#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 4.42 -0.09 2.12 -0.14 -1.26 -4.90 119.74 119.89 1xsj s LYS 2 Ca 0.00 1.20 -0.06 0.00 -1.36 0.00 0.00 55.97 55.75 1xsj s LYS 2 Cb 0.00 -3.52 -0.04 0.00 -1.68 0.00 0.00 37.83 32.59 1xsj s LYS 2 CO 0.00 -0.20 -0.15 -0.89 -0.76 0.00 0.00 175.35 173.36 1xsj n ILE 3 N 4.33 0.83 -1.86 2.17 5.41 -1.26 -4.87 119.36 124.12 1xsj n ILE 3 Ca 0.05 -0.03 -0.30 0.00 1.00 0.00 0.00 62.75 63.47 1xsj n ILE 3 Cb 0.50 -1.73 0.04 0.00 -0.71 0.00 0.00 39.64 37.74 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 5.65 -0.59 4.38 1.04 -1.26 -1.22 113.70 115.69 1xsj s SER 4 Ca -0.15 1.24 0.04 0.00 0.48 0.00 0.00 55.95 57.56 1xsj s SER 4 Cb 0.05 -2.11 0.16 0.00 0.10 0.00 0.00 66.02 64.22 1xsj s SER 4 CO 0.19 -1.22 0.39 -0.62 0.98 0.00 0.00 173.24 172.97 1xsj s ASP 5 N -4.28 3.99 0.49 7.02 2.15 0.28 -4.29 116.67 122.03 1xsj s ASP 5 Ca 0.57 -3.41 0.00 0.00 0.43 0.00 0.00 52.55 50.15 1xsj s ASP 5 Cb -0.11 -1.34 0.00 0.00 -0.30 0.00 0.00 42.92 41.17 1xsj s ASP 5 CO 0.53 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.99 1xsj n GLY 6 N 2.53 -1.55 0.22 2.66 0.00 -1.26 -2.78 105.19 105.01 1xsj n GLY 6 Ca 0.18 -1.21 0.02 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.12 0.16 0.00 1.61 -1.24 -1.96 -3.33 115.58 110.71 1xsj h ASN 7 Ca 0.00 -0.04 -0.09 0.00 0.71 0.00 0.00 56.30 56.88 1xsj h ASN 7 Cb 0.12 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1xsj h ASN 7 CO 0.00 0.39 -2.10 0.79 -1.29 0.00 0.00 177.43 175.23 1xsj n TRP 8 N -4.22 0.00 -4.62 0.67 7.02 -1.26 -5.01 117.44 110.02 1xsj n TRP 8 Ca -0.01 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.19 1xsj n TRP 8 Cb 0.32 -0.62 -0.10 0.00 -2.42 0.00 0.00 31.31 28.49 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 -4.76 2.52 0.05 -0.99 1.43 -1.12 -5.02 118.68 110.80 1xsj s LEU 9 Ca -0.08 -1.48 0.09 0.00 -1.03 0.00 0.00 54.13 51.63 1xsj s LEU 9 Cb 0.12 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 1xsj s LEU 9 CO 0.89 -0.63 -0.25 -0.63 0.23 0.00 0.00 176.35 175.96 1xsj s ILE 10 N -2.90 2.24 0.24 -0.59 1.01 -1.26 -0.56 121.20 119.38 1xsj s ILE 10 Ca 0.26 -1.40 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 1xsj s ILE 10 Cb 0.07 -1.89 -0.15 0.00 0.01 0.00 0.00 42.46 40.49 1xsj s ILE 10 CO 0.13 0.34 0.86 0.00 0.00 0.00 0.00 174.94 176.27 1xsj n GLN 11 N 1.67 0.85 -1.79 2.79 1.13 -0.36 -4.56 117.38 117.10 1xsj n GLN 11 Ca -0.17 0.30 -0.41 0.00 -1.94 0.00 0.00 57.00 54.78 1xsj n GLN 11 Cb 0.52 -1.56 -0.01 0.00 0.11 0.00 0.00 30.24 29.30 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 -1.21 4.12 0.00 -1.09 0.02 -1.26 -2.64 135.00 132.94 1xsj s PRO 12 Ca 0.63 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.21 1xsj s PRO 12 Cb -0.81 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 30.71 1xsj s PRO 12 CO 0.58 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 177.07 1xsj n GLY 13 N 1.55 1.80 3.76 0.52 0.00 -1.26 -4.89 105.19 106.67 1xsj n GLY 13 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 4.32 -0.18 0.99 1.43 -1.08 -0.62 118.68 123.53 1xsj s LEU 14 Ca 0.00 0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1xsj s LEU 14 Cb 0.00 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 1xsj s LEU 14 CO 0.00 0.15 -0.08 0.20 0.23 0.00 0.00 176.35 176.84 1xsj s ASN 15 N 0.03 4.15 -0.07 2.29 0.01 -0.03 -4.89 114.94 116.42 1xsj s ASN 15 Ca 0.21 -0.37 -0.00 0.00 -0.71 0.00 0.00 52.86 51.99 1xsj s ASN 15 Cb -0.14 -1.68 -0.03 0.00 0.41 0.00 0.00 41.25 39.80 1xsj s ASN 15 CO 0.08 0.06 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.93 1xsj s LEU 16 N 1.00 3.35 0.06 0.60 1.43 -1.26 -0.82 118.68 123.03 1xsj s LEU 16 Ca -0.01 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1xsj s LEU 16 Cb -0.15 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1xsj s LEU 16 CO -0.01 0.37 -0.12 0.27 0.23 0.00 0.00 176.35 177.09 1xsj s ILE 17 N -0.85 0.91 0.02 -0.59 -4.36 -0.71 -5.00 121.20 110.63 1xsj s ILE 17 Ca 0.13 -1.17 0.02 0.00 -0.26 0.00 0.00 60.65 59.37 1xsj s ILE 17 Cb -0.11 -0.90 -0.02 0.00 1.25 0.00 0.00 42.46 42.68 1xsj s ILE 17 CO 0.02 -0.24 -0.07 -1.00 0.24 0.00 0.00 174.94 173.89 1xsj s HIS 18 N -1.23 0.63 -0.15 1.37 3.76 -1.26 -1.08 115.29 117.33 1xsj s HIS 18 Ca -0.04 -0.33 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 1xsj s HIS 18 Cb -0.10 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 33.17 1xsj s HIS 18 CO 0.01 -0.05 1.57 -1.25 -0.85 0.00 0.00 174.74 174.18 1xsj s PRO 19 N -0.98 4.02 0.00 8.40 0.04 -1.26 -3.79 135.00 141.44 1xsj s PRO 19 Ca -0.04 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1xsj s PRO 19 Cb -0.07 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1xsj s PRO 19 CO 0.00 -1.01 0.00 1.28 0.04 0.00 0.00 177.00 177.31 1xsj n LEU 20 N 7.60 0.00 -3.68 -3.56 4.77 0.36 -4.54 117.00 117.96 1xsj n LEU 20 Ca 0.17 -0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 55.79 1xsj n LEU 20 Cb 0.44 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1xsj n LEU 20 CO 0.62 0.00 0.13 -1.58 -1.33 0.00 0.00 177.39 175.23 1xsj s GLN 21 N -1.07 0.47 -0.01 3.23 0.74 -0.92 -4.25 119.66 117.86 1xsj s GLN 21 Ca 0.00 0.95 -0.30 0.00 0.05 0.00 0.00 55.36 56.06 1xsj s GLN 21 Cb 0.00 0.10 -0.07 0.00 1.10 0.00 0.00 33.01 34.14 1xsj s GLN 21 CO 0.00 -0.17 1.69 0.08 -0.55 0.00 0.00 175.29 176.34 1xsj s VAL 22 N 1.68 3.36 -0.14 1.34 1.01 -1.26 -1.27 120.40 125.12 1xsj s VAL 22 Ca -0.08 0.57 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 1xsj s VAL 22 Cb -0.08 -3.37 -0.25 0.00 0.00 0.00 0.00 36.38 32.68 1xsj s VAL 22 CO -0.15 -0.04 0.33 0.33 0.00 0.00 0.00 175.10 175.58 1xsj n PHE 23 N 6.69 1.21 -3.63 5.22 7.35 0.40 -4.74 117.46 129.96 1xsj n PHE 23 Ca 0.17 0.29 -0.14 0.00 -0.76 0.00 0.00 57.45 57.01 1xsj n PHE 23 Cb 0.42 -1.15 -0.07 0.00 0.35 0.00 0.00 39.48 39.02 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 -2.53 0.82 -0.08 -4.13 2.12 -1.10 -5.00 118.70 108.80 1xsj s GLU 24 Ca -0.24 0.87 0.03 0.00 0.36 0.00 0.00 54.97 56.00 1xsj s GLU 24 Cb 0.07 0.40 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 1xsj s GLU 24 CO 0.74 -0.12 -0.18 0.08 -0.54 0.00 0.00 175.26 175.24 1xsj s VAL 25 N 0.19 2.67 -0.01 3.70 1.01 -1.26 -0.61 120.40 126.10 1xsj s VAL 25 Ca -0.01 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1xsj s VAL 25 Cb -0.04 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1xsj s VAL 25 CO 0.02 0.56 -0.04 -0.70 0.00 0.00 0.00 175.10 174.95 1xsj s GLU 26 N -0.15 0.34 -0.23 2.72 2.12 -0.37 -5.02 118.70 118.11 1xsj s GLU 26 Ca -0.02 -0.12 -0.10 0.00 0.36 0.00 0.00 54.97 55.09 1xsj s GLU 26 Cb -0.14 -0.35 -0.05 0.00 0.26 0.00 0.00 34.13 33.86 1xsj s GLU 26 CO 0.04 0.05 0.14 -1.14 -0.54 0.00 0.00 175.26 173.81 1xsj s GLN 27 N 0.07 4.06 -0.50 4.30 0.74 -1.26 -0.83 119.66 126.24 1xsj s GLN 27 Ca -0.00 -0.28 0.03 0.00 0.05 0.00 0.00 55.36 55.17 1xsj s GLN 27 Cb -0.03 -3.48 0.13 0.00 1.10 0.00 0.00 33.01 30.73 1xsj s GLN 27 CO -0.00 0.11 0.25 -0.65 -0.55 0.00 0.00 175.29 174.45 1xsj s GLN 28 N 0.89 1.79 5.50 1.67 -0.21 0.25 -4.99 119.66 124.56 1xsj s GLN 28 Ca 0.07 -2.45 0.00 0.00 0.02 0.00 0.00 55.36 53.00 1xsj s GLN 28 Cb -0.13 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.82 1xsj s GLN 28 CO 0.03 -1.12 0.00 -3.47 -2.12 0.00 0.00 175.29 168.61 1xsj n ASP 29 N 3.24 0.00 -1.42 5.90 4.64 -1.26 -1.70 116.55 125.95 1xsj n ASP 29 Ca 0.06 0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.47 1xsj n ASP 29 Cb 0.33 0.00 0.27 0.00 -1.04 0.00 0.00 41.12 40.68 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 10.92 4.00 -4.26 1.67 6.94 -1.26 -4.94 115.26 128.33 1xsj n ASN 30 Ca 0.00 -3.26 -0.24 0.00 -0.02 0.00 0.00 54.58 51.06 1xsj n ASN 30 Cb 0.00 -0.65 -0.13 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 -2.99 1.15 -0.19 -3.83 2.02 -0.69 -4.66 118.70 109.50 1xsj s GLU 31 Ca 0.48 -1.08 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 1xsj s GLU 31 Cb 0.40 -1.35 -0.01 0.00 0.10 0.00 0.00 34.13 33.26 1xsj s GLU 31 CO 0.09 0.32 -0.06 1.41 0.02 0.00 0.00 175.26 177.04 1xsj s MET 32 N -1.71 3.43 -0.16 1.61 -2.45 -0.59 -0.59 119.30 118.85 1xsj s MET 32 Ca 0.06 -0.62 -0.05 0.00 -1.25 0.00 0.00 55.69 53.83 1xsj s MET 32 Cb -0.10 -2.93 -0.03 0.00 1.25 0.00 0.00 34.83 33.02 1xsj s MET 32 CO 0.03 -0.05 0.01 0.08 1.05 0.00 0.00 175.02 176.15 1xsj s VAL 33 N 1.08 4.35 -0.14 10.11 1.01 -0.01 -0.25 120.40 136.55 1xsj s VAL 33 Ca 0.01 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1xsj s VAL 33 Cb -0.15 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.33 1xsj s VAL 33 CO -0.00 0.49 -0.18 -0.69 0.00 0.00 0.00 175.10 174.72 1xsj s VAL 34 N 0.21 1.80 -0.21 2.92 1.01 0.12 -1.23 120.40 125.03 1xsj s VAL 34 Ca 0.01 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1xsj s VAL 34 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1xsj s VAL 34 CO 0.02 0.50 0.41 -0.31 0.00 0.00 0.00 175.10 175.72 1xsj s TYR 35 N 1.08 3.36 -0.13 5.22 2.02 0.22 -0.73 117.35 128.40 1xsj s TYR 35 Ca -0.02 0.62 0.00 0.00 -0.37 0.00 0.00 57.07 57.30 1xsj s TYR 35 Cb -0.14 -2.55 0.02 0.00 -0.40 0.00 0.00 41.96 38.89 1xsj s TYR 35 CO -0.06 -0.04 -0.12 0.00 -1.57 0.00 0.00 175.55 173.76 1xsj s ALA 36 N 1.42 1.63 0.35 3.71 0.00 -0.55 -0.45 121.76 127.86 1xsj s ALA 36 Ca 0.19 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.23 1xsj s ALA 36 Cb -0.15 -0.95 -0.10 0.00 0.00 0.00 0.00 23.12 21.92 1xsj s ALA 36 CO 0.08 -0.33 0.82 0.00 0.00 0.00 0.00 175.76 176.34 1xsj s ALA 37 N 1.45 3.23 -1.55 0.00 0.00 -0.40 -0.84 121.76 123.65 1xsj s ALA 37 Ca 0.02 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1xsj s ALA 37 Cb -0.13 -2.94 0.15 0.00 0.00 0.00 0.00 23.12 20.20 1xsj s ALA 37 CO -0.08 0.25 0.98 -0.35 0.00 0.00 0.00 175.76 176.56 1xsj n PRO 38 N -0.25 1.54 -3.82 0.00 -0.04 -1.25 -0.49 135.00 130.70 1xsj n PRO 38 Ca 0.04 -0.60 -0.05 0.00 -0.04 0.00 0.00 63.50 62.84 1xsj n PRO 38 Cb 0.53 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1xsj n PRO 38 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1xsj s ARG 39 N -1.63 1.61 -0.32 0.54 1.70 -1.26 -4.78 118.95 114.81 1xsj s ARG 39 Ca 0.11 -0.96 -0.28 0.00 -0.47 0.00 0.00 55.73 54.13 1xsj s ARG 39 Cb 0.07 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1xsj s ARG 39 CO 0.06 -0.75 2.01 0.34 -1.08 0.00 0.00 175.30 175.88 1xsj s ASP 40 N -3.07 5.56 -0.24 -2.89 2.15 -1.26 -4.66 116.67 112.26 1xsj s ASP 40 Ca 0.15 1.43 0.11 0.00 0.43 0.00 0.00 52.55 54.67 1xsj s ASP 40 Cb -0.04 -2.52 0.46 0.00 -0.30 0.00 0.00 42.92 40.52 1xsj s ASP 40 CO 0.06 -1.95 1.34 1.33 -0.17 0.00 0.00 175.17 175.78 1xsj n VAL 41 N 7.58 2.35 -0.27 1.11 0.24 -1.26 -4.69 118.33 123.38 1xsj n VAL 41 Ca 0.26 -2.82 0.07 0.00 -2.04 0.00 0.00 64.34 59.81 1xsj n VAL 41 Cb 0.47 -0.28 0.30 0.00 -1.47 0.00 0.00 33.84 32.87 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 0.96 0.85 -6.15 7.34 3.08 -1.95 -3.43 114.38 115.08 1xsj h ARG 42 Ca 0.10 -0.05 -0.59 0.00 0.07 0.00 0.00 59.98 59.52 1xsj h ARG 42 Cb 1.34 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 31.15 1xsj h ARG 42 CO 0.20 0.56 -0.11 -1.21 -1.07 0.00 0.00 179.97 178.34 1xsj s GLU 43 N -5.79 4.06 0.47 0.04 2.02 -1.26 -4.98 118.70 113.25 1xsj s GLU 43 Ca -0.11 0.58 0.12 0.00 0.02 0.00 0.00 54.97 55.58 1xsj s GLU 43 Cb 0.20 -3.20 1.07 0.00 0.10 0.00 0.00 34.13 32.30 1xsj s GLU 43 CO 0.79 0.64 2.09 0.00 0.02 0.00 0.00 175.26 178.81 1xsj h ARG 44 N 4.49 0.22 0.00 1.61 3.08 -1.98 -1.22 114.38 120.59 1xsj h ARG 44 Ca -0.50 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 1xsj h ARG 44 Cb 1.21 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1xsj h ARG 44 CO 0.63 0.17 -0.02 0.00 -1.07 0.00 0.00 179.97 179.68 1xsj h THR 45 N 0.22 0.09 -0.19 2.04 1.03 -1.95 -1.26 112.91 112.91 1xsj h THR 45 Ca 0.06 -0.22 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1xsj h THR 45 Cb 0.02 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 1xsj h THR 45 CO -0.01 0.01 0.00 0.79 -0.01 0.00 0.00 175.52 176.31 1xsj n TRP 46 N -3.19 0.22 -1.28 0.00 7.02 -0.47 -4.60 117.44 115.14 1xsj n TRP 46 Ca -0.02 -0.11 -0.22 0.00 -1.02 0.00 0.00 57.50 56.13 1xsj n TRP 46 Cb 0.16 -0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.00 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 1.39 2.20 -3.72 -0.99 6.02 -0.48 -4.80 117.38 117.01 1xsj n GLN 47 Ca 0.16 -1.98 -0.03 0.00 -0.01 0.00 0.00 57.00 55.14 1xsj n GLN 47 Cb 0.59 -1.99 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.81 -0.18 -1.54 1.08 0.05 -1.26 -4.99 118.68 110.02 1xsj s LEU 48 Ca 0.53 -0.34 -0.10 0.00 0.05 0.00 0.00 54.13 54.27 1xsj s LEU 48 Cb 0.34 2.06 0.08 0.00 -2.05 0.00 0.00 46.19 46.62 1xsj s LEU 48 CO -0.14 -0.81 0.67 0.47 -0.55 0.00 0.00 176.35 175.99 1xsj n ASP 49 N -0.45 -2.29 -3.85 1.48 8.00 -1.26 -4.98 116.55 113.20 1xsj n ASP 49 Ca -0.06 -0.96 -0.12 0.00 0.71 0.00 0.00 54.79 54.36 1xsj n ASP 49 Cb 0.61 -3.12 -0.10 0.00 -0.02 0.00 0.00 41.12 38.48 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 -3.57 0.06 1.05 -3.53 -1.32 -1.26 -5.16 115.64 101.90 1xsj s THR 50 Ca 0.41 -0.51 -0.12 0.00 -1.21 0.00 0.00 61.69 60.26 1xsj s THR 50 Cb -0.22 -0.41 0.22 0.00 -1.51 0.00 0.00 72.50 70.58 1xsj s THR 50 CO 0.89 -0.28 1.07 -2.84 -2.21 0.00 0.00 174.62 171.25 1xsj s PRO 51 N -1.02 0.04 -0.16 7.08 0.02 -1.26 -5.08 135.00 134.61 1xsj s PRO 51 Ca -0.11 0.80 -0.08 0.00 0.02 0.00 0.00 61.00 61.63 1xsj s PRO 51 Cb -0.06 -1.67 0.06 0.00 0.02 0.00 0.00 34.50 32.85 1xsj s PRO 51 CO 0.01 -3.07 0.38 -1.17 -0.33 0.00 0.00 177.00 172.82 1xsj s LEU 52 N -6.76 -0.00 0.31 -5.54 0.20 -1.26 -4.30 118.68 101.33 1xsj s LEU 52 Ca 0.66 0.82 -0.13 0.00 0.69 0.00 0.00 54.13 56.18 1xsj s LEU 52 Cb -0.22 1.23 -0.08 0.00 -0.43 0.00 0.00 46.19 46.69 1xsj s LEU 52 CO 0.60 -0.19 0.70 -0.36 -0.29 0.00 0.00 176.35 176.81 1xsj s PHE 53 N 1.39 3.40 -0.21 5.38 0.40 -0.02 -4.80 117.98 123.51 1xsj s PHE 53 Ca -0.09 1.11 0.01 0.00 -0.60 0.00 0.00 56.93 57.35 1xsj s PHE 53 Cb -0.09 -2.45 0.05 0.00 0.51 0.00 0.00 43.02 41.04 1xsj s PHE 53 CO -0.12 0.10 -0.08 0.99 0.70 0.00 0.00 175.22 176.81 1xsj s THR 54 N -2.01 1.60 -0.21 0.64 2.01 -0.74 -1.48 115.64 115.45 1xsj s THR 54 Ca 0.52 -1.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 1xsj s THR 54 Cb -0.10 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1xsj s THR 54 CO 0.21 0.05 0.04 -0.76 -0.69 0.00 0.00 174.62 173.46 1xsj s LEU 55 N 1.39 3.46 -0.15 4.42 1.02 0.09 -1.19 118.68 127.72 1xsj s LEU 55 Ca -0.03 -0.13 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 1xsj s LEU 55 Cb -0.17 -1.89 -0.01 0.00 0.02 0.00 0.00 46.19 44.13 1xsj s LEU 55 CO -0.07 0.06 -0.11 -0.60 0.02 0.00 0.00 176.35 175.65 1xsj s ARG 56 N 1.03 3.40 -0.14 1.70 3.52 0.00 0.11 118.95 128.58 1xsj s ARG 56 Ca 0.03 -0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 1xsj s ARG 56 Cb -0.14 -2.72 -0.03 0.00 -1.56 0.00 0.00 34.95 30.50 1xsj s ARG 56 CO 0.02 0.14 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.57 1xsj s PHE 57 N 0.57 3.08 0.21 5.12 0.08 0.65 -1.02 117.98 126.67 1xsj s PHE 57 Ca -0.07 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 1xsj s PHE 57 Cb -0.15 -1.93 -0.00 0.00 -0.57 0.00 0.00 43.02 40.37 1xsj s PHE 57 CO 0.03 0.12 0.42 -0.59 -0.10 0.00 0.00 175.22 175.10 1xsj s PHE 58 N 0.04 0.33 -0.21 0.36 -0.71 -0.80 -1.54 117.98 115.44 1xsj s PHE 58 Ca 0.01 -0.69 -0.01 0.00 -1.04 0.00 0.00 56.93 55.21 1xsj s PHE 58 Cb -0.13 0.12 0.06 0.00 -1.21 0.00 0.00 43.02 41.86 1xsj s PHE 58 CO 0.02 -0.89 -0.01 0.45 -1.34 0.00 0.00 175.22 173.46 1xsj s SER 59 N -2.99 3.37 0.45 1.98 0.15 -1.26 0.36 113.70 115.77 1xsj s SER 59 Ca 0.20 -1.00 0.25 0.00 0.70 0.00 0.00 55.95 56.10 1xsj s SER 59 Cb 0.01 -0.87 0.60 0.00 -1.71 0.00 0.00 66.02 64.04 1xsj s SER 59 CO 0.05 -0.27 1.70 1.55 1.20 0.00 0.00 173.24 177.46 1xsj h PRO 60 N 8.10 0.00 -2.75 5.44 0.13 -1.81 -3.42 132.00 137.69 1xsj h PRO 60 Ca -0.17 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.90 1xsj h PRO 60 Cb 1.10 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.06 1xsj h PRO 60 CO 0.37 0.05 0.03 -0.65 -0.23 0.00 0.00 178.00 177.57 1xsj s GLN 61 N -3.32 1.02 0.17 0.86 -1.52 -1.26 -0.33 119.66 115.28 1xsj s GLN 61 Ca 0.05 -0.22 -0.33 0.00 -1.95 0.00 0.00 55.36 52.91 1xsj s GLN 61 Cb 0.06 0.47 -0.14 0.00 -0.22 0.00 0.00 33.01 33.18 1xsj s GLN 61 CO 0.64 -0.36 1.53 -1.91 -0.25 0.00 0.00 175.29 174.94 1xsj n GLU 62 N 0.46 2.07 -1.14 2.91 0.00 -1.26 -0.95 120.64 122.73 1xsj n GLU 62 Ca -0.18 0.74 -0.05 0.00 0.00 0.00 0.00 57.16 57.67 1xsj n GLU 62 Cb 0.60 -2.48 -0.02 0.00 0.00 0.00 0.00 31.44 29.54 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 3.11 0.70 3.19 8.31 0.00 -1.17 -4.94 105.19 114.38 1xsj n GLY 63 Ca 0.16 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.96 2.25 -0.26 -0.61 1.01 -0.13 -1.16 121.20 120.33 1xsj s ILE 64 Ca 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 1xsj s ILE 64 Cb 0.00 -1.92 -0.00 0.00 0.01 0.00 0.00 42.46 40.55 1xsj s ILE 64 CO 0.00 0.54 0.04 -0.69 0.00 0.00 0.00 174.94 174.82 1xsj s VAL 65 N 0.91 3.79 0.15 2.92 1.01 -0.39 -4.09 120.40 124.70 1xsj s VAL 65 Ca -0.04 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 1xsj s VAL 65 Cb -0.15 -2.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.29 1xsj s VAL 65 CO -0.03 0.22 0.71 -0.83 0.00 0.00 0.00 175.10 175.17 1xsj s GLY 66 N 1.50 2.80 -0.10 4.51 0.00 0.16 -1.04 107.32 115.15 1xsj s GLY 66 Ca 0.04 0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.99 1xsj s GLY 66 CO 0.01 0.69 -0.05 0.14 0.00 0.00 0.00 173.10 173.89 1xsj s VAL 67 N -1.20 0.79 -0.23 1.40 1.01 0.55 -1.91 120.40 120.81 1xsj s VAL 67 Ca 0.35 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1xsj s VAL 67 Cb -0.21 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.35 1xsj s VAL 67 CO 0.23 0.33 -0.13 -0.60 0.00 0.00 0.00 175.10 174.93 1xsj s ARG 68 N 1.80 2.55 -0.23 2.72 3.52 -0.19 -0.80 118.95 128.32 1xsj s ARG 68 Ca 0.05 -1.14 -0.07 0.00 -0.13 0.00 0.00 55.73 54.44 1xsj s ARG 68 Cb -0.12 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1xsj s ARG 68 CO -0.07 -0.44 0.05 0.42 -0.81 0.00 0.00 175.30 174.46 1xsj s ILE 69 N 1.19 4.29 0.00 4.11 1.01 0.43 -0.82 121.20 131.42 1xsj s ILE 69 Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1xsj s ILE 69 Cb -0.17 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 1xsj s ILE 69 CO -0.08 0.37 -0.07 -1.83 0.00 0.00 0.00 174.94 173.34 1xsj s GLU 70 N 1.33 0.52 0.00 2.79 -1.05 -0.34 -0.28 118.70 121.68 1xsj s GLU 70 Ca 0.05 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 1xsj s GLU 70 Cb -0.15 -0.47 0.00 0.00 -0.44 0.00 0.00 34.13 33.07 1xsj s GLU 70 CO 0.03 0.12 0.00 1.58 0.95 0.00 0.00 175.26 177.94 1xsj n HIS 71 N 2.68 0.00 -2.97 4.83 -0.00 -0.41 -1.78 115.22 117.57 1xsj n HIS 71 Ca -0.15 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.18 1xsj n HIS 71 Cb 0.57 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.51 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 0.95 3.82 -1.78 1.57 0.08 -1.25 -4.83 117.98 116.54 1xsj s PHE 72 Ca 0.00 1.56 0.24 0.00 0.12 0.00 0.00 56.93 58.85 1xsj s PHE 72 Cb 0.00 -2.80 0.21 0.00 -0.57 0.00 0.00 43.02 39.85 1xsj s PHE 72 CO 0.00 0.39 1.22 1.04 -0.10 0.00 0.00 175.22 177.77 1xsj n GLN 73 N 2.22 0.90 0.00 0.44 6.02 -1.26 -4.36 117.38 121.34 1xsj n GLN 73 Ca -0.04 -0.69 0.14 0.00 -0.01 0.00 0.00 57.00 56.40 1xsj n GLN 73 Cb 0.49 -1.49 0.68 0.00 1.02 0.00 0.00 30.24 30.95 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 1.41 -1.26 3.74 1.08 0.00 -1.26 -4.88 105.19 104.02 1xsj n GLY 74 Ca 0.09 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1xsj n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsj s ALA 75 N -2.66 1.93 0.07 4.61 0.00 -1.26 -5.00 121.76 119.46 1xsj s ALA 75 Ca 0.24 0.28 -0.37 0.00 0.00 0.00 0.00 51.96 52.11 1xsj s ALA 75 Cb 0.19 -3.30 -0.19 0.00 0.00 0.00 0.00 23.12 19.82 1xsj s ALA 75 CO 0.44 -2.10 1.56 -0.07 0.00 0.00 0.00 175.76 175.59 1xsj h LEU 76 N -1.38 -1.29 -2.61 0.00 3.38 -1.98 -3.49 115.31 107.94 1xsj h LEU 76 Ca -0.45 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 1xsj h LEU 76 Cb 1.25 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1xsj h LEU 76 CO 0.50 -0.74 -0.50 -3.20 0.09 0.00 0.00 178.44 174.58 1xsj n ASN 77 N -5.60 -7.32 -4.94 -0.43 2.85 -1.26 -5.04 115.26 93.52 1xsj n ASN 77 Ca -0.14 0.14 -0.25 0.00 -0.11 0.00 0.00 54.58 54.22 1xsj n ASN 77 Cb 0.50 -4.55 -0.02 0.00 1.24 0.00 0.00 39.78 36.95 1xsj n ASN 77 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1xsj s ASN 78 N -2.60 6.32 1.04 1.20 0.01 -1.26 -5.11 114.94 114.54 1xsj s ASN 78 Ca 0.18 0.47 -0.06 0.00 -0.71 0.00 0.00 52.86 52.74 1xsj s ASN 78 Cb -0.04 -2.04 0.08 0.00 0.41 0.00 0.00 41.25 39.66 1xsj s ASN 78 CO 0.79 -0.26 0.35 0.61 -1.51 0.00 0.00 177.10 177.08 1xsj n GLY 79 N -1.60 -1.95 3.86 0.66 0.00 -1.26 -4.62 105.19 100.28 1xsj n GLY 79 Ca -0.04 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.79 2.71 0.26 1.61 0.04 -1.26 -0.71 135.00 133.87 1xsj s PRO 80 Ca 0.21 0.53 0.11 0.00 0.04 0.00 0.00 61.00 61.90 1xsj s PRO 80 Cb -0.01 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1xsj s PRO 80 CO 0.16 -1.15 -0.16 -1.01 0.04 0.00 0.00 177.00 174.87 1xsj s HIS 81 N -3.29 2.39 0.69 0.56 3.76 -1.26 -4.85 115.29 113.28 1xsj s HIS 81 Ca 0.59 -0.31 -0.17 0.00 -0.15 0.00 0.00 55.06 55.02 1xsj s HIS 81 Cb -0.12 -1.06 0.01 0.00 1.11 0.00 0.00 32.58 32.53 1xsj s HIS 81 CO 0.53 0.67 1.27 0.71 -0.85 0.00 0.00 174.74 177.06 1xsj s TYR 82 N -2.36 2.02 -1.60 1.40 2.02 -1.26 -4.88 117.35 112.70 1xsj s TYR 82 Ca 0.29 1.53 -0.10 0.00 -0.37 0.00 0.00 57.07 58.43 1xsj s TYR 82 Cb -0.06 -3.63 -0.07 0.00 -0.40 0.00 0.00 41.96 37.80 1xsj s TYR 82 CO 0.15 -2.88 2.89 -0.35 -1.57 0.00 0.00 175.55 173.80 1xsj n PRO 83 N -2.25 3.74 -2.69 -1.71 -0.04 -1.26 -4.95 135.00 125.84 1xsj n PRO 83 Ca 0.15 -2.32 -0.40 0.00 -0.04 0.00 0.00 63.50 60.89 1xsj n PRO 83 Cb 0.49 -2.81 -0.05 0.00 -0.04 0.00 0.00 33.50 31.08 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 0.09 4.61 -0.55 1.53 1.02 -1.26 -4.74 118.68 119.38 1xsj s LEU 84 Ca 0.68 2.00 -0.20 0.00 0.02 0.00 0.00 54.13 56.62 1xsj s LEU 84 Cb 0.18 -3.61 0.07 0.00 0.02 0.00 0.00 46.19 42.84 1xsj s LEU 84 CO -0.06 0.06 0.73 0.20 0.02 0.00 0.00 176.35 177.30 1xsj s ASN 85 N -0.93 6.23 -0.23 2.29 0.01 0.91 -5.01 114.94 118.20 1xsj s ASN 85 Ca 0.43 -0.93 -0.04 0.00 -0.71 0.00 0.00 52.86 51.61 1xsj s ASN 85 Cb -0.27 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1xsj s ASN 85 CO 0.34 -1.05 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.22 1xsj s ILE 86 N 3.02 3.49 0.21 0.60 1.01 -1.26 -4.76 121.20 123.51 1xsj s ILE 86 Ca 0.18 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 1xsj s ILE 86 Cb -0.19 -2.60 -0.08 0.00 0.01 0.00 0.00 42.46 39.60 1xsj s ILE 86 CO 0.12 0.40 0.61 -0.76 0.00 0.00 0.00 174.94 175.31 1xsj s LEU 87 N 1.49 4.26 0.08 2.97 1.43 0.55 -5.02 118.68 124.45 1xsj s LEU 87 Ca 0.06 1.14 0.23 0.00 -1.03 0.00 0.00 54.13 54.53 1xsj s LEU 87 Cb -0.14 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.58 1xsj s LEU 87 CO -0.02 0.00 1.03 0.00 0.23 0.00 0.00 176.35 177.59 1xsj n GLN 88 N 0.40 0.38 -1.01 1.70 1.13 -1.26 -4.59 117.38 114.13 1xsj n GLN 88 Ca -0.02 0.02 0.02 0.00 -1.94 0.00 0.00 57.00 55.08 1xsj n GLN 88 Cb 0.52 -1.65 0.15 0.00 0.11 0.00 0.00 30.24 29.37 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 -2.15 1.91 -4.77 1.08 5.68 -1.26 -5.00 116.55 112.04 1xsj n ASP 89 Ca 0.01 -3.45 -0.41 0.00 -0.50 0.00 0.00 54.79 50.45 1xsj n ASP 89 Cb 0.47 -0.46 -0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1xsj n ASP 89 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1xsj s VAL 90 N -2.76 2.21 -0.25 2.12 1.01 -1.26 -4.92 120.40 116.56 1xsj s VAL 90 Ca 0.38 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 1xsj s VAL 90 Cb 0.38 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1xsj s VAL 90 CO -0.08 0.04 1.44 -0.75 0.00 0.00 0.00 175.10 175.76 1xsj s LYS 91 N -2.14 3.91 0.13 2.72 2.20 -1.26 -5.01 119.74 120.29 1xsj s LYS 91 Ca 0.54 1.49 0.04 0.00 -0.36 0.00 0.00 55.97 57.68 1xsj s LYS 91 Cb -0.44 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 31.90 1xsj s LYS 91 CO 0.59 -1.14 -0.10 0.14 -0.36 0.00 0.00 175.35 174.47 1xsj s VAL 92 N 4.61 1.09 -0.06 4.02 -7.23 -1.26 -4.27 120.40 117.31 1xsj s VAL 92 Ca 0.63 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 1xsj s VAL 92 Cb -0.21 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 1xsj s VAL 92 CO 0.25 -0.68 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.23 1xsj s THR 93 N -3.04 2.21 -0.15 5.32 2.01 -0.08 -4.97 115.64 116.94 1xsj s THR 93 Ca 0.13 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1xsj s THR 93 Cb 0.01 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.72 1xsj s THR 93 CO 0.00 0.57 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.67 1xsj