3.33 103.07 102.74 1xsj h GLY 506 Ca -0.39 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.65 1xsj h GLY 506 CO 0.68 0.00 -0.73 -1.36 0.00 0.00 0.00 176.54 175.12 1xsj s PHE 507 N -2.94 0.16 -0.24 5.60 0.08 -1.26 -2.02 117.98 117.36 1xsj s PHE 507 Ca -0.02 0.01 -0.14 0.00 0.12 0.00 0.00 56.93 56.90 1xsj s PHE 507 Cb 0.09 -0.19 0.07 0.00 -0.57 0.00 0.00 43.02 42.41 1xsj s PHE 507 CO 0.80 -0.05 0.58 -0.46 -0.10 0.00 0.00 175.22 176.00 1xsj s TRP 508 N 0.43 -0.88 0.44 0.36 -0.00 -1.26 -3.41 118.94 114.63 1xsj s TRP 508 Ca -0.04 1.80 0.04 0.00 -0.00 0.00 0.00 56.10 57.90 1xsj s TRP 508 Cb -0.06 0.48 -0.05 0.00 -0.00 0.00 0.00 33.47 33.84 1xsj s TRP 508 CO -0.01 -0.45 0.02 0.45 -0.00 0.00 0.00 176.95 176.96 1xsj s SER 509 N 1.46 3.73 0.02 5.86 0.15 0.11 -3.41 113.70 121.62 1xsj s SER 509 Ca -0.09 -1.50 -0.24 0.00 0.70 0.00 0.00 55.95 54.82 1xsj s SER 509 Cb -0.06 0.03 0.06 0.00 -1.71 0.00 0.00 66.02 64.34 1xsj s SER 509 CO -0.16 -0.65 0.55 -1.38 1.20 0.00 0.00 173.24 172.80 1xsj s HIS 510 N -2.87 -0.48 -0.49 3.44 -3.43 -1.26 -1.18 115.29 109.02 1xsj s HIS 510 Ca 0.24 0.63 -0.28 0.00 -0.80 0.00 0.00 55.06 54.85 1xsj s HIS 510 Cb 0.06 0.35 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 1xsj s HIS 510 CO 0.12 -0.63 1.56 -0.51 -2.00 0.00 0.00 174.74 173.28 1xsj s ASP 511 N -1.75 5.99 0.08 7.38 -0.00 -1.26 -4.29 116.67 122.81 1xsj s ASP 511 Ca -0.07 0.61 -0.31 0.00 -0.00 0.00 0.00 52.55 52.78 1xsj s ASP 511 Cb -0.01 -2.54 -0.09 0.00 -0.00 0.00 0.00 42.92 40.28 1xsj s ASP 511 CO 0.01 -1.75 1.83 -0.63 -0.00 0.00 0.00 175.17 174.63 1xsj s ILE 512 N 6.55 2.83 0.00 0.77 1.01 -0.35 -0.73 121.20 131.28 1xsj s ILE 512 Ca 0.62 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1xsj s ILE 512 Cb -0.14 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1xsj s ILE 512 CO 0.28 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1xsj n GLY 513 N 4.28 0.77 0.00 6.18 0.00 -1.26 -4.20 105.19 110.96 1xsj n GLY 513 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.95 0.05 -0.02 0.00 0.09 -4.27 105.19 98.09 1xsj n GLY 514 Ca 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 -3.24 1.61 3.04 -1.62 -3.43 116.94 113.31 1xsj h PHE 515 Ca 0.00 0.00 -0.58 0.00 3.98 0.00 0.00 57.97 61.37 1xsj h PHE 515 Cb 0.00 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.45 1xsj h PHE 515 CO 0.00 0.00 -0.12 -2.00 -2.02 0.00 0.00 178.31 174.17 1xsj s GLU 516 N -1.63 4.22 0.00 1.11 2.56 -0.04 -0.49 118.70 124.42 1xsj s GLU 516 Ca -0.02 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.47 1xsj s GLU 516 Cb 0.00 -3.34 0.00 0.00 2.00 0.00 0.00 34.13 32.79 1xsj s GLU 516 CO 0.03 0.38 0.00 0.09 -0.56 0.00 0.00 175.26 175.20 1xsj n ASN 517 N 2.83 0.00 -4.34 -1.70 5.03 -1.26 -1.53 115.26 114.29 1xsj n ASN 517 Ca -0.09 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 54.99 1xsj n ASN 517 Cb 0.52 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.15 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 -2.14 3.86 0.52 3.41 2.01 -1.26 -4.62 115.64 117.43 1xsj s THR 518 Ca 0.00 -0.63 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 1xsj s THR 518 Cb 0.00 -2.95 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 1xsj s THR 518 CO 0.00 0.16 1.33 0.00 -0.69 0.00 0.00 174.62 175.42 1xsj s ALA 519 N 1.50 2.89 0.78 7.40 0.00 -1.26 -4.99 121.76 128.08 1xsj s ALA 519 Ca 0.03 1.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.14 1xsj s ALA 519 Cb -0.17 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.48 1xsj s ALA 519 CO 0.01 -1.24 1.20 -2.14 0.00 0.00 0.00 175.76 173.60 1xsj s PRO 520 N -2.82 1.83 0.28 0.00 0.02 -1.26 -4.79 135.00 128.26 1xsj s PRO 520 Ca 0.69 1.72 0.02 0.00 0.02 0.00 0.00 61.00 63.45 1xsj s PRO 520 Cb -0.39 -1.80 0.58 0.00 0.02 0.00 0.00 34.50 32.91 1xsj s PRO 520 CO 0.47 -2.06 1.81 0.00 -0.33 0.00 0.00 177.00 176.88 1xsj h ALA 521 N -0.72 1.49 -0.91 -1.55 0.00 -1.95 -2.17 119.26 113.45 1xsj h ALA 521 Ca -0.46 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1xsj h ALA 521 Cb 1.29 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1xsj h ALA 521 CO 0.47 0.10 0.60 1.12 0.00 0.00 0.00 179.25 181.55 1xsj h HIS 522 N 0.87 1.13 -0.21 0.00 2.07 -1.98 -1.49 115.15 115.53 1xsj h HIS 522 Ca 0.51 0.03 -0.06 0.00 -2.85 0.00 0.00 60.37 58.00 1xsj h HIS 522 Cb 0.61 -0.38 -0.01 0.00 2.57 0.00 0.00 27.41 30.20 1xsj h HIS 522 CO -0.02 0.68 -0.09 0.28 -3.07 0.00 0.00 177.93 175.70 1xsj h VAL 523 N 1.19 1.30 -0.40 6.12 2.07 -1.76 -1.38 116.25 123.39 1xsj h VAL 523 Ca 0.35 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.79 1xsj h VAL 523 Cb -0.05 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1xsj h VAL 523 CO -0.09 0.35 0.10 0.22 0.02 0.00 0.00 177.57 178.16 1xsj h TYR 524 N 0.14 0.17 -0.06 1.57 3.20 -1.15 -1.19 116.97 119.65 1xsj h TYR 524 Ca 0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1xsj h TYR 524 Cb 0.57 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1xsj h TYR 524 CO 0.06 0.04 -0.03 0.87 -1.64 0.00 0.00 178.16 177.46 1xsj h LYS 525 N 0.24 -0.02 -0.86 1.82 1.57 -1.22 0.16 116.57 118.26 1xsj h LYS 525 Ca 0.19 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 1xsj h LYS 525 Cb 0.21 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1xsj h LYS 525 CO -0.23 -0.02 0.56 0.00 -0.57 0.00 0.00 179.45 179.19 1xsj h ARG 526 N -0.03 0.85 -0.00 3.15 2.47 -1.10 -2.85 114.38 116.87 1xsj h ARG 526 Ca 0.04 -0.05 -0.20 0.00 -1.26 0.00 0.00 59.98 58.51 1xsj h ARG 526 Cb 0.08 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 1xsj h ARG 526 CO -0.08 0.56 -0.86 2.35 0.56 0.00 0.00 179.97 182.50 1xsj h TRP 527 N 0.87 0.33 -0.52 3.04 2.91 -0.61 -2.74 115.95 119.22 1xsj h TRP 527 Ca 0.39 -0.17 0.02 0.00 1.13 0.00 0.00 58.89 60.25 1xsj h TRP 527 Cb 0.35 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.93 1xsj h TRP 527 CO -0.00 0.98 0.32 0.00 -1.03 0.00 0.00 178.44 178.71 1xsj h ALA 529 N 1.22 0.72 -0.10 0.00 0.00 -1.44 -1.22 119.26 118.43 1xsj h ALA 529 Ca 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xsj h ALA 529 Cb -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1xsj h ALA 529 CO -0.08 0.42 0.06 0.35 0.00 0.00 0.00 179.25 180.00 1xsj h PHE 530 N 0.77 0.14 -0.91 0.00 3.57 -1.27 -2.81 116.94 116.44 1xsj h PHE 530 Ca 0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1xsj h PHE 530 Cb 0.36 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1xsj h PHE 530 CO 0.02 0.17 0.53 0.78 -2.23 0.00 0.00 178.31 177.59 1xsj h GLY 531 N 0.07 1.33 2.00 2.40 0.00 -0.42 -2.25 103.07 106.20 1xsj h GLY 531 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1xsj h GLY 531 CO -0.01 0.55 0.00 1.04 0.00 0.00 0.00 176.54 178.12 1xsj n LEU 532 N -4.37 0.74 -1.77 3.11 7.99 -0.48 -2.37 117.00 119.85 1xsj n LEU 532 Ca 0.10 0.59 -0.16 0.00 -0.01 0.00 0.00 56.01 56.52 1xsj n LEU 532 Cb 0.07 -0.37 0.18 0.00 -0.11 0.00 0.00 43.42 43.18 1xsj n LEU 532 CO 0.38 -0.24 1.01 0.18 -1.51 0.00 0.00 177.39 177.21 1xsj n LEU 533 N -2.21 5.62 -4.54 2.23 4.77 -0.87 -4.72 117.00 117.28 1xsj n LEU 533 Ca 0.05 -3.76 -0.24 0.00 -0.03 0.00 0.00 56.01 52.02 1xsj n LEU 533 Cb 0.39 -0.75 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 1xsj n LEU 533 CO 0.28 1.20 -0.41 -0.44 -1.33 0.00 0.00 177.39 176.70 1xsj s SER 534 N -1.94 3.88 0.24 -1.43 0.01 -1.00 -4.97 113.70 108.50 1xsj s SER 534 Ca 0.52 -0.98 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 1xsj s SER 534 Cb 0.45 -0.45 0.46 0.00 0.21 0.00 0.00 66.02 66.69 1xsj s SER 534 CO 0.05 -0.05 1.74 0.77 0.41 0.00 0.00 173.24 176.15 1xsj h SER 535 N 2.08 0.32 -3.55 2.44 4.64 -1.86 -3.41 113.55 114.21 1xsj h SER 535 Ca -0.42 0.10 -0.48 0.00 -0.47 0.00 0.00 61.79 60.53 1xsj h SER 535 Cb 1.25 0.07 -0.33 0.00 -0.31 0.00 0.00 62.40 63.09 1xsj h SER 535 CO 0.63 0.13 -0.80 -1.00 -0.87 0.00 0.00 176.83 174.91 1xsj s HIS 536 N -6.02 1.24 -0.22 4.77 3.76 -1.22 -4.77 115.29 112.83 1xsj s HIS 536 Ca -0.12 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 54.40 1xsj s HIS 536 Cb 0.20 -0.92 0.04 0.00 1.11 0.00 0.00 32.58 33.02 1xsj s HIS 536 CO 0.76 -0.21 -0.14 -1.12 -0.85 0.00 0.00 174.74 173.19 1xsj s SER 537 N 0.55 3.81 -0.04 1.40 0.01 -1.26 -4.31 113.70 113.86 1xsj s SER 537 Ca -0.11 -1.06 0.01 0.00 1.31 0.00 0.00 55.95 56.10 1xsj s SER 537 Cb -0.14 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.66 1xsj s SER 537 CO 0.02 -0.12 -0.04 -0.60 0.41 0.00 0.00 173.24 172.91 1xsj s ARG 538 N 1.23 0.77 -0.40 12.44 3.52 -1.26 -1.53 118.95 133.71 1xsj s ARG 538 Ca -0.03 -0.08 -0.20 0.00 -0.13 0.00 0.00 55.73 55.28 1xsj s ARG 538 Cb -0.17 -0.79 0.01 0.00 -1.56 0.00 0.00 34.95 32.44 1xsj s ARG 538 CO -0.08 -0.09 0.62 -0.51 -0.81 0.00 0.00 175.30 174.44 1xsj s LEU 539 N 0.92 4.42 -0.15 -0.88 1.43 0.16 -1.21 118.68 123.37 1xsj s LEU 539 Ca -0.11 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1xsj s LEU 539 Cb -0.14 -2.72 0.05 0.00 0.03 0.00 0.00 