s ILE 94 N -0.15 1.99 -0.13 1.82 1.01 -1.26 -0.34 121.20 124.14 1xsj s ILE 94 Ca -0.03 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1xsj s ILE 94 Cb -0.14 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1xsj s ILE 94 CO 0.04 0.53 -0.17 -1.61 0.00 0.00 0.00 174.94 173.73 1xsj s GLU 95 N 1.05 3.24 -0.42 2.79 2.02 0.12 -4.98 118.70 122.52 1xsj s GLU 95 Ca -0.02 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.23 1xsj s GLU 95 Cb -0.14 -2.53 0.12 0.00 0.10 0.00 0.00 34.13 31.68 1xsj s GLU 95 CO -0.07 0.15 0.19 1.21 0.02 0.00 0.00 175.26 176.76 1xsj s ASN 96 N 0.47 4.04 0.52 -0.19 2.47 -1.26 0.01 114.94 120.98 1xsj s ASN 96 Ca -0.12 -2.46 0.06 0.00 0.42 0.00 0.00 52.86 50.76 1xsj s ASN 96 Cb -0.16 -1.23 0.03 0.00 -1.45 0.00 0.00 41.25 38.43 1xsj s ASN 96 CO 0.05 -0.30 0.40 0.42 -3.72 0.00 0.00 177.10 173.95 1xsj s THR 97 N 0.52 1.87 0.26 -5.21 -4.23 0.59 -5.01 115.64 104.43 1xsj s THR 97 Ca 0.15 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.18 1xsj s THR 97 Cb -0.23 -2.33 0.24 0.00 1.34 0.00 0.00 72.50 71.52 1xsj s THR 97 CO -0.05 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 175.73 1xsj h GLU 98 N 0.82 0.70 0.00 3.99 4.57 -2.03 -3.16 114.58 119.47 1xsj h GLU 98 Ca -0.38 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.69 1xsj h GLU 98 Cb 1.29 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1xsj h GLU 98 CO 0.57 0.46 -1.49 0.54 -1.18 0.00 0.00 179.01 177.91 1xsj n ARG 99 N -4.80 0.63 -3.62 1.92 1.74 -1.26 -4.76 116.66 106.51 1xsj n ARG 99 Ca 0.16 0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 57.16 1xsj n ARG 99 Cb 0.39 -1.72 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 1xsj n ARG 99 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1xsj s TYR 100 N -3.22 -0.37 -0.11 -1.55 4.12 -1.19 -0.66 117.35 114.38 1xsj s TYR 100 Ca -0.04 0.42 0.04 0.00 0.02 0.00 0.00 57.07 57.51 1xsj s TYR 100 Cb 0.10 0.28 0.00 0.00 -1.52 0.00 0.00 41.96 40.83 1xsj s TYR 100 CO 0.83 -0.59 -0.23 0.00 0.02 0.00 0.00 175.55 175.57 1xsj s ALA 101 N -2.26 2.20 -0.04 3.71 0.00 -0.44 -0.30 121.76 124.63 1xsj s ALA 101 Ca -0.06 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1xsj s ALA 101 Cb -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1xsj s ALA 101 CO -0.00 0.25 -0.05 -2.00 0.00 0.00 0.00 175.76 173.96 1xsj s GLU 102 N 0.39 0.80 -0.13 0.00 2.12 0.10 -0.37 118.70 121.62 1xsj s GLU 102 Ca -0.17 -0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.04 1xsj s GLU 102 Cb -0.18 -0.80 0.01 0.00 0.26 0.00 0.00 34.13 33.43 1xsj s GLU 102 CO 0.08 -0.03 -0.20 0.12 -0.54 0.00 0.00 175.26 174.68 1xsj s PHE 103 N 0.70 2.49 -0.03 5.30 5.36 -0.32 0.13 117.98 131.62 1xsj s PHE 103 Ca -0.10 -1.23 0.03 0.00 -0.96 0.00 0.00 56.93 54.67 1xsj s PHE 103 Cb -0.13 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 1xsj s PHE 103 CO 0.00 -0.57 -0.11 0.21 -1.46 0.00 0.00 175.22 173.29 1xsj s LYS 104 N 0.84 1.19 -0.14 10.12 2.20 0.54 -0.80 119.74 133.68 1xsj s LYS 104 Ca -0.07 -0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 1xsj s LYS 104 Cb -0.15 -1.08 0.04 0.00 -1.51 0.00 0.00 37.83 35.12 1xsj s LYS 104 CO -0.01 0.15 -0.04 0.45 -0.36 0.00 0.00 175.35 175.54 1xsj s SER 105 N 0.14 2.50 1.69 1.43 0.15 0.49 -0.90 113.70 119.19 1xsj s SER 105 Ca -0.03 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1xsj s SER 105 Cb -0.09 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 1xsj s SER 105 CO 0.01 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1xsj n GLY 106 N 4.96 3.43 0.27 9.45 0.00 -1.26 -2.01 105.19 120.02 1xsj n GLY 106 Ca -0.11 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 4.13 0.92 -4.59 1.61 5.03 -1.26 -4.88 115.26 116.22 1xsj n ASN 107 Ca 0.00 -1.05 -0.35 0.00 0.87 0.00 0.00 54.58 54.05 1xsj n ASN 107 Cb 0.00 0.01 -0.10 0.00 -1.02 0.00 0.00 39.78 38.67 1xsj n ASN 107 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsj s LEU 108 N -2.24 3.72 0.15 3.41 2.96 -0.85 -1.63 118.68 124.20 1xsj s LEU 108 Ca 0.34 0.01 0.07 0.00 -0.22 0.00 0.00 54.13 54.33 1xsj s LEU 108 Cb 0.20 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1xsj s LEU 108 CO 0.42 0.13 -0.15 -0.94 -1.32 0.00 0.00 176.35 174.48 1xsj s SER 109 N 0.66 2.28 -0.18 3.68 1.04 0.30 -0.38 113.70 121.10 1xsj s SER 109 Ca 0.03 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.56 1xsj s SER 109 Cb -0.13 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 1xsj s SER 109 CO 0.02 -0.13 -0.08 0.00 0.98 0.00 0.00 173.24 174.03 1xsj s ALA 110 N -2.33 2.76 -0.10 5.32 0.00 0.02 -0.01 121.76 127.42 1xsj s ALA 110 Ca 0.14 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1xsj s ALA 110 Cb -0.04 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 1xsj s ALA 110 CO 0.05 -0.13 -0.22 0.50 0.00 0.00 0.00 175.76 175.96 1xsj s ARG 111 N 0.97 3.01 -0.19 0.00 3.52 0.49 -1.17 118.95 125.57 1xsj s ARG 111 Ca -0.01 -0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 54.72 1xsj s ARG 111 Cb -0.15 -2.34 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1xsj s ARG 111 CO -0.00 0.24 -0.06 0.08 -0.81 0.00 0.00 175.30 174.75 1xsj s VAL 112 N 0.22 3.43 0.13 7.11 1.01 0.50 -0.54 120.40 132.25 1xsj s VAL 112 Ca -0.14 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1xsj s VAL 112 Cb -0.17 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1xsj s VAL 112 CO 0.07 0.45 1.07 -0.44 0.00 0.00 0.00 175.10 176.25 1xsj s SER 113 N 1.08 7.30 0.65 3.32 0.01 -0.37 -1.33 113.70 124.35 1xsj s SER 113 Ca 0.01 1.97 -0.04 0.00 1.31 0.00 0.00 55.95 59.19 1xsj s SER 113 Cb -0.15 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.54 1xsj s SER 113 CO -0.00 -0.22 0.93 -0.54 0.41 0.00 0.00 173.24 173.82 1xsj s LYS 114 N 0.07 2.36 2.85 12.44 1.02 0.17 -4.22 119.74 134.42 1xsj s LYS 114 Ca 0.50 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.10 1xsj s LYS 114 Cb -0.27 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1xsj s LYS 114 CO 0.32 -1.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.12 1xsj n GLY 115 N -2.72 -0.58 0.26 -3.33 0.00 -1.26 -4.28 105.19 93.27 1xsj n GLY 115 Ca 0.08 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.96 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 0.42 -3.62 1.61 4.81 -1.93 -3.38 114.58 112.49 1xsj h GLU 116 Ca 0.00 -0.09 -0.71 0.00 -0.13 0.00 0.00 59.36 58.43 1xsj h GLU 116 Cb 0.00 -0.06 -0.34 0.00 0.63 0.00 0.00 28.75 28.98 1xsj h GLU 116 CO 0.00 0.48 -0.29 -0.06 -0.73 0.00 0.00 179.01 178.42 1xsj s PHE 117 N -4.89 3.46 0.26 0.92 0.08 -1.26 -5.02 117.98 111.54 1xsj s PHE 117 Ca -0.07 -2.60 -0.30 0.00 0.12 0.00 0.00 56.93 54.08 1xsj s PHE 117 Cb 0.15 -3.30 -0.10 0.00 -0.57 0.00 0.00 43.02 39.21 1xsj s PHE 117 CO 0.75 -0.86 1.37 -0.46 -0.10 0.00 0.00 175.22 175.92 1xsj s TRP 118 N -0.05 3.08 -0.11 0.36 -0.11 -1.26 -4.63 118.94 116.22 1xsj s TRP 118 Ca 0.17 1.18 -0.15 0.00 1.22 0.00 0.00 56.10 58.52 1xsj s TRP 118 Cb -0.19 -3.73 0.04 0.00 -1.50 0.00 0.00 33.47 28.09 1xsj s TRP 118 CO -0.04 -2.27 0.39 0.45 -4.62 0.00 0.00 176.95 170.86 1xsj s SER 119 N 0.12 -0.37 -0.28 5.86 0.15 -1.26 -4.06 113.70 113.85 1xsj s SER 119 Ca 0.56 0.61 0.01 0.00 0.70 0.00 0.00 55.95 57.83 1xsj s SER 119 Cb -0.40 0.67 0.06 0.00 -1.71 0.00 0.00 66.02 64.64 1xsj s SER 119 CO 0.45 -0.25 -0.06 -0.22 1.20 0.00 0.00 173.24 174.37 1xsj s LEU 120 N -0.27 3.69 -0.11 3.45 0.20 -0.67 -1.24 118.68 123.72 1xsj s LEU 120 Ca -0.04 -1.37 0.01 0.00 0.69 0.00 0.00 54.13 53.41 1xsj s LEU 120 Cb -0.03 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 1xsj s LEU 120 CO 0.02 -0.23 -0.14 -1.81 -0.29 0.00 0.00 176.35 173.91 1xsj s ASP 121 N 1.17 3.99 -0.17 3.68 1.01 0.30 -0.11 116.67 126.54 1xsj s ASP 121 Ca -0.07 -0.31 -0.12 0.00 0.71 0.00 0.00 52.55 52.76 1xsj s ASP 121 Cb -0.20 -1.47 -0.05 0.00 1.01 0.00 0.00 42.92 42.21 1xsj s ASP 121 CO -0.03 0.20 0.22 -0.36 0.21 0.00 0.00 175.17 175.41 1xsj s PHE 122 N 0.15 3.45 -0.03 4.23 0.08 -0.64 -0.38 117.98 124.84 1xsj s PHE 122 Ca -0.07 0.49 0.04 0.00 0.12 0.00 0.00 56.93 57.51 1xsj s PHE 122 Cb -0.15 -2.25 -0.00 0.00 -0.57 0.00 0.00 43.02 40.04 1xsj s PHE 122 CO 0.05 0.28 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.80 1xsj s LEU 123 N 0.34 1.90 -0.23 -0.37 1.02 0.98 -1.05 118.68 121.28 1xsj s LEU 123 Ca 0.13 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 53.98 1xsj s LEU 123 Cb -0.12 -0.82 0.02 0.00 0.02 0.00 0.00 46.19 45.29 1xsj s LEU 123 CO 0.02 0.13 -0.10 -0.60 0.02 0.00 0.00 176.35 175.82 1xsj s ARG 124 N 0.01 2.90 -1.57 1.70 3.52 0.94 -0.54 118.95 125.91 1xsj s ARG 124 Ca -0.02 -0.92 -0.08 0.00 -0.13 0.00 0.00 55.73 54.58 1xsj s ARG 124 Cb -0.10 -2.86 0.07 0.00 -1.56 0.00 0.00 34.95 30.51 1xsj s ARG 124 CO 0.01 -0.33 0.49 0.09 -0.81 0.00 0.00 175.30 174.75 1xsj n ASN 125 N 4.65 -1.27 0.00 -2.12 5.03 -0.64 -0.81 115.26 120.10 1xsj n ASN 125 Ca -0.18 -1.07 0.00 0.00 0.87 0.00 0.00 54.58 54.20 1xsj n ASN 125 Cb 0.48 -2.60 0.00 0.00 -1.02 0.00 0.00 39.78 36.64 1xsj n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xsj n GLY 126 N -1.82 1.00 3.76 7.41 0.00 -1.26 -5.02 105.19 109.27 1xsj n GLY 126 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1xsj n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xsj s GLU 127 N -0.13 3.83 -0.18 1.61 2.02 0.01 -5.02 118.70 120.84 1xsj s GLU 127 Ca 0.00 -0.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.48 1xsj s GLU 127 Cb 0.00 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 1xsj s GLU 127 CO 0.00 0.48 1.61 0.50 0.02 0.00 0.00 175.26 177.88 1xsj s ARG 128 N -0.19 3.90 -0.05 1.61 3.52 -1.26 -0.04 118.95 126.43 1xsj s ARG 128 Ca 0.10 1.79 0.19 0.00 -0.13 0.00 0.00 55.73 57.68 1xsj s ARG 128 Cb -0.12 -4.01 -0.24 0.00 -1.56 0.00 0.00 34.95 29.02 1xsj s ARG 128 CO 0.01 -1.17 0.46 0.44 -0.81 0.00 0.00 175.30 174.22 1xsj n ILE 129 N 6.16 0.78 -3.60 4.11 -5.35 -0.21 -4.94 119.36 116.31 1xsj n ILE 129 Ca 0.18 -0.67 -0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1xsj n ILE 129 Cb 0.45 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 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 -2.60 0.00 0.00 7.28 5.66 -1.21 -4.88 114.28 118.53 1xsj n THR 130 Ca -0.15 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1xsj n THR 130 Cb 0.83 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.61 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 -0.00 -0.56 3.28 1.09 0.00 -1.26 -1.62 105.19 106.11 1xsj n GLY 131 Ca 0.00 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 1xsj n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsj s SER 132 N 0.00 3.99 0.59 1.61 0.15 0.85 -0.83 113.70 120.06 1xsj s SER 132 Ca 0.00 -0.43 -0.10 0.00 0.70 0.00 0.00 55.95 56.12 1xsj s SER 132 Cb 0.00 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.62 1xsj s SER 132 CO 0.00 0.03 0.98 -1.10 1.20 0.00 0.00 173.24 174.35 1xsj s GLN 133 N 1.18 3.55 0.21 5.44 -0.21 -1.26 -1.67 119.66 126.89 1xsj s GLN 133 Ca 0.02 0.62 -0.32 0.00 0.02 0.00 0.00 55.36 55.70 1xsj s GLN 133 Cb -0.14 -2.14 -0.15 0.00 1.00 0.00 0.00 33.01 31.57 1xsj s GLN 133 CO -0.03 -0.51 1.17 1.55 -2.12 0.00 0.00 175.29 175.35 1xsj n VAL 134 N -2.65 1.12 -0.87 1.09 3.14 -1.26 -1.04 118.33 117.86 1xsj n VAL 134 Ca 0.05 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1xsj n VAL 134 Cb 0.54 -0.98 0.00 0.00 -1.06 0.00 0.00 33.84 32.35 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 1.60 -0.48 -0.36 1.45 5.02 -1.26 -4.88 118.16 119.26 1xsj n LYS 135 Ca 0.13 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.66 1xsj n LYS 135 Cb 0.27 -3.72 0.31 0.00 -0.02 0.00 0.00 35.03 31.87 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 -0.24 3.77 -4.26 4.39 3.02 -0.20 -4.89 115.26 116.85 1xsj n ASN 136 Ca 0.00 -2.00 -0.14 0.00 -0.03 0.00 0.00 54.58 52.41 1xsj n ASN 136 Cb 0.12 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.00 0.75 0.00 6.41 2.20 -1.26 -0.51 114.94 121.53 1xsj s ASN 137 Ca 0.47 -1.37 0.00 0.00 -0.94 0.00 0.00 52.86 51.02 1xsj s ASN 137 Cb 0.25 0.25 0.00 0.00 -2.00 0.00 0.00 41.25 39.74 1xsj s ASN 137 CO 0.32 -0.76 0.00 0.61 -2.94 0.00 0.00 177.10 174.33 1xsj n GLY 138 N -0.36 0.68 3.36 0.45 0.00 -0.47 -4.39 105.19 104.45 1xsj n GLY 138 Ca 0.00 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 1xsj n GLY 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xsj s TYR 139 N -3.66 2.53 -0.23 1.61 5.04 -0.24 -0.47 117.35 121.92 1xsj s TYR 139 Ca 0.00 -0.43 -0.01 0.00 -2.44 0.00 0.00 57.07 54.18 1xsj s TYR 139 Cb 0.00 -1.60 0.02 0.00 0.35 0.00 0.00 41.96 40.73 1xsj s TYR 139 CO 0.00 -0.02 -0.09 0.08 -1.34 0.00 0.00 175.55 174.18 1xsj s VAL 140 N -0.45 2.80 -0.44 3.14 1.01 0.60 -1.73 120.40 125.32 1xsj s VAL 140 Ca 0.05 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 1xsj s VAL 140 Cb -0.12 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.94 1xsj s VAL 140 CO 0.01 0.30 0.50 -1.58 0.00 0.00 0.00 175.10 174.33 1xsj s GLN 141 N 1.34 3.12 -0.55 2.72 0.74 -0.00 -0.79 119.66 126.24 1xsj s GLN 141 Ca 0.02 -0.76 -0.18 0.00 0.05 0.00 0.00 55.36 54.49 1xsj s GLN 141 Cb -0.16 -4.00 0.09 0.00 1.10 0.00 0.00 33.01 30.05 1xsj s GLN 141 CO -0.06 -0.95 0.64 0.34 -0.55 0.00 0.00 175.29 174.71 1xsj s ASP 142 N 2.02 6.19 0.09 6.67 -1.08 -0.26 -0.85 116.67 129.46 1xsj s ASP 142 Ca 0.14 -1.26 0.26 0.00 -0.52 0.00 0.00 52.55 51.17 1xsj s ASP 142 Cb -0.17 -2.28 1.00 0.00 -1.46 0.00 0.00 42.92 40.01 1xsj s ASP 142 CO 0.14 -0.98 1.81 0.35 0.52 0.00 0.00 175.17 177.01 1xsj n THR 143 N 5.52 0.38 -0.05 1.71 -2.24 0.21 -1.07 114.28 118.75 1xsj n THR 143 Ca -0.09 -0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 1xsj n THR 143 Cb 0.43 -0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 67.95 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 0.48 -0.03 3.42 2.35 -1.91 -3.35 115.58 116.54 1xsj h ASN 144 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1xsj h ASN 144 Cb 0.54 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1xsj h ASN 144 CO 0.00 0.93 0.00 -0.46 -1.65 0.00 0.00 177.43 176.25 1xsj n ASN 145 N -4.43 2.13 -2.79 5.81 0.23 -1.23 -5.01 115.26 109.97 1xsj n ASN 145 Ca -0.06 -1.56 -0.19 0.00 -0.53 0.00 0.00 54.58 52.23 1xsj n ASN 145 Cb 0.44 -0.01 0.01 0.00 -2.08 0.00 0.00 39.78 38.14 1xsj n ASN 145 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsj n GLN 146 N 0.74 -3.09 -4.16 -3.83 6.02 -0.23 -5.01 117.38 107.82 1xsj n GLN 146 Ca 0.08 0.75 -0.27 0.00 -0.01 0.00 0.00 57.00 57.54 1xsj n GLN 146 Cb 0.33 -5.46 -0.07 0.00 1.02 0.00 0.00 30.24 26.06 1xsj n GLN 146 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xsj s ARG 147 N -5.43 2.56 -0.03 -1.09 0.52 -1.15 -4.96 118.95 109.37 1xsj s ARG 147 Ca 0.17 -0.99 0.07 0.00 -0.52 0.00 0.00 55.73 54.46 1xsj s ARG 147 Cb -0.08 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 1xsj s ARG 147 CO 0.21 0.48 -0.25 -0.80 0.02 0.00 0.00 175.30 174.96 1xsj s ASN 148 N -2.85 3.15 0.16 0.23 0.01 -1.26 -1.10 114.94 113.28 1xsj s ASN 148 Ca 0.28 -0.45 0.08 0.00 -0.71 0.00 0.00 52.86 52.06 1xsj s ASN 148 Cb -0.10 -0.49 -0.04 0.00 0.41 0.00 0.00 41.25 41.03 1xsj s ASN 148 CO 0.20 0.31 -0.18 -0.31 -1.51 0.00 0.00 177.10 175.61 1xsj s TYR 149 N -0.53 1.76 0.04 2.20 2.02 0.03 -2.72 117.35 120.14 1xsj s TYR 149 Ca 0.07 -0.48 0.07 0.00 -0.37 0.00 0.00 57.07 56.36 1xsj s TYR 149 Cb -0.11 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.54 1xsj s TYR 149 CO 0.00 0.30 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.47 1xsj s MET 150 N -2.79 2.11 0.06 -0.62 -1.94 -0.65 -0.29 119.30 115.18 1xsj s MET 150 Ca 0.15 -0.96 -0.05 0.00 -1.71 0.00 0.00 55.69 53.12 1xsj s MET 150 Cb -0.06 -2.21 -0.02 0.00 2.01 0.00 0.00 34.83 34.56 1xsj s MET 150 CO 0.06 0.55 0.08 -0.59 -0.01 0.00 0.00 175.02 175.10 1xsj s PHE 151 N -0.92 0.31 0.05 -0.03 -0.71 0.38 -1.86 117.98 115.19 1xsj s PHE 151 Ca 0.15 -0.75 0.01 0.00 -1.04 0.00 0.00 56.93 55.30 1xsj s PHE 151 Cb -0.11 -0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.47 1xsj s PHE 151 CO 0.05 -0.43 -0.05 -2.00 -1.34 0.00 0.00 175.22 171.45 1xsj s GLU 152 N -3.51 0.52 -0.16 1.99 2.56 -0.41 -1.36 118.70 118.33 1xsj s GLU 152 Ca 0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 54.97 54.11 1xsj s GLU 152 Cb 0.04 -0.09 0.05 0.00 2.00 0.00 0.00 34.13 36.13 1xsj s GLU 152 CO -0.09 -0.01 -0.00 1.03 -0.56 0.00 0.00 175.26 175.63 1xsj s ARG 153 N -2.24 0.91 -0.14 4.30 0.52 0.33 -0.90 118.95 121.72 1xsj s ARG 153 Ca -0.06 -0.36 -0.14 0.00 -0.52 0.00 0.00 55.73 54.65 1xsj s ARG 153 Cb -0.05 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.51 1xsj s ARG 153 CO -0.02 -0.51 0.32 -0.51 0.02 0.00 0.00 175.30 174.60 1xsj s LEU 154 N 1.80 4.27 0.64 2.53 1.43 0.10 -4.38 118.68 125.07 1xsj s LEU 154 Ca 0.01 0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 53.51 1xsj s LEU 154 Cb -0.16 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 1xsj s LEU 154 CO -0.07 0.11 1.25 -1.81 0.23 0.00 0.00 176.35 176.06 1xsj s ASP 155 N 0.31 4.74 -0.10 2.29 1.01 -0.01 -0.99 116.67 123.91 1xsj s ASP 155 Ca 0.18 2.49 0.03 0.00 0.71 0.00 0.00 52.55 55.97 1xsj s ASP 155 Cb -0.13 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.18 1xsj s ASP 155 CO 0.05 -1.91 -0.20 -0.76 0.21 0.00 0.00 175.17 172.57 1xsj s LEU 156 N -4.40 2.33 0.92 1.23 1.43 -0.02 -4.64 118.68 115.54 1xsj s LEU 156 Ca 0.79 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 53.32 1xsj s LEU 156 Cb -0.33 -1.48 0.20 0.00 0.03 0.00 0.00 46.19 44.60 1xsj s LEU 156 CO 0.38 0.19 1.26 -0.83 0.23 0.00 0.00 176.35 177.59 1xsj s GLY 157 N 0.15 1.79 0.16 -3.19 0.00 -1.26 -4.76 107.32 100.21 1xsj s GLY 157 Ca -0.11 -1.40 -0.31 0.00 0.00 0.00 0.00 44.72 42.90 1xsj s GLY 157 CO 0.06 -0.64 1.64 0.14 0.00 0.00 0.00 173.10 174.30 1xsj s VAL 158 N -3.75 2.55 -0.80 1.40 1.01 -1.26 -1.51 120.40 118.04 1xsj s VAL 158 Ca 0.74 0.33 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1xsj s VAL 158 Cb -0.03 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1xsj s VAL 158 CO 0.51 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1xsj n GLY 159 N 3.88 0.93 3.67 4.51 0.00 -1.26 -5.00 105.19 111.92 1xsj n GLY 159 Ca 0.15 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.38 4.30 0.17 1.61 2.12 -0.57 -4.98 118.70 118.97 1xsj s GLU 160 Ca 0.00 0.87 0.08 0.00 0.36 0.00 0.00 54.97 56.28 1xsj s GLU 160 Cb 0.00 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1xsj s GLU 160 CO 0.00 -0.23 -0.08 0.95 -0.54 0.00 0.00 175.26 175.36 1xsj s THR 161 N 1.83 3.32 0.00 -1.70 -4.23 -1.26 -4.85 115.64 108.76 1xsj s THR 161 Ca 0.35 -1.55 0.08 0.00 -1.18 0.00 0.00 61.69 59.39 1xsj s THR 161 Cb -0.17 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1xsj s THR 161 CO 0.13 -0.08 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.19 1xsj s VAL 162 N -1.63 2.16 0.11 2.29 1.01 -1.26 -2.27 120.40 120.81 1xsj s VAL 162 Ca 0.25 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1xsj s VAL 162 Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1xsj s VAL 162 CO 0.16 0.50 -0.03 -0.31 0.00 0.00 0.00 175.10 175.42 1xsj s TYR 163 N -0.69 0.86 0.00 5.22 2.02 0.22 -0.01 117.35 124.97 1xsj s TYR 163 Ca 0.11 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 1xsj s TYR 163 Cb -0.10 -0.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.94 1xsj s TYR 163 CO 0.00 -0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.13 1xsj n GLY 164 N -0.05 0.92 2.44 0.71 0.00 -1.26 -1.35 105.19 106.59 1xsj n GLY 164 Ca -0.11 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.37 0.00 0.99 4.77 0.15 -4.80 117.00 116.75 1xsj n LEU 165 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1xsj n LEU 165 Cb 0.00 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 38.69 1xsj n LEU 165 CO 0.00 -0.67 0.00 0.61 -1.33 0.00 0.00 177.39 176.00 1xsj n GLY 166 N -0.96 -1.21 3.46 -0.72 0.00 -1.23 -3.13 105.19 101.39 1xsj n GLY 166 Ca -0.18 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 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 3.11 0.17 1.61 2.12 -0.04 -3.69 118.70 121.99 1xsj s GLU 167 Ca 0.00 -0.82 0.11 0.00 0.36 0.00 0.00 54.97 54.62 1xsj s GLU 167 Cb 0.00 -4.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.12 1xsj s GLU 167 CO 0.00 -1.83 -0.23 1.03 -0.54 0.00 0.00 175.26 173.70 1xsj s ARG 168 N 4.12 1.58 0.00 4.30 0.52 -1.26 -4.60 118.95 123.60 1xsj s ARG 168 Ca 0.22 -1.42 0.11 0.00 -0.52 0.00 0.00 55.73 54.12 1xsj s ARG 168 Cb -0.17 -1.92 0.06 0.00 0.52 0.00 0.00 34.95 33.44 1xsj s ARG 168 CO 0.10 0.42 0.77 1.19 0.02 0.00 0.00 175.30 177.81 1xsj n PHE 169 N 0.44 0.00 -1.46 -0.53 3.72 -1.26 -2.68 117.46 115.70 1xsj n PHE 169 Ca -0.14 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.07 1xsj n PHE 169 Cb 0.55 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.23 1xsj n PHE 169 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1xsj n THR 170 N 0.32 0.00 -1.55 4.37 -2.24 -1.26 -4.83 114.28 109.08 1xsj n THR 170 Ca 0.06 -0.58 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 1xsj n THR 170 Cb 0.25 -1.57 0.01 0.00 -2.10 0.00 0.00 70.33 66.92 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 -3.70 -0.46 -0.10 6.98 0.00 -1.26 -4.88 120.51 117.09 1xsj n ALA 171 Ca -0.14 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1xsj n ALA 171 Cb 0.38 -1.97 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 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 1.26 0.41 -9.36 0.00 5.85 -1.93 -3.41 115.31 108.14 1xsj h LEU 172 Ca -0.43 -0.09 -0.55 0.00 0.84 0.00 0.00 57.88 57.65 1xsj h LEU 172 Cb 1.36 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1xsj h LEU 172 CO 0.55 0.38 0.31 -0.69 -0.34 0.00 0.00 178.44 178.65 1xsj s VAL 173 N -5.85 4.91 -0.62 1.05 1.01 -1.26 -4.61 120.40 115.04 1xsj s VAL 173 Ca -0.13 1.84 0.25 0.00 0.00 0.00 0.00 61.98 63.93 1xsj s VAL 173 Cb 0.09 -4.22 0.21 0.00 0.00 0.00 0.00 36.38 32.46 1xsj s VAL 173 CO 0.72 0.16 1.57 0.03 0.00 0.00 0.00 175.10 177.58 1xsj h ARG 174 N 6.87 0.00 -6.20 2.72 -0.00 -0.67 -3.47 114.38 113.64 1xsj h ARG 174 Ca -0.39 0.00 -0.71 0.00 -0.50 0.00 0.00 59.98 58.38 1xsj h ARG 174 Cb 1.20 0.00 0.02 0.00 0.00 0.00 0.00 29.97 31.19 1xsj h ARG 174 CO 0.77 0.00 0.84 0.09 0.00 0.00 0.00 179.97 181.67 1xsj n ASN 175 N -2.40 2.41 0.00 7.04 4.13 -1.26 -0.94 115.26 124.23 1xsj n ASN 175 Ca 0.04 1.07 0.00 0.00 1.68 0.00 0.00 54.58 57.37 1xsj n ASN 175 Cb 0.46 -1.19 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 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 3.89 0.38 3.68 7.41 0.00 0.15 -4.99 105.19 115.71 1xsj n GLY 176 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1xsj n GLY 176 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xsj s GLN 177 N -0.87 2.83 0.05 1.61 -0.21 -0.12 -4.69 119.66 118.26 1xsj s GLN 177 Ca 0.00 -0.56 -0.14 0.00 0.02 0.00 0.00 55.36 54.68 1xsj s GLN 177 Cb 0.00 -2.69 -0.06 0.00 1.00 0.00 0.00 33.01 31.26 1xsj s GLN 177 CO 0.00 0.64 0.45 0.95 -2.12 0.00 0.00 175.29 175.21 1xsj s THR 178 N -1.03 4.98 -0.06 -0.19 -4.23 -1.26 -1.29 115.64 112.56 1xsj s THR 178 Ca 0.18 0.80 -0.00 0.00 -1.18 0.00 0.00 61.69 61.49 1xsj s THR 178 Cb -0.11 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.03 1xsj s THR 178 CO 0.08 0.46 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.92 1xsj s VAL 179 N -1.21 0.39 -0.23 2.29 1.01 0.32 -4.98 120.40 117.99 1xsj s VAL 179 Ca 0.29 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 1xsj s VAL 179 Cb -0.16 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1xsj s VAL 179 CO 0.16 0.23 0.06 -1.61 0.00 0.00 0.00 175.10 173.94 1xsj s GLU 180 N 1.54 3.69 -1.06 2.72 0.41 -1.26 0.33 118.70 125.08 1xsj s GLU 180 Ca -0.02 -0.47 -0.18 0.00 -0.41 0.00 0.00 54.97 53.90 1xsj s GLU 180 Cb -0.13 -3.27 0.12 0.00 -1.78 0.00 0.00 34.13 29.08 1xsj s GLU 180 CO -0.03 -0.09 1.32 0.95 -0.49 0.00 0.00 175.26 176.92 1xsj s THR 181 N 1.34 4.63 -0.19 3.63 -4.23 -0.62 -4.88 115.64 115.32 1xsj s THR 181 Ca 0.05 -1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 1xsj s THR 181 Cb -0.15 -4.90 0.09 0.00 1.34 0.00 0.00 72.50 68.88 1xsj s THR 181 CO 0.03 -1.66 0.24 0.86 -0.54 0.00 0.00 174.62 173.55 1xsj s TRP 182 N 2.89 -0.33 0.25 3.99 -0.11 -1.26 -4.02 118.94 120.35 1xsj s TRP 182 Ca 0.40 0.36 -0.31 0.00 1.22 0.00 0.00 56.10 57.76 1xsj s TRP 182 Cb -0.03 -0.29 -0.12 0.00 -1.50 0.00 0.00 33.47 31.53 1xsj s TRP 182 CO -0.05 -0.58 1.63 0.09 -4.62 0.00 0.00 176.95 173.42 1xsj n ASN 183 N 5.33 3.76 -3.96 5.86 3.02 -1.26 -4.66 115.26 123.34 1xsj n ASN 183 Ca -0.05 1.11 -0.08 0.00 -0.03 0.00 0.00 54.58 55.52 1xsj n ASN 183 Cb 0.50 -1.56 -0.08 0.00 -0.61 0.00 0.00 39.78 38.02 1xsj n ASN 183 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1xsj s ARG 184 N 0.22 0.79 -0.79 3.52 0.52 -0.12 -4.59 118.95 118.50 1xsj s ARG 184 Ca 0.70 -1.09 -0.12 0.00 -0.52 0.00 0.00 55.73 54.69 1xsj s ARG 184 Cb -0.53 0.29 0.21 0.00 0.52 0.00 0.00 34.95 35.44 1xsj s ARG 184 CO 0.42 -0.22 0.71 0.34 0.02 0.00 0.00 175.30 176.57 1xsj s ASP 185 N -2.90 6.51 0.00 0.23 2.15 -1.26 -3.22 116.67 118.19 1xsj s ASP 185 Ca 0.07 -2.69 0.00 0.00 0.43 0.00 0.00 52.55 50.37 1xsj s ASP 185 Cb 0.06 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1xsj s ASP 185 CO -0.09 -0.55 0.68 0.61 -0.17 0.00 0.00 175.17 175.64 1xsj n GLY 186 N 3.94 0.49 7.00 2.66 0.00 -1.26 -5.11 105.19 112.90 1xsj n GLY 186 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.21 -0.57 0.21 -0.02 0.00 -1.26 -4.42 105.19 98.92 1xsj n GLY 187 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 44.92 1xsj n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xsj n THR 188 N 0.00 0.93 0.05 2.61 -2.24 -1.25 -4.69 114.28 109.69 1xsj n THR 188 Ca 0.00 -0.97 0.05 0.00 -2.27 0.00 0.00 64.05 60.86 1xsj n THR 188 Cb 0.00 0.54 0.09 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.14 2.38 -3.99 3.42 7.64 -1.26 -4.77 113.62 116.90 1xsj n SER 189 Ca 0.04 -1.76 -0.26 0.00 1.01 0.00 0.00 58.87 57.89 1xsj n SER 189 Cb 0.29 -0.12 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 1xsj n SER 189 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xsj s THR 190 N -0.91 0.47 -1.12 0.44 -4.23 -1.26 -5.02 115.64 104.01 1xsj s THR 190 Ca 0.16 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.77 1xsj s THR 190 Cb 0.09 -2.28 0.11 0.00 1.34 0.00 0.00 72.50 71.76 1xsj s THR 190 CO 0.12 0.00 1.29 -1.84 -0.54 0.00 0.00 174.62 173.66 1xsj n GLU 191 N -0.95 0.04 -1.98 3.99 0.00 -1.26 -4.43 120.64 116.06 1xsj n GLU 191 Ca -0.06 0.29 -0.30 0.00 0.00 0.00 0.00 57.16 57.09 1xsj n GLU 191 Cb 0.64 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.62 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 -2.88 3.07 -0.06 3.44 -0.21 -1.26 -4.92 119.66 116.83 1xsj s GLN 192 Ca 0.06 0.46 -0.08 0.00 0.02 0.00 0.00 55.36 55.82 1xsj s GLN 192 Cb 0.07 -2.08 0.02 0.00 1.00 0.00 0.00 33.01 32.01 1xsj s GLN 192 CO 0.18 -0.85 0.22 0.00 -2.12 0.00 0.00 175.29 172.72 1xsj s ALA 193 N -3.25 -0.54 0.21 6.09 0.00 -1.26 -4.66 121.76 118.36 1xsj s ALA 193 Ca 0.56 0.47 0.11 0.00 0.00 0.00 0.00 51.96 53.10 1xsj s ALA 193 Cb -0.11 -0.25 0.24 0.00 0.00 0.00 0.00 23.12 23.00 1xsj s ALA 193 CO 0.51 -0.14 1.54 1.88 0.00 0.00 0.00 175.76 179.55 1xsj h TYR 194 N 5.35 0.00 -3.20 0.00 0.05 -1.80 -0.28 116.97 117.09 1xsj h TYR 194 Ca -0.27 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.89 1xsj h TYR 194 Cb 1.19 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.53 1xsj h TYR 194 CO 0.45 0.68 -0.71 0.15 -1.05 0.00 0.00 178.16 177.68 1xsj s LYS 195 N -3.37 1.37 -0.10 4.88 1.02 -1.26 -3.51 119.74 118.77 1xsj s LYS 195 Ca -0.00 -1.97 -0.04 0.00 0.02 0.00 0.00 55.97 53.98 1xsj s LYS 195 Cb 0.12 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1xsj s LYS 195 CO 0.77 -1.09 0.05 -0.80 -0.92 0.00 0.00 175.35 173.36 1xsj s ASN 196 N 0.50 5.67 -0.08 2.83 0.01 -1.25 -0.86 114.94 121.76 1xsj s ASN 196 Ca 0.15 0.27 -0.03 0.00 -0.71 0.00 0.00 52.86 52.54 1xsj s ASN 196 Cb -0.23 -1.70 0.05 0.00 0.41 0.00 0.00 41.25 39.78 1xsj s ASN 196 CO -0.05 0.39 0.15 -0.63 -1.51 0.00 0.00 177.10 175.45 1xsj s ILE 197 N -0.93 -0.25 -0.00 0.60 -1.09 -1.18 -4.46 121.20 113.88 1xsj s ILE 197 Ca 0.14 0.36 -0.05 0.00 -2.23 0.00 0.00 60.65 58.87 1xsj s ILE 197 Cb -0.12 -0.28 -0.20 0.00 -1.58 0.00 0.00 42.46 40.28 1xsj s ILE 197 CO 0.03 0.15 3.22 -0.81 -1.23 0.00 0.00 174.94 176.30 1xsj n PRO 198 N 5.31 1.75 -5.13 2.79 -0.04 -1.26 -3.57 135.00 134.84 1xsj n PRO 198 Ca -0.05 -0.76 -0.31 0.00 -0.04 0.00 0.00 63.50 62.34 1xsj n PRO 198 Cb 0.50 -1.75 -0.17 0.00 -0.04 0.00 0.00 33.50 32.04 1xsj n PRO 198 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xsj s PHE 199 N 0.74 2.43 0.18 0.54 5.36 -1.26 -1.09 117.98 124.89 1xsj s PHE 199 Ca 0.50 -0.99 0.07 0.00 -0.96 0.00 0.00 56.93 55.55 1xsj s PHE 199 Cb 0.24 -1.63 -0.05 0.00 -0.34 0.00 0.00 43.02 41.24 1xsj s PHE 199 CO -0.00 -0.41 -0.14 1.52 -1.46 0.00 0.00 175.22 174.73 1xsj s TYR 200 N 0.39 1.60 0.15 10.12 -0.85 -0.65 0.31 117.35 128.42 1xsj s TYR 200 Ca -0.18 -0.60 0.01 0.00 -0.52 0.00 0.00 57.07 55.78 1xsj s TYR 200 Cb -0.18 -0.76 -0.04 0.00 0.38 0.00 0.00 41.96 41.35 1xsj s TYR 200 CO 0.08 0.29 0.01 0.00 -1.52 0.00 0.00 175.55 174.40 1xsj s MET 201 N -3.55 1.02 0.38 -3.49 0.23 -0.46 -0.96 119.30 112.48 1xsj s MET 201 Ca 0.20 -1.48 0.04 0.00 -1.03 0.00 0.00 55.69 53.42 1xsj s MET 201 Cb -0.01 -0.14 -0.05 0.00 -1.53 0.00 0.00 34.83 33.11 1xsj s MET 201 CO 0.05 -0.15 0.06 0.95 -2.03 0.00 0.00 175.02 173.91 1xsj s THR 202 N -3.75 1.15 -1.86 3.16 -4.23 -0.99 -0.61 115.64 108.52 1xsj s THR 202 Ca 0.22 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 1xsj s THR 202 Cb 0.06 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1xsj s THR 202 CO 0.02 0.00 0.97 -0.46 -0.54 0.00 0.00 174.62 174.61 1xsj n ASN 203 N -0.94 0.36 -1.25 3.99 6.94 -0.96 -2.74 115.26 120.67 1xsj n ASN 203 Ca -0.05 -2.01 0.11 0.00 -0.02 0.00 0.00 54.58 52.60 1xsj n ASN 203 Cb 0.66 -0.09 0.30 0.00 -2.36 0.00 0.00 39.78 38.29 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 -0.32 2.80 -2.51 -3.83 5.12 -1.26 -4.98 116.66 111.68 1xsj n ARG 204 Ca 0.01 -2.58 -0.04 0.00 -1.93 0.00 0.00 57.85 53.32 1xsj n ARG 204 Cb 0.07 -1.54 0.01 0.00 -1.16 0.00 0.00 32.46 29.85 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 1.43 0.54 3.27 -0.13 0.00 -1.11 -4.92 105.19 104.29 1xsj n GLY 205 Ca 0.22 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.06 0.04 0.25 1.61 -0.85 -1.26 -1.75 117.35 112.33 1xsj s TYR 206 Ca 0.06 -0.41 0.04 0.00 -0.52 0.00 0.00 57.07 56.24 1xsj s TYR 206 Cb -0.03 0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.34 1xsj s TYR 206 CO 0.13 -0.64 -0.00 0.20 -1.52 0.00 0.00 175.55 173.72 1xsj s GLY 207 N -2.85 1.68 -0.05 5.49 0.00 -0.09 -2.35 107.32 109.16 1xsj s GLY 207 Ca 0.06 -1.84 -0.02 0.00 0.00 0.00 0.00 44.72 42.92 1xsj s GLY 207 CO -0.10 -1.72 0.04 0.14 0.00 0.00 0.00 173.10 171.47 1xsj s VAL 208 N -3.33 0.03 -0.23 1.40 1.01 -0.13 -0.42 120.40 118.72 1xsj s VAL 208 Ca 0.30 0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.53 1xsj s VAL 208 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1xsj s VAL 208 CO 0.10 0.20 0.12 -0.22 0.00 0.00 0.00 175.10 175.30 1xsj s LEU 209 N 2.09 3.87 -0.29 3.92 2.96 -0.39 -1.64 118.68 129.19 1xsj s LEU 209 Ca 0.05 0.02 -0.17 0.00 -0.22 0.00 0.00 54.13 53.80 1xsj s LEU 209 Cb -0.12 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 1xsj s LEU 209 CO -0.04 0.06 0.46 -0.69 -1.32 0.00 0.00 176.35 174.83 1xsj s VAL 210 N 1.07 5.09 -1.26 1.68 1.01 -0.25 -0.30 120.40 127.44 1xsj s VAL 210 Ca 0.06 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 62.56 1xsj s VAL 210 Cb -0.14 -3.83 0.18 0.00 0.00 0.00 0.00 36.38 32.59 1xsj s VAL 210 CO 0.04 0.01 1.98 -3.20 0.00 0.00 0.00 175.10 173.93 1xsj n ASN 211 N 5.53 6.23 -3.48 3.32 5.15 0.10 -4.78 115.26 127.34 1xsj n ASN 211 Ca -0.06 -3.18 -0.15 0.00 -0.60 0.00 0.00 54.58 50.59 1xsj n ASN 211 Cb 0.50 -1.40 -0.11 0.00 -0.53 0.00 0.00 39.78 38.23 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 -0.68 -0.46 0.24 1.20 3.76 -1.26 -4.71 115.29 113.37 1xsj s HIS 212 Ca 0.43 0.51 0.28 0.00 -0.15 0.00 0.00 55.06 56.13 1xsj s HIS 212 Cb 0.12 -0.20 1.26 0.00 1.11 0.00 0.00 32.58 34.87 1xsj s HIS 212 CO -0.02 -0.60 1.96 -1.35 -0.85 0.00 0.00 174.74 173.88 1xsj h PRO 213 N 8.27 0.00 0.00 8.40 0.11 -1.88 -3.44 132.00 143.45 1xsj h PRO 213 Ca -0.17 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.85 1xsj h PRO 213 Cb 1.15 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.30 1xsj h PRO 213 CO 0.26 0.13 0.05 0.00 -0.21 0.00 0.00 178.00 178.23 1xsj n GLN 214 N -3.37 -0.95 -1.94 1.05 0.00 -1.26 -4.45 117.38 106.46 1xsj n GLN 214 Ca -0.00 -0.38 -0.42 0.00 0.00 0.00 0.00 57.00 56.19 1xsj n GLN 214 Cb 0.33 -0.31 -0.03 0.00 0.00 0.00 0.00 30.24 30.23 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 2.19 3.79 -0.41 0.00 1.01 -1.26 -4.59 120.40 121.13 1xsj s VAL 216 Ca 0.72 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 1xsj s VAL 216 Cb -0.41 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.42 1xsj s VAL 216 CO 0.32 0.54 0.25 -0.55 0.00 0.00 0.00 175.10 175.66 1xsj s SER 217 N -0.12 5.70 -0.12 3.32 0.15 -0.67 -1.59 113.70 120.37 1xsj s SER 217 Ca 0.02 -1.32 -0.12 0.00 0.70 0.00 0.00 55.95 55.23 1xsj s SER 217 Cb -0.13 -2.01 -0.05 0.00 -1.71 0.00 0.00 66.02 62.12 1xsj s SER 217 CO 0.03 -0.49 0.25 -0.36 1.20 0.00 0.00 173.24 173.86 1xsj s PHE 218 N 1.48 3.55 -0.42 3.44 0.40 0.15 -1.78 117.98 124.81 1xsj s PHE 218 Ca 0.02 0.62 0.00 0.00 -0.60 0.00 0.00 56.93 56.98 1xsj s PHE 218 Cb -0.22 -2.19 0.11 0.00 0.51 0.00 0.00 43.02 41.23 1xsj s PHE 218 CO 0.04 0.47 0.18 -1.21 0.70 0.00 0.00 175.22 175.40 1xsj s GLU 219 N -0.28 1.87 -0.84 0.44 0.41 0.07 -0.52 118.70 119.85 1xsj s GLU 219 Ca 0.16 -2.01 -0.17 0.00 -0.41 0.00 0.00 54.97 52.54 1xsj s GLU 219 Cb -0.13 -3.43 0.16 0.00 -1.78 0.00 0.00 34.13 28.94 1xsj s GLU 219 CO 0.05 -1.04 0.93 0.08 -0.49 0.00 0.00 175.26 174.79 1xsj s VAL 220 N 0.76 5.05 -1.46 2.63 1.01 -0.41 -1.43 120.40 126.55 1xsj s VAL 220 Ca 0.11 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.31 1xsj s VAL 220 Cb -0.21 -4.62 0.00 0.00 0.00 0.00 0.00 36.38 31.54 1xsj s VAL 220 CO -0.05 -1.28 0.00 0.61 0.00 0.00 0.00 175.10 174.38 1xsj n GLY 221 N 4.92 -0.08 0.02 4.51 0.00 0.01 0.35 105.19 114.92 1xsj n GLY 221 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.68 0.44 0.03 1.61 3.41 -1.26 -3.79 113.62 112.37 1xsj n SER 222 Ca -0.19 -0.72 -0.01 0.00 -0.26 0.00 0.00 58.87 57.70 1xsj n SER 222 Cb 0.62 0.93 -0.00 0.00 -0.26 0.00 0.00 64.21 65.50 1xsj n SER 222 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xsj n GLU 223 N -1.07 0.04 -3.64 4.33 2.13 -1.26 -4.94 120.64 116.23 1xsj n GLU 223 Ca 0.02 0.02 -0.40 0.00 0.66 0.00 0.00 57.16 57.46 1xsj n GLU 223 Cb 0.12 -0.56 -0.11 0.00 0.27 0.00 0.00 31.44 31.15 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 -2.06 2.97 0.56 5.31 -0.14 -1.26 -4.98 119.74 120.15 1xsj s LYS 224 Ca -0.02 -0.97 0.34 0.00 -1.36 0.00 0.00 55.97 53.96 1xsj s LYS 224 Cb 0.00 -3.64 1.60 0.00 -1.68 0.00 0.00 37.83 34.12 1xsj s LYS 224 CO 0.03 -0.60 2.08 -0.39 -0.76 0.00 0.00 175.35 175.71 1xsj h VAL 225 N 5.84 0.17 -0.64 3.17 -1.51 -1.93 -1.87 116.25 119.48 1xsj h VAL 225 Ca -0.28 -0.45 -0.30 0.00 -1.23 0.00 0.00 66.70 64.45 1xsj h VAL 225 Cb 1.12 1.38 -0.18 0.00 -2.13 0.00 0.00 31.29 31.48 1xsj h VAL 225 CO 0.64 0.05 0.25 -1.54 -1.23 0.00 0.00 177.57 175.74 1xsj n SER 226 N -3.23 3.41 -3.77 4.19 3.41 -1.26 -4.55 113.62 111.81 1xsj n SER 226 Ca -0.01 -3.58 -0.13 0.00 -0.26 0.00 0.00 58.87 54.90 1xsj n SER 226 Cb 0.25 -0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 63.39 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 -3.20 0.69 -0.33 4.33 1.02 -0.70 -0.84 119.74 120.71 1xsj s LYS 227 Ca 0.51 -0.32 -0.15 0.00 0.02 0.00 0.00 55.97 56.03 1xsj s LYS 227 Cb 0.43 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 38.03 1xsj s LYS 227 CO 0.07 -0.20 0.35 0.08 -0.92 0.00 0.00 175.35 174.73 1xsj s VAL 228 N -1.73 5.18 -0.15 3.17 1.01 -0.17 -0.81 120.40 126.91 1xsj s VAL 228 Ca -0.11 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 1xsj s VAL 228 Cb -0.04 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1xsj s VAL 228 CO 0.02 -0.06 0.12 -1.58 0.00 0.00 0.00 175.10 173.60 1xsj s GLN 229 N 2.00 3.71 0.00 2.72 0.74 -0.51 -0.72 119.66 127.59 1xsj s GLN 229 Ca 0.12 -0.20 0.01 0.00 0.05 0.00 0.00 55.36 55.33 1xsj s GLN 229 Cb -0.16 -3.24 -0.00 0.00 1.10 0.00 0.00 33.01 30.70 1xsj s GLN 229 CO 0.11 0.57 -0.02 -0.59 -0.55 0.00 0.00 175.29 174.82 1xsj s PHE 230 N -0.43 0.17 0.04 1.67 -0.12 -0.08 -0.75 117.98 118.48 1xsj s PHE 230 Ca 0.11 -0.06 0.01 0.00 -0.05 0.00 0.00 56.93 56.94 1xsj s PHE 230 Cb -0.12 -0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.14 1xsj s PHE 230 CO 0.02 -0.01 -0.05 -1.54 -0.05 0.00 0.00 175.22 173.59 1xsj s SER 231 N -0.12 0.60 -0.07 1.98 1.04 -0.73 -1.29 113.70 115.10 1xsj s SER 231 Ca -0.00 -0.70 -0.11 0.00 0.48 0.00 0.00 55.95 55.63 1xsj s SER 231 Cb -0.01 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1xsj s SER 231 CO -0.00 -0.36 0.27 0.54 0.98 0.00 0.00 173.24 174.66 1xsj s VAL 232 N -2.28 0.03 -0.67 5.02 0.11 -0.77 -1.67 120.40 120.16 1xsj s VAL 232 Ca -0.05 -0.22 -0.27 0.00 -2.93 0.00 0.00 61.98 58.51 1xsj s VAL 232 Cb -0.04 -0.46 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 1xsj s VAL 232 CO -0.03 -0.12 1.40 -0.70 -3.33 0.00 0.00 175.10 172.32 1xsj s GLU 233 N -0.43 3.14 -0.15 1.54 2.12 -1.26 -1.64 118.70 122.02 1xsj s GLU 233 Ca -0.05 0.09 -0.31 0.00 0.36 0.00 0.00 54.97 55.05 1xsj s GLU 233 Cb -0.04 -4.19 0.13 0.00 0.26 0.00 0.00 34.13 30.29 1xsj s GLU 233 CO 0.02 -2.18 1.08 0.45 -0.54 0.00 0.00 175.26 174.09 1xsj s SER 234 N 4.59 -0.26 0.00 -1.70 0.15 -1.10 -4.98 113.70 110.40 1xsj s SER 234 Ca 0.45 0.14 0.29 0.00 0.70 0.00 0.00 55.95 57.52 1xsj s SER 234 Cb -0.09 0.24 1.25 0.00 -1.71 0.00 0.00 66.02 65.71 1xsj s SER 234 CO 0.19 -0.34 1.88 -0.62 1.20 0.00 0.00 173.24 175.55 1xsj n GLU 235 N 0.22 0.66 -3.91 5.44 -0.58 -1.26 -3.59 120.64 117.62 1xsj n GLU 235 Ca -0.05 -0.21 -0.09 0.00 -0.42 0.00 0.00 57.16 56.38 1xsj n GLU 235 Cb 0.59 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.87 1xsj n GLU 235 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1xsj s TYR 236 N -2.48 0.18 -0.08 -0.32 -0.85 -1.26 -1.28 117.35 111.26 1xsj s TYR 236 Ca 0.29 -0.49 0.05 0.00 -0.52 0.00 0.00 57.07 56.40 1xsj s TYR 236 Cb 0.20 -0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.41 1xsj s TYR 236 CO 0.47 -0.39 -0.24 -1.17 -1.52 0.00 0.00 175.55 172.70 1xsj s LEU 237 N -2.19 2.08 -0.06 -3.49 2.96 0.61 -4.84 118.68 113.75 1xsj s LEU 237 Ca -0.04 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1xsj s LEU 237 Cb -0.00 -1.39 0.01 0.00 0.50 0.00 0.00 46.19 45.30 1xsj s LEU 237 CO -0.05 0.20 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.35 1xsj s GLU 238 N 0.09 1.77 0.08 1.98 2.12 -1.26 -0.43 118.70 123.06 1xsj s GLU 238 Ca -0.11 -0.45 -0.04 0.00 0.36 0.00 0.00 54.97 54.72 1xsj s GLU 238 Cb -0.16 -1.46 -0.02 0.00 0.26 0.00 0.00 34.13 32.75 1xsj s GLU 238 CO 0.06 0.06 0.08 1.52 -0.54 0.00 0.00 175.26 176.44 1xsj s TYR 239 N 0.58 0.43 -0.11 5.30 1.13 0.02 -0.72 117.35 123.99 1xsj s TYR 239 Ca -0.14 -0.91 0.04 0.00 -1.41 0.00 0.00 57.07 54.65 1xsj s TYR 239 Cb -0.15 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.44 1xsj s TYR 239 CO 0.04 -0.48 -0.23 -0.06 -2.51 0.00 0.00 175.55 172.30 1xsj s PHE 240 N -3.92 2.56 -0.17 -3.49 0.08 0.59 -0.33 117.98 113.30 1xsj s PHE 240 Ca 0.09 -1.10 -0.15 0.00 0.12 0.00 0.00 56.93 55.90 1xsj s PHE 240 Cb 0.07 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1xsj s PHE 240 CO -0.08 -0.46 0.33 0.08 -0.10 0.00 0.00 175.22 174.99 1xsj s VAL 241 N 0.44 5.28 -0.20 -0.44 1.01 -0.21 -1.27 120.40 125.00 1xsj s VAL 241 Ca -0.17 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1xsj s VAL 241 Cb -0.17 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1xsj s VAL 241 CO 0.07 0.35 -0.13 -0.63 0.00 0.00 0.00 175.10 174.76 1xsj s ILE 242 N 0.68 1.84 0.63 2.22 1.01 0.44 -1.26 121.20 126.76 1xsj s ILE 242 Ca 0.17 -1.09 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 1xsj s ILE 242 Cb -0.14 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1xsj s ILE 242 CO 0.05 0.24 1.05 -0.62 0.00 0.00 0.00 174.94 175.66 1xsj s ASP 243 N 1.32 5.69 0.00 3.58 2.15 -0.31 -0.91 116.67 128.19 1xsj s ASP 243 Ca -0.01 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.67 1xsj s ASP 243 Cb -0.16 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1xsj s ASP 243 CO -0.09 -1.23 0.00 0.61 -0.17 0.00 0.00 175.17 174.29 1xsj n GLY 244 N -1.52 0.11 0.36 2.66 0.00 -0.72 -4.01 105.19 102.07 1xsj n GLY 244 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 1.47 -4.23 1.61 -0.04 -1.26 -4.60 135.00 127.95 1xsj n PRO 245 Ca 0.00 -0.72 -0.24 0.00 -0.04 0.00 0.00 63.50 62.50 1xsj n PRO 245 Cb 0.00 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 1xsj n PRO 245 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xsj s THR 246 N -1.83 3.69 0.30 0.52 -4.23 -1.26 -3.95 115.64 108.87 1xsj s THR 246 Ca 0.27 -1.64 0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1xsj s THR 246 Cb 0.14 -2.92 0.30 0.00 1.34 0.00 0.00 72.50 71.35 1xsj s THR 246 CO 0.21 -0.26 1.77 -0.65 -0.54 0.00 0.00 174.62 175.16 1xsj h PRO 247 N 2.19 0.73 -0.11 3.99 0.11 -1.87 -0.90 132.00 136.13 1xsj h PRO 247 Ca -0.46 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1xsj h PRO 247 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1xsj h PRO 247 CO 0.59 0.48 -0.46 0.87 -0.21 0.00 0.00 178.00 179.27 1xsj h LYS 248 N 0.75 0.28 -0.17 1.05 1.57 -1.97 -1.83 116.57 116.26 1xsj h LYS 248 Ca 0.57 -0.15 -0.19 0.00 -1.87 0.00 0.00 60.65 59.02 1xsj h LYS 248 Cb 0.88 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 1xsj h LYS 248 CO -0.38 0.69 -0.65 0.00 -0.57 0.00 0.00 179.45 178.54 1xsj h ALA 249 N 1.29 0.54 -0.17 3.86 0.00 -1.72 -0.24 119.26 122.82 1xsj h ALA 249 Ca 0.01 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.40 1xsj h ALA 249 Cb 0.90 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1xsj h ALA 249 CO 0.07 0.70 -0.06 0.28 0.00 0.00 0.00 179.25 180.25 1xsj h VAL 250 N 0.47 0.79 -0.40 0.00 2.07 -0.92 -1.56 116.25 116.69 1xsj h VAL 250 Ca -0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1xsj h VAL 250 Cb 1.23 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1xsj h VAL 250 CO 0.13 0.00 -0.11 -0.07 0.02 0.00 0.00 177.57 177.53 1xsj h LEU 251 N -0.03 0.71 0.04 2.57 3.38 -1.19 0.28 115.31 121.06 1xsj h LEU 251 Ca 0.09 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1xsj h LEU 251 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xsj h LEU 251 CO -0.19 0.85 -0.08 -0.78 0.09 0.00 0.00 178.44 178.33 1xsj h ASP 252 N 0.65 -0.21 -0.21 -0.43 3.58 -0.85 0.22 116.42 119.17 1xsj h ASP 252 Ca 0.11 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1xsj h ASP 252 Cb 0.57 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1xsj h ASP 252 CO 0.04 -0.12 0.11 0.03 -2.88 0.00 0.00 179.24 176.42 1xsj h ARG 253 N -0.16 0.29 -0.55 0.28 3.08 -0.74 -1.60 114.38 114.99 1xsj h ARG 253 Ca 0.02 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1xsj h ARG 253 Cb 0.17 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1xsj h ARG 253 CO -0.05 0.29 0.31 -0.92 -1.07 0.00 0.00 179.97 178.53 1xsj h TYR 254 N 0.22 0.57 0.00 3.04 3.20 -0.33 -0.22 116.97 123.46 1xsj h TYR 254 Ca 0.07 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 1xsj h TYR 254 Cb 0.09 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1xsj h TYR 254 CO -0.03 0.31 -0.53 1.79 -1.64 0.00 0.00 178.16 178.06 1xsj h THR 255 N 0.60 1.07 -0.57 1.81 1.35 -0.53 0.44 112.91 117.09 1xsj h THR 255 Ca 0.23 -2.06 -0.06 0.00 -0.55 0.00 0.00 66.41 63.97 1xsj h THR 255 Cb 0.08 2.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 1xsj h THR 255 CO -0.13 0.52 0.12 -0.09 -0.25 0.00 0.00 175.52 175.69 1xsj h ARG 256 N 0.00 0.89 -0.11 4.72 2.43 -1.03 0.25 114.38 121.53 1xsj h ARG 256 Ca -0.01 -0.20 -0.22 0.00 -0.81 0.00 0.00 59.98 58.75 1xsj h ARG 256 Cb 1.18 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1xsj h ARG 256 CO 0.07 0.81 -0.79 0.35 -1.51 0.00 0.00 179.97 178.90 1xsj h PHE 257 N 0.85 1.01 0.00 2.20 3.57 -0.75 -3.38 116.94 120.44 1xsj h PHE 257 Ca 0.18 -0.47 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1xsj h PHE 257 Cb 0.34 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1xsj h PHE 257 CO 0.02 1.30 -0.71 0.25 -2.23 0.00 0.00 178.31 176.94 1xsj n THR 258 N -3.97 0.00 0.00 4.41 -2.24 0.12 -0.06 114.28 112.54 1xsj n THR 258 Ca -0.08 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1xsj n THR 258 Cb 0.75 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 1.40 4.10 3.73 3.38 0.00 0.83 -4.08 105.19 114.55 1xsj n GLY 259 Ca 0.01 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.58 4.63 0.17 1.61 1.81 -0.97 -4.57 118.95 117.05 1xsj s ARG 260 Ca 0.00 1.52 -0.33 0.00 -1.72 0.00 0.00 55.73 55.20 1xsj s ARG 260 Cb 0.00 -3.37 -0.15 0.00 -0.45 0.00 0.00 34.95 30.97 1xsj s ARG 260 CO 0.00 0.10 1.24 -2.30 -0.68 0.00 0.00 175.30 173.67 1xsj n PRO 261 N 3.01 1.33 -1.81 3.54 -0.02 -1.26 -4.06 135.00 135.74 1xsj n PRO 261 Ca 0.04 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.67 1xsj n PRO 261 Cb 0.49 -2.03 0.03 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.02 2.64 -0.41 3.55 0.00 -1.25 -4.03 121.76 122.24 1xsj s ALA 262 Ca 0.74 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.77 1xsj s ALA 262 Cb -0.83 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.08 1xsj s ALA 262 CO 0.50 -1.07 0.97 -1.17 0.00 0.00 0.00 175.76 174.99 1xsj s LEU 263 N -4.95 3.93 0.52 0.00 2.96 -1.26 -4.75 118.68 115.13 1xsj s LEU 263 Ca 0.62 0.49 -0.20 0.00 -0.22 0.00 0.00 54.13 54.82 1xsj s LEU 263 Cb -0.16 -3.32 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 1xsj s LEU 263 CO 0.44 -0.97 1.12 -2.84 -1.32 0.00 0.00 176.35 172.77 1xsj s PRO 264 N 3.72 3.51 0.72 0.98 0.02 -1.26 -4.92 135.00 137.77 1xsj s PRO 264 Ca 0.40 1.59 -0.16 0.00 0.02 0.00 0.00 61.00 62.85 1xsj s PRO 264 Cb -0.11 -2.10 0.01 0.00 0.02 0.00 0.00 34.50 32.32 1xsj s PRO 264 CO 0.22 -0.71 0.95 -0.35 -0.33 0.00 0.00 177.00 176.79 1xsj n PRO 265 N -1.08 0.49 0.03 5.54 -0.04 -1.25 -4.88 135.00 133.81 1xsj n PRO 265 Ca 0.10 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.82 1xsj n PRO 265 Cb 0.51 -2.21 0.42 0.00 -0.04 0.00 0.00 33.50 32.17 1xsj n PRO 265 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsj h ALA 266 N -0.27 1.65 0.00 0.55 0.00 -1.89 -2.60 119.26 116.70 1xsj h ALA 266 Ca -0.47 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1xsj h ALA 266 Cb 1.33 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xsj h ALA 266 CO 0.47 0.29 -0.13 0.11 0.00 0.00 0.00 179.25 179.99 1xsj h TRP 267 N 0.47 0.00 0.00 0.00 5.08 -1.90 -2.13 115.95 117.47 1xsj h TRP 267 Ca 0.12 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.09 1xsj h TRP 267 Cb 0.