46.19 43.40 1xsj s LEU 539 CO -0.00 -0.69 0.39 -2.28 0.23 0.00 0.00 176.35 174.00 1xsj s HIS 540 N 2.73 -0.49 0.17 0.29 2.46 -1.26 -1.49 115.29 117.70 1xsj s HIS 540 Ca 0.23 1.12 0.01 0.00 0.47 0.00 0.00 55.06 56.89 1xsj s HIS 540 Cb -0.14 0.19 -0.04 0.00 -0.13 0.00 0.00 32.58 32.45 1xsj s HIS 540 CO 0.17 -0.27 0.03 0.20 -2.47 0.00 0.00 174.74 172.41 1xsj s GLY 541 N 0.79 1.21 -0.03 1.59 0.00 -1.26 -4.38 107.32 105.24 1xsj s GLY 541 Ca -0.05 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.08 1xsj s GLY 541 CO -0.06 -1.48 0.05 0.23 0.00 0.00 0.00 173.10 171.84 1xsj h SER 542 N 2.71 -0.02 -0.02 1.64 0.87 -1.08 0.45 113.55 118.11 1xsj h SER 542 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1xsj h SER 542 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1xsj h SER 542 CO 0.61 0.16 0.00 0.29 -0.53 0.00 0.00 176.83 177.36 1xsj n LYS 543 N -2.98 0.05 -4.09 2.24 5.02 -1.26 -0.76 118.16 116.37 1xsj n LYS 543 Ca -0.00 -0.91 -0.10 0.00 -2.02 0.00 0.00 58.31 55.28 1xsj n LYS 543 Cb 0.01 -1.11 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 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 -0.50 0.74 0.69 4.39 1.04 -1.26 -4.73 113.70 114.07 1xsj s SER 544 Ca 0.07 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.56 1xsj s SER 544 Cb 0.05 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1xsj s SER 544 CO 0.07 -0.42 1.06 -0.31 0.98 0.00 0.00 173.24 174.61 1xsj s TYR 545 N -2.90 3.08 -0.28 5.02 2.02 -1.26 -4.30 117.35 118.72 1xsj s TYR 545 Ca 0.01 1.44 0.04 0.00 -0.37 0.00 0.00 57.07 58.19 1xsj s TYR 545 Cb 0.00 -2.90 0.11 0.00 -0.40 0.00 0.00 41.96 38.77 1xsj s TYR 545 CO -0.05 -1.24 1.09 0.54 -1.57 0.00 0.00 175.55 174.32 1xsj n ARG 546 N -3.01 2.91 -1.85 -0.62 5.12 -1.26 -4.93 116.66 113.02 1xsj n ARG 546 Ca 0.08 -1.72 -0.41 0.00 -1.93 0.00 0.00 57.85 53.87 1xsj n ARG 546 Cb 0.53 -1.11 -0.01 0.00 -1.16 0.00 0.00 32.46 30.72 1xsj n ARG 546 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1xsj s VAL 547 N -1.09 2.19 0.45 1.55 -7.23 -1.26 -4.91 120.40 110.11 1xsj s VAL 547 Ca 0.09 0.17 0.17 0.00 -1.81 0.00 0.00 61.98 60.60 1xsj s VAL 547 Cb 0.05 -3.11 0.21 0.00 0.56 0.00 0.00 36.38 34.09 1xsj s VAL 547 CO 0.05 0.04 2.02 1.55 -0.31 0.00 0.00 175.10 178.45 1xsj h PRO 548 N 3.85 0.00 0.00 4.82 0.13 -1.94 -2.05 132.00 136.81 1xsj h PRO 548 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xsj h PRO 548 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xsj h PRO 548 CO 0.71 0.16 0.00 -2.67 -0.23 0.00 0.00 178.00 175.96 1xsj n TRP 549 N -4.20 0.00 0.66 1.56 2.14 -1.26 -1.35 117.44 114.99 1xsj n TRP 549 Ca -0.02 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.68 1xsj n TRP 549 Cb 0.23 -0.11 0.42 0.00 -0.81 0.00 0.00 31.31 31.03 1xsj n TRP 549 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xsj n ALA 550 N -1.11 2.31 -0.04 -1.67 0.00 -0.77 -4.45 120.51 114.78 1xsj n ALA 550 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 1xsj n ALA 550 Cb 0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.05 1xsj n ALA 550 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xsj n TYR 551 N -2.19 0.00 -3.89 0.00 4.02 -0.45 -5.10 117.16 109.54 1xsj n TYR 551 Ca 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.91 1xsj n TYR 551 Cb 0.42 -0.24 0.02 0.00 -0.02 0.00 0.00 39.34 39.53 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 -5.10 0.02 0.12 7.72 1.47 -1.17 -4.83 116.67 114.90 1xsj s ASP 552 Ca -0.14 -0.76 -0.18 0.00 1.18 0.00 0.00 52.55 52.65 1xsj s ASP 552 Cb 0.02 0.55 -0.04 0.00 -0.34 0.00 0.00 42.92 43.11 1xsj s ASP 552 CO 0.20 -1.09 1.69 0.44 0.68 0.00 0.00 175.17 177.09 1xsj h ASP 553 N 2.00 0.40 0.12 2.11 3.32 -1.91 -3.02 116.42 119.44 1xsj h ASP 553 Ca -0.28 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1xsj h ASP 553 Cb 1.22 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1xsj h ASP 553 CO 0.38 0.42 -0.10 -0.08 -1.72 0.00 0.00 179.24 178.13 1xsj h GLU 554 N 0.35 0.00 -0.55 3.56 4.81 -1.97 -2.09 114.58 118.70 1xsj h GLU 554 Ca 0.10 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1xsj h GLU 554 Cb 0.13 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1xsj h GLU 554 CO -0.01 0.10 0.36 0.77 -0.73 0.00 0.00 179.01 179.50 1xsj h SER 555 N 0.00 0.60 -0.07 1.04 0.02 -1.80 -0.27 113.55 113.07 1xsj h SER 555 Ca -0.00 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1xsj h SER 555 Cb 0.19 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1xsj h SER 555 CO 0.01 0.43 -0.26 0.00 -1.14 0.00 0.00 176.83 175.87 1xsj h ASP 557 N 0.45 0.63 0.24 0.00 3.32 -1.36 -1.60 116.42 118.09 1xsj h ASP 557 Ca 0.06 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1xsj h ASP 557 Cb 0.70 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xsj h ASP 557 CO 0.05 1.01 -0.11 0.58 -1.72 0.00 0.00 179.24 179.05 1xsj h VAL 558 N 0.46 0.82 -0.51 -1.35 2.07 -0.84 -1.27 116.25 115.63 1xsj h VAL 558 Ca 0.03 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1xsj h VAL 558 Cb 1.00 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1xsj h VAL 558 CO 0.09 0.07 0.22 0.58 0.02 0.00 0.00 177.57 178.56 1xsj h VAL 559 N -0.49 0.88 0.41 2.57 2.07 -1.15 -2.40 116.25 118.14 1xsj h VAL 559 Ca -0.03 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1xsj h VAL 559 Cb 0.37 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1xsj h VAL 559 CO 0.05 0.08 -0.23 -0.09 0.02 0.00 0.00 177.57 177.40 1xsj h ARG 560 N 0.42 -0.57 -0.27 1.57 2.43 -1.20 0.49 114.38 117.25 1xsj h ARG 560 Ca 0.24 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.51 1xsj h ARG 560 Cb 0.22 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 1xsj h ARG 560 CO -0.21 -0.38 -0.14 0.35 -1.51 0.00 0.00 179.97 178.07 1xsj h PHE 561 N -0.60 -0.35 -0.00 2.20 3.04 -1.11 -0.88 116.94 119.25 1xsj h PHE 561 Ca -0.05 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.77 1xsj h PHE 561 Cb 0.48 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 1xsj h PHE 561 CO -0.07 -0.21 -0.79 0.74 -2.02 0.00 0.00 178.31 175.96 1xsj h PHE 562 N -0.11 0.01 -0.26 0.41 0.04 -1.35 -1.25 116.94 114.42 1xsj h PHE 562 Ca 0.14 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 1xsj h PHE 562 Cb 0.33 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1xsj h PHE 562 CO -0.33 0.79 0.09 1.15 -0.60 0.00 0.00 178.31 179.42 1xsj h THR 563 N 0.00 1.18 -0.45 -1.55 2.02 -0.72 -0.63 112.91 112.77 1xsj h THR 563 Ca -0.01 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 66.64 1xsj h THR 563 Cb 1.39 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 1xsj h THR 563 CO 0.10 0.19 0.21 1.56 0.37 0.00 0.00 175.52 177.95 1xsj h GLN 564 N 0.27 0.40 -0.24 6.66 4.20 -1.14 -1.27 115.11 123.99 1xsj h GLN 564 Ca 0.09 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1xsj h GLN 564 Cb 0.21 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1xsj h GLN 564 CO -0.01 0.26 0.07 1.25 -0.67 0.00 0.00 178.83 179.74 1xsj h LEU 565 N 0.41 0.07 -0.82 1.46 5.85 -1.13 -1.11 115.31 120.03 1xsj h LEU 565 Ca 0.20 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1xsj h LEU 565 Cb 0.14 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1xsj h LEU 565 CO -0.16 0.07 0.49 0.50 -0.34 0.00 0.00 178.44 179.00 1xsj h LYS 566 N 0.18 1.12 -0.39 1.25 3.64 -0.73 0.24 116.57 121.88 1xsj h LYS 566 Ca 0.11 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1xsj h LYS 566 Cb 0.08 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1xsj h LYS 566 CO -0.12 0.79 -0.01 0.00 -2.27 0.00 0.00 179.45 177.84 1xsj h ARG 568 N 0.58 0.00 -0.00 0.00 3.08 -0.57 -3.04 114.38 114.43 1xsj h ARG 568 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1xsj h ARG 568 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1xsj h ARG 568 CO 0.01 0.52 -0.00 -1.33 -1.07 0.00 0.00 179.97 178.10 1xsj n MET 569 N -3.67 1.19 -0.26 0.04 2.81 0.01 -0.69 117.12 116.56 1xsj n MET 569 Ca -0.01 -0.29 0.03 0.00 -1.81 0.00 0.00 57.70 55.63 1xsj n MET 569 Cb 0.58 -1.49 0.26 0.00 -0.71 0.00 0.00 33.22 31.85 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 0.70 0.96 -0.96 0.03 2.86 -1.38 0.10 114.93 117.25 1xsj h MET 570 Ca 0.00 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1xsj h MET 570 Cb 0.15 -0.22 -0.07 0.00 0.06 0.00 0.00 31.60 31.53 1xsj h MET 570 CO 0.00 0.64 0.61 -1.35 1.06 0.00 0.00 176.91 177.86 1xsj h PRO 571 N 0.99 1.05 -0.05 -0.22 0.11 -1.77 0.21 132.00 132.31 1xsj h PRO 571 Ca 0.34 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 1xsj h PRO 571 Cb 0.11 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 30.99 1xsj h PRO 571 CO -0.11 0.70 -0.40 -0.92 -0.21 0.00 0.00 178.00 177.05 1xsj h TYR 572 N 1.08 0.50 -0.35 0.65 3.20 -1.29 -3.24 116.97 117.53 1xsj h TYR 572 Ca 0.42 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1xsj h TYR 572 Cb 0.21 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1xsj h TYR 572 CO -0.01 1.01 0.15 -0.07 -1.64 0.00 0.00 178.16 