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.21 1xsj h TRP 267 CO 0.00 0.13 0.00 0.66 -1.28 0.00 0.00 178.44 177.95 1xsj h SER 268 N 0.00 0.00 -0.01 0.11 4.64 -1.82 -1.93 113.55 114.54 1xsj h SER 268 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xsj h SER 268 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xsj h SER 268 CO 0.02 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.47 1xsj n PHE 269 N -2.55 0.01 -1.03 4.77 3.72 -0.80 -4.73 117.46 116.86 1xsj n PHE 269 Ca 0.01 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1xsj n PHE 269 Cb 0.25 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1xsj n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xsj n GLY 270 N 0.94 -0.69 3.71 1.37 0.00 -0.73 -4.82 105.19 104.97 1xsj n GLY 270 Ca 0.19 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 4.32 -0.11 0.99 2.96 -1.26 -4.33 118.68 121.24 1xsj s LEU 271 Ca 0.00 1.34 -0.07 0.00 -0.22 0.00 0.00 54.13 55.18 1xsj s LEU 271 Cb 0.00 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.40 1xsj s LEU 271 CO 0.00 -0.19 0.13 0.26 -1.32 0.00 0.00 176.35 175.23 1xsj s TRP 272 N 1.01 3.58 0.02 5.38 0.52 -0.37 -1.12 118.94 127.95 1xsj s TRP 272 Ca 0.42 0.51 0.05 0.00 0.02 0.00 0.00 56.10 57.10 1xsj s TRP 272 Cb -0.19 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.19 1xsj s TRP 272 CO 0.21 0.72 -0.14 -1.17 0.02 0.00 0.00 176.95 176.59 1xsj s LEU 273 N -1.05 2.10 0.46 2.99 0.20 -0.32 -1.20 118.68 121.86 1xsj s LEU 273 Ca 0.15 -0.36 0.05 0.00 0.69 0.00 0.00 54.13 54.66 1xsj s LEU 273 Cb -0.12 -0.68 -0.03 0.00 -0.43 0.00 0.00 46.19 44.93 1xsj s LEU 273 CO 0.04 0.11 0.11 0.42 -0.29 0.00 0.00 176.35 176.74 1xsj s THR 274 N -0.60 1.77 -0.98 3.68 -4.23 -0.84 -0.82 115.64 113.62 1xsj s THR 274 Ca 0.04 -1.84 0.21 0.00 -1.18 0.00 0.00 61.69 58.91 1xsj s THR 274 Cb -0.07 -2.61 0.17 0.00 1.34 0.00 0.00 72.50 71.33 1xsj s THR 274 CO 0.00 0.00 1.67 0.35 -0.54 0.00 0.00 174.62 176.10 1xsj n THR 275 N -1.25 0.58 -0.90 3.99 -2.24 -1.01 -4.82 114.28 108.63 1xsj n THR 275 Ca -0.08 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 1xsj n THR 275 Cb 0.66 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.53 -5.36 0.00 3.42 7.64 -1.26 -4.74 113.62 111.79 1xsj n SER 276 Ca 0.05 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1xsj n SER 276 Cb 0.25 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 60.69 1xsj n SER 276 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xsj n PHE 277 N -3.11 0.00 -0.47 1.43 7.35 -0.21 -4.54 117.46 117.90 1xsj n PHE 277 Ca 0.00 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.80 1xsj n PHE 277 Cb 0.41 -0.16 0.33 0.00 0.35 0.00 0.00 39.48 40.41 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 -2.06 1.34 -1.01 -2.13 -2.24 -0.28 -4.60 114.28 103.31 1xsj n THR 278 Ca 0.00 -1.09 -0.29 0.00 -2.27 0.00 0.00 64.05 60.40 1xsj n THR 278 Cb 0.00 0.35 0.22 0.00 -2.10 0.00 0.00 70.33 68.80 1xsj n THR 278 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xsj s THR 279 N -1.35 1.78 0.17 4.28 -4.23 -1.25 -4.98 115.64 110.06 1xsj s THR 279 Ca 0.49 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.83 1xsj s THR 279 Cb 0.28 -2.42 -0.07 0.00 1.34 0.00 0.00 72.50 71.63 1xsj s THR 279 CO 0.29 0.00 0.63 0.20 -0.54 0.00 0.00 174.62 175.20 1xsj s ASN 280 N -3.51 6.97 -0.26 3.99 0.02 -1.26 -5.04 114.94 115.84 1xsj s ASN 280 Ca 0.68 1.25 -0.24 0.00 -1.02 0.00 0.00 52.86 53.54 1xsj s ASN 280 Cb -0.15 -2.36 0.07 0.00 0.02 0.00 0.00 41.25 38.83 1xsj s ASN 280 CO 0.58 0.10 0.70 -0.72 0.02 0.00 0.00 177.10 177.78 1xsj s TYR 281 N -1.43 -0.77 0.28 2.20 1.13 -1.26 -5.01 117.35 112.50 1xsj s TYR 281 Ca 0.39 1.87 -0.02 0.00 -1.41 0.00 0.00 57.07 57.90 1xsj s TYR 281 Cb -0.16 0.26 0.01 0.00 -1.10 0.00 0.00 41.96 40.97 1xsj s TYR 281 CO 0.20 -0.37 0.40 -0.40 -2.51 0.00 0.00 175.55 172.87 1xsj n ASP 282 N 2.72 -1.12 -0.24 -0.18 3.85 -1.26 -4.96 116.55 115.35 1xsj n ASP 282 Ca -0.14 -2.50 0.04 0.00 -0.71 0.00 0.00 54.79 51.48 1xsj n ASP 282 Cb 0.55 2.08 0.16 0.00 -1.35 0.00 0.00 41.12 42.56 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 0.38 -0.19 0.11 4.81 -2.00 -1.74 114.58 115.96 1xsj h GLU 283 Ca -0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1xsj h GLU 283 Cb 0.95 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1xsj h GLU 283 CO 0.30 0.25 0.12 0.00 -0.73 0.00 0.00 179.01 178.95 1xsj h ALA 284 N 1.52 0.24 -0.37 2.92 0.00 -1.96 -1.10 119.26 120.50 1xsj h ALA 284 Ca 0.38 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1xsj h ALA 284 Cb 0.57 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1xsj h ALA 284 CO -0.40 -0.28 0.11 1.15 0.00 0.00 0.00 179.25 179.83 1xsj h THR 285 N 0.24 0.86 0.01 0.00 2.02 -1.84 0.74 112.91 114.93 1xsj h THR 285 Ca 0.07 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1xsj h THR 285 Cb -0.01 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1xsj h THR 285 CO -0.01 0.04 -0.15 0.58 0.37 0.00 0.00 175.52 176.36 1xsj h VAL 286 N 0.25 0.64 -0.78 3.16 2.07 -1.04 -1.49 116.25 119.07 1xsj h VAL 286 Ca 0.17 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.77 1xsj h VAL 286 Cb 0.17 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1xsj h VAL 286 CO -0.20 0.00 0.44 0.78 0.02 0.00 0.00 177.57 178.62 1xsj h ASN 287 N -0.25 0.64 -0.99 0.57 2.35 -0.98 -0.87 115.58 116.05 1xsj h ASN 287 Ca 0.05 0.04 0.13 0.00 -0.55 0.00 0.00 56.30 55.97 1xsj h ASN 287 Cb 0.31 -0.08 -0.09 0.00 0.05 0.00 0.00 38.32 38.50 1xsj h ASN 287 CO -0.14 0.38 0.61 -1.28 -1.65 0.00 0.00 177.43 175.36 1xsj h SER 288 N 0.77 0.88 -0.18 5.81 0.87 -0.37 0.19 113.55 121.52 1xsj h SER 288 Ca 0.36 0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.83 1xsj h SER 288 Cb 0.29 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1xsj h SER 288 CO -0.22 0.44 -0.49 -0.26 -0.53 0.00 0.00 176.83 175.77 1xsj h PHE 289 N 0.93 0.83 -0.26 2.24 0.04 -0.16 -0.36 116.94 120.21 1xsj h PHE 289 Ca 0.50 -0.33 -0.11 0.00 2.80 0.00 0.00 57.97 60.84 1xsj h PHE 289 Cb 0.55 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 1xsj h PHE 289 CO -0.01 1.11 -0.28 0.82 -0.60 0.00 0.00 178.31 179.35 1xsj h ILE 290 N 0.32 1.31 -0.48 -0.55 2.04 -0.90 -1.32 117.51 117.93 1xsj h ILE 290 Ca -0.01 -1.45 -0.10 0.00 1.00 0.00 0.00 64.86 64.30 1xsj h ILE 290 Cb 1.11 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 1xsj h ILE 290 CO 0.11 0.46 -0.09 0.44 0.00 0.00 0.00 178.15 179.06 1xsj h ASP 291 N 0.36 0.91 -0.87 1.72 3.32 -0.69 -2.11 116.42 119.06 1xsj h ASP 291 Ca 0.04 -0.35 0.11 0.00 0.02 0.00 0.00 57.03 56.85 1xsj h ASP 291 Cb 0.84 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 40.07 1xsj h ASP 291 CO 0.07 1.05 0.50 1.23 -1.72 0.00 0.00 179.24 180.36 1xsj h GLY 292 N 0.75 1.37 0.74 2.75 0.00 -0.96 0.24 103.07 107.97 1xsj h GLY 292 Ca 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1xsj h GLY 292 CO 0.04 0.11 -0.17 -0.33 0.00 0.00 0.00 176.54 176.20 1xsj h MET 293 N 0.81 -0.45 -0.66 4.80 2.86 -1.12 -2.92 114.93 118.24 1xsj h MET 293 Ca 0.43 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 58.15 1xsj h MET 293 Cb 0.43 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 1xsj h MET 293 CO -0.27 -0.16 0.38 0.00 1.06 0.00 0.00 176.91 177.92 1xsj h ALA 294 N -0.19 0.89 0.00 6.32 0.00 -1.12 0.57 119.26 125.73 1xsj h ALA 294 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xsj h ALA 294 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xsj h ALA 294 CO 0.08 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.32 1xsj h GLU 295 N 0.70 0.00 -0.56 0.00 5.08 -0.56 -1.03 114.58 118.21 1xsj h GLU 295 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1xsj h GLU 295 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xsj h GLU 295 CO -0.17 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.38 1xsj n ARG 296 N -2.85 2.65 -3.38 2.33 1.74 -0.78 -4.95 116.66 111.41 1xsj n ARG 296 Ca -0.01 -2.40 -0.24 0.00 -0.77 0.00 0.00 57.85 54.43 1xsj n ARG 296 Cb 0.18 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.20 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 1.33 -6.13 -4.43 0.55 3.02 -0.39 -4.98 115.26 104.24 1xsj n ASN 297 Ca 0.20 -0.45 -0.42 0.00 -0.03 0.00 0.00 54.58 53.88 1xsj n ASN 297 Cb 0.56 -4.88 -0.10 0.00 -0.61 0.00 0.00 39.78 34.75 1xsj n ASN 297 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xsj s LEU 298 N -7.04 5.03 0.51 3.41 1.43 0.12 -4.92 118.68 117.22 1xsj s LEU 298 Ca 0.48 -0.97 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 1xsj s LEU 298 Cb -0.21 -2.12 -0.06 0.00 0.03 0.00 0.00 46.19 43.82 1xsj s LEU 298 CO 0.59 -0.45 1.39 -2.65 0.23 0.00 0.00 176.35 175.46 1xsj n PRO 299 N 5.11 1.94 -3.73 1.29 -0.02 -1.26 -4.16 135.00 134.17 1xsj n PRO 299 Ca -0.11 0.70 -0.12 0.00 -2.02 0.00 0.00 63.50 61.95 1xsj n PRO 299 Cb 0.46 -2.60 -0.12 0.00 -0.02 0.00 0.00 33.50 31.22 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 -3.12 0.36 -0.00 2.45 1.98 -1.26 -4.82 118.68 114.27 1xsj s LEU 300 Ca 0.67 0.65 0.00 0.00 -2.89 0.00 0.00 54.13 52.57 1xsj s LEU 300 Cb -0.43 0.99 -0.00 0.00 0.66 0.00 0.00 46.19 47.40 1xsj s LEU 300 CO 0.53 -0.16 0.00 1.41 -1.89 0.00 0.00 176.35 176.24 1xsj n HIS 301 N 3.94 0.00 -4.14 5.38 8.25 -0.28 -4.82 115.22 123.55 1xsj n HIS 301 Ca -0.22 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.06 1xsj n HIS 301 Cb 0.55 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.50 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 -2.00 0.44 -0.07 1.59 1.01 -0.54 -1.39 120.40 119.43 1xsj s VAL 302 Ca -0.00 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1xsj s VAL 302 Cb 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1xsj s VAL 302 CO 0.00 0.17 -0.18 0.12 0.00 0.00 0.00 175.10 175.21 1xsj s PHE 303 N 0.43 2.64 -0.11 5.22 5.36 0.01 -1.18 117.98 130.35 1xsj s PHE 303 Ca -0.05 -0.47 0.02 0.00 -0.96 0.00 0.00 56.93 55.48 1xsj s PHE 303 Cb -0.09 -1.67 -0.01 0.00 -0.34 0.00 0.00 43.02 40.91 1xsj s PHE 303 CO -0.00 -0.05 -0.20 -1.58 -1.46 0.00 0.00 175.22 171.93 1xsj s HIS 304 N -0.27 2.66 -0.32 10.12 5.65 -0.00 -1.23 115.29 131.90 1xsj s HIS 304 Ca 0.01 -0.90 -0.19 0.00 0.25 0.00 0.00 55.06 54.23 1xsj s HIS 304 Cb -0.13 -1.77 -0.01 0.00 -1.18 0.00 0.00 32.58 29.50 1xsj s HIS 304 CO 0.03 -0.34 0.58 -0.06 -0.65 0.00 0.00 174.74 174.29 1xsj s PHE 305 N 0.36 3.20 0.00 3.88 0.08 -0.17 -2.41 117.98 122.92 1xsj s PHE 305 Ca -0.15 0.42 -0.00 0.00 0.12 0.00 0.00 56.93 57.32 1xsj s PHE 305 Cb -0.17 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1xsj s PHE 305 CO 0.07 -0.50 0.00 -3.47 -0.10 0.00 0.00 175.22 171.23 1xsj n ASP 306 N 5.83 0.00 -0.35 1.36 2.03 -1.26 -0.88 116.55 123.28 1xsj n ASP 306 Ca -0.03 -1.00 0.11 0.00 0.52 0.00 0.00 54.79 54.39 1xsj n ASP 306 Cb 0.49 -0.00 0.30 0.00 -0.72 0.00 0.00 41.12 41.18 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 -4.73 0.00 0.24 0.00 3.72 -1.26 -2.06 117.46 113.37 1xsj n PHE 308 Ca 0.22 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.75 1xsj n PHE 308 Cb 0.51 -0.02 0.47 0.00 -0.94 0.00 0.00 39.48 39.50 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 0.22 0.00 -2.13 1.38 5.08 -1.78 -3.44 115.95 115.28 1xsj h TRP 309 Ca 0.00 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.48 1xsj h TRP 309 Cb 0.10 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.22 1xsj h TRP 309 CO 0.00 0.10 -0.50 -1.64 -1.28 0.00 0.00 178.44 175.13 1xsj s MET 310 N -3.53 2.97 0.36 0.12 -1.94 -0.87 0.06 119.30 116.47 1xsj s MET 310 Ca 0.02 -1.05 -0.27 0.00 -1.71 0.00 0.00 55.69 52.68 1xsj s MET 310 Cb 0.08 -2.60 -0.10 0.00 2.01 0.00 0.00 34.83 34.23 1xsj s MET 310 CO 0.61 0.35 1.30 0.15 -0.01 0.00 0.00 175.02 177.42 1xsj s LYS 311 N -3.89 4.19 0.34 2.03 1.02 -1.26 -4.75 119.74 117.42 1xsj s LYS 311 Ca 0.35 2.18 -0.27 0.00 0.02 0.00 0.00 55.97 58.24 1xsj s LYS 311 Cb -0.08 -2.93 -0.13 0.00 -0.52 0.00 0.00 37.83 34.18 1xsj s LYS 311 CO 0.26 -0.31 1.05 0.00 -0.92 0.00 0.00 175.35 175.43 1xsj n ALA 312 N 0.50 0.16 -0.78 5.17 0.00 -1.26 -1.85 120.51 122.45 1xsj n ALA 312 Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1xsj n ALA 312 Cb 0.43 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 0.01 0.00 -0.08 0.00 3.72 -1.26 -4.78 117.46 115.07 1xsj n PHE 313 Ca 0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.54 1xsj n PHE 313 Cb 0.35 -0.71 0.14 0.00 -0.94 0.00 0.00 39.48 38.32 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 -1.95 2.53 -1.84 -1.08 6.02 -0.77 -3.98 117.38 116.30 1xsj n GLN 314 Ca 0.00 -1.94 -0.38 0.00 -0.01 0.00 0.00 57.00 54.67 1xsj n GLN 314 Cb 0.01 -1.27 0.04 0.00 1.02 0.00 0.00 30.24 30.04 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 -0.99 2.34 -1.17 1.08 0.51 -1.25 -2.23 118.94 117.23 1xsj s TRP 315 Ca 0.22 1.40 -0.12 0.00 -2.12 0.00 0.00 56.10 55.48 1xsj s TRP 315 Cb 0.12 -3.74 0.02 0.00 -0.81 0.00 0.00 33.47 29.05 1xsj s TRP 315 CO 0.16 -2.74 0.22 0.00 -0.51 0.00 0.00 176.95 174.09 1xsj n ASP 317 N -2.03 2.63 -0.12 0.00 5.75 -0.95 -4.71 116.55 117.12 1xsj n ASP 317 Ca -0.20 -1.82 -0.02 0.00 -0.01 0.00 0.00 54.79 52.75 1xsj n ASP 317 Cb 0.53 0.07 -0.01 0.00 -1.03 0.00 0.00 41.12 40.68 1xsj n ASP 317 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1xsj n PHE 318 N 1.01 0.00 -3.55 2.11 3.72 -1.26 -4.99 117.46 114.49 1xsj n PHE 318 Ca 0.12 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.14 1xsj n PHE 318 Cb 0.51 -1.51 -0.10 0.00 -0.94 0.00 0.00 39.48 37.44 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 -1.58 4.03 0.42 -1.08 0.41 -1.26 -5.05 118.70 114.59 1xsj s GLU 319 Ca 0.00 -0.17 -0.26 0.00 -0.41 0.00 0.00 54.97 54.13 1xsj s GLU 319 Cb 0.00 -3.60 -0.10 0.00 -1.78 0.00 0.00 34.13 28.65 1xsj s GLU 319 CO 0.00 -0.09 1.31 0.91 -0.49 0.00 0.00 175.26 176.90 1xsj n TRP 320 N 4.76 2.29 -2.01 1.61 7.02 -1.26 -4.20 117.44 125.64 1xsj n TRP 320 Ca -0.13 0.49 -0.43 0.00 -1.02 0.00 0.00 57.50 56.41 1xsj n TRP 320 Cb 0.52 -2.40 -0.03 0.00 -2.42 0.00 0.00 31.31 26.98 1xsj n TRP 320 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1xsj s ASP 321 N -0.50 5.89 0.54 -0.99 -1.08 0.11 -4.80 116.67 115.84 1xsj s ASP 321 Ca 0.61 1.27 0.21 0.00 -0.52 0.00 0.00 52.55 54.11 1xsj s ASP 321 Cb -0.50 -2.53 1.44 0.00 -1.46 0.00 0.00 42.92 39.87 1xsj s ASP 321 CO 0.58 -1.72 2.16 -0.65 0.52 0.00 0.00 175.17 176.06 1xsj h PRO 322 N 12.87 0.00 0.19 4.34 0.11 -1.90 0.35 132.00 147.95 1xsj h PRO 322 Ca -0.33 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.44 1xsj h PRO 322 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1xsj h PRO 322 CO 1.04 0.00 -1.65 -0.07 -0.21 0.00 0.00 178.00 177.11 1xsj h LEU 323 N 0.00 0.64 0.03 2.35 3.38 -1.98 -3.10 115.31 116.63 1xsj h LEU 323 Ca 0.03 -0.86 -0.26 0.00 0.09 0.00 0.00 57.88 56.88 1xsj h LEU 323 Cb 0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1xsj h LEU 323 CO -0.00 1.71 -1.34 0.74 0.09 0.00 0.00 178.44 179.64 1xsj h THR 324 N 0.11 1.32 -2.42 0.22 2.02 -1.90 -3.41 112.91 108.85 1xsj h THR 324 Ca -0.31 -3.06 -0.59 0.00 0.77 0.00 0.00 66.41 63.22 1xsj h THR 324 Cb 2.10 2.70 -0.39 0.00 -1.74 0.00 0.00 68.15 70.82 1xsj h THR 324 CO 0.20 0.79 -0.89 0.49 0.37 0.00 0.00 175.52 176.48 1xsj n PHE 325 N -3.28 0.41 0.35 3.16 3.72 0.12 -4.05 117.46 117.89 1xsj n PHE 325 Ca -0.09 -3.63 0.14 0.00 -0.05 0.00 0.00 57.45 53.82 1xsj n PHE 325 Cb 1.00 -0.11 0.57 0.00 -0.94 0.00 0.00 39.48 40.00 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 5.14 0.00 -1.92 -1.08 0.11 -1.73 -3.36 132.00 129.16 1xsj h PRO 326 Ca 0.20 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.77 1xsj h PRO 326 Cb 0.85 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.58 1xsj h PRO 326 CO 0.50 0.00 -1.09 -3.47 -0.21 0.00 0.00 178.00 173.73 1xsj n ASP 327 N -2.59 0.09 0.07 -2.05 2.03 -1.26 -5.01 116.55 107.82 1xsj n ASP 327 Ca 0.02 -2.74 -0.11 0.00 0.52 0.00 0.00 54.79 52.47 1xsj n ASP 327 Cb 0.27 -0.53 -0.05 0.00 -0.72 0.00 0.00 41.12 40.09 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 3.93 -0.36 -0.31 -0.67 0.11 -1.99 -0.86 132.00 131.84 1xsj h PRO 328 Ca 0.06 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1xsj h PRO 328 Cb 0.89 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1xsj h PRO 328 CO 0.46 -0.24 0.11 1.49 -0.21 0.00 0.00 178.00 179.61 1xsj h GLU 329 N -0.38 0.47 -0.46 1.05 4.81 -1.95 -1.77 114.58 116.36 1xsj h GLU 329 Ca 0.06 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1xsj h GLU 329 Cb 0.45 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 1xsj h GLU 329 CO -0.20 0.50 0.19 0.78 -0.73 0.00 0.00 179.01 179.55 1xsj h GLY 330 N 0.35 0.62 0.44 1.92 0.00 -1.91 -1.02 103.07 103.47 1xsj h GLY 330 Ca 0.10 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.36 1xsj h GLY 330 CO -0.01 0.05 -0.17 1.98 0.00 0.00 0.00 176.54 178.39 1xsj h MET 331 N 0.38 -0.22 0.00 4.80 1.85 -0.91 -0.43 114.93 120.40 1xsj h MET 331 Ca 0.21 0.01 -0.11 0.00 -0.61 0.00 0.00 59.70 59.20 1xsj h MET 331 Cb 0.18 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.24 1xsj h MET 331 CO -0.19 -0.14 -0.53 -0.84 -0.40 0.00 0.00 176.91 174.80 1xsj h ILE 332 N -0.23 1.25 -0.46 1.77 -0.00 -1.10 0.60 117.51 119.36 1xsj h ILE 332 Ca 0.09 -1.90 -0.04 0.00 -0.00 0.00 0.00 64.86 63.02 1xsj h ILE 332 Cb 0.36 2.06 -0.02 0.00 -0.00 0.00 0.00 36.82 39.21 1xsj h ILE 332 CO -0.24 0.52 0.14 0.03 -0.00 0.00 0.00 178.15 178.59 1xsj h ARG 333 N 0.00 0.72 -0.62 0.16 3.08 -0.87 0.68 114.38 117.52 1xsj h ARG 333 Ca -0.01 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.89 1xsj h ARG 333 Cb 1.02 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1xsj h ARG 333 CO 0.07 0.69 0.41 0.00 -1.07 0.00 0.00 179.97 180.07 1xsj h ARG 334 N 0.61 0.81 -0.06 0.04 3.08 -0.66 -2.09 114.38 116.11 1xsj h ARG 334 Ca 0.15 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1xsj h ARG 334 Cb 0.28 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1xsj h ARG 334 CO -0.00 0.54 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.17 1xsj h LEU 335 N 0.84 0.09 0.00 3.04 3.38 -0.39 -2.78 115.31 119.48 1xsj h LEU 335 Ca 0.23 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1xsj h LEU 335 Cb -0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1xsj h LEU 335 CO -0.05 0.29 -0.48 0.50 0.09 0.00 0.00 178.44 178.79 1xsj h LYS 336 N 0.09 0.00 -0.64 1.13 3.64 -0.63 -3.19 116.57 116.97 1xsj h LYS 336 Ca 0.02 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1xsj h LYS 336 Cb 0.40 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1xsj h LYS 336 CO 0.03 0.29 0.07 0.00 -2.27 0.00 0.00 179.45 177.57 1xsj h ALA 337 N 1.68 0.92 0.00 5.00 0.00 -1.09 -1.14 119.26 124.63 1xsj h ALA 337 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xsj h ALA 337 Cb 1.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xsj h ALA 337 CO 0.04 0.66 0.00 1.63 0.00 0.00 0.00 179.25 181.58 1xsj n LYS 338 N -4.20 0.38 0.00 0.00 5.02 -1.19 -4.83 118.16 113.34 1xsj n LYS 338 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1xsj n LYS 338 Cb 0.31 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.72 1.21 3.77 0.72 0.00 -0.43 -4.98 105.19 106.19 1xsj n GLY 339 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1xsj n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsj s LEU 340 N 0.00 3.84 0.23 0.99 1.43 -1.24 -5.03 118.68 118.89 1xsj s LEU 340 Ca 0.00 2.34 -0.08 0.00 -1.03 0.00 0.00 54.13 55.36 1xsj s LEU 340 Cb 0.00 -4.43 -0.07 0.00 0.03 0.00 0.00 46.19 41.72 1xsj s LEU 340 CO 0.00 -1.24 0.53 -0.54 0.23 0.00 0.00 176.35 175.33 1xsj s LYS 341 N -3.04 3.76 -0.08 1.70 -0.14 -0.49 -4.51 119.74 116.94 1xsj s LYS 341 Ca 0.70 0.20 0.05 0.00 -1.36 0.00 0.00 55.97 55.56 1xsj s LYS 341 Cb -0.29 -2.67 -0.00 0.00 -1.68 0.00 0.00 37.83 33.18 1xsj s LYS 341 CO 0.33 0.32 -0.24 0.42 -0.76 0.00 0.00 175.35 175.42 1xsj s ILE 342 N -1.83 2.06 0.06 2.17 1.09 -1.26 -0.81 121.20 122.68 1xsj s ILE 342 Ca 0.46 -1.04 0.09 0.00 -1.10 0.00 0.00 60.65 59.06 1xsj s ILE 342 Cb -0.11 -1.76 -0.03 0.00 -1.06 0.00 0.00 42.46 39.49 1xsj s ILE 342 CO 0.23 0.56 -0.26 0.00 -0.10 0.00 0.00 174.94 175.38 1xsj s VAL 344 N -0.86 1.45 0.26 0.00 -7.23 -1.14 -1.00 120.40 111.88 1xsj s VAL 344 Ca 0.12 -1.28 -0.29 0.00 -1.81 0.00 0.00 61.98 58.72 1xsj s VAL 344 Cb -0.10 -1.31 -0.10 0.00 0.56 0.00 0.00 36.38 35.43 1xsj s VAL 344 CO 0.03 -0.00 1.30 0.86 -0.31 0.00 0.00 175.10 176.98 1xsj s TRP 345 N -1.01 3.19 0.19 2.82 -0.00 -0.06 -1.49 118.94 122.58 1xsj s TRP 345 Ca 0.04 1.33 -0.00 0.00 -0.00 0.00 0.00 56.10 57.47 1xsj s TRP 345 Cb -0.09 -3.62 -0.04 0.00 -0.00 0.00 0.00 33.47 29.71 1xsj s TRP 345 CO 0.03 -1.81 0.09 0.96 -0.00 0.00 0.00 176.95 176.21 1xsj s ILE 346 N -0.52 0.24 0.33 5.86 -4.36 -0.53 -4.89 121.20 117.32 1xsj s ILE 346 Ca 0.53 -1.98 -0.14 0.00 -0.26 0.00 0.00 60.65 58.80 1xsj s ILE 346 Cb -0.38 -2.37 0.03 0.00 1.25 0.00 0.00 42.46 40.99 1xsj s ILE 346 CO 0.45 -0.18 0.65 0.54 0.24 0.00 0.00 174.94 176.64 1xsj s ASN 347 N -3.17 0.11 -0.55 4.36 4.22 -1.26 -2.13 114.94 116.53 1xsj s ASN 347 Ca 0.33 -1.06 0.01 0.00 -2.14 0.00 0.00 52.86 50.01 1xsj s ASN 347 Cb 0.07 0.74 0.52 0.00 1.28 0.00 0.00 41.25 43.86 1xsj s ASN 347 CO 0.09 -1.44 1.89 -0.81 -2.04 0.00 0.00 177.10 174.79 1xsj n PRO 348 N -0.49 2.58 -4.21 3.55 -0.04 -1.26 -4.81 135.00 130.32 1xsj n PRO 348 Ca -0.04 -3.28 -0.14 0.00 -0.04 0.00 0.00 63.50 60.00 1xsj n PRO 348 Cb 0.60 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.74 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 -3.62 1.12 -0.06 0.54 2.02 -1.26 -1.81 117.35 114.28 1xsj s TYR 349 Ca 0.60 -0.75 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1xsj s TYR 349 Cb 0.48 -0.60 0.03 0.00 -0.40 0.00 0.00 41.96 41.48 1xsj s TYR 349 CO 0.03 0.01 0.14 -1.50 -1.57 0.00 0.00 175.55 172.66 1xsj s ILE 350 N -3.08 -0.04 0.30 2.71 2.07 0.11 -3.81 121.20 119.46 1xsj s ILE 350 Ca 0.12 0.15 -0.29 0.00 -1.41 0.00 0.00 60.65 59.22 1xsj s ILE 350 Cb 0.01 -0.23 -0.10 0.00 0.13 0.00 0.00 42.46 42.27 1xsj s ILE 350 CO -0.01 0.06 1.14 -0.83 -1.91 0.00 0.00 174.94 173.39 1xsj s GLY 351 N 1.00 3.03 0.52 1.50 0.00 -1.07 -1.07 107.32 111.24 1xsj s GLY 351 Ca -0.08 0.95 0.18 0.00 0.00 0.00 0.00 44.72 45.77 1xsj s GLY 351 CO -0.05 1.55 2.14 -1.61 0.00 0.00 0.00 173.10 175.13 1xsj h GLN 352 N 3.61 0.00 -0.90 2.90 4.15 -1.38 -2.44 115.11 121.05 1xsj h GLN 352 Ca -0.47 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.10 1xsj h GLN 352 Cb 1.22 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.83 1xsj h GLN 352 CO 0.66 0.00 0.58 -0.22 -1.93 0.00 0.00 178.83 177.92 1xsj h LYS 353 N 0.00 0.66 -6.40 1.69 3.64 -1.78 -3.44 116.57 110.94 1xsj h LYS 353 Ca 0.03 -0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 58.74 1xsj h LYS 353 Cb 0.12 -0.15 0.07 0.00 -0.41 0.00 0.00 32.23 31.86 1xsj h LYS 353 CO -0.00 0.44 0.50 0.45 -2.27 0.00 0.00 179.45 178.56 1xsj n SER 354 N -4.57 2.07 0.26 4.20 2.88 -0.92 -4.85 113.62 112.69 1xsj n SER 354 Ca 0.18 1.12 0.18 0.00 -1.33 0.00 0.00 58.87 59.02 1xsj n SER 354 Cb 0.48 -1.30 0.91 0.00 -0.75 0.00 0.00 64.21 63.56 1xsj n SER 354 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1xsj h PRO 355 N 4.37 0.00 0.00 -1.46 0.11 -1.91 -1.80 132.00 131.31 1xsj h PRO 355 Ca -0.45 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 1xsj h PRO 355 Cb 1.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 1xsj h PRO 355 CO 0.77 0.00 -0.67 0.28 -0.21 0.00 0.00 178.00 178.17 1xsj h VAL 356 N 0.00 1.32 -0.59 3.15 2.07 -1.93 -3.30 116.25 116.97 1xsj h VAL 356 Ca 0.05 -2.42 0.11 0.00 0.82 0.00 0.00 66.70 65.27 1xsj h VAL 356 Cb 0.44 2.36 -0.08 0.00 -1.52 0.00 0.00 31.29 32.48 1xsj h VAL 356 CO -0.00 0.65 0.13 0.15 0.02 0.00 0.00 177.57 178.52 1xsj h PHE 357 N 0.00 0.20 -0.88 1.57 3.04 -1.61 -1.70 116.94 117.56 1xsj h PHE 357 Ca -0.01 0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.00 1xsj h PHE 357 Cb 1.31 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.77 1xsj h PHE 357 CO 0.00 -0.03 0.59 -0.22 -2.02 0.00 0.00 178.31 176.63 1xsj h LYS 358 N 0.26 1.13 -0.49 1.11 3.64 -1.73 -0.94 116.57 119.55 1xsj h LYS 358 Ca 0.31 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1xsj h LYS 358 Cb 0.45 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1xsj h LYS 358 CO -0.39 0.75 0.12 1.49 -2.27 0.00 0.00 179.45 179.15 1xsj h GLU 359 N 1.17 0.79 -0.49 1.90 4.81 -1.54 -1.44 114.58 119.78 1xsj h GLU 359 Ca 0.33 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 1xsj h GLU 359 Cb -0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1xsj h GLU 359 CO -0.08 0.77 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.71 1xsj h LEU 360 N 0.68 1.00 -0.33 1.64 3.38 -0.78 -1.16 115.31 119.74 1xsj h LEU 360 Ca 0.16 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1xsj h LEU 360 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xsj h LEU 360 CO 0.00 1.15 -0.08 -0.61 0.09 0.00 0.00 178.44 178.99 1xsj h GLN 361 N 0.86 0.64 -0.72 1.13 4.15 -1.16 0.89 115.11 120.89 1xsj h GLN 361 Ca 0.12 -0.25 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 1xsj h GLN 361 Cb 0.75 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 1xsj h GLN 361 CO 0.06 0.82 0.43 0.93 -1.93 0.00 0.00 178.83 179.13 1xsj h GLU 362 N 0.42 0.98 0.00 1.69 5.08 -1.08 -2.79 114.58 118.87 1xsj h GLU 362 Ca 0.08 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xsj h GLU 362 Cb 0.58 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xsj h GLU 362 CO 0.03 0.70 -0.13 0.87 -1.00 0.00 0.00 179.01 179.48 1xsj h LYS 363 N 0.98 0.00 -0.27 2.33 1.57 -1.12 -3.48 116.57 116.58 1xsj h LYS 363 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1xsj h LYS 363 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1xsj h LYS 363 CO -0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 1xsj n GLY 364 N 1.22 0.90 0.88 3.86 0.00 0.20 -4.96 105.19 107.28 1xsj n GLY 364 Ca 0.04 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.59 0.00 -4.04 1.61 4.01 -0.54 -4.94 117.16 110.66 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 0.35 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.01 3.88 0.17 7.72 1.43 -1.26 -1.21 118.68 127.39 1xsj s LEU 366 Ca 0.29 0.04 -0.32 0.00 -1.03 0.00 0.00 54.13 53.12 1xsj s LEU 366 Cb 0.20 -2.51 -0.11 0.00 0.03 0.00 0.00 46.19 43.81 1xsj s LEU 366 CO 0.31 0.19 1.71 -0.22 0.23 0.00 0.00 176.35 178.57 1xsj s LEU 367 N -2.30 4.38 0.23 1.79 2.96 0.64 -4.71 118.68 121.66 1xsj s LEU 367 Ca 0.29 2.77 0.07 0.00 -0.22 0.00 0.00 54.13 57.04 1xsj s LEU 367 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1xsj s LEU 367 CO 0.21 -0.95 0.15 -0.54 -1.32 0.00 0.00 176.35 173.91 1xsj s LYS 368 N 1.59 2.82 0.68 1.98 1.02 -1.26 -1.98 119.74 124.58 1xsj s LYS 368 Ca 0.75 -1.07 -0.11 0.00 0.02 0.00 0.00 55.97 55.56 1xsj s LYS 368 Cb -0.47 -2.52 -0.00 0.00 -0.52 0.00 0.00 37.83 34.32 1xsj s LYS 368 CO 0.33 0.41 1.07 1.03 -0.92 0.00 0.00 175.35 177.27 1xsj s ARG 369 N -3.64 3.12 0.61 1.68 0.52 0.08 -0.98 118.95 120.33 1xsj s ARG 369 Ca 0.32 0.57 0.31 0.00 -0.52 0.00 0.00 55.73 56.41 1xsj s ARG 369 Cb -0.08 -2.04 1.78 0.00 0.52 0.00 0.00 34.95 35.13 1xsj s ARG 369 CO 0.24 -0.87 2.15 -1.35 0.02 0.00 0.00 175.30 175.48 1xsj h PRO 370 N -0.54 0.00 0.00 3.54 0.11 -1.83 -0.73 132.00 132.55 1xsj h PRO 370 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xsj h PRO 370 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xsj h PRO 370 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1xsj n ASP 371 N -3.65 0.00 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.44 1xsj n ASP 371 Ca -0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.34 1xsj n ASP 371 Cb 0.25 