177.59 1xsj h LEU 573 N -0.14 0.47 -1.30 2.82 4.07 -0.37 -2.51 115.31 118.35 1xsj h LEU 573 Ca -0.04 -0.15 -0.06 0.00 0.08 0.00 0.00 57.88 57.71 1xsj h LEU 573 Cb 1.08 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 1xsj h LEU 573 CO 0.08 0.49 -0.20 0.22 -1.08 0.00 0.00 178.44 177.95 1xsj h TYR 574 N 0.42 0.24 -0.29 1.13 3.20 -0.75 0.38 116.97 121.31 1xsj h TYR 574 Ca 0.12 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1xsj h TYR 574 Cb 0.16 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1xsj h TYR 574 CO -0.01 0.42 0.09 -0.09 -1.64 0.00 0.00 178.16 176.93 1xsj h ARG 575 N 0.21 0.45 -0.32 1.82 9.65 -1.57 -0.87 114.38 123.75 1xsj h ARG 575 Ca 0.04 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 1xsj h ARG 575 Cb 0.48 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 1xsj h ARG 575 CO 0.03 0.50 0.07 0.93 2.80 0.00 0.00 179.97 184.31 1xsj h GLU 576 N 0.31 0.46 -0.61 0.20 4.39 -0.85 -2.43 114.58 116.05 1xsj h GLU 576 Ca 0.09 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1xsj h GLU 576 Cb 0.24 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1xsj h GLU 576 CO -0.00 0.43 0.20 0.00 -1.16 0.00 0.00 179.01 178.48 1xsj h ALA 577 N 1.63 0.79 -0.13 3.43 0.00 0.01 -2.65 119.26 122.35 1xsj h ALA 577 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xsj h ALA 577 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xsj h ALA 577 CO -0.00 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.69 1xsj h ALA 578 N 1.06 1.75 -0.44 0.00 0.00 -0.86 -1.58 119.26 119.20 1xsj h ALA 578 Ca 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xsj h ALA 578 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xsj h ALA 578 CO -0.01 0.19 0.25 -0.09 0.00 0.00 0.00 179.25 179.59 1xsj h ARG 579 N 0.18 0.59 -0.25 0.00 2.43 -1.08 -0.21 114.38 116.03 1xsj h ARG 579 Ca 0.04 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 1xsj h ARG 579 Cb 0.14 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1xsj h ARG 579 CO 0.00 0.42 -0.58 0.00 -1.51 0.00 0.00 179.97 178.30 1xsj h ALA 580 N 1.68 0.49 -0.55 2.80 0.00 -1.15 -0.72 119.26 121.81 1xsj h ALA 580 Ca 0.16 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1xsj h ALA 580 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xsj h ALA 580 CO -0.03 0.69 0.03 -0.97 0.00 0.00 0.00 179.25 178.97 1xsj h ASN 581 N 0.61 0.88 0.25 0.00 -0.73 -1.19 -1.14 115.58 114.25 1xsj h ASN 581 Ca 0.00 -0.22 -0.34 0.00 1.87 0.00 0.00 56.30 57.62 1xsj h ASN 581 Cb 1.18 -0.23 0.01 0.00 0.27 0.00 0.00 38.32 39.55 1xsj h ASN 581 CO 0.12 0.92 -1.67 0.00 -0.37 0.00 0.00 177.43 176.44 1xsj h ALA 582 N 1.18 0.10 0.00 1.57 0.00 -0.93 -3.41 119.26 117.77 1xsj h ALA 582 Ca 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1xsj h ALA 582 Cb 0.46 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1xsj h ALA 582 CO 0.02 0.97 0.00 0.54 0.00 0.00 0.00 179.25 180.78 1xsj n ARG 583 N -3.60 2.91 -1.84 0.00 1.74 -0.29 -5.00 116.66 110.59 1xsj n ARG 583 Ca -0.22 -0.14 -0.13 0.00 -0.77 0.00 0.00 57.85 56.59 1xsj n ARG 583 Cb 1.08 -0.56 -0.03 0.00 -1.02 0.00 0.00 32.46 31.93 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 0.46 0.53 3.61 -0.13 0.00 -0.43 -2.81 105.19 106.41 1xsj n GLY 584 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.55 4.71 0.72 2.61 2.01 -1.21 -4.72 115.64 117.21 1xsj s THR 585 Ca 0.00 1.18 -0.11 0.00 0.31 0.00 0.00 61.69 63.07 1xsj s THR 585 Cb 0.00 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.31 1xsj s THR 585 CO 0.00 -0.37 1.07 -2.16 -0.69 0.00 0.00 174.62 172.47 1xsj s PRO 586 N 3.17 2.69 0.12 4.92 0.04 -1.26 -2.96 135.00 141.72 1xsj s PRO 586 Ca 0.35 1.06 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 1xsj s PRO 586 Cb -0.13 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1xsj s PRO 586 CO 0.15 -1.30 1.48 0.52 0.04 0.00 0.00 177.00 177.90 1xsj h MET 587 N -0.80 0.80 -4.98 4.56 2.86 -1.71 -3.39 114.93 112.27 1xsj h MET 587 Ca -0.44 -0.37 -0.67 0.00 -2.06 0.00 0.00 59.70 56.16 1xsj h MET 587 Cb 1.22 -0.01 -0.17 0.00 0.06 0.00 0.00 31.60 32.69 1xsj h MET 587 CO 0.55 0.99 -0.20 1.41 1.06 0.00 0.00 176.91 180.72 1xsj s MET 588 N -4.56 3.38 -0.04 1.72 -2.45 -1.26 -0.88 119.30 115.20 1xsj s MET 588 Ca -0.12 -0.51 0.06 0.00 -1.25 0.00 0.00 55.69 53.88 1xsj s MET 588 Cb 0.10 -3.87 -0.02 0.00 1.25 0.00 0.00 34.83 32.29 1xsj s MET 588 CO 0.84 -0.69 -0.24 1.03 1.05 0.00 0.00 175.02 177.01 1xsj s ARG 589 N 2.16 2.38 0.44 4.11 0.52 0.58 -4.78 118.95 124.36 1xsj s ARG 589 Ca 0.13 -0.89 -0.25 0.00 -0.52 0.00 0.00 55.73 54.21 1xsj s ARG 589 Cb -0.16 -2.15 -0.08 0.00 0.52 0.00 0.00 34.95 33.08 1xsj s ARG 589 CO 0.13 0.48 1.28 0.00 0.02 0.00 0.00 175.30 177.21 1xsj s ALA 590 N -0.41 3.13 0.27 2.13 0.00 -1.26 -0.87 121.76 124.75 1xsj s ALA 590 Ca 0.04 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1xsj s ALA 590 Cb -0.12 -3.47 0.57 0.00 0.00 0.00 0.00 23.12 20.10 1xsj s ALA 590 CO 0.01 -0.86 1.77 0.52 0.00 0.00 0.00 175.76 177.20 1xsj h MET 591 N 2.35 0.66 -0.46 0.00 0.00 -1.81 0.97 114.93 116.65 1xsj h MET 591 Ca -0.50 -0.04 0.12 0.00 0.00 0.00 0.00 59.70 59.29 1xsj h MET 591 Cb 1.25 -0.15 -0.02 0.00 0.00 0.00 0.00 31.60 32.69 1xsj h MET 591 CO 0.61 0.44 0.33 0.00 0.00 0.00 0.00 176.91 178.28 1xsj h MET 592 N 0.68 0.04 0.04 1.72 -0.00 -1.83 0.15 114.93 115.73 1xsj h MET 592 Ca 0.49 -0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.95 1xsj h MET 592 Cb 0.69 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.28 1xsj h MET 592 CO -0.36 0.03 -1.02 1.98 -0.00 0.00 0.00 176.91 177.53 1xsj h MET 593 N 0.04 0.34 0.00 -0.10 1.85 -1.15 -2.67 114.93 113.24 1xsj h MET 593 Ca 0.22 -0.42 -0.11 0.00 -0.61 0.00 0.00 59.70 58.77 1xsj h MET 593 Cb 0.81 0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.96 1xsj h MET 593 CO -0.01 1.12 -0.84 1.49 -0.40 0.00 0.00 176.91 178.27 1xsj h GLU 594 N 0.17 0.00 -2.09 0.39 4.57 -1.36 -3.40 114.58 112.87 1xsj h GLU 594 Ca -0.09 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.55 1xsj h GLU 594 Cb 1.69 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.87 1xsj h GLU 594 CO 0.17 0.36 -0.97 1.19 -1.18 0.00 0.00 179.01 178.58 1xsj n PHE 595 N -3.06 1.33 0.29 0.92 3.01 -0.01 -4.96 117.46 114.98 1xsj n PHE 595 Ca -0.02 -3.83 0.16 0.00 1.01 0.00 0.00 57.45 54.77 1xsj n PHE 595 Cb 0.75 -0.44 0.83 0.00 -0.01 0.00 0.00 39.48 40.61 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 3.46 0.00 -0.24 -1.08 0.13 -1.68 -1.77 132.00 130.83 1xsj h PRO 596 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xsj h PRO 596 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1xsj h PRO 596 CO 0.60 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 178.18 1xsj n ASP 597 N -3.33 2.92 -4.49 1.44 8.00 -1.26 -4.84 116.55 114.98 1xsj n ASP 597 Ca -0.01 -1.92 -0.43 0.00 0.71 0.00 0.00 54.79 53.15 1xsj n ASP 597 Cb 0.22 -0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.66 6.17 0.23 -2.24 -1.08 -0.66 -4.94 116.67 112.48 1xsj s ASP 598 Ca 0.35 -0.65 0.22 0.00 -0.52 0.00 0.00 52.55 51.95 1xsj s ASP 598 Cb 0.21 -2.20 0.93 0.00 -1.46 0.00 0.00 42.92 40.40 1xsj s ASP 598 CO 0.30 -0.50 1.66 -0.81 0.52 0.00 0.00 175.17 176.35 1xsj n PRO 599 N 5.44 0.16 0.05 4.34 -0.04 -1.26 -1.53 135.00 142.16 1xsj n PRO 599 Ca -0.09 0.42 0.10 0.00 -0.04 0.00 0.00 63.50 63.90 1xsj n PRO 599 Cb 0.48 -1.82 0.43 0.00 -0.04 0.00 0.00 33.50 32.54 1xsj n PRO 599 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsj n ALA 600 N -1.73 1.87 0.85 0.55 0.00 -1.26 -3.83 120.51 116.96 1xsj n ALA 600 Ca 0.02 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1xsj n ALA 600 Cb 0.20 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 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 0.18 0.87 -0.19 0.00 3.32 -1.71 -2.92 116.42 115.98 1xsj h ASP 602 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1xsj h ASP 602 Cb 0.45 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1xsj h ASP 602 CO 0.00 0.43 0.00 -1.22 -1.72 0.00 0.00 179.24 176.73 1xsj n TYR 603 N -4.67 0.24 -2.30 4.55 4.01 -1.26 -4.86 117.16 112.86 1xsj n TYR 603 Ca 0.20 -0.19 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1xsj n TYR 603 Cb 0.41 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.16 4.31 0.00 7.72 1.43 -1.10 -4.87 118.68 125.01 1xsj s LEU 604 Ca 0.23 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1xsj s LEU 604 Cb 0.14 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1xsj s LEU 604 CO 0.20 -0.66 0.39 -0.90 0.23 0.00 0.00 176.35 175.61 1xsj n ASP 605 N 5.12 0.01 -0.30 2.29 3.85 -1.26 -4.55 116.55 121.70 1xsj n ASP 605 Ca 0.12 -1.00 0.04 0.00 -0.71 0.00 0.00 54.79 53.23 1xsj n ASP 605 Cb 0.44 0.00 0.09 0.00 -1.35 0.00 0.00 41.12 40.30 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 2.78 -3.84 0.11 1.74 -1.26 -4.53 116.66 111.65 1xsj n ARG 606 Ca 0.00 -1.91 -0.09 0.00 -0.77 0.00 0.00 57.85 55.08 1xsj n ARG 606 Cb 0.44 -1.21 -0.04 0.00 -1.02 0.00 0.00 32.46 30.63 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 -1.34 1.42 0.19 5.56 -2.07 -1.26 -3.96 119.66 118.20 1xsj s GLN 607 Ca 0.15 -1.01 -0.23 0.00 -1.82 0.00 0.00 55.36 52.44 1xsj s GLN 607 Cb 0.10 0.50 0.05 0.00 -1.09 0.00 0.00 33.01 32.57 1xsj s GLN 607 CO 0.07 -0.60 0.70 1.52 -1.32 0.00 0.00 175.29 175.66 1xsj s TYR 608 N -3.93 -0.37 -0.12 9.60 -0.85 -0.16 -4.58 117.35 116.95 1xsj s TYR 608 Ca 0.14 0.06 -0.19 0.00 -0.52 0.00 0.00 57.07 56.56 1xsj s TYR 608 Cb -0.01 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 1xsj s TYR 608 CO 0.01 -0.96 0.50 -1.64 -1.52 0.00 0.00 175.55 171.94 1xsj s MET 609 N -3.72 4.34 -0.62 -3.49 -1.94 -0.05 -0.22 119.30 113.60 1xsj s MET 609 Ca 0.06 0.49 -0.16 0.00 -1.71 0.00 0.00 55.69 54.38 1xsj s MET 609 Cb -0.03 -3.44 0.15 0.00 2.01 0.00 0.00 34.83 33.52 1xsj s MET 609 CO -0.04 0.13 0.58 -1.17 -0.01 0.00 0.00 175.02 174.51 1xsj s LEU 610 N 0.70 6.28 0.00 -0.03 2.96 0.17 -0.31 118.68 128.46 1xsj s LEU 610 Ca 0.27 -2.00 0.00 0.00 -0.22 0.00 0.00 54.13 52.18 1xsj s LEU 610 Cb -0.15 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1xsj s LEU 610 CO 0.11 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 174.95 1xsj n GLY 611 N 4.93 -2.09 0.36 7.98 0.00 -0.06 -3.64 105.19 112.68 1xsj n GLY 611 Ca -0.07 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.19 0.57 0.00 1.61 3.32 -1.92 -3.36 116.42 116.45 1xsj h ASP 612 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xsj h ASP 612 Cb 0.19 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1xsj h ASP 612 CO 0.00 0.32 -0.56 0.59 -1.72 0.00 0.00 179.24 177.87 1xsj n ASN 613 N -4.50 1.16 -4.12 6.45 3.02 -1.26 -4.99 115.26 111.01 1xsj n ASN 613 Ca 0.14 -0.47 -0.33 0.00 -0.03 0.00 0.00 54.58 53.89 1xsj n ASN 613 Cb 0.39 1.08 -0.16 0.00 -0.61 0.00 0.00 39.78 40.48 1xsj n ASN 613 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xsj s VAL 614 N -1.82 2.02 -0.18 2.41 1.01 -1.24 -2.07 120.40 120.54 1xsj s VAL 614 Ca 0.01 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 1xsj s VAL 614 Cb 0.05 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1xsj s VAL 614 CO 0.26 0.54 0.37 -0.32 0.00 0.00 0.00 175.10 175.94 1xsj s MET 615 N 1.18 4.21 -0.03 2.72 1.75 0.57 0.43 119.30 130.14 1xsj s MET 615 Ca 0.02 0.18 0.07 0.00 -1.25 0.00 0.00 55.69 54.71 1xsj s MET 615 Cb -0.14 -3.49 -0.02 0.00 2.84 0.00 0.00 34.83 34.02 1xsj s MET 615 CO -0.10 0.06 -0.23 0.54 -0.65 0.00 0.00 175.02 174.65 1xsj s VAL 616 N 0.99 2.34 -0.41 10.11 0.11 0.69 -1.01 120.40 133.23 1xsj s VAL 616 Ca 0.19 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.25 1xsj s VAL 616 Cb -0.14 -1.84 0.13 0.00 -1.53 0.00 0.00 36.38 32.99 1xsj s VAL 616 CO 0.07 0.58 0.20 0.00 -3.33 0.00 0.00 175.10 172.62 1xsj s ALA 617 N -0.63 2.04 0.65 1.54 0.00 -0.60 -0.99 121.76 123.77 1xsj s ALA 617 Ca 0.10 -2.39 -0.17 0.00 0.00 0.00 0.00 51.96 49.49 1xsj s ALA 617 Cb -0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1xsj s ALA 617 CO -0.00 -1.97 0.84 -2.30 0.00 0.00 0.00 175.76 172.33 1xsj n PRO 618 N 3.86 0.65 -3.58 0.00 -0.02 -1.25 -4.06 135.00 130.59 1xsj n PRO 618 Ca 0.06 0.27 -0.36 0.00 -2.02 0.00 0.00 63.50 61.44 1xsj n PRO 618 Cb 0.36 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.67 5.32 -0.21 -1.45 1.01 -1.26 -4.98 120.40 117.16 1xsj s VAL 619 Ca 0.73 0.44 0.14 0.00 0.00 0.00 0.00 61.98 63.30 1xsj s VAL 619 Cb -0.39 -3.59 0.51 0.00 0.00 0.00 0.00 36.38 32.91 1xsj s VAL 619 CO 0.50 0.38 1.42 0.49 0.00 0.00 0.00 175.10 177.89 1xsj n PHE 620 N 3.76 0.96 -4.20 5.22 3.72 -1.26 -4.85 117.46 120.80 1xsj n PHE 620 Ca -0.13 -1.13 -0.14 0.00 -0.05 0.00 0.00 57.45 56.01 1xsj n PHE 620 Cb 0.52 -0.37 -0.10 0.00 -0.94 0.00 0.00 39.48 38.58 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 -2.97 1.00 0.04 4.37 -4.23 -1.26 -4.89 115.64 107.70 1xsj s THR 621 Ca 0.42 -1.80 -0.27 0.00 -1.18 0.00 0.00 61.69 58.86 1xsj s THR 621 Cb 0.36 -1.55 -0.17 0.00 1.34 0.00 0.00 72.50 72.48 1xsj s THR 621 CO 0.06 -0.64 1.47 -0.08 -0.54 0.00 0.00 174.62 174.89 1xsj h GLU 622 N 3.26 -0.40 0.00 3.99 4.81 -1.94 -3.15 114.58 121.16 1xsj h GLU 622 Ca -0.37 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1xsj h GLU 622 Cb 1.19 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1xsj h GLU 622 CO 0.57 -0.16 0.00 0.00 -0.73 0.00 0.00 179.01 178.70 1xsj h ALA 623 N 0.05 1.00 0.00 2.92 0.00 -1.97 -3.46 119.26 117.80 1xsj h ALA 623 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xsj h ALA 623 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xsj h ALA 623 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1xsj n GLY 624 N -0.72 0.86 3.77 0.00 0.00 -1.19 -4.61 105.19 103.29 1xsj n GLY 624 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 6.84 -0.26 1.61 1.01 -1.26 -1.16 116.67 121.16 1xsj s ASP 625 Ca 0.00 2.30 -0.17 0.00 0.71 0.00 0.00 52.55 55.39 1xsj s ASP 625 Cb 0.00 -2.62 0.07 0.00 1.01 0.00 0.00 42.92 41.39 1xsj s ASP 625 CO 0.00 -0.45 0.65 0.54 0.21 0.00 0.00 175.17 176.12 1xsj s VAL 626 N -1.34 -0.00 -0.05 -1.27 0.11 -0.82 -4.40 120.40 112.62 1xsj s VAL 626 Ca 0.52 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.61 1xsj s VAL 626 Cb -0.30 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 1xsj s VAL 626 CO 0.39 0.00 -0.11 -1.10 -3.33 0.00 0.00 175.10 170.96 1xsj s GLN 627 N 1.23 2.61 0.08 1.54 -0.21 -1.26 -1.75 119.66 121.90 1xsj s GLN 627 Ca -0.07 -0.64 -0.15 0.00 0.02 0.00 0.00 55.36 54.53 1xsj s GLN 627 Cb -0.05 -2.48 0.03 0.00 1.00 0.00 0.00 33.01 31.51 1xsj s GLN 627 CO -0.13 0.64 0.34 -0.59 -2.12 0.00 0.00 175.29 173.44 1xsj s PHE 628 N -0.79 -0.14 -0.08 0.91 -0.12 -0.52 -5.00 117.98 112.25 1xsj s PHE 628 Ca 0.12 -0.09 -0.03 0.00 -0.05 0.00 0.00 56.93 56.88 1xsj s PHE 628 Cb -0.11 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 1xsj s PHE 628 CO 0.01 -0.60 0.05 -0.47 -0.05 0.00 0.00 175.22 174.17 1xsj s TYR 629 N -3.18 3.30 -0.18 3.49 5.04 -1.26 -0.94 117.35 123.61 1xsj s TYR 629 Ca -0.01 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 1xsj s TYR 629 Cb 0.01 -1.82 0.01 0.00 0.35 0.00 0.00 41.96 40.51 1xsj s TYR 629 CO -0.07 0.55 -0.16 -0.51 -1.34 0.00 0.00 175.55 174.02 1xsj s LEU 630 N -1.06 2.32 1.17 6.97 1.02 -0.59 -4.99 118.68 123.51 1xsj s LEU 630 Ca 0.15 -0.58 -0.17 0.00 0.02 0.00 0.00 54.13 53.56 1xsj s LEU 630 Cb -0.12 -1.54 0.20 0.00 0.02 0.00 0.00 46.19 44.75 1xsj s LEU 630 CO 0.05 0.01 0.41 -2.65 0.02 0.00 0.00 176.35 174.18 1xsj n PRO 631 N 4.57 -2.21 -1.65 1.29 -0.02 -1.26 0.17 135.00 135.89 1xsj n PRO 631 Ca -0.20 -0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 60.23 1xsj n PRO 631 Cb 0.50 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1xsj n PRO 631 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xsj n GLU 632 N -3.30 1.65 0.00 -0.52 2.13 -1.26 -2.13 120.64 117.21 1xsj n GLU 632 Ca 0.02 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1xsj n GLU 632 Cb 0.58 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.15 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 1.01 1.20 3.24 8.31 0.00 -1.26 -4.80 105.19 112.89 1xsj n GLY 633 Ca 0.08 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.14 2.77 0.04 1.61 3.52 -1.26 0.27 118.95 124.75 1xsj s ARG 634 Ca 0.00 -1.05 -0.00 0.00 -0.13 0.00 0.00 55.73 54.55 1xsj s ARG 634 Cb 0.00 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1xsj s ARG 634 CO 0.00 -0.50 0.16 -1.58 -0.81 0.00 0.00 175.30 172.57 1xsj s TRP 635 N 1.36 3.42 -0.07 5.12 0.52 0.67 -3.20 118.94 126.76 1xsj s TRP 635 Ca -0.01 0.23 0.04 0.00 0.02 0.00 0.00 56.10 56.38 1xsj s TRP 635 Cb -0.18 -1.74 0.00 0.00 -1.15 0.00 0.00 33.47 30.40 1xsj s TRP 635 CO -0.01 0.58 -0.19 0.99 0.02 0.00 0.00 176.95 178.35 1xsj s THR 636 N -1.40 1.61 0.18 2.01 2.01 -0.32 -0.43 115.64 119.29 1xsj s THR 636 Ca 0.30 -0.77 -0.32 0.00 0.31 0.00 0.00 61.69 61.21 1xsj s THR 636 Cb -0.13 -1.40 -0.11 0.00 0.01 0.00 0.00 72.50 70.87 1xsj s THR 636 CO 0.23 0.46 1.69 -2.28 -0.69 0.00 0.00 174.62 174.03 1xsj s HIS 637 N 0.34 2.81 0.29 4.92 2.46 0.81 -0.61 115.29 126.30 1xsj s HIS 637 Ca -0.13 0.36 0.04 0.00 0.47 0.00 0.00 55.06 55.80 1xsj s HIS 637 Cb -0.15 -4.08 0.67 0.00 -0.13 0.00 0.00 32.58 28.89 1xsj s HIS 637 CO 0.05 -4.14 1.77 1.25 -2.47 0.00 0.00 174.74 171.20 1xsj h LEU 638 N 7.17 0.71 0.00 8.88 5.85 -1.30 -1.40 115.31 135.22 1xsj h LEU 638 Ca -0.43 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1xsj h LEU 638 Cb 1.20 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1xsj h LEU 638 CO 0.94 0.26 -0.96 -2.67 -0.34 0.00 0.00 178.44 175.68 1xsj n TRP 639 N -4.80 0.00 0.25 1.25 2.14 -1.26 -4.70 117.44 110.31 1xsj n TRP 639 Ca 0.21 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.92 1xsj n TRP 639 Cb 0.52 0.00 0.30 0.00 -0.81 0.00 0.00 31.31 31.32 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 -1.94 -3.47 115.15 110.92 