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1xsj n ASP 371 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsj n GLY 372 N 1.06 1.99 3.75 6.12 0.00 -0.28 -5.08 105.19 112.75 1xsj n GLY 372 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1xsj n GLY 372 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsj s SER 373 N -1.56 3.09 0.14 1.61 1.04 -1.26 -4.74 113.70 112.03 1xsj s SER 373 Ca 0.00 1.00 -0.29 0.00 0.48 0.00 0.00 55.95 57.14 1xsj s SER 373 Cb 0.00 -1.58 -0.07 0.00 0.10 0.00 0.00 66.02 64.47 1xsj s SER 373 CO 0.00 -2.82 0.93 -0.76 0.98 0.00 0.00 173.24 171.57 1xsj s LEU 374 N -6.21 4.54 -0.01 2.42 1.43 -1.26 -0.74 118.68 118.85 1xsj s LEU 374 Ca 0.65 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 55.24 1xsj s LEU 374 Cb -0.16 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 1xsj s LEU 374 CO 0.55 0.01 1.53 0.86 0.23 0.00 0.00 176.35 179.54 1xsj s TRP 375 N -0.37 2.46 0.04 0.29 -0.00 -0.84 -4.66 118.94 115.87 1xsj s TRP 375 Ca 0.44 0.51 0.00 0.00 -0.00 0.00 0.00 56.10 57.05 1xsj s TRP 375 Cb -0.24 -3.81 -0.03 0.00 -0.00 0.00 0.00 33.47 29.40 1xsj s TRP 375 CO 0.29 -3.20 -0.05 -0.65 -0.00 0.00 0.00 176.95 173.35 1xsj s GLN 376 N 3.07 0.49 0.23 5.86 -0.21 -1.26 -4.49 119.66 123.35 1xsj s GLN 376 Ca 0.69 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 55.17 1xsj s GLN 376 Cb -0.33 0.00 0.01 0.00 1.00 0.00 0.00 33.01 33.69 1xsj s GLN 376 CO 0.28 -0.04 0.33 -2.67 -2.12 0.00 0.00 175.29 171.07 1xsj n TRP 377 N 1.02 -1.16 -0.19 0.91 2.14 -1.06 -4.94 117.44 114.16 1xsj n TRP 377 Ca -0.20 -1.48 0.06 0.00 2.07 0.00 0.00 57.50 57.95 1xsj n TRP 377 Cb 0.57 0.38 0.16 0.00 -0.81 0.00 0.00 31.31 31.60 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 -1.76 2.96 -4.77 -0.67 8.00 -1.26 -0.68 116.55 118.37 1xsj n ASP 378 Ca -0.00 -2.01 -0.39 0.00 0.71 0.00 0.00 54.79 53.10 1xsj n ASP 378 Cb 0.38 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.02 4.49 0.00 -1.24 -0.14 -1.26 -4.34 119.74 116.23 1xsj s LYS 379 Ca 0.24 1.61 0.00 0.00 -1.36 0.00 0.00 55.97 56.46 1xsj s LYS 379 Cb 0.13 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.34 1xsj s LYS 379 CO 0.16 0.13 0.00 1.87 -0.76 0.00 0.00 175.35 176.76 1xsj n TRP 380 N 0.72 0.00 -4.24 3.18 -0.00 -1.26 -4.75 117.44 111.09 1xsj n TRP 380 Ca 0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.30 1xsj n TRP 380 Cb 0.47 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.66 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 0.99 0.23 5.87 -1.52 -1.26 -5.01 119.66 118.96 1xsj s GLN 381 Ca 0.00 -1.06 -0.31 0.00 -1.95 0.00 0.00 55.36 52.04 1xsj s GLN 381 Cb 0.00 -1.13 -0.10 0.00 -0.22 0.00 0.00 33.01 31.55 1xsj s GLN 381 CO 0.00 0.26 1.53 -2.14 -0.25 0.00 0.00 175.29 174.69 1xsj s PRO 382 N -1.82 4.21 -1.49 2.91 0.02 -1.26 -2.95 135.00 134.61 1xsj s PRO 382 Ca 0.03 2.41 -0.00 0.00 0.02 0.00 0.00 61.00 63.45 1xsj s PRO 382 Cb -0.10 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1xsj s PRO 382 CO 0.03 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 1xsj n GLY 383 N 2.76 -0.35 3.73 0.52 0.00 -1.16 -2.04 105.19 108.65 1xsj n GLY 383 Ca 0.10 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1xsj n GLY 383 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsj s LEU 384 N -5.03 4.36 0.37 0.99 0.20 0.15 -3.21 118.68 116.51 1xsj s LEU 384 Ca 0.00 2.80 0.08 0.00 0.69 0.00 0.00 54.13 57.71 1xsj s LEU 384 Cb -0.00 -3.61 -0.06 0.00 -0.43 0.00 0.00 46.19 42.08 1xsj s LEU 384 CO 0.00 -0.88 0.01 0.00 -0.29 0.00 0.00 176.35 175.19 1xsj s ALA 385 N 0.62 3.19 -0.07 5.97 0.00 -0.23 -2.55 121.76 128.69 1xsj s ALA 385 Ca 0.68 -2.12 0.05 0.00 0.00 0.00 0.00 51.96 50.56 1xsj s ALA 385 Cb -0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1xsj s ALA 385 CO 0.38 -0.02 -0.23 0.42 0.00 0.00 0.00 175.76 176.32 1xsj s ILE 386 N -2.61 2.24 0.00 0.00 1.01 -1.26 0.07 121.20 120.66 1xsj s ILE 386 Ca 0.35 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 1xsj s ILE 386 Cb 0.04 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 1xsj s ILE 386 CO 0.19 0.57 1.53 -0.31 0.00 0.00 0.00 174.94 176.92 1xsj s TYR 387 N -0.07 2.51 -0.88 3.97 1.51 -0.75 -0.26 117.35 123.38 1xsj s TYR 387 Ca -0.06 0.52 -0.23 0.00 -1.01 0.00 0.00 57.07 56.30 1xsj s TYR 387 Cb -0.14 -3.81 0.07 0.00 -0.11 0.00 0.00 41.96 37.96 1xsj s TYR 387 CO 0.05 -3.20 1.25 0.34 -1.11 0.00 0.00 175.55 172.88 1xsj s ASP 388 N 2.39 6.41 0.00 2.29 -1.08 -0.35 -4.78 116.67 121.55 1xsj s ASP 388 Ca 0.69 -1.34 0.10 0.00 -0.52 0.00 0.00 52.55 51.48 1xsj s ASP 388 Cb -0.34 -2.50 0.61 0.00 -1.46 0.00 0.00 42.92 39.23 1xsj s ASP 388 CO 0.29 -1.44 1.30 0.49 0.52 0.00 0.00 175.17 176.32 1xsj n PHE 389 N 8.17 0.00 1.25 -5.34 0.99 -1.26 -1.63 117.46 119.64 1xsj n PHE 389 Ca 0.19 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.77 1xsj n PHE 389 Cb 0.49 0.00 0.33 0.00 -1.00 0.00 0.00 39.48 39.31 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 -0.68 0.00 -3.31 4.37 -2.24 -1.26 -4.78 114.28 106.38 1xsj n THR 390 Ca 0.08 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 1xsj n THR 390 Cb 0.04 0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.36 6.25 0.38 3.42 3.84 -0.65 -4.12 114.94 121.71 1xsj s ASN 391 Ca 0.27 -0.17 0.08 0.00 0.21 0.00 0.00 52.86 53.25 1xsj s ASN 391 Cb 0.19 -2.24 0.83 0.00 -0.55 0.00 0.00 41.25 39.49 1xsj s ASN 391 CO 0.47 -0.44 1.96 1.55 -2.79 0.00 0.00 177.10 177.85 1xsj h PRO 392 N 8.49 0.63 0.00 0.43 0.13 -1.86 -1.06 132.00 138.76 1xsj h PRO 392 Ca -0.28 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.67 1xsj h PRO 392 Cb 1.13 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1xsj h PRO 392 CO 0.75 0.42 -0.65 -0.44 -0.23 0.00 0.00 178.00 177.84 1xsj h ASP 393 N 0.65 0.00 -0.29 1.44 3.32 -1.93 -2.57 116.42 117.04 1xsj h ASP 393 Ca 0.31 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.18 1xsj h ASP 393 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1xsj h ASP 393 CO -0.10 0.65 -0.51 0.00 -1.72 0.00 0.00 179.24 177.56 1xsj h ALA 394 N 1.35 0.46 -0.42 3.45 0.00 -1.50 -1.93 119.26 120.66 1xsj h ALA 394 Ca -0.01 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1xsj h ALA 394 Cb 1.23 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1xsj h ALA 394 CO 0.08 0.64 0.10 0.00 0.00 0.00 0.00 179.25 180.08 1xsj h LYS 396 N 0.23 1.02 -0.43 0.00 3.64 -1.35 0.13 116.57 119.81 1xsj h LYS 396 Ca 0.21 -0.31 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1xsj h LYS 396 Cb 0.24 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1xsj h LYS 396 CO -0.26 1.00 0.26 2.35 -2.27 0.00 0.00 179.45 180.53 1xsj h TRP 397 N 0.91 0.49 -0.16 1.91 7.01 -1.03 -1.41 115.95 123.67 1xsj h TRP 397 Ca 0.17 0.01 -0.13 0.00 2.11 0.00 0.00 58.89 61.06 1xsj h TRP 397 Cb 0.52 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1xsj h TRP 397 CO 0.04 0.29 -0.39 -0.92 -2.79 0.00 0.00 178.44 174.67 1xsj h TYR 398 N 0.53 0.70 -0.78 2.65 3.20 -0.97 -2.49 116.97 119.82 1xsj h TYR 398 Ca 0.17 -0.27 0.06 0.00 3.14 0.00 0.00 58.73 61.83 1xsj h TYR 398 Cb -0.01 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.08 1xsj h TYR 398 CO -0.06 1.02 0.47 0.00 -1.64 0.00 0.00 178.16 177.94 1xsj h ALA 399 N 0.56 1.06 -0.67 1.82 0.00 -0.89 -2.13 119.26 119.01 1xsj h ALA 399 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xsj h ALA 399 Cb 1.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1xsj h ALA 399 CO 0.09 0.18 0.19 -0.44 0.00 0.00 0.00 179.25 179.26 1xsj h ASP 400 N 0.85 0.97 -0.59 0.00 5.19 -1.18 0.12 116.42 121.77 1xsj h ASP 400 Ca 0.34 -0.18 0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1xsj h ASP 400 Cb 0.18 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 1xsj h ASP 400 CO -0.18 0.92 0.38 0.11 -3.12 0.00 0.00 179.24 177.35 1xsj h LYS 401 N 1.00 0.73 -0.31 3.56 1.79 -1.09 -1.52 116.57 120.73 1xsj h LYS 401 Ca 0.22 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.59 1xsj h LYS 401 Cb 0.31 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1xsj h LYS 401 CO -0.00 0.48 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.76 1xsj h LEU 402 N 0.75 0.56 -0.95 2.94 3.38 -0.72 -2.36 115.31 118.91 1xsj h LEU 402 Ca 0.23 -0.32 0.16 0.00 0.09 0.00 0.00 57.88 58.03 1xsj h LEU 402 Cb -0.03 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.47 1xsj h LEU 402 CO -0.08 0.75 0.55 0.11 0.09 0.00 0.00 178.44 179.87 1xsj h LYS 403 N 0.36 0.75 -0.86 1.13 1.57 -0.75 -0.75 116.57 118.02 1xsj h LYS 403 Ca 0.09 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1xsj h LYS 403 Cb 0.47 -0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.53 1xsj h LYS 403 CO 0.02 0.50 0.49 0.78 -0.57 0.00 0.00 179.45 180.66 1xsj h GLY 404 N 0.77 1.37 0.93 3.86 0.00 -0.76 -1.21 103.07 108.03 1xsj h GLY 404 Ca 0.52 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 1xsj h GLY 404 CO -0.35 0.08 -0.25 1.41 0.00 0.00 0.00 176.54 177.43 1xsj h LEU 405 N 0.77 0.69 -1.12 3.11 3.38 -0.91 -2.96 115.31 118.27 1xsj h LEU 405 Ca 0.43 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xsj h LEU 405 Cb 0.48 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1xsj h LEU 405 CO -0.29 1.01 0.49 0.58 0.09 0.00 0.00 178.44 180.32 1xsj h VAL 406 N 0.37 1.22 0.00 1.22 2.07 -1.00 -1.80 116.25 118.34 1xsj h VAL 406 Ca 0.04 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1xsj h VAL 406 Cb 0.82 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1xsj h VAL 406 CO 0.06 0.23 -0.05 0.00 0.02 0.00 0.00 177.57 177.84 1xsj h ALA 407 N 1.43 1.13 -0.00 1.67 0.00 -1.14 -0.31 119.26 122.03 1xsj h ALA 407 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xsj h ALA 407 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xsj h ALA 407 CO -0.05 0.06 -0.38 -0.12 0.00 0.00 0.00 179.25 178.75 1xsj n MET 408 N -3.33 0.18 0.00 0.00 0.00 -0.83 -4.93 117.12 108.21 1xsj n MET 408 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.59 1xsj n MET 408 Cb 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.92 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 1.46 1.09 3.74 -5.12 0.00 -0.13 -4.70 105.19 101.53 1xsj n GLY 409 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 3.45 -0.13 1.61 1.01 -0.74 -4.68 120.40 118.92 1xsj s VAL 410 Ca 0.00 1.26 0.18 0.00 0.00 0.00 0.00 61.98 63.42 1xsj s VAL 410 Cb 0.00 -3.80 -0.24 0.00 0.00 0.00 0.00 36.38 32.34 1xsj s VAL 410 CO 0.00 0.22 0.41 0.47 0.00 0.00 0.00 175.10 176.20 1xsj n ASP 411 N 2.26 0.29 -3.75 3.32 8.00 0.61 -4.28 116.55 122.99 1xsj n ASP 411 Ca 0.04 0.13 -0.08 0.00 0.71 0.00 0.00 54.79 55.59 1xsj n ASP 411 Cb 0.44 0.94 -0.02 0.00 -0.02 0.00 0.00 41.12 42.46 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 -3.87 1.74 -0.49 0.00 0.40 -1.25 -2.89 117.98 111.61 1xsj s PHE 413 Ca 0.09 -0.37 -0.17 0.00 -0.60 0.00 0.00 56.93 55.87 1xsj s PHE 413 Cb -0.05 -1.03 0.06 0.00 0.51 0.00 0.00 43.02 42.51 1xsj s PHE 413 CO 0.02 0.09 0.52 0.21 0.70 0.00 0.00 175.22 176.76 1xsj s LYS 414 N -1.20 3.06 -1.03 0.44 2.20 -0.56 -1.57 119.74 121.09 1xsj s LYS 414 Ca 0.07 -1.09 -0.17 0.00 -0.36 0.00 0.00 55.97 54.42 1xsj s LYS 414 Cb -0.09 -4.11 0.14 0.00 -1.51 0.00 0.00 37.83 32.27 1xsj s LYS 414 CO 0.02 -1.13 1.24 0.95 -0.36 0.00 0.00 175.35 176.06 1xsj s THR 415 N 2.19 4.83 0.52 3.43 -4.23 -0.50 -1.46 115.64 120.42 1xsj s THR 415 Ca 0.10 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 58.60 1xsj s THR 415 Cb -0.21 -4.83 -0.04 0.00 1.34 0.00 0.00 72.50 68.76 1xsj s THR 415 CO 0.10 -1.55 0.85 -0.62 -0.54 0.00 0.00 174.62 172.86 1xsj s ASP 416 N 3.36 6.25 0.86 3.99 -1.08 -0.90 -2.36 116.67 126.80 1xsj s ASP 416 Ca 0.36 1.06 0.00 0.00 -0.52 0.00 0.00 52.55 53.45 1xsj s ASP 416 Cb -0.04 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1xsj s ASP 416 CO -0.06 -0.65 0.00 0.49 0.52 0.00 0.00 175.17 175.46 1xsj n PHE 417 N -2.39 -0.22 -0.03 -5.34 3.01 -1.26 -4.36 117.46 106.87 1xsj n PHE 417 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1xsj n PHE 417 Cb 0.55 0.11 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 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 0.41 0.12 1.37 0.00 -1.26 -3.90 105.19 101.93 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 1.05 0.00 0.00 0.00 173.32 174.37 1xsj h GLU 419 N 4.65 0.16 -3.76 1.61 9.09 -1.90 -3.39 114.58 121.04 1xsj h GLU 419 Ca 0.00 -0.27 -0.73 0.00 0.05 0.00 0.00 59.36 58.40 1xsj h GLU 419 Cb 0.00 0.10 -0.10 0.00 -1.65 0.00 0.00 28.75 27.10 1xsj h GLU 419 CO 0.00 1.13 2.57 0.54 0.05 0.00 0.00 179.01 183.30 1xsj n ARG 420 N -3.98 3.25 -3.21 1.06 1.74 -1.26 -4.55 116.66 109.69 1xsj n ARG 420 Ca -0.29 -3.08 -0.40 0.00 -0.77 0.00 0.00 57.85 53.31 1xsj n ARG 420 Cb 0.86 -3.11 -0.07 0.00 -1.02 0.00 0.00 32.46 29.12 1xsj n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xsj s ILE 421 N 1.77 5.06 0.57 0.55 -1.09 -1.26 -5.06 121.20 121.75 1xsj s ILE 421 Ca 0.43 0.95 -0.19 0.00 -2.23 0.00 0.00 60.65 59.61 1xsj s ILE 421 Cb 0.12 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 37.10 1xsj s ILE 421 CO -0.04 0.10 1.17 -2.16 -1.23 0.00 0.00 174.94 172.78 1xsj s PRO 422 N 2.15 3.14 -0.01 2.79 0.04 -1.26 -4.81 135.00 137.04 1xsj s PRO 422 Ca 0.23 1.73 0.19 0.00 0.04 0.00 0.00 61.00 63.19 1xsj s PRO 422 Cb -0.16 -1.96 -0.24 0.00 0.04 0.00 0.00 34.50 32.18 1xsj s PRO 422 CO 0.09 -1.05 0.71 0.25 0.04 0.00 0.00 177.00 177.04 1xsj n THR 423 N -1.46 0.00 -1.48 1.26 -2.24 -1.26 -4.67 114.28 104.43 1xsj n THR 423 Ca 0.13 -0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 1xsj n THR 423 Cb 0.50 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.67 7.82 -3.84 3.42 3.85 -1.26 -4.82 116.55 120.05 1xsj n ASP 424 Ca 0.02 -2.78 -0.13 0.00 -0.71 0.00 0.00 54.79 51.18 1xsj n ASP 424 Cb 0.36 -1.45 -0.08 0.00 -1.35 0.00 0.00 41.12 38.61 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 0.62 0.00 -0.14 2.12 -7.23 -1.26 -4.58 120.40 109.93 1xsj s VAL 425 Ca 0.64 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1xsj s VAL 425 Cb 0.22 -2.46 0.04 0.00 0.56 0.00 0.00 36.38 34.74 1xsj s VAL 425 CO -0.08 0.00 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.12 1xsj s GLN 426 N -3.80 1.01 0.41 4.82 0.74 -0.16 -4.68 119.66 118.01 1xsj s GLN 426 Ca 0.34 -0.31 -0.23 0.00 0.05 0.00 0.00 55.36 55.22 1xsj s GLN 426 Cb 0.03 -1.73 -0.09 0.00 1.10 0.00 0.00 33.01 32.32 1xsj s GLN 426 CO 0.15 -0.44 1.01 -1.58 -0.55 0.00 0.00 175.29 173.89 1xsj s TRP 427 N 1.79 3.27 0.26 1.67 0.52 -1.26 -4.16 118.94 121.03 1xsj s TRP 427 Ca 0.02 1.64 -0.01 0.00 0.02 0.00 0.00 56.10 57.77 1xsj s TRP 427 Cb -0.15 -3.03 0.55 0.00 -1.15 0.00 0.00 33.47 29.69 1xsj s TRP 427 CO -0.07 -0.46 1.72 0.35 0.02 0.00 0.00 176.95 178.51 1xsj h PHE 428 N 2.27 0.56 -0.10 -1.98 3.57 -1.93 -0.16 116.94 119.17 1xsj h PHE 428 Ca -0.48 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1xsj h PHE 428 Cb 1.21 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1xsj h PHE 428 CO 0.59 0.03 0.00 -0.40 -2.23 0.00 0.00 178.31 176.30 1xsj n ASP 429 N -5.02 1.05 0.00 0.41 5.75 -1.26 -4.91 116.55 112.58 1xsj n ASP 429 Ca 0.17 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1xsj n ASP 429 Cb 0.50 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 1.00 0.40 3.31 6.12 0.00 -0.07 -5.00 105.19 110.96 1xsj n GLY 430 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.22 -2.85 -4.62 1.61 7.64 -1.26 -4.91 113.62 109.02 1xsj n SER 431 Ca 0.00 0.63 -0.43 0.00 1.01 0.00 0.00 58.87 60.08 1xsj n SER 431 Cb 0.11 -0.98 -0.03 0.00 -1.01 0.00 0.00 64.21 62.31 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 -1.11 6.27 0.57 6.43 -1.08 0.11 -4.65 116.67 123.21 1xsj s ASP 432 Ca 0.60 1.47 0.27 0.00 -0.52 0.00 0.00 52.55 54.36 1xsj s ASP 432 Cb -0.43 -2.53 1.62 0.00 -1.46 0.00 0.00 42.92 40.12 1xsj s ASP 432 CO 0.63 -1.38 2.15 -0.65 0.52 0.00 0.00 175.17 176.44 1xsj h PRO 433 N 11.20 0.00 0.00 4.34 0.11 -1.88 -0.68 132.00 145.08 1xsj h PRO 433 Ca -0.33 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 1xsj h PRO 433 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1xsj h PRO 433 CO 1.02 0.00 -0.41 1.96 -0.21 0.00 0.00 178.00 180.35 1xsj h GLN 434 N 0.00 0.00 0.00 1.05 1.08 -1.90 -2.79 115.11 112.56 1xsj h GLN 434 Ca 0.06 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.00 1xsj h GLN 434 Cb 0.31 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 1xsj h GLN 434 CO -0.00 0.41 -1.57 0.87 -0.95 0.00 0.00 178.83 177.59 1xsj h LYS 435 N 0.00 0.00 0.00 1.46 1.57 -1.45 -3.33 116.57 114.82 1xsj h LYS 435 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1xsj h LYS 435 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1xsj h LYS 435 CO 0.05 0.53 -0.16 0.52 -0.57 0.00 0.00 179.45 179.83 1xsj h MET 436 N 0.00 0.00 0.02 3.15 2.86 -1.25 -2.98 114.93 116.73 1xsj h MET 436 Ca -0.23 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1xsj h MET 436 Cb 1.93 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.54 1xsj h MET 436 CO 0.08 0.16 -0.32 1.25 1.06 0.00 0.00 176.91 179.14 1xsj h HIS 437 N 0.00 -0.87 0.19 -0.22 -0.00 -1.60 -0.63 115.15 112.01 1xsj h HIS 437 Ca -0.00 0.03 -0.32 0.00 -0.00 0.00 0.00 60.37 60.08 1xsj h HIS 437 Cb 0.58 0.38 0.03 0.00 -0.00 0.00 0.00 27.41 28.41 1xsj h HIS 437 CO 0.00 -0.41 -1.36 -0.91 -0.00 0.00 0.00 177.93 175.25 1xsj h ASN 438 N -0.48 0.85 1.30 3.26 2.35 -1.77 -3.36 115.58 117.72 1xsj h ASN 438 Ca 0.06 -0.84 -0.03 0.00 -0.55 0.00 0.00 56.30 54.93 1xsj h ASN 438 Cb 0.56 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1xsj h ASN 438 CO -0.25 1.65 -0.15 -0.74 -1.65 0.00 0.00 177.43 176.28 1xsj h HIS 439 N 0.21 0.00 -0.93 1.19 2.76 -1.42 -2.88 115.15 114.08 1xsj h HIS 439 Ca -0.22 0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.20 1xsj h HIS 439 Cb 2.04 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 30.87 1xsj h HIS 439 CO 0.12 0.15 0.43 -0.92 -1.30 0.00 0.00 177.93 176.41 1xsj h TYR 440 N 0.00 0.71 -0.69 5.26 3.20 -1.26 -0.73 116.97 123.47 1xsj h TYR 440 Ca -0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1xsj h TYR 440 Cb 0.84 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1xsj h TYR 440 CO 0.00 -0.08 0.37 0.00 -1.64 0.00 0.00 178.16 176.81 1xsj h ALA 441 N 1.75 1.36 0.02 1.82 0.00 -1.70 0.62 119.26 123.13 1xsj h ALA 441 Ca 0.61 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1xsj h ALA 441 Cb 1.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xsj h ALA 441 CO -0.56 0.52 -0.01 -0.92 0.00 0.00 0.00 179.25 178.29 1xsj h TYR 442 N 0.96 -0.03 -0.73 0.00 3.20 -1.32 -2.30 116.97 116.75 1xsj h TYR 442 Ca 0.24 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1xsj h TYR 442 Cb 0.04 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1xsj h TYR 442 CO 0.01 0.32 0.26 0.82 -1.64 0.00 0.00 178.16 177.93 1xsj h ILE 443 N -0.38 1.25 0.85 1.81 1.08 -0.94 0.50 117.51 121.69 1xsj h ILE 443 Ca -0.00 -0.84 -0.04 0.00 -0.39 0.00 0.00 64.86 63.59 1xsj h ILE 443 Cb 0.36 0.43 0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1xsj h ILE 443 CO 0.00 0.33 -0.43 0.22 -0.69 0.00 0.00 178.15 177.59 1xsj h TYR 444 N 1.05 -1.11 -0.94 1.37 -0.00 -0.97 -1.94 116.97 114.43 1xsj h TYR 444 Ca 0.24 -0.02 0.15 0.00 -0.00 0.00 0.00 58.73 59.09 1xsj h TYR 444 Cb 0.25 0.37 -0.09 0.00 -0.00 0.00 0.00 36.73 37.26 1xsj h TYR 444 CO 0.02 -0.68 0.55 -0.91 -0.00 0.00 0.00 178.16 177.14 1xsj h ASN 445 N -1.17 0.74 -0.34 -2.11 2.35 -1.39 -2.57 115.58 111.09 1xsj h ASN 445 Ca -0.12 0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1xsj h ASN 445 Cb 0.90 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.17 1xsj h ASN 445 CO 0.18 0.33 0.13 -0.08 -1.65 0.00 0.00 177.43 176.35 1xsj h GLU 446 N 0.79 0.28 -0.41 0.81 4.81 -0.83 -1.60 114.58 118.43 1xsj h GLU 446 Ca 0.50 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.73 1xsj h GLU 446 Cb 0.65 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1xsj h GLU 446 CO -0.33 0.18 0.25 1.25 -0.73 0.00 0.00 179.01 179.63 1xsj h LEU 447 N 0.28 0.40 -0.32 1.64 6.46 -0.97 -1.36 115.31 121.45 1xsj h LEU 447 Ca 0.15 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1xsj h LEU 447 Cb 0.11 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1xsj h LEU 447 CO -0.15 0.29 -0.11 0.58 -0.62 0.00 0.00 178.44 178.44 1xsj h VAL 448 N 0.50 1.28 -0.54 1.05 2.07 -1.23 -2.12 116.25 117.26 1xsj h VAL 448 Ca 0.16 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.55 1xsj h VAL 448 Cb -0.00 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1xsj h VAL 448 CO -0.07 0.38 0.29 -0.25 0.02 0.00 0.00 177.57 177.94 1xsj h TRP 449 N 0.41 0.52 -0.17 1.57 2.91 -1.14 -1.65 115.95 118.40 1xsj h TRP 449 Ca 0.08 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.06 1xsj h TRP 449 Cb 0.62 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.10 1xsj h TRP 449 CO 0.05 0.26 -0.16 -0.91 -1.03 0.00 0.00 178.44 176.65 1xsj h ASN 450 N 0.55 0.28 -0.25 2.65 2.35 -1.03 0.57 115.58 120.70 1xsj h ASN 450 Ca 0.24 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1xsj h ASN 450 Cb 0.13 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1xsj h ASN 450 CO -0.16 0.46 0.13 0.58 -1.65 0.00 0.00 177.43 176.79 1xsj h VAL 451 N 0.27 1.13 -0.38 2.81 2.07 -0.75 -1.12 116.25 120.28 1xsj h VAL 451 Ca 0.05 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1xsj h VAL 451 Cb 0.45 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1xsj h VAL 451 CO 0.03 0.13 0.24 -0.07 0.02 0.00 0.00 177.57 177.91 1xsj h LEU 452 N 0.28 0.45 -0.54 2.57 4.07 -0.80 -1.58 115.31 119.77 1xsj h LEU 452 Ca 0.09 -0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.09 1xsj h LEU 452 Cb 0.08 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.65 1xsj h LEU 452 CO -0.01 0.36 0.19 0.50 -1.08 0.00 0.00 178.44 178.39 1xsj h LYS 453 N 0.50 0.36 0.00 1.13 3.64 -0.63 0.26 116.57 121.83 1xsj h LYS 453 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1xsj h LYS 453 Cb -0.