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 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1xsj h HIS 640 CO 0.00 0.00 0.00 -1.71 0.86 0.00 0.00 177.93 177.08 1xsj n ASN 641 N -3.07 -2.73 -4.81 2.45 5.15 -0.53 -4.95 115.26 106.77 1xsj n ASN 641 Ca 0.03 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.69 1xsj n ASN 641 Cb 0.47 -1.79 0.02 0.00 -0.53 0.00 0.00 39.78 37.95 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 -2.19 5.71 -0.00 1.20 -4.77 -1.26 -4.63 116.67 110.72 1xsj s ASP 642 Ca 0.00 1.77 0.05 0.00 -3.30 0.00 0.00 52.55 51.07 1xsj s ASP 642 Cb 0.00 -2.52 -0.03 0.00 -1.09 0.00 0.00 42.92 39.28 1xsj s ASP 642 CO 0.00 -1.22 -0.14 -1.61 0.70 0.00 0.00 175.17 172.90 1xsj s GLU 643 N -4.29 2.35 0.01 2.11 2.02 -1.26 -0.14 118.70 119.51 1xsj s GLU 643 Ca 0.62 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.82 1xsj s GLU 643 Cb -0.15 -2.33 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 1xsj s GLU 643 CO 0.41 0.59 -0.06 -0.51 0.02 0.00 0.00 175.26 175.70 1xsj s LEU 644 N -1.13 2.10 0.02 1.80 1.43 0.42 -4.98 118.68 118.34 1xsj s LEU 644 Ca 0.14 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 52.80 1xsj s LEU 644 Cb -0.11 -0.23 -0.06 0.00 0.03 0.00 0.00 46.19 45.83 1xsj s LEU 644 CO 0.04 -0.03 0.50 -1.81 0.23 0.00 0.00 176.35 175.28 1xsj s ASP 645 N -0.65 6.92 0.65 2.29 1.01 -1.26 -0.24 116.67 125.38 1xsj s ASP 645 Ca -0.02 1.09 0.00 0.00 0.71 0.00 0.00 52.55 54.33 1xsj s ASP 645 Cb -0.05 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1xsj s ASP 645 CO 0.00 0.24 0.00 0.61 0.21 0.00 0.00 175.17 176.23 1xsj n GLY 646 N 2.03 -0.20 2.27 0.21 0.00 0.14 -4.60 105.19 105.04 1xsj n GLY 646 Ca -0.11 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.76 -4.04 -3.75 1.61 2.88 0.46 -4.69 113.62 103.32 1xsj n SER 647 Ca 0.00 0.20 -0.09 0.00 -1.33 0.00 0.00 58.87 57.66 1xsj n SER 647 Cb 0.00 -2.53 -0.03 0.00 -0.75 0.00 0.00 64.21 60.90 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 -3.07 1.57 0.50 -1.46 1.70 -0.97 -4.96 118.95 112.26 1xsj s ARG 648 Ca 0.00 -0.88 -0.14 0.00 -0.47 0.00 0.00 55.73 54.24 1xsj s ARG 648 Cb 0.00 0.57 -0.07 0.00 -0.57 0.00 0.00 34.95 34.88 1xsj s ARG 648 CO 0.00 -0.70 0.94 -1.58 -1.08 0.00 0.00 175.30 172.88 1xsj s TRP 649 N -3.88 3.49 0.02 5.89 0.52 -1.26 -1.54 118.94 122.18 1xsj s TRP 649 Ca 0.10 1.32 0.01 0.00 0.02 0.00 0.00 56.10 57.54 1xsj s TRP 649 Cb -0.03 -2.68 -0.02 0.00 -1.15 0.00 0.00 33.47 29.58 1xsj s TRP 649 CO 0.01 -0.35 -0.04 -1.01 0.02 0.00 0.00 176.95 175.57 1xsj s HIS 650 N -2.65 0.36 -0.06 -1.98 3.76 -0.11 -4.96 115.29 109.63 1xsj s HIS 650 Ca 0.56 -0.52 0.05 0.00 -0.15 0.00 0.00 55.06 55.01 1xsj s HIS 650 Cb -0.10 -0.24 -0.01 0.00 1.11 0.00 0.00 32.58 33.34 1xsj s HIS 650 CO 0.35 -0.16 -0.22 0.21 -0.85 0.00 0.00 174.74 174.07 1xsj s LYS 651 N -1.47 2.40 0.21 1.40 2.20 -1.26 -1.43 119.74 121.79 1xsj s LYS 651 Ca -0.14 -0.81 -0.02 0.00 -0.36 0.00 0.00 55.97 54.64 1xsj s LYS 651 Cb -0.10 -2.00 -0.04 0.00 -1.51 0.00 0.00 37.83 34.19 1xsj s LYS 651 CO -0.01 0.30 0.17 -0.65 -0.36 0.00 0.00 175.35 174.81 1xsj s GLN 652 N 0.01 1.27 -0.07 4.03 -0.21 -0.71 -5.00 119.66 118.96 1xsj s GLN 652 Ca -0.07 -1.61 0.02 0.00 0.02 0.00 0.00 55.36 53.72 1xsj s GLN 652 Cb -0.14 0.29 0.02 0.00 1.00 0.00 0.00 33.01 34.18 1xsj s GLN 652 CO 0.04 -0.43 -0.11 -1.14 -2.12 0.00 0.00 175.29 171.54 1xsj s GLN 653 N -4.10 1.57 0.03 2.91 0.74 -1.26 -1.94 119.66 117.60 1xsj s GLN 653 Ca 0.37 -0.35 0.07 0.00 0.05 0.00 0.00 55.36 55.50 1xsj s GLN 653 Cb 0.06 -1.36 -0.02 0.00 1.10 0.00 0.00 33.01 32.78 1xsj s GLN 653 CO 0.12 -0.03 -0.20 -1.01 -0.55 0.00 0.00 175.29 173.62 1xsj s HIS 654 N 0.85 1.75 0.86 1.67 3.76 -0.31 -4.96 115.29 118.91 1xsj s HIS 654 Ca -0.11 -0.36 -0.13 0.00 -0.15 0.00 0.00 55.06 54.30 1xsj s HIS 654 Cb -0.15 -1.06 0.20 0.00 1.11 0.00 0.00 32.58 32.67 1xsj s HIS 654 CO 0.01 0.06 1.17 0.41 -0.85 0.00 0.00 174.74 175.54 1xsj n GLY 655 N 2.03 -1.25 0.03 -2.22 0.00 -1.26 -4.30 105.19 98.22 1xsj n GLY 655 Ca -0.17 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.22 1xsj n GLY 655 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xsj n PHE 656 N -3.56 0.24 -0.01 1.61 3.72 -1.26 -2.14 117.46 116.06 1xsj n PHE 656 Ca 0.15 0.09 0.09 0.00 -0.05 0.00 0.00 57.45 57.73 1xsj n PHE 656 Cb 0.52 -0.64 0.28 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.71 3.46 -3.91 4.37 4.32 -1.26 -4.88 117.00 117.38 1xsj n LEU 657 Ca 0.04 -1.73 -0.09 0.00 -0.02 0.00 0.00 56.01 54.21 1xsj n LEU 657 Cb 0.26 -0.44 -0.09 0.00 -1.62 0.00 0.00 43.42 41.54 1xsj n LEU 657 CO 0.20 0.79 -0.17 -0.55 -1.22 0.00 0.00 177.39 176.43 1xsj s SER 658 N -0.96 0.17 0.12 -1.43 0.15 -0.91 -5.03 113.70 105.82 1xsj s SER 658 Ca 0.41 -0.60 -0.25 0.00 0.70 0.00 0.00 55.95 56.21 1xsj s SER 658 Cb 0.23 0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.88 1xsj s SER 658 CO 0.26 -0.60 0.79 -1.48 1.20 0.00 0.00 173.24 173.42 1xsj s LEU 659 N -2.46 -0.37 -0.06 3.45 2.34 -1.26 -4.58 118.68 115.74 1xsj s LEU 659 Ca -0.00 -0.18 -0.30 0.00 0.06 0.00 0.00 54.13 53.71 1xsj s LEU 659 Cb 0.02 2.33 -0.08 0.00 -0.56 0.00 0.00 46.19 47.90 1xsj s LEU 659 CO -0.07 -0.89 2.05 -2.65 -1.06 0.00 0.00 176.35 173.73 1xsj n PRO 660 N -0.36 2.51 -3.63 1.48 -0.02 -1.26 -4.93 135.00 128.79 1xsj n PRO 660 Ca -0.10 0.86 -0.29 0.00 -2.02 0.00 0.00 63.50 61.95 1xsj n PRO 660 Cb 0.62 -3.05 -0.15 0.00 -0.02 0.00 0.00 33.50 30.91 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 5.70 0.48 -0.01 -1.45 1.01 -1.25 -1.56 120.40 123.31 1xsj s VAL 661 Ca 0.93 -1.26 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1xsj s VAL 661 Cb -0.43 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1xsj s VAL 661 CO 0.41 -0.74 -0.17 -0.31 0.00 0.00 0.00 175.10 174.28 1xsj s TYR 662 N 1.66 2.60 -0.16 5.22 2.02 -0.18 -0.78 117.35 127.74 1xsj s TYR 662 Ca 0.11 -0.23 -0.03 0.00 -0.37 0.00 0.00 57.07 56.55 1xsj s TYR 662 Cb -0.18 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.80 1xsj s TYR 662 CO -0.26 0.18 -0.06 0.08 -1.57 0.00 0.00 175.55 173.92 1xsj s VAL 663 N -0.78 3.64 0.78 0.71 1.01 0.22 -0.31 120.40 125.67 1xsj s VAL 663 Ca 0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1xsj s VAL 663 Cb -0.10 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.75 1xsj s VAL 663 CO 0.02 0.49 1.09 0.00 0.00 0.00 0.00 175.10 176.70 1xsj s ARG 664 N 0.51 2.21 1.00 2.72 1.70 -0.88 -1.17 118.95 125.04 1xsj s ARG 664 Ca -0.05 1.18 -0.12 0.00 -0.47 0.00 0.00 55.73 56.27 1xsj s ARG 664 Cb -0.15 -1.89 0.19 0.00 -0.57 0.00 0.00 34.95 32.53 1xsj s ARG 664 CO 0.03 -1.68 1.09 0.16 -1.08 0.00 0.00 175.30 173.82 1xsj s ASP 665 N -3.37 2.57 -1.41 -2.89 3.84 -1.19 -3.90 116.67 110.31 1xsj s ASP 665 Ca 0.61 1.29 -0.06 0.00 -0.00 0.00 0.00 52.55 54.39 1xsj s ASP 665 Cb -0.17 -1.97 0.04 0.00 -1.38 0.00 0.00 42.92 39.44 1xsj s ASP 665 CO 0.56 -3.18 0.81 0.59 -0.00 0.00 0.00 175.17 173.95 1xsj n ASN 666 N -4.22 -2.71 -4.15 2.11 3.02 -0.47 -4.98 115.26 103.86 1xsj n ASN 666 Ca 0.05 -0.81 -0.27 0.00 -0.03 0.00 0.00 54.58 53.52 1xsj n ASN 666 Cb 0.56 -3.94 -0.16 0.00 -0.61 0.00 0.00 39.78 35.63 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 -3.53 1.56 -0.25 3.41 2.01 -1.11 -4.62 115.64 113.12 1xsj s THR 667 Ca 0.29 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 1xsj s THR 667 Cb -0.14 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.04 1xsj s THR 667 CO 0.82 0.45 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.92 1xsj s LEU 668 N 0.12 3.16 -0.01 4.42 2.96 -1.26 -0.76 118.68 127.32 1xsj s LEU 668 Ca -0.07 -0.81 0.08 0.00 -0.22 0.00 0.00 54.13 53.12 1xsj s LEU 668 Cb -0.13 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1xsj s LEU 668 CO 0.03 -0.12 -0.26 -0.22 -1.32 0.00 0.00 176.35 174.47 1xsj s LEU 669 N 1.35 2.07 -0.23 -0.68 2.96 -0.57 -4.27 118.68 119.31 1xsj s LEU 669 Ca 0.01 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.35 1xsj s LEU 669 Cb -0.16 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 1xsj s LEU 669 CO -0.04 0.31 0.08 0.00 -1.32 0.00 0.00 176.35 175.38 1xsj s ALA 670 N -0.65 3.29 0.07 5.97 0.00 -1.26 -0.33 121.76 128.84 1xsj s ALA 670 Ca 0.10 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1xsj s ALA 670 Cb -0.10 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1xsj s ALA 670 CO -0.00 -0.29 -0.02 -0.51 0.00 0.00 0.00 175.76 174.94 1xsj s LEU 671 N 1.24 3.38 0.57 0.00 1.43 -0.02 -3.27 118.68 122.00 1xsj s LEU 671 Ca 0.05 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 1xsj s LEU 671 Cb -0.14 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 44.07 1xsj s LEU 671 CO 0.04 0.20 0.78 -0.83 0.23 0.00 0.00 176.35 176.77 1xsj s GLY 672 N -2.13 1.78 -0.16 -3.19 0.00 0.13 0.28 107.32 104.04 1xsj s GLY 672 Ca 0.24 -1.93 0.16 0.00 0.00 0.00 0.00 44.72 43.18 1xsj s GLY 672 CO 0.16 -1.51 1.51 1.16 0.00 0.00 0.00 173.10 174.41 1xsj n ASN 673 N -2.28 4.34 -3.95 1.64 