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1xsj h LYS 453 CO -0.03 0.24 0.00 -0.25 -2.27 0.00 0.00 179.45 177.14 1xsj n ASP 454 N -5.01 0.13 -0.02 4.20 8.00 -0.45 -2.85 116.55 120.55 1xsj n ASP 454 Ca 0.07 0.52 -0.06 0.00 0.71 0.00 0.00 54.79 56.03 1xsj n ASP 454 Cb 0.23 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.63 1.21 0.60 -3.53 -2.24 -0.52 -4.81 114.28 103.35 1xsj n THR 455 Ca 0.05 0.20 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 1xsj n THR 455 Cb 0.29 -1.86 -0.02 0.00 -2.10 0.00 0.00 70.33 66.64 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 -3.83 0.11 0.00 2.28 0.24 -0.03 -5.08 118.33 112.02 1xsj n VAL 456 Ca -0.10 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1xsj n VAL 456 Cb 0.32 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 1.38 2.18 0.33 7.63 0.00 -0.90 -4.46 105.19 111.34 1xsj n GLY 457 Ca 0.02 -1.70 0.02 0.00 0.00 0.00 0.00 46.02 44.36 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 0.79 0.00 1.61 4.81 -1.82 0.86 114.58 120.83 1xsj h GLU 458 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1xsj h GLU 458 Cb 0.00 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1xsj h GLU 458 CO 0.00 0.54 0.00 1.05 -0.73 0.00 0.00 179.01 179.87 1xsj h GLU 459 N 0.81 0.00 -0.02 1.92 9.09 -1.91 -2.68 114.58 121.79 1xsj h GLU 459 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1xsj h GLU 459 Cb -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 1xsj h GLU 459 CO -0.04 0.00 -0.16 0.39 0.05 0.00 0.00 179.01 179.25 1xsj n GLU 460 N -2.48 1.62 -2.28 1.06 -0.58 0.25 -3.75 120.64 114.49 1xsj n GLU 460 Ca 0.02 -1.34 -0.42 0.00 -0.42 0.00 0.00 57.16 55.00 1xsj n GLU 460 Cb 0.25 -1.36 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 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 -1.81 3.51 -0.11 0.62 0.00 -0.93 -4.84 121.76 118.19 1xsj s ALA 461 Ca 0.20 0.99 -0.27 0.00 0.00 0.00 0.00 51.96 52.88 1xsj s ALA 461 Cb 0.16 -3.50 0.06 0.00 0.00 0.00 0.00 23.12 19.84 1xsj s ALA 461 CO 0.33 -0.55 0.64 0.54 0.00 0.00 0.00 175.76 176.72 1xsj s VAL 462 N 1.15 0.01 0.36 0.00 0.11 -1.26 -4.47 120.40 116.30 1xsj s VAL 462 Ca 0.62 -0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.67 1xsj s VAL 462 Cb -0.33 -0.94 -0.06 0.00 -1.53 0.00 0.00 36.38 33.51 1xsj s VAL 462 CO 0.30 -0.02 0.05 -0.76 -3.33 0.00 0.00 175.10 171.33 1xsj s LEU 463 N -0.69 2.32 -0.35 2.54 1.43 -0.65 -3.89 118.68 119.38 1xsj s LEU 463 Ca -0.08 -1.42 0.02 0.00 -1.03 0.00 0.00 54.13 51.61 1xsj s LEU 463 Cb -0.02 -0.49 0.11 0.00 0.03 0.00 0.00 46.19 45.82 1xsj s LEU 463 CO 0.06 -0.62 0.11 0.12 0.23 0.00 0.00 176.35 176.25 1xsj s PHE 464 N -3.14 2.53 -0.14 0.29 5.36 -0.61 -3.95 117.98 118.33 1xsj s PHE 464 Ca 0.33 -2.35 -0.05 0.00 -0.96 0.00 0.00 56.93 53.91 1xsj s PHE 464 Cb 0.08 -2.21 -0.04 0.00 -0.34 0.00 0.00 43.02 40.51 1xsj s PHE 464 CO 0.15 -0.88 0.03 0.00 -1.46 0.00 0.00 175.22 173.06 1xsj s ALA 465 N 1.09 3.32 -0.12 11.12 0.00 0.12 -1.41 121.76 135.88 1xsj s ALA 465 Ca 0.12 -0.77 0.15 0.00 0.00 0.00 0.00 51.96 51.45 1xsj s ALA 465 Cb -0.19 -1.70 -0.24 0.00 0.00 0.00 0.00 23.12 20.98 1xsj s ALA 465 CO -0.14 0.36 0.39 -2.13 0.00 0.00 0.00 175.76 174.23 1xsj n ARG 466 N 2.94 0.66 -4.35 0.00 0.63 -0.99 -2.01 116.66 113.54 1xsj n ARG 466 Ca -0.18 0.16 -0.23 0.00 -0.92 0.00 0.00 57.85 56.68 1xsj n ARG 466 Cb 0.53 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.69 1xsj n ARG 466 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1xsj s SER 467 N -5.84 4.25 0.24 6.15 0.15 -1.25 -4.51 113.70 112.88 1xsj s SER 467 Ca -0.08 -0.77 -0.21 0.00 0.70 0.00 0.00 55.95 55.59 1xsj s SER 467 Cb 0.07 -0.67 0.04 0.00 -1.71 0.00 0.00 66.02 63.75 1xsj s SER 467 CO 0.82 0.01 0.67 0.00 1.20 0.00 0.00 173.24 175.94 1xsj s ALA 468 N -2.39 -1.31 0.21 5.45 0.00 -1.23 -4.91 121.76 117.59 1xsj s ALA 468 Ca 0.31 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1xsj s ALA 468 Cb -0.06 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.95 1xsj s ALA 468 CO 0.18 -0.94 0.56 0.45 0.00 0.00 0.00 175.76 176.01 1xsj s SER 469 N -2.87 -0.26 0.04 0.00 0.15 -1.26 -3.84 113.70 105.67 1xsj s SER 469 Ca 0.08 -0.53 -0.38 0.00 0.70 0.00 0.00 55.95 55.82 1xsj s SER 469 Cb -0.04 0.61 -0.18 0.00 -1.71 0.00 0.00 66.02 64.70 1xsj s SER 469 CO 0.00 -1.11 1.28 0.52 1.20 0.00 0.00 173.24 175.13 1xsj n VAL 470 N -0.37 0.01 0.00 4.45 0.31 -1.26 -0.66 118.33 120.80 1xsj n VAL 470 Ca -0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1xsj n VAL 470 Cb 0.62 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 2.29 3.02 0.19 2.92 0.00 -1.26 -4.61 105.19 107.74 1xsj n GLY 471 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1xsj n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsj h ALA 472 N 0.00 1.00 0.00 4.61 0.00 -1.21 -2.27 119.26 121.38 1xsj h ALA 472 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsj h ALA 472 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xsj h ALA 472 CO 0.00 0.00 0.02 -0.56 0.00 0.00 0.00 179.25 178.71 1xsj h GLN 473 N 0.00 0.00 0.00 0.00 -0.00 -1.89 0.47 115.11 113.70 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 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.61 1xsj h GLN 473 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 178.83 179.70 1xsj h LYS 474 N 0.00 0.00 -2.27 0.06 1.57 -1.55 -3.33 116.57 111.05 1xsj h LYS 474 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1xsj h LYS 474 Cb 0.03 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.93 1xsj h LYS 474 CO 0.00 0.00 -0.48 1.19 -0.57 0.00 0.00 179.45 179.59 1xsj n PHE 475 N -2.84 3.78 -1.11 -1.35 3.72 0.16 -3.76 117.46 116.06 1xsj n PHE 475 Ca -0.02 -3.93 -0.30 0.00 -0.05 0.00 0.00 57.45 53.15 1xsj n PHE 475 Cb 0.10 -0.58 0.22 0.00 -0.94 0.00 0.00 39.48 38.28 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 -3.13 -0.82 -0.02 -1.08 0.04 -1.25 -4.68 135.00 124.06 1xsj s PRO 476 Ca 0.44 0.07 -0.02 0.00 0.04 0.00 0.00 61.00 61.54 1xsj s PRO 476 Cb 0.22 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 33.13 1xsj s PRO 476 CO -0.08 -3.47 0.03 0.28 0.04 0.00 0.00 177.00 173.80 1xsj n VAL 477 N -4.62 -7.48 -5.27 -0.36 0.31 -1.25 -1.63 118.33 98.02 1xsj n VAL 477 Ca 0.11 1.44 -0.31 0.00 -0.01 0.00 0.00 64.34 65.57 1xsj n VAL 477 Cb 0.59 -4.60 -0.16 0.00 -0.91 0.00 0.00 33.84 28.75 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 -0.29 2.38 0.23 3.52 3.76 -1.21 0.13 115.29 123.82 1xsj s HIS 478 Ca -0.04 -0.62 0.11 0.00 -0.15 0.00 0.00 55.06 54.36 1xsj s HIS 478 Cb 0.00 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 32.09 1xsj s HIS 478 CO 0.11 -0.15 -0.21 1.67 -0.85 0.00 0.00 174.74 175.30 1xsj s TRP 479 N -0.32 2.21 -1.32 1.40 -2.14 -0.85 -0.67 118.94 117.26 1xsj s TRP 479 Ca 0.01 -0.37 0.05 0.00 2.66 0.00 0.00 56.10 58.46 1xsj s TRP 479 Cb -0.12 -1.02 0.23 0.00 -3.10 0.00 0.00 33.47 29.45 1xsj s TRP 479 CO 0.02 0.58 1.00 0.41 -2.66 0.00 0.00 176.95 176.30 1xsj n GLY 480 N -0.19 1.11 7.00 3.67 0.00 -0.65 -4.68 105.19 111.45 1xsj n GLY 480 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.48 -0.25 3.44 -0.02 0.00 -1.26 -4.65 105.19 102.94 1xsj n GLY 481 Ca 0.08 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 1xsj n GLY 481 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsj s ASP 482 N -4.00 7.03 0.91 1.61 1.01 -1.26 -4.65 116.67 117.32 1xsj s ASP 482 Ca 0.00 -2.93 -0.12 0.00 0.71 0.00 0.00 52.55 50.21 1xsj s ASP 482 Cb 0.00 -2.37 0.19 0.00 1.01 0.00 0.00 42.92 41.74 1xsj s ASP 482 CO 0.00 -0.73 1.25 0.00 0.21 0.00 0.00 175.17 175.90 1xsj s TYR 484 N -3.73 2.68 -1.60 0.00 2.02 -1.26 -1.08 117.35 114.38 1xsj s TYR 484 Ca 0.73 -0.20 -0.10 0.00 -0.37 0.00 0.00 57.07 57.13 1xsj s TYR 484 Cb -0.04 -1.32 -0.07 0.00 -0.40 0.00 0.00 41.96 40.13 1xsj s TYR 484 CO 0.51 0.50 2.89 0.00 -1.57 0.00 0.00 175.55 177.88 1xsj n ALA 485 N 0.13 7.43 -2.70 3.71 0.00 -0.32 -4.42 120.51 124.33 1xsj n ALA 485 Ca -0.11 -3.59 -0.10 0.00 0.00 0.00 0.00 53.44 49.64 1xsj n ALA 485 Cb 0.55 -3.35 -0.07 0.00 0.00 0.00 0.00 19.45 16.58 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 2.10 0.04 0.15 0.00 2.20 -1.26 -4.44 114.94 113.73 1xsj s ASN 486 Ca 0.68 -1.06 -0.15 0.00 -0.94 0.00 0.00 52.86 51.38 1xsj s ASN 486 Cb 0.18 0.47 0.02 0.00 -2.00 0.00 0.00 41.25 39.92 1xsj s ASN 486 CO -0.06 -0.96 1.73 1.88 -2.94 0.00 0.00 177.10 176.75 1xsj h TYR 487 N 2.48 0.66 -0.93 1.54 0.05 -1.91 -1.54 116.97 117.31 1xsj h TYR 487 Ca -0.31 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.52 1xsj h TYR 487 Cb 1.24 -0.20 -0.07 0.00 1.01 0.00 0.00 36.73 38.71 1xsj h TYR 487 CO 0.39 0.53 0.58 0.93 -1.05 0.00 0.00 178.16 179.53 1xsj h GLU 488 N 0.60 0.99 0.00 4.88 3.07 -1.95 0.40 114.58 122.58 1xsj h GLU 488 Ca 0.16 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.79 1xsj h GLU 488 Cb 0.11 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 1xsj h GLU 488 CO -0.02 0.66 -0.78 1.03 -1.40 0.00 0.00 179.01 178.49 1xsj h SER 489 N 1.02 0.00 -0.75 1.42 0.87 -1.77 -2.00 113.55 112.35 1xsj h SER 489 Ca 0.42 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1xsj h SER 489 Cb 0.25 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 1xsj h SER 489 CO -0.20 0.78 0.45 -0.03 -0.53 0.00 0.00 176.83 177.31 1xsj h MET 490 N 0.00 1.01 -0.54 2.24 -1.53 -0.80 -0.65 114.93 114.66 1xsj h MET 490 Ca -0.01 -0.09 -0.06 0.00 -3.44 0.00 0.00 59.70 56.10 1xsj h MET 490 Cb 1.52 -0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 32.33 1xsj h MET 490 CO 0.10 0.71 0.11 0.00 0.14 0.00 0.00 176.91 177.98 1xsj h ALA 491 N 1.24 0.71 -0.21 0.39 0.00 -0.70 -2.32 119.26 118.37 1xsj h ALA 491 Ca 0.27 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1xsj h ALA 491 Cb -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xsj h ALA 491 CO -0.05 0.43 -0.54 1.05 0.00 0.00 0.00 179.25 180.14 1xsj h GLU 492 N 0.77 0.63 -0.27 0.00 4.11 -1.21 -1.57 114.58 117.04 1xsj h GLU 492 Ca 0.17 -0.40 0.04 0.00 0.07 0.00 0.00 59.36 59.24 1xsj h GLU 492 Cb 0.37 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1xsj h GLU 492 CO 0.01 1.01 0.02 0.77 0.07 0.00 0.00 179.01 180.89 1xsj h SER 493 N 0.49 -0.06 -0.67 3.06 0.02 -1.12 -1.72 113.55 113.54 1xsj h SER 493 Ca 0.01 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1xsj h SER 493 Cb 1.10 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 1xsj h SER 493 CO 0.11 0.00 0.43 0.25 -1.14 0.00 0.00 176.83 176.48 1xsj h LEU 494 N 0.11 0.73 -0.65 5.07 5.85 -1.08 -0.06 115.31 125.28 1xsj h LEU 494 Ca 0.13 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1xsj h LEU 494 Cb 0.16 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 1xsj h LEU 494 CO -0.20 0.52 0.23 0.03 -0.34 0.00 0.00 178.44 178.68 1xsj h ARG 495 N 0.87 0.38 -0.25 1.25 3.08 -0.93 0.19 114.38 118.97 1xsj h ARG 495 Ca 0.26 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 1xsj h ARG 495 Cb -0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1xsj h ARG 495 CO -0.08 0.25 0.14 0.78 -1.07 0.00 0.00 179.97 180.00 1xsj h GLY 496 N 0.40 0.38 0.60 0.04 0.00 -0.40 -0.69 103.07 103.38 1xsj h GLY 496 Ca 0.34 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.55 1xsj h GLY 496 CO -0.35 0.16 0.02 -1.33 0.00 0.00 0.00 176.54 175.04 1xsj h GLY 497 N 0.30 0.30 1.00 4.60 0.00 -0.68 0.29 103.07 108.88 1xsj h GLY 497 Ca 0.09 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.44 1xsj h GLY 497 CO -0.01 -0.04 0.30 1.41 0.00 0.00 0.00 176.54 178.19 1xsj h LEU 498 N 0.12 0.51 -0.54 3.11 3.38 -0.87 -2.88 115.31 118.14 1xsj h LEU 498 Ca 0.14 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1xsj h LEU 498 Cb 0.17 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1xsj h LEU 498 CO -0.21 0.37 0.33 0.28 0.09 0.00 0.00 178.44 179.30 1xsj h SER 499 N 0.61 0.53 -0.25 -0.43 0.02 -0.68 -1.85 113.55 111.49 1xsj h SER 499 Ca 0.17 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1xsj h SER 499 Cb -0.07 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1xsj h SER 499 CO -0.04 0.37 0.03 -0.29 -1.14 0.00 0.00 176.83 175.77 1xsj h ILE 500 N 0.65 1.19 -0.11 3.27 2.10 -0.79 -2.20 117.51 121.62 1xsj h ILE 500 Ca 0.22 -0.71 -0.16 0.00 1.08 0.00 0.00 64.86 65.29 1xsj h ILE 500 Cb 0.02 0.89 -0.01 0.00 -1.09 0.00 0.00 36.82 36.63 1xsj h ILE 500 CO -0.09 0.25 -0.63 1.23 -1.08 0.00 0.00 178.15 177.82 1xsj h GLY 501 N 0.80 0.44 1.26 8.18 0.00 -1.25 -1.14 103.07 111.36 1xsj h GLY 501 Ca 0.11 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1xsj h GLY 501 CO 0.00 0.50 0.00 1.04 0.00 0.00 0.00 176.54 178.08 1xsj n LEU 502 N -3.89 0.00 -0.13 3.11 4.77 -0.73 -3.11 117.00 117.02 1xsj n LEU 502 Ca -0.03 0.13 0.04 0.00 -0.03 0.00 0.00 56.01 56.12 1xsj n LEU 502 Cb 0.64 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.67 1xsj n LEU 502 CO 0.47 -0.07 0.54 -1.20 -1.33 0.00 0.00 177.39 175.80 1xsj n SER 503 N -1.13 2.28 0.00 -1.43 7.64 -0.51 -4.56 113.62 115.91 1xsj n SER 503 Ca 0.10 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.62 1xsj n SER 503 Cb 0.09 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.67 0.60 3.68 0.23 0.00 -1.06 -4.92 105.19 103.05 1xsj n GLY 504 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 3.35 -0.29 1.61 0.08 -0.73 -4.70 117.98 115.29 1xsj s PHE 505 Ca 0.00 0.24 0.21 0.00 0.12 0.00 0.00 56.93 57.51 1xsj s PHE 505 Cb 0.00 -2.20 0.12 0.00 -0.57 0.00 0.00 43.02 40.37 1xsj s PHE 505 CO 0.00 0.16 1.28 0.78 -0.10 0.00 0.00 175.22 177.34 1xsj h GLY 506 N 7.08 0.00 -5.54 4.36 0.00 -1.87 -3.32 103.07 103.77 1xsj h GLY 506 Ca -0.39 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.70 1xsj h GLY 506 CO 0.70 0.00 -0.72 -1.36 0.00 0.00 0.00 176.54 175.16 1xsj s PHE 507 N -3.22 0.04 -0.27 5.60 0.08 -1.26 -2.22 117.98 116.72 1xsj s PHE 507 Ca 0.03 -0.01 -0.21 0.00 0.12 0.00 0.00 56.93 56.86 1xsj s PHE 507 Cb 0.08 -0.03 0.08 0.00 -0.57 0.00 0.00 43.02 42.58 1xsj s PHE 507 CO 0.74 -0.00 0.72 -0.46 -0.10 0.00 0.00 175.22 176.12 1xsj s TRP 508 N -0.00 -0.89 0.36 0.36 -0.00 -1.26 -3.33 118.94 114.19 1xsj s TRP 508 Ca 0.00 1.98 0.04 0.00 -0.00 0.00 0.00 56.10 58.12 1xsj s TRP 508 Cb -0.00 0.42 -0.06 0.00 -0.00 0.00 0.00 33.47 33.83 1xsj s TRP 508 CO -0.00 -0.43 0.06 0.45 -0.00 0.00 0.00 176.95 177.02 1xsj s SER 509 N 0.88 2.80 0.14 5.86 0.15 0.16 -3.32 113.70 120.38 1xsj s SER 509 Ca -0.04 -1.44 -0.19 0.00 0.70 0.00 0.00 55.95 54.98 1xsj s SER 509 Cb -0.05 -0.01 0.05 0.00 -1.71 0.00 0.00 66.02 64.30 1xsj s SER 509 CO -0.08 -0.65 0.49 -1.38 1.20 0.00 0.00 173.24 172.83 1xsj s HIS 510 N -3.16 -0.35 -0.54 3.44 -3.43 -1.26 -1.63 115.29 108.36 1xsj s HIS 510 Ca 0.32 0.08 -0.29 0.00 -0.80 0.00 0.00 55.06 54.38 1xsj s HIS 510 Cb 0.08 0.40 0.03 0.00 -1.43 0.00 0.00 32.58 31.65 1xsj s HIS 510 CO 0.15 -0.77 1.17 -0.51 -2.00 0.00 0.00 174.74 172.78 1xsj s ASP 511 N -2.78 6.52 0.15 7.38 -0.00 -1.26 -4.25 116.67 122.43 1xsj s ASP 511 Ca 0.02 0.26 -0.31 0.00 -0.00 0.00 0.00 52.55 52.52 1xsj s ASP 511 Cb 0.01 -2.55 -0.11 0.00 -0.00 0.00 0.00 42.92 40.27 1xsj s ASP 511 CO -0.12 -1.39 1.76 -0.63 -0.00 0.00 0.00 175.17 174.79 1xsj s ILE 512 N 4.77 2.41 0.00 0.77 1.01 -0.27 -0.86 121.20 129.04 1xsj s ILE 512 Ca 0.45 0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1xsj s ILE 512 Cb -0.07 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1xsj s ILE 512 CO 0.28 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1xsj n GLY 513 N 4.10 0.80 0.00 6.18 0.00 -1.26 -4.16 105.19 110.85 1xsj n GLY 513 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.85 0.06 -0.02 0.00 -0.04 -4.28 105.19 96.06 1xsj n GLY 514 Ca 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.37 1.61 3.04 -1.69 -3.43 116.94 113.10 1xsj h PHE 515 Ca 0.00 0.00 -0.55 0.00 3.98 0.00 0.00 57.97 61.40 1xsj h PHE 515 Cb 0.00 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.47 1xsj h PHE 515 CO 0.00 0.22 0.08 -2.00 -2.02 0.00 0.00 178.31 174.59 1xsj s GLU 516 N -1.81 4.41 0.09 1.11 2.56 -0.24 -0.47 118.70 124.35 1xsj s GLU 516 Ca -0.07 0.92 0.00 0.00 0.00 0.00 0.00 54.97 55.82 1xsj s GLU 516 Cb 0.00 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.80 1xsj s GLU 516 CO 0.17 0.38 0.00 0.09 -0.56 0.00 0.00 175.26 175.34 1xsj n ASN 517 N 2.54 -1.91 -4.38 -1.70 5.03 -1.26 -1.18 115.26 112.39 1xsj n ASN 517 Ca -0.05 0.18 -0.34 0.00 0.87 0.00 0.00 54.58 55.24 1xsj n ASN 517 Cb 0.50 -1.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.12 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 -1.82 3.41 0.41 3.41 2.01 -1.26 -4.65 115.64 117.15 1xsj s THR 518 Ca 0.00 -0.51 -0.25 0.00 0.31 0.00 0.00 61.69 61.24 1xsj s THR 518 Cb 0.00 -2.50 -0.08 0.00 0.01 0.00 0.00 72.50 69.93 1xsj s THR 518 CO 0.00 0.48 1.14 0.00 -0.69 0.00 0.00 174.62 175.54 1xsj s ALA 519 N 0.78 3.10 0.47 7.40 0.00 -1.26 -4.97 121.76 127.29 1xsj s ALA 519 Ca -0.03 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 1xsj s ALA 519 Cb -0.15 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 1xsj s ALA 519 CO 0.02 -0.47 1.40 -2.14 0.00 0.00 0.00 175.76 174.56 1xsj s PRO 520 N -2.41 3.55 0.33 0.00 0.02 -1.26 -4.79 135.00 130.44 1xsj s PRO 520 Ca 0.58 2.35 0.10 0.00 0.02 0.00 0.00 61.00 64.06 1xsj s PRO 520 Cb -0.28 -2.55 1.02 0.00 0.02 0.00 0.00 34.50 32.70 1xsj s PRO 520 CO 0.35 -0.90 1.56 0.00 -0.33 0.00 0.00 177.00 177.68 1xsj n ALA 521 N -0.40 0.73 -0.10 -1.55 0.00 -1.26 -1.23 120.51 116.69 1xsj n ALA 521 Ca 0.06 1.04 -0.06 0.00 0.00 0.00 0.00 53.44 54.49 1xsj n ALA 521 Cb 0.43 -0.88 0.12 0.00 0.00 0.00 0.00 19.45 19.12 1xsj n ALA 521 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xsj h HIS 522 N 0.00 0.87 -0.02 0.00 2.07 -1.98 -0.57 115.15 115.53 1xsj h HIS 522 Ca 0.71 -0.15 -0.00 0.00 -2.85 0.00 0.00 60.37 58.07 1xsj h HIS 522 Cb 1.68 -0.23 -0.00 0.00 2.57 0.00 0.00 27.41 31.43 1xsj h HIS 522 CO -0.29 0.85 0.00 0.28 -3.07 0.00 0.00 177.93 175.70 1xsj h VAL 523 N 0.72 1.22 -0.52 6.12 2.07 -1.54 -1.75 116.25 122.58 1xsj h VAL 523 Ca 0.13 -0.66 0.10 0.00 0.82 0.00 0.00 66.70 67.09 1xsj h VAL 523 Cb 0.57 1.63 -0.10 0.00 -1.52 0.00 0.00 31.29 31.87 1xsj h VAL 523 CO 0.04 0.17 -0.16 0.22 0.02 0.00 0.00 177.57 177.86 1xsj h TYR 524 N -0.24 -0.36 -0.40 1.57 3.20 -1.26 -1.43 116.97 118.05 1xsj h TYR 524 Ca 0.01 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1xsj h TYR 524 Cb 0.28 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1xsj h TYR 524 CO 0.02 -0.25 0.15 0.87 -1.64 0.00 0.00 178.16 177.30 1xsj h LYS 525 N -0.03 0.61 -0.94 1.82 1.57 -0.98 -1.24 116.57 117.37 1xsj h LYS 525 Ca 0.25 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1xsj h LYS 525 Cb 0.42 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1xsj h LYS 525 CO -0.56 0.59 0.62 0.00 -0.57 0.00 0.00 179.45 179.53 1xsj h ARG 526 N 0.50 1.23 -0.07 3.15 2.47 -1.01 -2.54 114.38 118.11 1xsj h ARG 526 Ca 0.13 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.71 1xsj h ARG 526 Cb 0.22 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1xsj h ARG 526 CO -0.01 0.82 -0.25 2.35 0.56 0.00 0.00 179.97 183.43 1xsj h TRP 527 N 1.27 0.13 -0.51 3.04 2.91 -1.10 -2.79 115.95 118.90 1xsj h TRP 527 Ca 0.35 -0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.27 1xsj h TRP 527 Cb -0.13 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.46 1xsj h TRP 527 CO -0.01 0.37 -0.00 0.00 -1.03 0.00 0.00 178.44 177.77 1xsj h ALA 529 N 0.94 0.66 -0.20 0.00 0.00 -1.42 -1.75 119.26 117.49 1xsj h ALA 529 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xsj h ALA 529 Cb 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xsj h ALA 529 CO 0.03 0.19 0.01 0.35 0.00 0.00 0.00 179.25 179.83 1xsj h PHE 530 N 0.69 0.37 -0.09 0.00 3.57 -1.28 -2.71 116.94 117.50 1xsj h PHE 530 Ca 0.18 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1xsj h PHE 530 Cb 0.06 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1xsj h PHE 530 CO -0.01 0.52 -0.38 0.78 -2.23 0.00 0.00 178.31 176.99 1xsj h GLY 531 N 0.12 0.20 1.58 2.40 0.00 -0.63 -2.10 103.07 104.63 1xsj h GLY 531 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1xsj h GLY 531 CO 0.01 0.16 -0.10 1.04 0.00 0.00 0.00 176.54 177.64 1xsj n LEU 532 N -4.06 0.16 -1.40 3.11 7.99 -0.67 -2.86 117.00 119.28 1xsj n LEU 532 Ca -0.01 0.30 -0.08 0.00 -0.01 0.00 0.00 56.01 56.20 1xsj n LEU 532 Cb 0.44 -0.37 0.20 0.00 -0.11 0.00 0.00 43.42 43.58 1xsj n LEU 532 CO 0.41 0.04 0.82 0.18 -1.51 0.00 0.00 177.39 177.32 1xsj n LEU 533 N -1.38 4.71 -4.67 2.23 4.77 -0.82 -4.72 117.00 117.12 1xsj n LEU 533 Ca 0.09 -3.72 -0.24 0.00 -0.03 0.00 0.00 56.01 52.11 1xsj n LEU 533 Cb 0.31 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 1xsj n LEU 533 CO 0.27 1.20 -0.28 -0.44 -1.33 0.00 0.00 177.39 176.82 1xsj s SER 534 N -2.25 4.44 0.18 -1.43 0.01 -1.04 -4.97 113.70 108.64 1xsj s SER 534 Ca 0.47 -0.82 -0.13 0.00 1.31 0.00 0.00 55.95 56.78 1xsj s SER 534 Cb 0.42 -0.68 0.13 0.00 0.21 0.00 0.00 66.02 66.10 1xsj s SER 534 CO 0.02 -0.18 1.78 0.77 0.41 0.00 0.00 173.24 176.04 1xsj h SER 535 N 1.75 0.35 -4.23 2.44 4.64 -1.87 -3.42 113.55 113.22 1xsj h SER 535 Ca -0.43 0.03 -0.61 0.00 -0.47 0.00 0.00 61.79 60.31 1xsj h SER 535 Cb 1.25 -0.04 -0.30 0.00 -0.31 0.00 0.00 62.40 63.00 1xsj h SER 535 CO 0.64 0.24 -0.86 -1.00 -0.87 0.00 0.00 176.83 174.98 1xsj s HIS 536 N -6.13 1.92 -0.22 4.77 3.76 -1.21 -4.74 115.29 113.44 1xsj s HIS 536 Ca -0.13 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 1xsj s HIS 536 Cb 0.14 -1.26 0.05 0.00 1.11 0.00 0.00 32.58 32.62 1xsj s HIS 536 CO 0.73 -0.10 -0.07 -1.12 -0.85 0.00 0.00 174.74 173.34 1xsj s SER 537 N -0.30 3.68 -0.04 1.40 0.01 -1.26 -4.25 113.70 112.94 1xsj s SER 537 Ca 0.03 -1.07 0.01 0.00 1.31 0.00 0.00 55.95 56.23 1xsj s SER 537 Cb -0.10 -1.19 0.02 0.00 0.21 0.00 0.00 66.02 64.96 1xsj s SER 537 CO 0.01 -0.21 -0.04 -0.60 0.41 0.00 0.00 173.24 172.81 1xsj s ARG 538 N 1.40 0.75 -0.40 12.44 3.52 -1.26 -1.24 118.95 134.16 1xsj s ARG 538 Ca -0.04 -0.09 -0.20 0.00 -0.13 0.00 0.00 55.73 55.27 1xsj s ARG 538 Cb -0.18 -0.77 0.01 0.00 -1.56 0.00 0.00 34.95 32.46 1xsj s ARG 538 CO -0.07 -0.07 0.60 -0.51 -0.81 0.00 0.00 175.30 174.43 1xsj s LEU 539 N 0.87 4.46 -0.06 -0.88 1.43 -0.34 -1.11 118.68 123.04 1xsj s LEU 539 Ca -0.11 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.67 1xsj s LEU 539 Cb -0.14 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.42 1xsj s LEU 539 CO 0.00 -0.66 0.24 -2.28 0.23 0.00 0.00 176.35 173.88 1xsj s HIS 540 N 2.65 -0.20 0.09 0.29 2.46 -1.26 -1.98 115.29 117.34 1xsj s HIS 540 Ca 0.21 0.44 -0.06 0.00 0.47 0.00 0.00 55.06 56.12 1xsj s HIS 540 Cb -0.15 0.07 -0.01 0.00 -0.13 0.00 0.00 32.58 32.36 1xsj s HIS 540 CO 0.17 -0.22 0.14 0.20 -2.47 0.00 0.00 174.74 172.56 1xsj s GLY 541 N -0.46 0.29 -0.06 1.59 0.00 -1.26 -4.39 107.32 103.04 1xsj s GLY 541 Ca -0.06 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 1xsj s GLY 541 CO 0.01 -0.97 -0.02 0.23 0.00 0.00 0.00 173.10 172.35 1xsj h SER 542 N 2.83 0.00 -0.01 1.64 0.87 -1.07 -0.55 113.55 117.27 1xsj h SER 542 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1xsj h SER 542 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1xsj h SER 542 CO 0.58 0.28 -0.18 0.29 -0.53 0.00 0.00 176.83 177.27 1xsj n LYS 543 N -3.40 1.92 -4.17 2.24 5.02 -1.26 -1.12 118.16 117.39 1xsj n LYS 543 Ca -0.01 -0.64 -0.10 0.00 -2.02 0.00 0.00 58.31 55.53 1xsj n LYS 543 Cb 0.04 -1.08 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.27 0.78 0.48 4.39 1.04 -1.26 -4.63 113.70 113.24 1xsj s SER 544 Ca 0.08 -1.11 -0.12 0.00 0.48 0.00 0.00 55.95 55.28 1xsj s SER 544 Cb 0.08 0.18 -0.06 0.00 0.10 0.00 0.00 66.02 66.32 1xsj s SER 544 CO 0.23 -0.60 0.89 -0.31 0.98 0.00 0.00 173.24 174.43 1xsj s TYR 545 N -3.82 3.50 -1.27 5.02 2.02 -1.26 -4.38 117.35 117.15 1xsj s TYR 545 Ca 0.18 1.22 0.13 0.00 -0.37 0.00 0.00 57.07 58.23 1xsj s TYR 545 Cb 0.07 -2.60 0.31 0.00 -0.40 0.00 0.00 41.96 39.33 1xsj s TYR 545 CO -0.02 -0.31 1.22 0.54 -1.57 0.00 0.00 175.55 175.42 1xsj n ARG 546 N -1.70 2.37 -1.75 -0.62 5.12 -1.26 -4.93 116.66 113.88 1xsj n ARG 546 Ca 0.04 -1.97 -0.42 0.00 -1.93 0.00 0.00 57.85 53.58 1xsj n ARG 546 Cb 0.54 -1.31 -0.02 0.00 -1.16 0.00 0.00 32.46 30.51 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 -1.03 2.04 0.52 1.55 -7.23 -1.26 -4.89 120.40 110.09 1xsj s VAL 547 Ca 0.25 0.03 0.24 0.00 -1.81 0.00 0.00 61.98 60.70 1xsj s VAL 547 Cb 0.14 -3.02 0.30 0.00 0.56 0.00 0.00 36.38 34.36 1xsj s VAL 547 CO 0.19 0.00 2.16 1.55 -0.31 0.00 0.00 175.10 178.70 1xsj h PRO 548 N 5.48 0.00 0.00 4.82 0.13 -1.94 -1.89 132.00 138.60 1xsj h PRO 548 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xsj h PRO 548 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xsj h PRO 548 CO 0.85 0.05 0.00 -2.67 -0.23 0.00 0.00 178.00 176.00 1xsj n TRP 549 N -4.01 0.00 0.72 1.56 2.14 -1.26 -1.47 117.44 115.11 1xsj n TRP 549 Ca -0.03 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.65 1xsj n TRP 549 Cb 0.13 -0.26 0.47 0.00 -0.81 0.00 0.00 31.31 30.85 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 -1.26 2.02 -0.01 -1.67 0.00 -0.71 -4.40 120.51 114.48 1xsj n ALA 550 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 1xsj n ALA 550 Cb 0.14 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.66 0.00 -3.83 0.00 4.02 -0.54 -5.08 117.16 110.06 1xsj n TYR 551 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1xsj n TYR 551 Cb 0.28 -0.21 0.01 0.00 -0.02 0.00 0.00 39.34 39.39 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 -5.85 -0.03 0.16 7.72 1.47 -1.18 -4.82 116.67 114.14 1xsj s ASP 552 Ca -0.12 -0.31 -0.11 0.00 1.18 0.00 0.00 52.55 53.19 1xsj s ASP 552 Cb 0.02 0.26 0.02 0.00 -0.34 0.00 0.00 42.92 42.88 1xsj s ASP 552 CO 0.18 -0.51 1.57 0.44 0.68 0.00 0.00 175.17 177.53 1xsj h ASP 553 N 2.00 0.99 -0.64 2.11 3.32 -1.90 -2.60 116.42 119.69 1xsj h ASP 553 Ca -0.26 -0.36 0.05 0.00 0.02 0.00 0.00 57.03 56.48 1xsj h ASP 553 Cb 1.20 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 1xsj h ASP 553 CO 0.31 1.12 0.42 -0.08 -1.72 0.00 0.00 179.24 179.30 1xsj h GLU 554 N 0.84 0.67 -0.39 3.56 4.81 -1.96 -1.33 114.58 120.78 1xsj h GLU 554 Ca 0.13 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1xsj h GLU 554 Cb 0.69 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1xsj h GLU 554 CO 0.05 0.44 0.27 0.77 -0.73 0.00 0.00 179.01 179.81 1xsj h SER 555 N 0.69 0.17 -0.47 1.04 0.02 -1.74 -0.23 113.55 113.02 1xsj h SER 555 Ca 0.27 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.09 1xsj h SER 555 Cb 0.20 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1xsj h SER 555 CO -0.08 0.11 -0.19 0.00 -1.14 0.00 0.00 176.83 175.53 1xsj h ASP 557 N 0.85 0.90 0.10 0.00 3.32 -1.07 -1.12 116.42 119.41 1xsj h ASP 557 Ca 0.12 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1xsj h ASP 557 Cb 0.76 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xsj h ASP 557 CO 0.06 0.92 -0.05 0.58 -1.72 0.00 0.00 179.24 179.03 1xsj h VAL 558 N 0.89 1.02 -0.59 -1.35 2.07 -1.02 0.79 116.25 118.05 1xsj h VAL 558 Ca 0.18 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1xsj h VAL 558 Cb 0.42 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1xsj h VAL 558 CO 0.01 0.11 0.36 0.58 0.02 0.00 0.00 177.57 178.65 1xsj h VAL 559 N -0.33 1.07 0.17 2.57 2.07 -1.22 -1.85 116.25 118.74 1xsj h VAL 559 Ca -0.01 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1xsj h VAL 559 Cb 0.28 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1xsj h VAL 559 CO 0.02 0.13 -0.08 -0.09 0.02 0.00 0.00 177.57 177.57 1xsj h ARG 560 N 0.72 -0.23 -0.71 1.57 2.43 -1.09 -0.53 114.38 116.54 1xsj h ARG 560 Ca 0.24 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1xsj h ARG 560 Cb 0.01 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 1xsj h ARG 560 CO -0.10 -0.14 0.43 0.35 -1.51 0.00 0.00 179.97 179.01 1xsj h PHE 561 N -0.25 0.81 0.03 2.20 3.04 -0.53 -1.91 116.94 120.33 1xsj h PHE 561 Ca -0.02 0.02 -0.24 0.00 3.98 0.00 0.00 57.97 61.71 1xsj h PHE 561 Cb 0.19 