6.94 -1.26 -4.78 115.26 115.92 1xsj n ASN 673 Ca 0.14 -2.78 -0.28 0.00 -0.02 0.00 0.00 54.58 51.63 1xsj n ASN 673 Cb 0.61 -0.54 -0.17 0.00 -2.36 0.00 0.00 39.78 37.32 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 -1.39 2.51 -0.27 0.53 3.84 -1.26 -5.00 114.94 113.90 1xsj s ASN 674 Ca 0.44 -0.45 0.12 0.00 0.21 0.00 0.00 52.86 53.19 1xsj s ASN 674 Cb 0.33 -0.99 0.64 0.00 -0.55 0.00 0.00 41.25 40.68 1xsj s ASN 674 CO 0.14 -0.11 1.62 -0.90 -2.79 0.00 0.00 177.10 175.07 1xsj n ASP 675 N 4.86 4.19 -0.01 -4.21 5.68 -1.26 -3.42 116.55 122.38 1xsj n ASP 675 Ca -0.14 -3.24 0.02 0.00 -0.50 0.00 0.00 54.79 50.93 1xsj n ASP 675 Cb 0.50 -0.66 -0.04 0.00 -1.14 0.00 0.00 41.12 39.77 1xsj n ASP 675 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xsj n GLN 676 N -0.39 0.70 -3.71 0.11 1.13 -1.26 -4.20 117.38 109.75 1xsj n GLN 676 Ca 0.33 -0.04 -0.14 0.00 -1.94 0.00 0.00 57.00 55.21 1xsj n GLN 676 Cb 1.16 -1.14 -0.08 0.00 0.11 0.00 0.00 30.24 30.30 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 0.79 0.29 -1.09 1.70 -1.26 -4.75 118.95 112.27 1xsj s ARG 677 Ca -0.02 -0.21 0.16 0.00 -0.47 0.00 0.00 55.73 55.19 1xsj s ARG 677 Cb 0.03 0.35 0.10 0.00 -0.57 0.00 0.00 34.95 34.87 1xsj s ARG 677 CO 0.24 -0.24 1.46 -1.00 -1.08 0.00 0.00 175.30 174.68 1xsj h PRO 678 N 3.51 0.00 -4.44 3.89 0.13 -1.87 -3.44 132.00 129.78 1xsj h PRO 678 Ca -0.30 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.11 1xsj h PRO 678 Cb 1.18 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.05 1xsj h PRO 678 CO 0.41 0.47 -0.44 0.16 -0.23 0.00 0.00 178.00 178.38 1xsj s ASP 679 N -6.44 5.78 0.29 1.44 -4.77 -1.26 -4.89 116.67 106.81 1xsj s ASP 679 Ca 0.04 -1.38 -0.09 0.00 -3.30 0.00 0.00 52.55 47.83 1xsj s ASP 679 Cb 0.08 -2.04 0.03 0.00 -1.09 0.00 0.00 42.92 39.90 1xsj s ASP 679 CO 0.74 -0.54 0.53 0.00 0.70 0.00 0.00 175.17 176.60 1xsj n TYR 680 N 5.00 -1.82 -2.80 2.11 4.11 -1.26 -5.04 117.16 117.47 1xsj n TYR 680 Ca -0.11 -1.48 -0.43 0.00 -0.00 0.00 0.00 57.90 55.89 1xsj n TYR 680 Cb 0.44 0.62 -0.03 0.00 -0.00 0.00 0.00 39.34 40.37 1xsj n TYR 680 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1xsj s VAL 681 N -2.43 4.42 0.40 -3.48 0.11 -1.26 -4.84 120.40 113.32 1xsj s VAL 681 Ca 0.14 -1.11 0.10 0.00 -2.93 0.00 0.00 61.98 58.19 1xsj s VAL 681 Cb -0.03 -4.85 0.17 0.00 -1.53 0.00 0.00 36.38 30.15 1xsj s VAL 681 CO 0.11 -1.63 1.95 -0.50 -3.33 0.00 0.00 175.10 171.69 1xsj h TRP 682 N 9.24 0.21 -0.03 1.54 6.55 -1.97 -2.68 115.95 128.82 1xsj h TRP 682 Ca 0.09 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.91 1xsj h TRP 682 Cb 1.03 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.26 1xsj h TRP 682 CO 1.17 0.32 0.00 -2.39 -1.05 0.00 0.00 178.44 176.49 1xsj n HIS 683 N -4.31 0.03 -4.35 0.49 1.44 -1.26 -4.29 115.22 102.97 1xsj n HIS 683 Ca -0.01 -0.02 -0.34 0.00 -2.01 0.00 0.00 57.72 55.35 1xsj n HIS 683 Cb 0.24 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.22 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 -1.97 3.56 0.00 -1.40 2.02 -1.01 -1.81 118.70 118.09 1xsj s GLU 684 Ca 0.39 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.81 1xsj s GLU 684 Cb 0.20 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1xsj s GLU 684 CO 0.32 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1xsj n GLY 685 N 3.85 0.55 3.73 -1.39 0.00 -0.16 -4.67 105.19 107.10 1xsj n GLY 685 Ca -0.18 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1xsj n GLY 685 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsj s THR 686 N -2.00 2.20 -0.33 2.61 2.01 -1.26 -4.30 115.64 114.57 1xsj s THR 686 Ca 0.00 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.08 1xsj s THR 686 Cb 0.00 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.43 1xsj s THR 686 CO 0.00 0.02 0.12 0.00 -0.69 0.00 0.00 174.62 174.07 1xsj s ALA 687 N 0.62 3.12 0.18 7.40 0.00 0.14 -1.59 121.76 131.64 1xsj s ALA 687 Ca 0.68 -1.61 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 1xsj s ALA 687 Cb -0.47 -2.31 -0.07 0.00 0.00 0.00 0.00 23.12 20.27 1xsj s ALA 687 CO 0.39 -1.17 0.53 -0.06 0.00 0.00 0.00 175.76 175.45 1xsj s PHE 688 N 1.48 3.51 -0.11 0.00 0.08 0.45 -0.84 117.98 122.55 1xsj s PHE 688 Ca 0.01 0.93 -0.01 0.00 0.12 0.00 0.00 56.93 57.98 1xsj s PHE 688 Cb -0.18 -2.28 0.03 0.00 -0.57 0.00 0.00 43.02 40.01 1xsj s PHE 688 CO 0.04 0.36 -0.05 -1.01 -0.10 0.00 0.00 175.22 174.45 1xsj s HIS 689 N -1.64 1.26 -0.16 0.36 3.76 0.55 0.15 115.29 119.57 1xsj s HIS 689 Ca 0.42 -0.62 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 1xsj s HIS 689 Cb -0.13 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 1xsj s HIS 689 CO 0.20 -0.48 0.34 -1.17 -0.85 0.00 0.00 174.74 172.79 1xsj s LEU 690 N 1.78 4.23 -0.20 0.89 2.96 0.17 -1.51 118.68 127.01 1xsj s LEU 690 Ca 0.04 0.56 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 1xsj s LEU 690 Cb -0.13 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.13 1xsj s LEU 690 CO -0.07 0.05 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.49 1xsj s PHE 691 N 0.63 2.86 -1.17 5.38 0.08 0.07 -2.04 117.98 123.79 1xsj s PHE 691 Ca 0.19 -1.61 -0.28 0.00 0.12 0.00 0.00 56.93 55.35 1xsj s PHE 691 Cb -0.14 -1.95 0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1xsj s PHE 691 CO 0.06 -0.78 0.74 0.09 -0.10 0.00 0.00 175.22 175.23 1xsj n ASN 692 N 4.63 -4.74 -4.61 1.36 4.13 -1.26 -1.37 115.26 113.40 1xsj n ASN 692 Ca -0.20 -1.16 -0.43 0.00 1.68 0.00 0.00 54.58 54.47 1xsj n ASN 692 Cb 0.49 -2.47 -0.02 0.00 -1.54 0.00 0.00 39.78 36.24 1xsj n ASN 692 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xsj s LEU 693 N -6.94 3.64 0.63 3.41 0.20 -1.26 -1.71 118.68 116.64 1xsj s LEU 693 Ca 0.48 0.84 -0.13 0.00 0.69 0.00 0.00 54.13 56.00 1xsj s LEU 693 Cb -0.22 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 41.97 1xsj s LEU 693 CO 0.92 -1.35 1.04 -1.10 -0.29 0.00 0.00 176.35 175.58 1xsj s GLN 694 N 4.74 3.29 0.05 1.98 -0.21 -1.26 -4.98 119.66 123.27 1xsj s GLN 694 Ca 0.58 1.01 -0.30 0.00 0.02 0.00 0.00 55.36 56.67 1xsj s GLN 694 Cb -0.13 -2.04 -0.08 0.00 1.00 0.00 0.00 33.01 31.76 1xsj s GLN 694 CO 0.31 -0.82 1.71 0.34 -2.12 0.00 0.00 175.29 174.71 1xsj s ASP 695 N -3.42 6.57 0.00 5.90 2.15 -1.26 -2.62 116.67 124.00 1xsj s ASP 695 Ca 0.60 2.50 0.00 0.00 0.43 0.00 0.00 52.55 56.08 1xsj s ASP 695 Cb -0.14 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1xsj s ASP 695 CO 0.46 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 1xsj n GLY 696 N 4.11 2.79 3.93 2.66 0.00 -0.06 -5.03 105.19 113.59 1xsj n GLY 696 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.74 3.20 -0.04 1.61 3.76 -1.08 -4.86 115.29 115.14 1xsj s HIS 697 Ca 0.00 0.54 0.01 0.00 -0.15 0.00 0.00 55.06 55.46 1xsj s HIS 697 Cb 0.00 -2.73 0.02 0.00 1.11 0.00 0.00 32.58 30.98 1xsj s HIS 697 CO 0.00 -0.83 -0.04 -2.00 -0.85 0.00 0.00 174.74 171.02 1xsj s GLU 698 N -4.95 0.78 -0.15 1.40 2.12 -1.26 -1.97 118.70 114.66 1xsj s GLU 698 Ca 0.54 -0.09 -0.07 0.00 0.36 0.00 0.00 54.97 55.71 1xsj s GLU 698 Cb -0.10 -0.80 -0.04 0.00 0.26 0.00 0.00 34.13 33.44 1xsj s GLU 698 CO 0.44 -0.08 0.08 0.00 -0.54 0.00 0.00 175.26 175.16 1xsj s ALA 699 N 0.90 3.56 -0.07 6.30 0.00 0.11 -4.96 121.76 127.61 1xsj s ALA 699 Ca -0.11 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1xsj s ALA 699 Cb -0.14 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 1xsj s ALA 699 CO 0.00 0.35 -0.24 0.08 0.00 0.00 0.00 175.76 175.96 1xsj s VAL 700 N -0.18 1.97 -0.07 0.00 1.01 -1.26 -0.89 120.40 120.98 1xsj s VAL 700 Ca 0.08 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1xsj s VAL 700 Cb -0.12 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1xsj s VAL 700 CO 0.01 0.55 -0.10 0.00 0.00 0.00 0.00 175.10 175.56 1xsj s GLU 702 N 0.85 2.94 -0.13 0.00 2.02 -1.26 -0.93 118.70 122.18 1xsj s GLU 702 Ca -0.11 -0.90 -0.20 0.00 0.02 0.00 0.00 54.97 53.78 1xsj s GLU 702 Cb -0.15 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 1xsj s GLU 702 CO 0.02 -0.34 0.55 0.08 0.02 0.00 0.00 175.26 175.58 1xsj s VAL 703 N 1.35 5.12 0.32 2.63 1.01 0.26 -4.83 120.40 126.25 1xsj s VAL 703 Ca 0.02 1.