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 1xsj h PHE 561 CO -0.06 0.44 -1.18 0.74 -2.02 0.00 0.00 178.31 176.23 1xsj h PHE 562 N 0.83 0.10 -0.22 0.41 0.04 -1.22 -2.34 116.94 114.54 1xsj h PHE 562 Ca 0.30 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.96 1xsj h PHE 562 Cb 0.08 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1xsj h PHE 562 CO -0.05 1.07 -0.01 1.15 -0.60 0.00 0.00 178.31 179.87 1xsj h THR 563 N 0.01 1.26 -0.50 -1.55 2.02 -0.99 -0.62 112.91 112.54 1xsj h THR 563 Ca -0.09 -0.90 0.05 0.00 0.77 0.00 0.00 66.41 66.24 1xsj h THR 563 Cb 1.85 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 69.64 1xsj h THR 563 CO 0.13 0.28 0.24 1.56 0.37 0.00 0.00 175.52 178.10 1xsj h GLN 564 N 0.14 0.45 -0.56 6.66 4.20 -1.41 -1.58 115.11 123.02 1xsj h GLN 564 Ca 0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1xsj h GLN 564 Cb 0.41 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1xsj h GLN 564 CO 0.01 0.29 0.29 1.25 -0.67 0.00 0.00 178.83 180.01 1xsj h LEU 565 N 0.46 0.71 -0.59 1.46 5.85 -1.31 -1.29 115.31 120.61 1xsj h LEU 565 Ca 0.23 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1xsj h LEU 565 Cb 0.17 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1xsj h LEU 565 CO -0.18 0.62 0.17 0.50 -0.34 0.00 0.00 178.44 179.21 1xsj h LYS 566 N 0.75 0.92 -0.61 1.25 3.64 -0.86 -0.58 116.57 121.09 1xsj h LYS 566 Ca 0.19 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1xsj h LYS 566 Cb 0.08 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1xsj h LYS 566 CO -0.03 0.84 0.13 0.00 -2.27 0.00 0.00 179.45 178.12 1xsj h ARG 568 N 0.91 0.00 -0.00 0.00 3.08 -0.84 -2.71 114.38 114.83 1xsj h ARG 568 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1xsj h ARG 568 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1xsj h ARG 568 CO 0.00 0.18 -0.16 -1.33 -1.07 0.00 0.00 179.97 177.59 1xsj n MET 569 N -3.59 0.23 -0.07 0.04 2.81 -0.26 0.50 117.12 116.78 1xsj n MET 569 Ca -0.01 -0.07 0.09 0.00 -1.81 0.00 0.00 57.70 55.90 1xsj n MET 569 Cb 0.31 -1.50 0.46 0.00 -0.71 0.00 0.00 33.22 31.79 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 0.17 0.48 -0.88 0.03 2.86 -1.21 -0.05 114.93 116.34 1xsj h MET 570 Ca 0.00 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1xsj h MET 570 Cb 0.44 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 1xsj h MET 570 CO 0.00 0.32 0.56 -1.35 1.06 0.00 0.00 176.91 177.49 1xsj h PRO 571 N 0.49 1.01 0.05 -0.22 0.11 -1.78 0.63 132.00 132.30 1xsj h PRO 571 Ca 0.24 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1xsj h PRO 571 Cb 0.33 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1xsj h PRO 571 CO -0.07 0.67 -0.02 -0.92 -0.21 0.00 0.00 178.00 177.45 1xsj h TYR 572 N 1.04 -0.06 -0.59 0.65 3.20 -1.21 -3.28 116.97 116.72 1xsj h TYR 572 Ca 0.37 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 1xsj h TYR 572 Cb 0.10 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1xsj h TYR 572 CO -0.02 0.51 0.23 -0.07 -1.64 0.00 0.00 178.16 177.16 1xsj h LEU 573 N -0.69 0.81 -1.03 2.82 4.07 -0.78 -2.40 115.31 118.11 1xsj h LEU 573 Ca -0.01 -0.17 -0.09 0.00 0.08 0.00 0.00 57.88 57.69 1xsj h LEU 573 Cb 0.59 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 1xsj h LEU 573 CO 0.01 0.77 -0.25 0.22 -1.08 0.00 0.00 178.44 178.10 1xsj h TYR 574 N 0.81 0.43 -0.57 1.13 3.20 -1.04 -0.28 116.97 120.65 1xsj h TYR 574 Ca 0.19 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1xsj h TYR 574 Cb 0.21 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1xsj h TYR 574 CO 0.01 0.61 0.09 -0.09 -1.64 0.00 0.00 178.16 177.15 1xsj h ARG 575 N 0.35 0.91 -0.39 1.82 9.65 -1.55 -1.74 114.38 123.41 1xsj h ARG 575 Ca 0.05 -0.22 -0.07 0.00 -1.10 0.00 0.00 59.98 58.64 1xsj h ARG 575 Cb 0.64 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.08 1xsj h ARG 575 CO 0.05 0.84 -0.05 0.93 2.80 0.00 0.00 179.97 184.54 1xsj h GLU 576 N 0.86 0.66 -0.88 0.20 4.39 -0.91 -2.56 114.58 116.34 1xsj h GLU 576 Ca 0.18 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xsj h GLU 576 Cb 0.38 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1xsj h GLU 576 CO 0.01 0.72 0.56 0.00 -1.16 0.00 0.00 179.01 179.14 1xsj h ALA 577 N 1.33 1.34 -0.34 3.43 0.00 -0.75 -2.48 119.26 121.80 1xsj h ALA 577 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1xsj h ALA 577 Cb 0.47 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xsj h ALA 577 CO 0.02 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.90 1xsj h ALA 578 N 1.43 1.43 -0.91 0.00 0.00 -0.94 -2.48 119.26 117.79 1xsj h ALA 578 Ca 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xsj h ALA 578 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1xsj h ALA 578 CO -0.07 0.41 0.55 0.00 0.00 0.00 0.00 179.25 180.14 1xsj h ARG 579 N 0.50 1.24 -0.54 0.00 3.08 -1.10 -1.24 114.38 116.31 1xsj h ARG 579 Ca 0.11 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1xsj h ARG 579 Cb 0.27 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1xsj h ARG 579 CO 0.00 0.87 0.35 0.00 -1.07 0.00 0.00 179.97 180.12 1xsj h ALA 580 N 1.35 0.70 -0.14 0.04 0.00 -1.21 0.39 119.26 120.39 1xsj h ALA 580 Ca 0.33 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1xsj h ALA 580 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1xsj h ALA 580 CO -0.06 0.10 -0.45 -0.97 0.00 0.00 0.00 179.25 177.87 1xsj h ASN 581 N 0.70 0.36 0.34 0.00 -0.73 -1.19 0.10 115.58 115.17 1xsj h ASN 581 Ca 0.21 -0.16 -0.32 0.00 1.87 0.00 0.00 56.30 57.89 1xsj h ASN 581 Cb -0.04 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.43 1xsj h ASN 581 CO -0.06 0.77 -1.75 0.00 -0.37 0.00 0.00 177.43 176.02 1xsj h ALA 582 N 1.25 0.45 0.00 1.57 0.00 -1.17 -3.41 119.26 117.95 1xsj h ALA 582 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.63 1xsj h ALA 582 Cb 0.91 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1xsj h ALA 582 CO 0.07 1.31 0.00 0.54 0.00 0.00 0.00 179.25 181.17 1xsj n ARG 583 N -3.37 -0.01 -1.46 0.00 1.74 0.12 -5.00 116.66 108.68 1xsj n ARG 583 Ca -0.22 -0.59 -0.16 0.00 -0.77 0.00 0.00 57.85 56.11 1xsj n ARG 583 Cb 1.05 -0.87 -0.07 0.00 -1.02 0.00 0.00 32.46 31.55 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 -0.09 1.60 3.64 -0.13 0.00 0.36 -3.04 105.19 107.53 1xsj n GLY 584 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.56 4.32 0.70 2.61 2.01 -1.20 -4.74 115.64 116.78 1xsj s THR 585 Ca 0.00 1.52 -0.15 0.00 0.31 0.00 0.00 61.69 63.37 1xsj s THR 585 Cb 0.00 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.26 1xsj s THR 585 CO 0.00 -0.45 1.14 -2.16 -0.69 0.00 0.00 174.62 172.46 1xsj s PRO 586 N 3.87 2.49 0.21 4.92 0.04 -1.26 -2.64 135.00 142.63 1xsj s PRO 586 Ca 0.51 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 1xsj s PRO 586 Cb -0.15 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.65 1xsj s PRO 586 CO 0.19 -1.51 1.55 0.52 0.04 0.00 0.00 177.00 177.79 1xsj h MET 587 N -0.19 0.57 -4.34 4.56 2.86 -1.75 -3.40 114.93 113.25 1xsj h MET 587 Ca -0.47 -0.32 -0.73 0.00 -2.06 0.00 0.00 59.70 56.12 1xsj h MET 587 Cb 1.26 0.02 -0.23 0.00 0.06 0.00 0.00 31.60 32.71 1xsj h MET 587 CO 0.52 0.92 -0.36 1.41 1.06 0.00 0.00 176.91 180.46 1xsj s MET 588 N -4.14 2.92 -0.15 1.72 -2.45 -1.26 -1.30 119.30 114.63 1xsj s MET 588 Ca -0.07 -1.35 -0.04 0.00 -1.25 0.00 0.00 55.69 52.98 1xsj s MET 588 Cb 0.12 -4.06 -0.03 0.00 1.25 0.00 0.00 34.83 32.11 1xsj s MET 588 CO 0.83 -1.00 -0.03 1.03 1.05 0.00 0.00 175.02 176.91 1xsj s ARG 589 N 1.61 3.60 0.45 4.11 0.52 0.13 -4.78 118.95 124.59 1xsj s ARG 589 Ca 0.04 -0.49 -0.25 0.00 -0.52 0.00 0.00 55.73 54.51 1xsj s ARG 589 Cb -0.24 -2.92 -0.08 0.00 0.52 0.00 0.00 34.95 32.23 1xsj s ARG 589 CO 0.06 0.31 1.44 0.00 0.02 0.00 0.00 175.30 177.13 1xsj s ALA 590 N 0.18 3.24 0.35 2.13 0.00 -1.26 -1.10 121.76 125.31 1xsj s ALA 590 Ca -0.01 1.49 0.11 0.00 0.00 0.00 0.00 51.96 53.55 1xsj s ALA 590 Cb -0.14 -3.60 0.90 0.00 0.00 0.00 0.00 23.12 20.29 1xsj s ALA 590 CO 0.03 -1.23 1.79 0.52 0.00 0.00 0.00 175.76 176.87 1xsj h MET 591 N 2.29 0.58 -0.08 0.00 0.00 -1.81 -0.86 114.93 115.05 1xsj h MET 591 Ca -0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 59.70 59.13 1xsj h MET 591 Cb 1.27 -0.13 -0.01 0.00 0.00 0.00 0.00 31.60 32.73 1xsj h MET 591 CO 0.61 0.38 -0.09 0.00 0.00 0.00 0.00 176.91 177.82 1xsj h MET 592 N 0.60 0.12 -0.44 1.72 -0.00 -1.85 0.11 114.93 115.18 1xsj h MET 592 Ca 0.56 -0.02 -0.13 0.00 -0.00 0.00 0.00 59.70 60.10 1xsj h MET 592 Cb 1.10 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.67 1xsj h MET 592 CO -0.32 0.22 -0.26 1.98 -0.00 0.00 0.00 176.91 178.53 1xsj h MET 593 N 0.12 0.93 0.00 -0.10 1.85 -1.51 -2.66 114.93 113.56 1xsj h MET 593 Ca 0.03 -0.41 -0.19 0.00 -0.61 0.00 0.00 59.70 58.51 1xsj h MET 593 Cb 0.23 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.21 1xsj h MET 593 CO 0.01 1.07 -1.17 1.49 -0.40 0.00 0.00 176.91 177.92 1xsj h GLU 594 N 0.79 0.00 -2.12 0.39 4.57 -1.34 -3.40 114.58 113.48 1xsj h GLU 594 Ca 0.10 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.73 1xsj h GLU 594 Cb 0.82 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 29.01 1xsj h GLU 594 CO 0.07 0.55 -0.91 1.19 -1.18 0.00 0.00 179.01 178.72 1xsj n PHE 595 N -3.11 1.86 0.28 0.92 3.01 0.31 -4.94 117.46 115.79 1xsj n PHE 595 Ca -0.06 -3.88 0.16 0.00 1.01 0.00 0.00 57.45 54.67 1xsj n PHE 595 Cb 0.88 -0.45 0.81 0.00 -0.01 0.00 0.00 39.48 40.71 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 3.34 0.00 -0.00 -1.08 0.13 -1.68 -1.35 132.00 131.36 1xsj h PRO 596 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1xsj h PRO 596 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1xsj h PRO 596 CO 0.65 0.07 -0.13 -0.25 -0.23 0.00 0.00 178.00 178.11 1xsj n ASP 597 N -3.41 0.38 -4.47 1.44 8.00 -1.26 -4.82 116.55 112.42 1xsj n ASP 597 Ca -0.01 -0.37 -0.43 0.00 0.71 0.00 0.00 54.79 54.69 1xsj n ASP 597 Cb 0.23 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 1xsj n ASP 597 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xsj s ASP 598 N -2.61 6.13 0.59 -2.24 -1.08 -0.51 -4.93 116.67 112.02 1xsj s ASP 598 Ca 0.25 -0.85 0.35 0.00 -0.52 0.00 0.00 52.55 51.78 1xsj s ASP 598 Cb 0.20 -2.17 1.83 0.00 -1.46 0.00 0.00 42.92 41.32 1xsj s ASP 598 CO 0.50 -0.47 2.19 1.55 0.52 0.00 0.00 175.17 179.46 1xsj h PRO 599 N 8.65 0.00 0.00 4.34 0.13 -1.87 -1.89 132.00 141.35 1xsj h PRO 599 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xsj h PRO 599 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xsj h PRO 599 CO 0.74 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 1xsj h ALA 600 N 1.96 1.00 -0.00 -0.56 0.00 -1.94 -3.18 119.26 116.53 1xsj h ALA 600 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsj h ALA 600 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xsj h ALA 600 CO 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 179.25 178.92 1xsj h ASP 602 N 0.34 0.33 -0.24 0.00 3.32 -1.70 -3.02 116.42 115.45 1xsj h ASP 602 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1xsj h ASP 602 Cb 0.48 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1xsj h ASP 602 CO 0.00 0.10 0.00 -1.22 -1.72 0.00 0.00 179.24 176.40 1xsj n TYR 603 N -4.99 0.32 -2.10 4.55 4.01 -1.26 -4.88 117.16 112.81 1xsj n TYR 603 Ca 0.16 -0.37 -0.42 0.00 -0.16 0.00 0.00 57.90 57.10 1xsj n TYR 603 Cb 0.46 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 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 -0.96 4.29 0.00 7.72 1.43 -1.14 -4.83 118.68 125.19 1xsj s LEU 604 Ca 0.19 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1xsj s LEU 604 Cb 0.10 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1xsj s LEU 604 CO 0.14 -0.89 0.32 -0.90 0.23 0.00 0.00 176.35 175.26 1xsj n ASP 605 N 6.98 0.38 -0.54 2.29 3.85 -1.26 -4.56 116.55 123.68 1xsj n ASP 605 Ca 0.16 -1.10 0.05 0.00 -0.71 0.00 0.00 54.79 53.19 1xsj n ASP 605 Cb 0.43 0.00 0.11 0.00 -1.35 0.00 0.00 41.12 40.31 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 -0.05 2.16 -4.08 0.11 1.74 -1.26 -4.51 116.66 110.77 1xsj n ARG 606 Ca 0.00 -1.75 -0.10 0.00 -0.77 0.00 0.00 57.85 55.23 1xsj n ARG 606 Cb 0.27 -1.23 -0.08 0.00 -1.02 0.00 0.00 32.46 30.40 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 -0.96 1.20 0.24 5.56 -2.07 -1.26 -3.91 119.66 118.46 1xsj s GLN 607 Ca 0.19 -1.38 -0.20 0.00 -1.82 0.00 0.00 55.36 52.14 1xsj s GLN 607 Cb 0.10 0.34 0.03 0.00 -1.09 0.00 0.00 33.01 32.39 1xsj s GLN 607 CO 0.14 -0.42 0.65 1.52 -1.32 0.00 0.00 175.29 175.86 1xsj s TYR 608 N -4.05 -0.22 -0.19 9.60 -0.85 -0.38 -4.59 117.35 116.66 1xsj s TYR 608 Ca 0.26 -0.16 -0.09 0.00 -0.52 0.00 0.00 57.07 56.56 1xsj s TYR 608 Cb 0.04 0.61 -0.05 0.00 0.38 0.00 0.00 41.96 42.94 1xsj s TYR 608 CO 0.06 -1.10 0.13 -1.64 -1.52 0.00 0.00 175.55 171.47 1xsj s MET 609 N -3.88 4.05 -0.50 -3.49 -1.94 -0.26 -0.75 119.30 112.53 1xsj s MET 609 Ca 0.09 -0.22 -0.14 0.00 -1.71 0.00 0.00 55.69 53.72 1xsj s MET 609 Cb -0.04 -3.36 0.11 0.00 2.01 0.00 0.00 34.83 33.55 1xsj s MET 609 CO 0.01 0.37 0.43 -1.17 -0.01 0.00 0.00 175.02 174.65 1xsj s LEU 610 N 0.15 5.90 0.00 -0.03 2.96 0.99 -0.70 118.68 127.94 1xsj s LEU 610 Ca 0.09 -1.71 0.00 0.00 -0.22 0.00 0.00 54.13 52.29 1xsj s LEU 610 Cb -0.11 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1xsj s LEU 610 CO -0.01 -0.76 0.00 0.61 -1.32 0.00 0.00 176.35 174.87 1xsj n GLY 611 N 5.14 -1.70 0.30 7.98 0.00 -0.42 -3.74 105.19 112.74 1xsj n GLY 611 Ca -0.12 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.10 0.33 0.00 1.61 3.32 -1.91 -3.38 116.42 116.29 1xsj h ASP 612 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xsj h ASP 612 Cb 0.10 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1xsj h ASP 612 CO 0.00 0.24 -0.16 0.59 -1.72 0.00 0.00 179.24 178.20 1xsj n ASN 613 N -4.49 0.31 -4.07 6.45 3.02 -1.26 -4.98 115.26 110.23 1xsj n ASN 613 Ca 0.01 -0.53 -0.29 0.00 -0.03 0.00 0.00 54.58 53.75 1xsj n ASN 613 Cb 0.07 1.01 -0.17 0.00 -0.61 0.00 0.00 39.78 40.08 1xsj n ASN 613 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsj s VAL 614 N -1.26 1.57 -0.21 2.41 0.11 -1.25 -1.79 120.40 119.99 1xsj s VAL 614 Ca 0.01 -0.69 -0.19 0.00 -2.93 0.00 0.00 61.98 58.18 1xsj s VAL 614 Cb 0.02 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 1xsj s VAL 614 CO 0.10 0.46 0.54 -0.32 -3.33 0.00 0.00 175.10 172.54 1xsj s MET 615 N 0.95 4.18 -0.13 1.54 1.75 0.08 -0.01 119.30 127.66 1xsj s MET 615 Ca -0.07 0.45 0.01 0.00 -1.25 0.00 0.00 55.69 54.83 1xsj s MET 615 Cb -0.15 -3.58 -0.01 0.00 2.84 0.00 0.00 34.83 33.93 1xsj s MET 615 CO -0.01 -0.20 -0.16 0.54 -0.65 0.00 0.00 175.02 174.53 1xsj s VAL 616 N 1.80 2.73 -0.35 10.11 0.11 0.07 -0.83 120.40 134.04 1xsj s VAL 616 Ca 0.25 -0.77 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 1xsj s VAL 616 Cb -0.16 -2.12 0.10 0.00 -1.53 0.00 0.00 36.38 32.67 1xsj s VAL 616 CO 0.10 0.53 0.07 0.00 -3.33 0.00 0.00 175.10 172.47 1xsj s ALA 617 N 0.42 2.75 0.71 1.54 0.00 -0.77 -1.25 121.76 125.16 1xsj s ALA 617 Ca -0.12 -2.49 -0.16 0.00 0.00 0.00 0.00 51.96 49.19 1xsj s ALA 617 Cb -0.16 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.03 1xsj s ALA 617 CO 0.06 -1.72 1.07 -2.30 0.00 0.00 0.00 175.76 172.87 1xsj n PRO 618 N 4.23 0.61 -3.56 0.00 -0.02 -1.25 -3.98 135.00 131.03 1xsj n PRO 618 Ca 0.03 0.27 -0.38 0.00 -2.02 0.00 0.00 63.50 61.40 1xsj n PRO 618 Cb 0.41 -2.32 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.75 5.29 -0.29 -1.45 1.01 -1.26 -4.99 120.40 116.95 1xsj s VAL 619 Ca 0.76 0.32 0.11 0.00 0.00 0.00 0.00 61.98 63.17 1xsj s VAL 619 Cb -0.35 -3.58 0.68 0.00 0.00 0.00 0.00 36.38 33.13 1xsj s VAL 619 CO 0.48 0.28 1.70 0.49 0.00 0.00 0.00 175.10 178.04 1xsj n PHE 620 N 4.67 2.01 -4.05 5.22 3.72 -1.26 -4.82 117.46 122.94 1xsj n PHE 620 Ca -0.13 -1.20 -0.13 0.00 -0.05 0.00 0.00 57.45 55.94 1xsj n PHE 620 Cb 0.52 -0.60 -0.11 0.00 -0.94 0.00 0.00 39.48 38.35 1xsj n PHE 620 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1xsj s THR 621 N -3.01 0.49 0.16 4.37 -4.23 -1.26 -4.92 115.64 107.24 1xsj s THR 621 Ca 0.51 -1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 59.83 1xsj s THR 621 Cb 0.42 -0.57 0.04 0.00 1.34 0.00 0.00 72.50 73.73 1xsj s THR 621 CO 0.11 -0.39 1.76 -0.08 -0.54 0.00 0.00 174.62 175.47 1xsj h GLU 622 N 4.53 0.69 0.00 3.99 4.81 -1.93 -2.76 114.58 123.90 1xsj h GLU 622 Ca -0.35 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1xsj h GLU 622 Cb 1.20 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1xsj h GLU 622 CO 0.41 0.55 -0.09 0.00 -0.73 0.00 0.00 179.01 179.15 1xsj h ALA 623 N 1.10 1.26 0.00 2.92 0.00 -1.96 -3.47 119.26 119.10 1xsj h ALA 623 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xsj h ALA 623 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xsj h ALA 623 CO -0.03 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1xsj n GLY 624 N -0.72 0.70 3.77 0.00 0.00 -1.04 -4.60 105.19 103.29 1xsj n GLY 624 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.63 6.87 -0.18 1.61 1.01 -1.26 -0.80 116.67 121.29 1xsj s ASP 625 Ca 0.00 2.57 -0.25 0.00 0.71 0.00 0.00 52.55 55.58 1xsj s ASP 625 Cb 0.00 -2.64 0.06 0.00 1.01 0.00 0.00 42.92 41.35 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 -1.16 0.00 -0.03 -1.27 0.11 -0.32 -4.39 120.40 113.34 1xsj s VAL 626 Ca 0.48 -0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.55 1xsj s VAL 626 Cb -0.37 -0.94 -0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1xsj s VAL 626 CO 0.49 -0.01 -0.16 -1.10 -3.33 0.00 0.00 175.10 170.99 1xsj s GLN 627 N -0.21 1.57 0.06 1.54 -0.21 -1.26 -1.12 119.66 120.03 1xsj s GLN 627 Ca -0.04 -0.56 -0.16 0.00 0.02 0.00 0.00 55.36 54.62 1xsj s GLN 627 Cb -0.03 -1.40 0.03 0.00 1.00 0.00 0.00 33.01 32.60 1xsj s GLN 627 CO 0.04 0.24 0.37 -0.59 -2.12 0.00 0.00 175.29 173.23 1xsj s PHE 628 N -0.02 -0.19 -0.12 0.91 -0.12 -0.53 -4.98 117.98 112.94 1xsj s PHE 628 Ca -0.02 0.06 -0.07 0.00 -0.05 0.00 0.00 56.93 56.85 1xsj s PHE 628 Cb -0.10 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 1xsj s PHE 628 CO 0.01 -0.57 0.14 -0.47 -0.05 0.00 0.00 175.22 174.29 1xsj s TYR 629 N -2.74 3.60 -0.20 3.49 5.04 -1.26 -0.62 117.35 124.65 1xsj s TYR 629 Ca -0.04 0.53 -0.02 0.00 -2.44 0.00 0.00 57.07 55.10 1xsj s TYR 629 Cb -0.00 -1.94 0.00 0.00 0.35 0.00 0.00 41.96 40.37 1xsj s TYR 629 CO -0.04 0.74 -0.10 -0.51 -1.34 0.00 0.00 175.55 174.29 1xsj s LEU 630 N -1.02 2.60 1.27 6.97 1.02 -0.57 -4.98 118.68 123.97 1xsj s LEU 630 Ca 0.15 -0.49 -0.16 0.00 0.02 0.00 0.00 54.13 53.65 1xsj s LEU 630 Cb -0.12 -1.64 0.31 0.00 0.02 0.00 0.00 46.19 44.76 1xsj s LEU 630 CO 0.04 -0.01 0.88 -2.65 0.02 0.00 0.00 176.35 174.63 1xsj n PRO 631 N 4.71 -3.19 -1.66 1.29 -0.02 -1.26 0.35 135.00 135.21 1xsj n PRO 631 Ca -0.19 -0.92 -0.44 0.00 -2.02 0.00 0.00 63.50 59.92 1xsj n PRO 631 Cb 0.51 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 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 -4.96 1.91 0.00 -0.52 2.13 -1.26 -2.63 120.64 115.31 1xsj n GLU 632 Ca 0.05 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1xsj n GLU 632 Cb 0.56 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 30.00 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 1.69 1.76 3.42 8.31 0.00 -1.26 -4.83 105.19 114.28 1xsj n GLY 633 Ca 0.10 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.43 3.15 0.04 1.61 3.52 -1.26 -0.19 118.95 124.39 1xsj s ARG 634 Ca 0.00 -0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 54.74 1xsj s ARG 634 Cb 0.00 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1xsj s ARG 634 CO 0.00 -0.52 0.20 -1.58 -0.81 0.00 0.00 175.30 172.58 1xsj s TRP 635 N 1.60 3.51 -0.05 5.12 0.52 0.48 -3.23 118.94 126.89 1xsj s TRP 635 Ca 0.04 0.27 0.04 0.00 0.02 0.00 0.00 56.10 56.47 1xsj s TRP 635 Cb -0.18 -1.77 -0.00 0.00 -1.15 0.00 0.00 33.47 30.37 1xsj s TRP 635 CO 0.07 0.60 -0.16 0.99 0.02 0.00 0.00 176.95 178.47 1xsj s THR 636 N -1.45 1.33 0.19 2.01 2.01 0.12 -0.40 115.64 119.46 1xsj s THR 636 Ca 0.32 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 1xsj s THR 636 Cb -0.13 -1.16 -0.09 0.00 0.01 0.00 0.00 72.50 71.13 1xsj s THR 636 CO 0.25 0.39 1.39 -2.28 -0.69 0.00 0.00 174.62 173.68 1xsj s HIS 637 N 0.14 3.17 0.30 4.92 2.46 0.02 0.45 115.29 126.74 1xsj s HIS 637 Ca -0.06 1.04 0.04 0.00 0.47 0.00 0.00 55.06 56.55 1xsj s HIS 637 Cb -0.12 -3.72 0.64 0.00 -0.13 0.00 0.00 32.58 29.25 1xsj s HIS 637 CO 0.02 -2.37 1.83 1.25 -2.47 0.00 0.00 174.74 173.00 1xsj h LEU 638 N 5.74 0.86 0.00 8.88 5.85 -1.37 -1.75 115.31 133.52 1xsj h LEU 638 Ca -0.44 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1xsj h LEU 638 Cb 1.21 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1xsj h LEU 638 CO 0.81 0.43 -0.71 -2.67 -0.34 0.00 0.00 178.44 175.95 1xsj n TRP 639 N -4.63 0.00 0.40 1.25 2.14 -1.26 -4.70 117.44 110.64 1xsj n TRP 639 Ca 0.19 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.89 1xsj n TRP 639 Cb 0.41 0.00 0.24 0.00 -0.81 0.00 0.00 31.31 31.16 1xsj n TRP 639 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1xsj h HIS 640 N 0.00 0.00 0.00 -2.67 3.86 -1.93 -3.47 115.15 110.94 1xsj h HIS 640 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xsj h HIS 640 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xsj h HIS 640 CO 0.00 0.00 0.00 -1.71 0.86 0.00 0.00 177.93 177.08 1xsj n ASN 641 N -2.65 -0.45 -4.78 2.45 5.15 -0.66 -4.94 115.26 109.39 1xsj n ASN 641 Ca 0.04 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.68 1xsj n ASN 641 Cb 0.48 -1.85 0.01 0.00 -0.53 0.00 0.00 39.78 37.90 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 -2.26 5.62 0.01 1.20 -4.77 -1.26 -4.61 116.67 110.58 1xsj s ASP 642 Ca 0.00 2.08 0.06 0.00 -3.30 0.00 0.00 52.55 51.39 1xsj s ASP 642 Cb 0.00 -2.57 -0.03 0.00 -1.09 0.00 0.00 42.92 39.23 1xsj s ASP 642 CO 0.00 -1.29 -0.18 -1.61 0.70 0.00 0.00 175.17 172.80 1xsj s GLU 643 N -3.56 2.21 -0.00 2.11 2.02 -1.26 -0.80 118.70 119.41 1xsj s GLU 643 Ca 0.70 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.83 1xsj s GLU 643 Cb -0.22 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 1xsj s GLU 643 CO 0.31 0.57 -0.08 -0.51 0.02 0.00 0.00 175.26 175.56 1xsj s LEU 644 N -1.14 2.02 0.12 1.80 1.43 0.46 -4.95 118.68 118.42 1xsj s LEU 644 Ca 0.13 -0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.80 1xsj s LEU 644 Cb -0.10 -0.42 -0.07 0.00 0.03 0.00 0.00 46.19 45.63 1xsj s LEU 644 CO 0.03 0.09 0.85 -1.81 0.23 0.00 0.00 176.35 175.75 1xsj s ASP 645 N -0.24 7.40 0.00 2.29 1.01 -1.26 -0.39 116.67 125.47 1xsj s ASP 645 Ca 0.03 1.66 0.00 0.00 0.71 0.00 0.00 52.55 54.95 1xsj s ASP 645 Cb -0.03 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1xsj s ASP 645 CO -0.00 0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.04 1xsj n GLY 646 N 2.07 0.46 2.42 0.21 0.00 0.73 -4.63 105.19 106.45 1xsj n GLY 646 Ca -0.02 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 1xsj n GLY 646 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsj n SER 647 N 0.00 -4.81 -3.59 1.61 7.64 0.15 -4.74 113.62 109.89 1xsj n SER 647 Ca 0.00 0.31 -0.09 0.00 1.01 0.00 0.00 58.87 60.10 1xsj n SER 647 Cb 0.00 -3.71 -0.02 0.00 -1.01 0.00 0.00 64.21 59.47 1xsj n SER 647 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsj s ARG 648 N -3.58 1.29 0.45 1.43 1.70 -0.95 -4.97 118.95 114.32 1xsj s ARG 648 Ca 0.00 -0.58 -0.12 0.00 -0.47 0.00 0.00 55.73 54.55 1xsj s ARG 648 Cb 0.00 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.84 1xsj s ARG 648 CO 0.00 -0.58 0.85 -1.58 -1.08 0.00 0.00 175.30 172.91 1xsj s TRP 649 N -3.59 3.48 0.06 5.89 0.52 -1.26 -1.52 118.94 122.51 1xsj s TRP 649 Ca 0.06 1.18 0.01 0.00 0.02 0.00 0.00 56.10 57.36 1xsj s TRP 649 Cb -0.02 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 1xsj s TRP 649 CO -0.05 -0.22 -0.05 -1.01 0.02 0.00 0.00 176.95 175.64 1xsj s HIS 650 N -2.50 0.64 -0.04 -1.98 3.76 0.21 -4.95 115.29 110.42 1xsj s HIS 650 Ca 0.54 -0.82 0.02 0.00 -0.15 0.00 0.00 55.06 54.65 1xsj s HIS 650 Cb -0.10 -0.41 0.01 0.00 1.11 0.00 0.00 32.58 33.19 1xsj s HIS 650 CO 0.33 -0.21 -0.10 0.21 -0.85 0.00 0.00 174.74 174.12 1xsj s LYS 651 N -3.05 1.22 0.18 1.40 2.20 -1.26 -1.45 119.74 118.98 1xsj s LYS 651 Ca 0.02 -0.34 -0.09 0.00 -0.36 0.00 0.00 55.97 55.20 1xsj s LYS 651 Cb 0.01 -1.09 -0.01 0.00 -1.51 0.00 0.00 37.83 35.23 1xsj s LYS 651 CO -0.05 0.08 0.31 -0.65 -0.36 0.00 0.00 175.35 174.68 1xsj s GLN 652 N 0.39 1.21 -0.08 4.03 -0.21 -0.27 -4.99 119.66 119.74 1xsj s GLN 652 Ca -0.07 -1.19 0.03 0.00 0.02 0.00 0.00 55.36 54.14 1xsj s GLN 652 Cb -0.12 0.39 0.01 0.00 1.00 0.00 0.00 33.01 34.29 1xsj s GLN 652 CO 0.01 -0.45 -0.15 -1.14 -2.12 0.00 0.00 175.29 171.44 1xsj s GLN 653 N -3.98 2.07 -0.03 2.91 0.74 -1.26 -1.17 119.66 118.94 1xsj s GLN 653 Ca 0.19 -0.54 0.04 0.00 0.05 0.00 0.00 55.36 55.10 1xsj s GLN 653 Cb 0.03 -1.66 -0.00 0.00 1.10 0.00 0.00 33.01 32.48 1xsj s GLN 653 CO 0.02 0.06 -0.15 -1.01 -0.55 0.00 0.00 175.29 173.66 1xsj s HIS 654 N 0.59 1.42 0.96 1.67 3.76 0.02 -4.95 115.29 118.76 1xsj s HIS 654 Ca -0.15 -0.35 -0.15 0.00 -0.15 0.00 0.00 55.06 54.25 1xsj s HIS 654 Cb -0.16 -0.95 0.18 0.00 1.11 0.00 0.00 32.58 32.75 1xsj s HIS 654 CO 0.05 -0.10 1.23 0.20 -0.85 0.00 0.00 174.74 175.27 1xsj s GLY 655 N -0.05 1.68 0.24 -2.22 0.00 -1.26 -4.19 107.32 101.52 1xsj s GLY 655 Ca -0.01 -0.95 0.19 0.00 0.00 0.00 0.00 44.72 43.96 1xsj s GLY 655 CO 0.01 -0.25 1.58 0.69 0.00 0.00 0.00 173.10 175.12 1xsj n PHE 656 N -3.81 0.61 -0.30 1.90 3.72 -1.26 -1.67 117.46 116.65 1xsj n PHE 656 Ca 0.12 0.29 0.10 0.00 -0.05 0.00 0.00 57.45 57.91 1xsj n PHE 656 Cb 0.60 -0.96 0.32 0.00 -0.94 0.00 0.00 39.48 38.50 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 -2.10 4.02 -4.09 4.37 4.32 -1.26 -4.88 117.00 117.38 1xsj n LEU 657 Ca 0.00 -2.02 -0.10 0.00 -0.02 0.00 0.00 56.01 53.87 1xsj n LEU 657 Cb 0.10 -0.50 -0.08 0.00 -1.62 0.00 0.00 43.42 41.31 1xsj n LEU 657 CO 0.12 0.85 -0.11 -0.55 -1.22 0.00 0.00 177.39 176.47 1xsj s SER 658 N -0.94 0.11 -0.02 -1.43 0.15 -0.67 -5.05 113.70 105.84 1xsj s SER 658 Ca 0.47 -1.14 -0.30 0.00 0.70 0.00 0.00 55.95 55.68 1xsj s SER 658 Cb 0.27 0.42 0.11 0.00 -1.71 0.00 0.00 66.02 65.10 1xsj s SER 658 CO 0.28 -0.89 1.06 -1.48 1.20 0.00 0.00 173.24 173.40 1xsj s LEU 659 N -3.06 -0.21 -0.21 3.45 2.34 -1.26 -4.65 118.68 115.07 1xsj s LEU 659 Ca 0.28 -0.11 -0.28 0.00 0.06 0.00 0.00 54.13 54.07 1xsj s LEU 659 Cb 0.05 1.77 -0.05 0.00 -0.56 0.00 0.00 46.19 47.40 1xsj s LEU 659 CO 0.07 -0.52 2.14 -2.84 -1.06 0.00 0.00 176.35 174.13 1xsj s PRO 660 N -2.85 3.24 -0.29 1.48 0.02 -1.26 -4.92 135.00 130.43 1xsj s PRO 660 Ca 0.09 1.99 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 1xsj s PRO 660 Cb -0.00 -4.33 0.09 0.00 0.02 0.00 0.00 34.50 30.28 1xsj s PRO 660 CO -0.04 -1.97 0.07 0.08 -0.33 0.00 0.00 177.00 174.80 1xsj s VAL 661 N 7.79 0.91 -0.07 3.83 1.01 -1.25 -1.85 120.40 130.77 1xsj s VAL 661 Ca 0.97 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1xsj s VAL 661 Cb -0.32 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1xsj s VAL 661 CO 0.35 -0.55 -0.19 -0.31 0.00 0.00 0.00 175.10 174.40 1xsj s TYR 662 N 1.62 2.60 -0.18 5.22 2.02 -0.01 -0.89 117.35 127.73 1xsj s TYR 662 Ca 0.07 -0.52 -0.09 0.00 -0.37 0.00 0.00 57.07 56.16 1xsj s TYR 662 Cb -0.17 -1.66 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 1xsj s TYR 662 CO -0.20 -0.08 0.13 0.08 -1.57 0.00 0.00 175.55 173.90 1xsj s VAL 663 N -0.24 5.39 0.77 0.71 1.01 0.17 -0.74 120.40 127.48 1xsj s VAL 663 Ca -0.00 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1xsj s VAL 663 Cb -0.13 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.87 1xsj s VAL 663 CO 0.03 0.49 1.09 0.00 0.00 0.00 0.00 175.10 176.71 1xsj s ARG 664 N 0.01 2.30 1.04 2.72 1.70 -0.74 -0.70 118.95 125.28 1xsj s ARG 664 Ca 0.09 0.68 -0.13 0.00 -0.47 0.00 0.00 55.73 55.90 1xsj s ARG 664 Cb -0.11 -1.94 0.21 0.00 -0.57 0.00 0.00 34.95 32.54 1xsj s ARG 664 CO -0.00 -1.48 1.09 0.16 -1.08 0.00 0.00 175.30 173.99 1xsj s ASP 665 N -3.93 2.29 -1.57 -2.89 3.84 -1.20 -3.88 116.67 109.33 1xsj s ASP 665 Ca 0.60 1.13 -0.15 0.00 -0.00 0.00 0.00 52.55 54.13 1xsj s ASP 665 Cb -0.14 -1.78 0.10 0.00 -1.38 0.00 0.00 42.92 39.73 1xsj s ASP 665 CO 0.54 -3.33 0.95 0.59 -0.00 0.00 0.00 175.17 173.92 1xsj n ASN 666 N -4.30 -4.54 -4.25 2.11 3.02 -0.16 -4.97 115.26 102.17 1xsj n ASN 666 Ca 0.05 -0.83 -0.31 0.00 -0.03 0.00 0.00 54.58 53.47 1xsj n ASN 666 Cb 0.57 -3.65 -0.16 0.00 -0.61 0.00 0.00 39.78 35.94 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 -3.29 1.97 -0.23 3.41 2.01 -1.13 -4.52 115.64 113.85 1xsj s THR 667 Ca 0.69 -1.