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.95 1xsj s VAL 703 Cb -0.16 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1xsj s VAL 703 CO -0.05 0.25 0.71 -2.16 0.00 0.00 0.00 175.10 173.85 1xsj s PRO 704 N 1.03 3.93 0.95 2.72 0.04 -1.26 -0.70 135.00 141.70 1xsj s PRO 704 Ca 0.28 0.56 -0.15 0.00 0.04 0.00 0.00 61.00 61.74 1xsj s PRO 704 Cb -0.16 -2.46 0.20 0.00 0.04 0.00 0.00 34.50 32.12 1xsj s PRO 704 CO 0.12 0.15 1.30 0.00 0.04 0.00 0.00 177.00 178.61 1xsj s ALA 705 N -2.02 2.37 0.44 8.56 0.00 0.39 -4.71 121.76 126.79 1xsj s ALA 705 Ca 0.52 -1.31 0.35 0.00 0.00 0.00 0.00 51.96 51.52 1xsj s ALA 705 Cb -0.10 -2.67 1.78 0.00 0.00 0.00 0.00 23.12 22.12 1xsj s ALA 705 CO 0.20 -2.39 2.16 0.00 0.00 0.00 0.00 175.76 175.74 1xsj h ALA 706 N -1.57 1.15 -0.57 0.00 0.00 -1.94 -1.78 119.26 114.55 1xsj h ALA 706 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xsj h ALA 706 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xsj h ALA 706 CO 0.36 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.27 1xsj n ASP 707 N -3.36 3.06 0.00 0.00 5.68 -1.26 -4.79 116.55 115.88 1xsj n ASP 707 Ca -0.02 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1xsj n ASP 707 Cb 0.19 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1xsj n ASP 707 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsj n GLY 708 N 1.40 3.08 3.72 6.12 0.00 -0.67 -5.05 105.19 113.78 1xsj n GLY 708 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 0.12 4.22 -0.16 1.61 1.04 -1.26 -4.62 113.70 114.65 1xsj s SER 709 Ca 0.00 2.36 -0.29 0.00 0.48 0.00 0.00 55.95 58.50 1xsj s SER 709 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 1xsj s SER 709 CO 0.00 -2.25 1.32 -0.69 0.98 0.00 0.00 173.24 172.60 1xsj s VAL 710 N -1.97 4.18 -0.17 5.02 1.01 -1.26 -0.46 120.40 126.74 1xsj s VAL 710 Ca 0.74 1.42 0.22 0.00 0.00 0.00 0.00 61.98 64.36 1xsj s VAL 710 Cb -0.29 -3.93 -0.31 0.00 0.00 0.00 0.00 36.38 31.85 1xsj s VAL 710 CO 0.45 -0.14 0.57 0.00 0.00 0.00 0.00 175.10 175.98 1xsj n ILE 711 N 5.43 0.03 -3.64 2.22 3.06 0.12 -4.85 119.36 121.73 1xsj n ILE 711 Ca 0.14 -0.44 -0.11 0.00 -2.50 0.00 0.00 62.75 59.85 1xsj n ILE 711 Cb 0.45 0.11 -0.07 0.00 0.54 0.00 0.00 39.64 40.67 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 -3.44 -0.90 -0.10 9.51 5.36 -1.15 -1.41 117.98 125.86 1xsj s PHE 712 Ca -0.06 1.99 0.04 0.00 -0.96 0.00 0.00 56.93 57.94 1xsj s PHE 712 Cb 0.14 0.42 0.00 0.00 -0.34 0.00 0.00 43.02 43.24 1xsj s PHE 712 CO 0.90 -0.44 -0.22 0.99 -1.46 0.00 0.00 175.22 174.99 1xsj s THR 713 N 0.92 1.91 -0.08 0.12 2.01 -0.48 -0.58 115.64 119.47 1xsj s THR 713 Ca -0.04 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.07 1xsj s THR 713 Cb -0.05 -1.66 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 1xsj s THR 713 CO -0.08 0.53 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.94 1xsj s LEU 714 N 0.41 2.00 -0.04 4.42 2.96 -0.11 -1.06 118.68 127.27 1xsj s LEU 714 Ca -0.18 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.29 1xsj s LEU 714 Cb -0.18 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.25 1xsj s LEU 714 CO 0.08 0.17 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.58 1xsj s LYS 715 N 0.20 1.60 -0.14 1.98 1.02 -0.35 -0.73 119.74 123.33 1xsj s LYS 715 Ca -0.12 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.33 1xsj s LYS 715 Cb -0.16 -1.41 0.02 0.00 -0.52 0.00 0.00 37.83 35.76 1xsj s LYS 715 CO 0.06 0.22 -0.16 0.00 -0.92 0.00 0.00 175.35 174.55 1xsj s ALA 716 N 0.05 1.88 -0.17 5.17 0.00 -0.07 -0.90 121.76 127.72 1xsj s ALA 716 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1xsj s ALA 716 Cb -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.04 1xsj s ALA 716 CO 0.02 -0.23 -0.17 0.00 0.00 0.00 0.00 175.76 175.38 1xsj s ALA 717 N 1.22 2.43 -0.26 0.00 0.00 -0.35 -0.71 121.76 124.09 1xsj s ALA 717 Ca -0.01 -1.12 -0.18 0.00 0.00 0.00 0.00 51.96 50.65 1xsj s ALA 717 Cb -0.14 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1xsj s ALA 717 CO -0.07 -0.17 0.52 0.50 0.00 0.00 0.00 175.76 176.54 1xsj s ARG 718 N 1.04 4.08 -0.22 0.00 3.52 -0.83 -0.26 118.95 126.27 1xsj s ARG 718 Ca -0.01 0.34 -0.16 0.00 -0.13 0.00 0.00 55.73 55.77 1xsj s ARG 718 Cb -0.15 -3.65 -0.11 0.00 -1.56 0.00 0.00 34.95 29.49 1xsj s ARG 718 CO -0.05 -0.34 -0.21 -2.37 -0.81 0.00 0.00 175.30 171.52 1xsj n THR 719 N 5.12 1.51 0.00 4.11 5.66 0.96 -0.88 114.28 130.76 1xsj n THR 719 Ca -0.04 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1xsj n THR 719 Cb 0.50 -2.11 0.00 0.00 -1.55 0.00 0.00 70.33 67.16 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 1.40 1.66 1.31 1.09 0.00 -1.26 -4.45 105.19 104.94 1xsj n GLY 720 Ca -0.32 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 3.83 -4.53 1.61 4.13 -1.26 -4.80 115.26 114.25 1xsj n ASN 721 Ca 0.00 -2.13 -0.34 0.00 1.68 0.00 0.00 54.58 53.80 1xsj n ASN 721 Cb 0.00 -0.48 -0.12 0.00 -1.54 0.00 0.00 39.78 37.64 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 -1.33 3.95 -0.12 3.41 2.01 -1.26 0.10 115.64 122.41 1xsj s THR 722 Ca 0.45 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1xsj s THR 722 Cb 0.25 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 70.06 1xsj s THR 722 CO 0.28 0.51 -0.19 0.27 -0.69 0.00 0.00 174.62 174.80 1xsj s ILE 723 N 0.16 1.77 -0.29 1.82 -4.36 -0.26 -0.03 121.20 120.01 1xsj s ILE 723 Ca -0.01 -0.82 -0.13 0.00 -0.26 0.00 0.00 60.65 59.44 1xsj s ILE 723 Cb -0.14 -1.58 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 1xsj s ILE 723 CO 0.03 0.49 0.26 -0.89 0.24 0.00 0.00 174.94 175.07 1xsj s THR 724 N 0.80 5.26 -0.32 8.37 2.01 0.64 -1.39 115.64 131.01 1xsj s THR 724 Ca -0.09 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.00 1xsj s THR 724 Cb -0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1xsj s THR 724 CO 0.00 0.16 0.17 -0.69 -0.69 0.00 0.00 174.62 173.56 1xsj s VAL 725 N 1.85 4.70 -0.08 3.82 1.01 0.11 -1.21 120.40 130.61 1xsj s VAL 725 Ca 0.09 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1xsj s VAL 725 Cb -0.16 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1xsj s VAL 725 CO 0.11 0.05 -0.18 0.42 0.00 0.00 0.00 175.10 175.49 1xsj s THR 726 N 1.63 1.61 0.21 3.92 -4.23 -0.08 -0.59 115.64 118.11 1xsj s THR 726 Ca 0.05 -0.76 0.07 0.00 -1.18 0.00 0.00 61.69 59.86 1xsj s THR 726 Cb -0.17 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.22 1xsj s THR 726 CO 0.07 0.46 0.14 -0.83 -0.54 0.00 0.00 174.62 173.91 1xsj s GLY 727 N 0.42 1.57 -0.12 3.99 0.00 -0.37 -1.22 107.32 111.60 1xsj s GLY 727 Ca -0.15 -1.36 -0.08 0.00 0.00 0.00 0.00 44.72 43.13 1xsj s GLY 727 CO 0.06 -1.39 0.29 0.00 0.00 0.00 0.00 173.10 172.06 1xsj s ALA 728 N -1.97 -0.70 0.00 3.20 0.00 -0.22 -4.83 121.76 117.24 1xsj s ALA 728 Ca 0.31 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1xsj s ALA 728 Cb -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1xsj s ALA 728 CO 0.23 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1xsj n GLY 729 N 3.79 0.24 3.09 0.00 0.00 -1.26 -1.38 105.19 109.67 1xsj n GLY 729 Ca -0.21 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 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 2.64 0.09 1.61 2.12 -0.50 -4.98 118.70 119.68 1xsj s GLU 730 Ca 0.00 -0.94 -0.17 0.00 0.36 0.00 0.00 54.97 54.22 1xsj s GLU 730 Cb 0.00 -2.60 0.04 0.00 0.26 0.00 0.00 34.13 31.82 1xsj s GLU 730 CO 0.00 -0.33 0.41 0.00 -0.54 0.00 0.00 175.26 174.80 1xsj s ALA 731 N 1.27 -0.97 0.01 6.30 0.00 -1.26 -4.41 121.76 122.69 1xsj s ALA 731 Ca 0.01 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1xsj s ALA 731 Cb -0.15 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 1xsj s ALA 731 CO -0.10 -0.56 -0.07 0.15 0.00 0.00 0.00 175.76 175.18 1xsj s LYS 732 N -3.21 0.54 -1.61 0.00 1.02 -0.75 -4.94 119.74 110.80 1xsj s LYS 732 Ca -0.01 -0.36 -0.13 0.00 0.02 0.00 0.00 55.97 55.49 1xsj s LYS 732 Cb 0.01 -0.49 0.11 0.00 -0.52 0.00 0.00 37.83 36.94 1xsj s LYS 732 CO -0.08 0.13 0.71 0.09 -0.92 0.00 0.00 175.35 175.28 1xsj n ASN 733 N 2.59 -2.67 -4.92 2.83 5.03 -1.26 -0.99 115.26 115.87 1xsj n ASN 733 Ca -0.15 -0.99 -0.26 0.00 0.87 0.00 0.00 54.58 54.05 1xsj n ASN 733 Cb 0.57 -2.95 -0.01 0.00 -1.02 0.00 0.00 39.78 36.37 1xsj n ASN 733 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 1xsj s TRP 734 N -3.48 3.53 0.22 3.10 1.48 -1.26 -3.82 118.94 118.71 1xsj s TRP 734 Ca 0.54 0.60 0.06 0.00 -1.06 0.00 0.00 56.10 56.24 1xsj s TRP 734 Cb -0.29 -2.11 -0.05 0.00 -1.16 0.00 0.00 33.47 29.86 1xsj s TRP 734 CO 0.91 -0.08 -0.10 0.95 -4.06 0.00 0.00 176.95 174.57 1xsj s THR 735 N -2.52 1.53 -0.15 0.66 -4.23 -0.62 -4.40 115.64 105.91 1xsj s THR 735 Ca 0.44 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1xsj s THR 735 Cb -0.10 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.62 1xsj s THR 735 CO 0.40 -0.52 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.60 1xsj s LEU 736 N -3.32 1.73 -0.23 4.79 1.98 -0.33 -0.41 118.68 122.90 1xsj s LEU 736 Ca 0.24 -0.50 -0.14 0.00 -2.89 0.00 0.00 54.13 50.83 1xsj s LEU 736 Cb 0.02 -1.21 -0.04 0.00 0.66 0.00 0.00 46.19 45.62 1xsj s LEU 736 CO 0.07 -0.05 0.34 0.00 -1.89 0.00 0.00 176.35 174.82 1xsj s LEU 738 N 1.42 4.75 0.14 0.00 1.43 0.37 -0.66 118.68 126.13 1xsj s LEU 738 Ca 0.15 -1.55 -0.31 0.00 -1.03 0.00 0.00 54.13 51.39 1xsj s LEU 738 Cb -0.15 -2.41 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 1xsj s LEU 738 CO 0.08 -1.24 1.53 -0.13 0.23 0.00 0.00 176.35 176.82 1xsj s ARG 739 N 3.33 4.24 -1.73 1.70 1.81 -0.87 -2.05 118.95 125.38 1xsj s ARG 739 Ca 0.27 2.28 0.00 0.00 -1.72 0.00 0.00 55.73 56.56 1xsj s ARG 739 Cb -0.11 -3.23 0.00 0.00 -0.45 0.00 0.00 34.95 31.16 1xsj s ARG 739 CO -0.00 -0.58 0.00 0.09 -0.68 0.00 0.00 175.30 174.13 1xsj n ASN 740 N 4.15 -4.99 -4.17 0.23 3.02 -0.14 -4.72 115.26 108.63 1xsj n ASN 740 Ca 0.13 0.38 -0.35 0.00 -0.03 0.00 0.00 54.58 54.71 1xsj n ASN 740 Cb 0.40 -3.97 -0.13 0.00 -0.61 0.00 0.00 39.78 35.47 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 -2.63 3.06 -0.03 2.41 1.01 -0.87 -5.01 120.40 118.33 1xsj s VAL 741 Ca 0.00 -1.45 -0.19 0.00 0.00 0.00 0.00 61.98 60.34 1xsj s VAL 741 Cb 0.00 -2.80 -0.33 0.00 0.00 0.00 0.00 36.38 33.26 1xsj s VAL 741 CO 0.00 -0.18 0.89 -0.37 0.00 0.00 0.00 175.10 175.45 1xsj h VAL 742 N 6.44 1.38 -3.96 2.92 -1.51 -1.94 -0.52 116.25 119.06 1xsj h VAL 742 Ca -0.20 -2.58 -0.31 0.00 -1.23 0.00 0.00 66.70 62.38 1xsj h VAL 742 Cb 1.06 3.10 -0.22 0.00 -2.13 0.00 0.00 31.29 33.10 1xsj h VAL 742 CO 0.55 0.75 -0.75 -0.75 -1.23 0.00 0.00 177.57 176.15 1xsj s LYS 743 N -2.49 0.58 0.08 5.19 2.20 -1.26 -4.61 119.74 119.43 1xsj s LYS 743 Ca -0.13 -0.74 0.06 0.00 -0.36 0.00 0.00 55.97 54.80 1xsj s LYS 743 Cb 0.02 -0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 35.90 1xsj s LYS 743 CO 0.86 0.08 -0.16 0.54 -0.36 0.00 0.00 175.35 176.31 1xsj s VAL 744 N -1.24 1.31 -0.02 4.02 0.11 -1.26 -4.28 120.40 119.04 1xsj s VAL 744 Ca -0.07 -1.38 -0.09 0.00 -2.93 0.00 0.00 61.98 57.51 1xsj s VAL 744 Cb -0.09 -1.23 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 1xsj s VAL 744 CO 0.01 -0.17 0.55 -1.13 -3.33 0.00 0.00 175.10 171.03 1xsj h ASN 745 N 4.23 -0.26 -4.12 3.54 -1.24 -1.50 -3.44 115.58 112.78 1xsj h ASN 745 Ca -0.43 0.01 -0.67 0.00 0.71 0.00 0.00 56.30 55.92 1xsj h ASN 745 Cb 1.19 0.07 -0.24 0.00 0.73 0.00 0.00 38.32 40.07 1xsj h ASN 745 CO 0.40 -0.03 -0.87 -0.83 -1.29 0.00 0.00 177.43 174.81 1xsj s GLY 746 N -2.28 1.44 -0.30 1.57 0.00 -0.56 -4.97 107.32 102.22 1xsj s GLY 746 Ca -0.05 -1.34 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 1xsj s GLY 746 CO 0.14 -1.28 0.24 -2.27 0.00 0.00 0.00 173.10 169.92 1xsj s LEU 747 N -1.66 0.11 -0.43 0.66 0.20 -1.26 -0.25 118.68 116.05 1xsj s LEU 747 Ca 0.12 -1.07 -0.18 0.00 0.69 0.00 0.00 54.13 53.69 1xsj s LEU 747 Cb -0.10 0.16 0.03 0.00 -0.43 0.00 0.00 46.19 45.84 1xsj s LEU 747 CO 0.04 -0.40 0.48 -1.10 -0.29 0.00 0.00 176.35 175.08 1xsj s GLN 748 N 2.14 3.11 0.00 1.98 -1.52 -0.84 -4.44 119.66 120.09 1xsj s GLN 748 Ca 0.10 -0.76 0.00 0.00 -1.95 0.00 0.00 55.36 52.75 1xsj s GLN 748 Cb -0.15 -3.99 0.00 0.00 -0.22 0.00 0.00 33.01 28.65 1xsj s GLN 748 CO -0.31 -0.92 0.00 -0.25 -0.25 0.00 0.00 175.29 173.57 1xsj n ASP 749 N 5.71 -1.13 -3.78 5.90 10.43 -1.26 -3.17 116.55 129.26 1xsj n ASP 749 Ca -0.07 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.24 1xsj n ASP 749 Cb 0.47 -0.28 -0.02 0.00 1.84 0.00 0.00 41.12 43.13 1xsj n ASP 749 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1xsj s GLY 750 N -2.51 -0.20 0.45 0.44 0.00 -1.26 -0.80 107.32 103.44 1xsj s GLY 750 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 44.72 44.81 1xsj s GLY 750 CO 0.00 -0.02 0.61 -1.35 0.00 0.00 0.00 173.10 172.35 1xsj s SER 751 N -2.92 5.57 -0.01 1.64 1.04 -0.72 -4.94 113.70 113.35 1xsj s SER 751 Ca 0.12 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 1xsj s SER 751 Cb -0.03 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1xsj s SER 751 CO 0.03 -0.85 0.06 0.00 0.98 0.00 0.00 173.24 173.47 1xsj s GLN 752 N -4.43 0.19 -0.03 4.02 -2.07 -1.26 -1.97 119.66 114.12 1xsj s GLN 752 Ca 0.56 -0.12 -0.03 0.00 -1.82 0.00 0.00 55.36 53.95 1xsj s GLN 752 Cb -0.10 0.08 0.01 0.00 -1.09 0.00 0.00 33.01 31.91 1xsj s GLN 752 CO 0.34 -0.03 0.08 0.00 -1.32 0.00 0.00 175.29 174.36 1xsj s ALA 753 N -0.48 -0.20 0.67 2.60 0.00 0.16 -5.01 121.76 119.51 1xsj s ALA 753 Ca -0.05 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 1xsj s ALA 753 Cb -0.04 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1xsj s ALA 753 CO 0.00 -0.06 1.19 -1.21 0.00 0.00 0.00 175.76 175.68 1xsj s GLU 754 N -0.17 2.54 0.18 0.00 2.02 -1.26 -0.39 118.70 121.62 1xsj s GLU 754 Ca -0.02 1.73 -0.08 0.00 0.02 0.00 0.00 54.97 56.62 1xsj s GLU 754 Cb -0.02 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 1xsj s GLU 754 CO 0.00 -1.52 0.28 -1.54 0.02 0.00 0.00 175.26 172.51 1xsj s SER 755 N -1.95 0.05 0.14 -0.19 1.04 -1.01 -4.74 113.70 107.04 1xsj s SER 755 Ca 0.74 -0.98 0.12 0.00 0.48 0.00 0.00 55.95 56.31 1xsj s SER 755 Cb -0.28 0.45 0.59 0.00 0.10 0.00 0.00 66.02 66.87 1xsj s SER 755 CO 0.40 -0.92 1.36 -1.84 0.98 0.00 0.00 173.24 173.22 1xsj n GLU 756 N -0.25 0.07 0.00 4.02 0.28 -1.26 -2.04 120.64 121.47 1xsj n GLU 756 Ca -0.05 0.52 0.01 0.00 -0.16 0.00 0.00 57.16 57.48 1xsj n GLU 756 Cb 0.63 -1.71 0.01 0.00 1.43 0.00 0.00 31.44 31.80 1xsj n GLU 756 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1xsj n GLN 757 N -1.85 0.34 0.00 3.44 6.02 -1.26 -5.00 117.38 119.07 1xsj n GLN 757 Ca 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 1xsj n GLN 757 Cb 0.05 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 0.26 2.43 3.70 1.08 0.00 -0.86 -0.97 105.19 110.82 1xsj n GLY 758 Ca 0.01 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1xsj n GLY 758 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsj s LEU 759 N 0.00 4.37 -0.32 0.99 2.96 -0.20 -2.41 118.68 124.07 1xsj s LEU 759 Ca 0.00 2.51 -0.13 0.00 -0.22 0.00 0.00 54.13 56.30 1xsj s LEU 759 Cb 0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1xsj s LEU 759 CO 0.00 -0.87 0.24 -0.69 -1.32 0.00 0.00 176.35 173.71 1xsj s VAL 760 N 2.33 5.28 -0.11 1.68 1.01 0.47 -0.48 120.40 130.59 1xsj s VAL 760 Ca 0.73 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 1xsj s VAL 760 Cb -0.41 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1xsj s VAL 760 CO 0.32 0.08 0.18 -0.69 0.00 0.00 0.00 175.10 174.99 1xsj s VAL 761 N 1.78 5.43 -0.19 2.92 1.01 0.02 -0.66 120.40 130.72 1xsj s VAL 761 Ca 0.07 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1xsj s VAL 761 Cb -0.17 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1xsj s VAL 761 CO 0.11 0.60 -0.16 -0.75 0.00 0.00 0.00 175.10 174.90 1xsj s LYS 762 N -0.95 3.05 0.66 2.72 2.47 -0.83 -1.18 119.74 125.66 1xsj s LYS 762 Ca 0.16 -0.80 -0.13 0.00 -1.56 0.00 0.00 55.97 53.64 1xsj s LYS 762 Cb -0.13 -2.67 -0.01 0.00 -1.46 0.00 0.00 37.83 33.56 1xsj s LYS 762 CO 0.05 -0.22 1.06 -1.25 0.16 0.00 0.00 175.35 175.15 1xsj s PRO 763 N 1.32 3.06 -0.05 4.03 0.04 -1.26 -1.76 135.00 140.38 1xsj s PRO 763 Ca 0.05 1.06 0.15 0.00 0.04 0.00 0.00 61.00 62.30 1xsj s PRO 763 Cb -0.13 -2.00 -0.22 0.00 0.04 0.00 0.00 34.50 32.18 1xsj s PRO 763 CO -0.11 -1.01 0.57 1.04 0.04 0.00 0.00 177.00 177.54 1xsj n GLN 764 N -2.71 0.64 0.00 4.56 1.13 0.02 -4.89 117.38 116.13 1xsj n GLN 764 Ca 0.08 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1xsj n GLN 764 Cb 0.53 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 1.55 3.89 0.19 1.08 0.00 -1.26 -5.02 105.19 105.62 1xsj n GLY 765 Ca -0.18 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.31 -3.24 1.61 0.23 -1.26 -4.69 115.26 108.22 1xsj n ASN 766 Ca 0.00 -1.64 -0.04 0.00 -0.53 0.00 0.00 54.58 52.37 1xsj n ASN 766 Cb 0.00 -0.16 -0.03 0.00 -2.08 0.00 0.00 39.78 37.51 1xsj n ASN 766 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsj s ALA 767 N -1.62 -1.69 -0.02 -2.53 0.00 -1.25 -1.24 121.76 113.41 1xsj s ALA 767 Ca 0.00 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.45 1xsj s ALA 767 Cb 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 1xsj s ALA 767 CO 0.00 -1.85 -0.19 -0.51 0.00 0.00 0.00 175.76 173.21 1xsj s LEU 768 N 2.51 2.51 0.03 0.00 1.43 0.24 -4.88 118.68 120.52 1xsj s LEU 768 Ca 0.11 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 1xsj s LEU 768 Cb -0.11 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1xsj s LEU 768 CO -0.25 0.31 -0.26 0.28 0.23 0.00 0.00 176.35 176.67 1xsj s THR 769 N -0.75 2.18 -0.02 5.49 -1.32 -1.19 0.10 115.64 120.12 1xsj s THR 769 Ca 0.12 -1.30 0.04 0.00 -1.21 0.00 0.00 61.69 59.34 1xsj s THR 769 Cb -0.10 -1.83 -0.01 0.00 -1.51 0.00 0.00 72.50 69.05 1xsj s THR 769 CO 0.01 0.42 -0.14 -0.63 -2.21 0.00 0.00 174.62 172.08 1xsj s ILE 770 N -0.76 1.10 -0.22 5.08 1.01 -0.49 -1.98 121.20 124.94 1xsj s ILE 770 Ca 0.11 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1xsj s ILE 770 Cb -0.10 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.46 1xsj s ILE 770 CO 0.01 0.32 -0.11 -0.89 0.00 0.00 0.00 174.94 174.27 1xsj s THR 771 N -0.18 2.60 0.35 2.92 2.01 0.66 -1.10 115.64 122.89 1xsj s THR 771 Ca 0.02 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 60.79 1xsj s THR 771 Cb -0.07 -2.24 -0.10 0.00 0.01 0.00 0.00 72.50 70.11 1xsj s THR 771 CO 0.00 0.34 1.24 -0.76 -0.69 0.00 0.00 174.62 174.75 1xsj s LEU 772 N 1.32 4.37 0.00 4.42 1.43 0.28 -1.50 118.68 129.00 1xsj s LEU 772 Ca 0.02 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 1xsj s LEU 772 Cb -0.15 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1xsj s LEU 772 CO -0.07 -0.53 0.42 0.00 0.23 0.00 0.00 176.35 176.40