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.67 1xsj s THR 667 Cb -0.35 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 70.52 1xsj s THR 667 CO 0.85 0.55 -0.11 -0.22 -0.69 0.00 0.00 174.62 175.00 1xsj s LEU 668 N -0.16 2.94 -0.03 4.42 2.96 -1.26 -0.75 118.68 126.80 1xsj s LEU 668 Ca -0.03 -0.89 0.05 0.00 -0.22 0.00 0.00 54.13 53.03 1xsj s LEU 668 Cb -0.13 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1xsj s LEU 668 CO 0.03 -0.10 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.58 1xsj s LEU 669 N 1.28 2.65 -0.26 -0.68 2.96 -0.50 -4.32 118.68 119.81 1xsj s LEU 669 Ca -0.00 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.57 1xsj s LEU 669 Cb -0.16 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1xsj s LEU 669 CO -0.07 0.33 0.12 0.00 -1.32 0.00 0.00 176.35 175.41 1xsj s ALA 670 N -0.75 3.32 -0.02 5.97 0.00 -1.26 -0.97 121.76 128.06 1xsj s ALA 670 Ca 0.12 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1xsj s ALA 670 Cb -0.11 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1xsj s ALA 670 CO 0.01 -0.46 -0.02 -0.51 0.00 0.00 0.00 175.76 174.79 1xsj s LEU 671 N 1.57 3.42 0.53 0.00 1.43 -0.28 -3.00 118.68 122.34 1xsj s LEU 671 Ca 0.06 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1xsj s LEU 671 Cb -0.15 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1xsj s LEU 671 CO 0.06 0.30 0.76 -0.83 0.23 0.00 0.00 176.35 176.87 1xsj s GLY 672 N -1.38 1.78 -0.06 -3.19 0.00 0.18 -0.27 107.32 104.38 1xsj s GLY 672 Ca 0.18 -1.27 0.20 0.00 0.00 0.00 0.00 44.72 43.82 1xsj s GLY 672 CO 0.08 -1.01 1.56 1.16 0.00 0.00 0.00 173.10 174.89 1xsj n ASN 673 N -2.29 4.29 -4.15 1.64 6.94 -1.26 -4.76 115.26 115.67 1xsj n ASN 673 Ca 0.07 -2.24 -0.32 0.00 -0.02 0.00 0.00 54.58 52.07 1xsj n ASN 673 Cb 0.59 -0.52 -0.17 0.00 -2.36 0.00 0.00 39.78 37.33 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 -0.98 3.01 -0.14 0.53 3.84 -1.26 -5.01 114.94 114.94 1xsj s ASN 674 Ca 0.48 -0.58 0.15 0.00 0.21 0.00 0.00 52.86 53.13 1xsj s ASN 674 Cb 0.28 -1.39 0.46 0.00 -0.55 0.00 0.00 41.25 40.06 1xsj s ASN 674 CO 0.27 0.07 1.37 -0.90 -2.79 0.00 0.00 177.10 175.12 1xsj n ASP 675 N 4.10 3.58 -0.02 -4.21 5.75 -1.26 -3.45 116.55 121.04 1xsj n ASP 675 Ca -0.20 -2.81 0.03 0.00 -0.01 0.00 0.00 54.79 51.80 1xsj n ASP 675 Cb 0.51 -0.47 -0.10 0.00 -1.03 0.00 0.00 41.12 40.04 1xsj n ASP 675 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xsj n GLN 676 N -0.37 0.85 -3.76 0.11 1.13 -1.26 -4.20 117.38 109.89 1xsj n GLN 676 Ca 0.19 -0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 55.05 1xsj n GLN 676 Cb 0.78 -1.30 -0.07 0.00 0.11 0.00 0.00 30.24 29.76 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 -2.71 0.83 0.23 -1.09 1.70 -1.26 -4.70 118.95 111.94 1xsj s ARG 677 Ca -0.05 -0.57 0.21 0.00 -0.47 0.00 0.00 55.73 54.85 1xsj s ARG 677 Cb 0.07 0.35 0.04 0.00 -0.57 0.00 0.00 34.95 34.84 1xsj s ARG 677 CO 0.51 -0.27 1.14 -1.00 -1.08 0.00 0.00 175.30 174.60 1xsj h PRO 678 N 3.13 0.00 -4.23 3.89 0.13 -1.87 -3.44 132.00 129.60 1xsj h PRO 678 Ca -0.32 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.07 1xsj h PRO 678 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 1xsj h PRO 678 CO 0.47 0.09 -0.34 0.16 -0.23 0.00 0.00 178.00 178.15 1xsj s ASP 679 N -5.68 5.83 0.20 1.44 -4.77 -1.26 -4.88 116.67 107.56 1xsj s ASP 679 Ca 0.01 -1.91 -0.02 0.00 -3.30 0.00 0.00 52.55 47.32 1xsj s ASP 679 Cb 0.08 -2.06 0.01 0.00 -1.09 0.00 0.00 42.92 39.86 1xsj s ASP 679 CO 0.77 -0.73 0.30 0.00 0.70 0.00 0.00 175.17 176.21 1xsj n TYR 680 N 4.95 -1.13 -2.52 2.11 4.11 -1.26 -5.04 117.16 118.39 1xsj n TYR 680 Ca -0.09 -1.29 -0.40 0.00 -0.00 0.00 0.00 57.90 56.12 1xsj n TYR 680 Cb 0.41 0.34 -0.03 0.00 -0.00 0.00 0.00 39.34 40.06 1xsj n TYR 680 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1xsj s VAL 681 N -2.63 3.92 0.39 -3.48 1.01 -1.26 -4.82 120.40 113.54 1xsj s VAL 681 Ca 0.15 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1xsj s VAL 681 Cb -0.01 -5.01 0.23 0.00 0.00 0.00 0.00 36.38 31.59 1xsj s VAL 681 CO 0.11 -1.87 2.01 -0.50 0.00 0.00 0.00 175.10 174.84 1xsj h TRP 682 N 9.46 0.48 -0.08 5.22 6.55 -1.97 -2.43 115.95 133.19 1xsj h TRP 682 Ca 0.24 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.08 1xsj h TRP 682 Cb 0.98 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 29.12 1xsj h TRP 682 CO 1.30 0.37 0.00 -2.39 -1.05 0.00 0.00 178.44 176.67 1xsj n HIS 683 N -4.42 0.10 -4.16 0.49 1.44 -1.26 -4.26 115.22 103.15 1xsj n HIS 683 Ca 0.02 -0.05 -0.34 0.00 -2.01 0.00 0.00 57.72 55.34 1xsj n HIS 683 Cb 0.12 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.09 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 -1.90 3.44 -0.08 -1.40 2.02 -0.92 -1.78 118.70 118.09 1xsj s GLU 684 Ca 0.31 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1xsj s GLU 684 Cb 0.15 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1xsj s GLU 684 CO 0.24 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.90 1xsj n GLY 685 N 4.32 0.45 3.77 -1.39 0.00 0.76 -4.68 105.19 108.42 1xsj n GLY 685 Ca -0.18 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 1xsj n GLY 685 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsj n THR 686 N -2.97 2.08 -3.81 2.61 -1.04 -1.26 -4.28 114.28 105.61 1xsj n THR 686 Ca -0.01 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.14 1xsj n THR 686 Cb 0.03 -1.94 -0.13 0.00 -1.82 0.00 0.00 70.33 66.47 1xsj n THR 686 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xsj s ALA 687 N -1.12 2.97 0.26 2.41 0.00 0.63 -1.77 121.76 125.14 1xsj s ALA 687 Ca 0.54 -1.71 -0.16 0.00 0.00 0.00 0.00 51.96 50.63 1xsj s ALA 687 Cb -0.48 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 20.42 1xsj s ALA 687 CO 0.63 -1.25 0.71 -0.06 0.00 0.00 0.00 175.76 175.78 1xsj s PHE 688 N 1.37 3.51 -0.07 0.00 0.08 0.07 -1.12 117.98 121.80 1xsj s PHE 688 Ca -0.02 1.25 -0.00 0.00 0.12 0.00 0.00 56.93 58.28 1xsj s PHE 688 Cb -0.19 -2.54 0.02 0.00 -0.57 0.00 0.00 43.02 39.74 1xsj s PHE 688 CO 0.01 0.23 -0.03 -1.01 -0.10 0.00 0.00 175.22 174.32 1xsj s HIS 689 N -1.74 0.92 -0.20 0.36 3.76 -0.14 -0.49 115.29 117.74 1xsj s HIS 689 Ca 0.48 -0.33 -0.10 0.00 -0.15 0.00 0.00 55.06 54.96 1xsj s HIS 689 Cb -0.13 -0.88 -0.05 0.00 1.11 0.00 0.00 32.58 32.63 1xsj s HIS 689 CO 0.19 -0.33 0.12 -1.17 -0.85 0.00 0.00 174.74 172.70 1xsj s LEU 690 N 1.58 4.12 -0.16 0.89 2.96 -0.00 -1.41 118.68 126.65 1xsj s LEU 690 Ca -0.00 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1xsj s LEU 690 Cb -0.13 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.51 1xsj s LEU 690 CO -0.04 0.16 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.58 1xsj s PHE 691 N 0.48 2.72 -0.32 5.38 0.08 0.07 -1.96 117.98 124.43 1xsj s PHE 691 Ca 0.07 -1.53 -0.13 0.00 0.12 0.00 0.00 56.93 55.46 1xsj s PHE 691 Cb -0.12 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1xsj s PHE 691 CO -0.01 -0.74 0.35 0.09 -0.10 0.00 0.00 175.22 174.82 1xsj n ASN 692 N 4.43 -2.81 -4.60 1.36 3.02 -1.26 -1.71 115.26 113.69 1xsj n ASN 692 Ca -0.21 -0.27 -0.41 0.00 -0.03 0.00 0.00 54.58 53.67 1xsj n ASN 692 Cb 0.51 -0.86 -0.07 0.00 -0.61 0.00 0.00 39.78 38.75 1xsj n ASN 692 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xsj s LEU 693 N -2.23 4.14 0.40 3.41 2.96 -1.26 -0.99 118.68 125.11 1xsj s LEU 693 Ca 0.13 0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 54.32 1xsj s LEU 693 Cb -0.01 -2.76 -0.08 0.00 0.50 0.00 0.00 46.19 43.84 1xsj s LEU 693 CO 0.48 -0.43 0.82 -1.10 -1.32 0.00 0.00 176.35 174.79 1xsj s GLN 694 N 2.52 3.91 0.13 1.98 -0.21 -1.26 -4.99 119.66 121.75 1xsj s GLN 694 Ca 0.24 0.68 -0.35 0.00 0.02 0.00 0.00 55.36 55.95 1xsj s GLN 694 Cb -0.15 -2.33 -0.15 0.00 1.00 0.00 0.00 33.01 31.38 1xsj s GLN 694 CO 0.11 -0.03 1.49 -3.47 -2.12 0.00 0.00 175.29 171.28 1xsj n ASP 695 N -1.03 2.57 0.00 5.90 -0.08 -1.26 -1.80 116.55 120.85 1xsj n ASP 695 Ca 0.04 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.42 1xsj n ASP 695 Cb 0.54 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.66 1xsj n ASP 695 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xsj n GLY 696 N 3.08 0.83 3.71 0.27 0.00 0.95 -5.00 105.19 109.03 1xsj n GLY 696 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.22 2.89 -0.09 1.61 3.76 -0.75 -4.94 115.29 114.56 1xsj s HIS 697 Ca 0.00 -0.14 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 1xsj s HIS 697 Cb 0.00 -1.34 0.01 0.00 1.11 0.00 0.00 32.58 32.36 1xsj s HIS 697 CO 0.00 0.55 -0.16 -2.00 -0.85 0.00 0.00 174.74 172.28 1xsj s GLU 698 N -3.38 2.16 -0.13 1.40 2.12 -1.26 -1.45 118.70 118.15 1xsj s GLU 698 Ca 0.30 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 55.01 1xsj s GLU 698 Cb -0.08 -1.77 -0.04 0.00 0.26 0.00 0.00 34.13 32.50 1xsj s GLU 698 CO 0.21 0.01 0.11 0.00 -0.54 0.00 0.00 175.26 175.06 1xsj s ALA 699 N 0.76 3.75 -0.03 6.30 0.00 0.47 -4.95 121.76 128.05 1xsj s ALA 699 Ca -0.12 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1xsj s ALA 699 Cb -0.16 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 1xsj s ALA 699 CO 0.02 0.55 -0.18 0.08 0.00 0.00 0.00 175.76 176.23 1xsj s VAL 700 N -0.81 1.47 -0.09 0.00 1.01 -1.26 -1.02 120.40 119.70 1xsj s VAL 700 Ca 0.14 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1xsj s VAL 700 Cb -0.12 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1xsj s VAL 700 CO 0.03 0.42 -0.13 0.00 0.00 0.00 0.00 175.10 175.42 1xsj s GLU 702 N 0.87 3.09 -0.15 0.00 2.02 -1.26 -0.81 118.70 122.45 1xsj s GLU 702 Ca -0.10 -0.81 -0.18 0.00 0.02 0.00 0.00 54.97 53.90 1xsj s GLU 702 Cb -0.15 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1xsj s GLU 702 CO 0.01 -0.28 0.50 0.08 0.02 0.00 0.00 175.26 175.59 1xsj s VAL 703 N 1.38 5.15 0.54 2.63 1.01 0.40 -4.84 120.40 126.67 1xsj s VAL 703 Ca 0.03 0.96 -0.08 0.00 0.00 0.00 0.00 61.98 62.89 1xsj s VAL 703 Cb -0.15 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1xsj s VAL 703 CO -0.06 0.26 0.90 -2.16 0.00 0.00 0.00 175.10 174.04 1xsj s PRO 704 N 1.07 3.59 0.72 2.72 0.04 -1.26 -0.54 135.00 141.34 1xsj s PRO 704 Ca 0.25 0.47 -0.03 0.00 0.04 0.00 0.00 61.00 61.73 1xsj s PRO 704 Cb -0.15 -2.24 0.15 0.00 0.04 0.00 0.00 34.50 32.30 1xsj s PRO 704 CO 0.10 -0.36 0.99 0.00 0.04 0.00 0.00 177.00 177.77 1xsj n ALA 705 N -2.41 -0.16 0.28 8.56 0.00 0.25 -4.62 120.51 122.41 1xsj n ALA 705 Ca 0.03 -1.76 0.14 0.00 0.00 0.00 0.00 53.44 51.85 1xsj n ALA 705 Cb 0.55 0.22 0.80 0.00 0.00 0.00 0.00 19.45 21.01 1xsj n ALA 705 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsj h ALA 706 N -0.86 1.30 -0.33 0.00 0.00 -1.94 -1.42 119.26 116.01 1xsj h ALA 706 Ca -0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1xsj h ALA 706 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xsj h ALA 706 CO 0.32 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.27 1xsj n ASP 707 N -3.62 2.21 0.00 0.00 5.68 -1.26 -4.77 116.55 114.78 1xsj n ASP 707 Ca -0.02 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1xsj n ASP 707 Cb 0.20 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 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 1.20 2.66 3.68 6.12 0.00 -0.53 -5.04 105.19 113.28 1xsj n GLY 708 Ca 0.16 0.00 -0.30 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 -1.85 3.12 -0.29 1.61 1.04 -1.26 -4.60 113.70 111.46 1xsj s SER 709 Ca 0.00 1.79 -0.24 0.00 0.48 0.00 0.00 55.95 57.98 1xsj s SER 709 Cb 0.00 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1xsj s SER 709 CO 0.00 -2.91 0.83 -0.69 0.98 0.00 0.00 173.24 171.45 1xsj s VAL 710 N -2.76 4.78 -0.12 5.02 1.01 -1.26 0.85 120.40 127.91 1xsj s VAL 710 Ca 0.65 1.37 0.22 0.00 0.00 0.00 0.00 61.98 64.22 1xsj s VAL 710 Cb -0.20 -4.17 -0.23 0.00 0.00 0.00 0.00 36.38 31.78 1xsj s VAL 710 CO 0.58 -0.22 0.67 0.00 0.00 0.00 0.00 175.10 176.14 1xsj n ILE 711 N 5.48 0.19 -3.64 2.22 3.06 0.30 -4.83 119.36 122.14 1xsj n ILE 711 Ca 0.05 -0.50 -0.12 0.00 -2.50 0.00 0.00 62.75 59.68 1xsj n ILE 711 Cb 0.48 -0.08 -0.07 0.00 0.54 0.00 0.00 39.64 40.50 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 -3.46 -0.86 -0.08 9.51 5.36 -1.14 -0.65 117.98 126.67 1xsj s PHE 712 Ca -0.05 1.94 0.03 0.00 -0.96 0.00 0.00 56.93 57.89 1xsj s PHE 712 Cb 0.13 0.38 0.01 0.00 -0.34 0.00 0.00 43.02 43.20 1xsj s PHE 712 CO 0.87 -0.42 -0.17 0.99 -1.46 0.00 0.00 175.22 175.03 1xsj s THR 713 N 0.79 1.54 -0.10 0.12 2.01 -0.25 -0.45 115.64 119.30 1xsj s THR 713 Ca -0.03 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1xsj s THR 713 Cb -0.05 -1.36 -0.00 0.00 0.01 0.00 0.00 72.50 71.10 1xsj s THR 713 CO -0.06 0.44 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.87 1xsj s LEU 714 N 0.50 2.19 0.00 4.42 2.96 0.01 -1.46 118.68 127.30 1xsj s LEU 714 Ca -0.16 -0.52 0.07 0.00 -0.22 0.00 0.00 54.13 53.30 1xsj s LEU 714 Cb -0.17 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1xsj s LEU 714 CO 0.06 0.16 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.50 1xsj s LYS 715 N 0.32 1.62 -0.19 1.98 1.02 0.67 -0.68 119.74 124.48 1xsj s LYS 715 Ca -0.17 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1xsj s LYS 715 Cb -0.18 -1.62 0.04 0.00 -0.52 0.00 0.00 37.83 35.56 1xsj s LYS 715 CO 0.08 0.44 -0.08 0.00 -0.92 0.00 0.00 175.35 174.86 1xsj s ALA 716 N -0.60 1.81 -0.11 5.17 0.00 -0.19 -0.83 121.76 127.02 1xsj s ALA 716 Ca 0.08 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1xsj s ALA 716 Cb -0.08 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 1xsj s ALA 716 CO 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 175.76 174.78 1xsj s ALA 717 N 1.48 2.50 -0.16 0.00 0.00 -0.50 -0.39 121.76 124.69 1xsj s ALA 717 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1xsj s ALA 717 Cb -0.16 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 1xsj s ALA 717 CO -0.08 0.31 -0.15 0.50 0.00 0.00 0.00 175.76 176.34 1xsj s ARG 718 N 0.17 3.22 -0.08 0.00 3.52 -0.53 -1.01 118.95 124.24 1xsj s ARG 718 Ca -0.09 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 54.78 1xsj s ARG 718 Cb -0.15 -2.64 0.02 0.00 -1.56 0.00 0.00 34.95 30.61 1xsj s ARG 718 CO 0.06 0.00 -0.10 -0.08 -0.81 0.00 0.00 175.30 174.37 1xsj s THR 719 N 0.85 1.03 0.00 4.11 -1.32 -0.46 -0.04 115.64 119.82 1xsj s THR 719 Ca -0.04 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1xsj s THR 719 Cb -0.15 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1xsj s THR 719 CO -0.01 0.34 0.00 0.61 -2.21 0.00 0.00 174.62 173.36 1xsj n GLY 720 N 4.18 3.59 1.51 6.08 0.00 -1.26 -1.32 105.19 117.96 1xsj n GLY 720 Ca -0.20 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 5.59 4.59 -4.51 1.61 4.13 -1.26 -4.75 115.26 120.67 1xsj n ASN 721 Ca 0.00 -2.38 -0.35 0.00 1.68 0.00 0.00 54.58 53.52 1xsj n ASN 721 Cb 0.00 -0.56 -0.12 0.00 -1.54 0.00 0.00 39.78 37.57 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 -1.72 4.37 -0.25 3.41 2.01 -0.44 -1.95 115.64 121.08 1xsj s THR 722 Ca 0.50 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 1xsj s THR 722 Cb 0.31 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.84 1xsj s THR 722 CO 0.25 0.41 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.93 1xsj s ILE 723 N 0.98 3.21 -0.26 1.82 1.01 -0.45 -1.36 121.20 126.16 1xsj s ILE 723 Ca 0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 1xsj s ILE 723 Cb -0.14 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1xsj s ILE 723 CO 0.03 0.26 0.20 -0.89 0.00 0.00 0.00 174.94 174.54 1xsj s THR 724 N 1.41 5.32 -0.23 2.92 2.01 -0.18 -1.26 115.64 125.62 1xsj s THR 724 Ca 0.03 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 1xsj s THR 724 Cb -0.16 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1xsj s THR 724 CO -0.03 0.29 0.04 -0.69 -0.69 0.00 0.00 174.62 173.54 1xsj s VAL 725 N 1.44 4.16 -0.03 3.82 1.01 -0.58 -1.41 120.40 128.81 1xsj s VAL 725 Ca 0.09 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1xsj s VAL 725 Cb -0.15 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1xsj s VAL 725 CO 0.08 0.37 -0.18 0.42 0.00 0.00 0.00 175.10 175.80 1xsj s THR 726 N 1.39 1.42 0.06 3.92 -4.23 -0.01 -1.43 115.64 116.76 1xsj s THR 726 Ca 0.05 -0.74 0.09 0.00 -1.18 0.00 0.00 61.69 59.91 1xsj s THR 726 Cb -0.15 -1.20 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 1xsj s THR 726 CO 0.02 0.41 -0.24 -0.83 -0.54 0.00 0.00 174.62 173.44 1xsj s GLY 727 N -0.18 1.33 -0.12 3.99 0.00 0.84 -0.24 107.32 112.93 1xsj s GLY 727 Ca 0.01 -1.24 -0.08 0.00 0.00 0.00 0.00 44.72 43.42 1xsj s GLY 727 CO 0.01 -1.16 0.30 0.00 0.00 0.00 0.00 173.10 172.25 1xsj s ALA 728 N -0.88 -0.73 0.00 3.20 0.00 -0.53 -4.80 121.76 118.01 1xsj s ALA 728 Ca 0.10 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1xsj s ALA 728 Cb -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1xsj s ALA 728 CO 0.03 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1xsj n GLY 729 N 3.80 0.26 3.19 0.00 0.00 -1.26 -1.09 105.19 110.10 1xsj n GLY 729 Ca -0.21 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.35 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 2.46 0.00 1.61 2.12 0.17 -4.96 118.70 120.11 1xsj s GLU 730 Ca 0.00 -1.27 -0.13 0.00 0.36 0.00 0.00 54.97 53.93 1xsj s GLU 730 Cb 0.00 -3.26 0.02 0.00 0.26 0.00 0.00 34.13 31.14 1xsj s GLU 730 CO 0.00 -0.65 0.27 0.00 -0.54 0.00 0.00 175.26 174.34 1xsj s ALA 731 N 1.28 -0.64 0.02 6.30 0.00 -1.26 -4.47 121.76 122.98 1xsj s ALA 731 Ca -0.04 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1xsj s ALA 731 Cb -0.20 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1xsj s ALA 731 CO -0.00 -0.29 -0.06 0.15 0.00 0.00 0.00 175.76 175.56 1xsj s LYS 732 N -1.66 0.43 -1.43 0.00 3.01 -0.73 -4.91 119.74 114.45 1xsj s LYS 732 Ca -0.12 -0.41 -0.08 0.00 -1.01 0.00 0.00 55.97 54.35 1xsj s LYS 732 Cb -0.05 -0.31 0.04 0.00 -1.01 0.00 0.00 37.83 36.51 1xsj s LYS 732 CO 0.02 0.07 0.88 0.09 0.51 0.00 0.00 175.35 176.93 1xsj n ASN 733 N 2.32 -3.39 -4.96 2.83 5.03 -1.26 -0.17 115.26 115.66 1xsj n ASN 733 Ca -0.17 -0.78 -0.23 0.00 0.87 0.00 0.00 54.58 54.27 1xsj n ASN 733 Cb 0.57 -4.05 -0.02 0.00 -1.02 0.00 0.00 39.78 35.25 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 -3.45 3.47 0.33 3.10 1.48 -1.26 -3.28 118.94 119.32 1xsj s TRP 734 Ca 0.38 0.10 0.05 0.00 -1.06 0.00 0.00 56.10 55.56 1xsj s TRP 734 Cb -0.19 -1.66 -0.06 0.00 -1.16 0.00 0.00 33.47 30.39 1xsj s TRP 734 CO 0.81 0.41 0.04 0.95 -4.06 0.00 0.00 176.95 175.10 1xsj s THR 735 N -1.96 1.34 -0.09 0.66 -4.23 -0.73 -4.39 115.64 106.24 1xsj s THR 735 Ca 0.35 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1xsj s THR 735 Cb -0.10 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.01 1xsj s THR 735 CO 0.30 -0.05 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.10 1xsj s LEU 736 N -3.50 0.75 -0.22 4.79 1.98 -0.58 -0.75 118.68 121.13 1xsj s LEU 736 Ca 0.35 -0.18 -0.11 0.00 -2.89 0.00 0.00 54.13 51.30 1xsj s LEU 736 Cb 0.08 -0.53 -0.05 0.00 0.66 0.00 0.00 46.19 46.35 1xsj s LEU 736 CO 0.15 -0.19 0.18 0.00 -1.89 0.00 0.00 176.35 174.61 1xsj s LEU 738 N 0.84 4.97 0.15 0.00 1.43 0.79 -0.82 118.68 126.04 1xsj s LEU 738 Ca 0.09 -2.10 -0.34 0.00 -1.03 0.00 0.00 54.13 50.75 1xsj s LEU 738 Cb -0.13 -2.41 -0.14 0.00 0.03 0.00 0.00 46.19 43.54 1xsj s LEU 738 CO 0.03 -1.06 1.51 0.54 0.23 0.00 0.00 176.35 177.60 1xsj n ARG 739 N 6.60 1.91 -1.56 1.70 5.12 -0.83 -1.54 116.66 128.07 1xsj n ARG 739 Ca 0.26 0.69 -0.18 0.00 -1.93 0.00 0.00 57.85 56.69 1xsj n ARG 739 Cb 0.49 -2.42 -0.07 0.00 -1.16 0.00 0.00 32.46 29.30 1xsj n ARG 739 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xsj n ASN 740 N 3.10 -5.15 -4.22 0.55 3.02 -0.36 -4.72 115.26 107.48 1xsj n ASN 740 Ca 0.17 0.42 -0.35 0.00 -0.03 0.00 0.00 54.58 54.79 1xsj n ASN 740 Cb 0.27 -4.22 -0.14 0.00 -0.61 0.00 0.00 39.78 35.08 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 -2.67 3.14 -0.05 2.41 1.01 -0.59 -4.97 120.40 118.68 1xsj s VAL 741 Ca 0.00 -1.07 0.13 0.00 0.00 0.00 0.00 61.98 61.04 1xsj s VAL 741 Cb 0.00 -2.67 -0.23 0.00 0.00 0.00 0.00 36.38 33.49 1xsj s VAL 741 CO 0.00 0.08 0.66 1.33 0.00 0.00 0.00 175.10 177.17 1xsj n VAL 742 N 4.70 1.59 -3.74 2.92 0.24 -1.26 0.02 118.33 122.80 1xsj n VAL 742 Ca -0.15 -0.79 -0.12 0.00 -2.04 0.00 0.00 64.34 61.23 1xsj n VAL 742 Cb 0.46 -1.02 -0.12 0.00 -1.47 0.00 0.00 33.84 31.70 1xsj n VAL 742 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1xsj s LYS 743 N -2.61 0.31 0.17 7.34 2.20 -1.26 -4.77 119.74 121.12 1xsj s LYS 743 Ca -0.05 0.51 0.07 0.00 -0.36 0.00 0.00 55.97 56.15 1xsj s LYS 743 Cb 0.08 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1xsj s LYS 743 CO 0.82 -0.10 -0.02 0.54 -0.36 0.00 0.00 175.35 176.24 1xsj s VAL 744 N 0.72 3.63 -0.02 4.02 0.11 -1.26 -4.42 120.40 123.17 1xsj s VAL 744 Ca -0.05 -1.45 -0.26 0.00 -2.93 0.00 0.00 61.98 57.30 1xsj s VAL 744 Cb -0.06 -2.82 -0.20 0.00 -1.53 0.00 0.00 36.38 31.77 1xsj s VAL 744 CO -0.05 -0.10 1.26 -1.13 -3.33 0.00 0.00 175.10 171.75 1xsj h ASN 745 N 2.78 0.00 -5.30 3.54 -1.24 -0.77 -3.45 115.58 111.15 1xsj h ASN 745 Ca -0.47 -0.50 -0.09 0.00 0.71 0.00 0.00 56.30 55.95 1xsj h ASN 745 Cb 1.20 -0.00 -0.10 0.00 0.73 0.00 0.00 38.32 40.15 1xsj h ASN 745 CO 0.57 0.50 -0.19 -0.83 -1.29 0.00 0.00 177.43 176.19 1xsj s GLY 746 N -3.20 0.69 -0.28 1.57 0.00 -0.71 -4.98 107.32 100.41 1xsj s GLY 746 Ca -0.16 -1.01 -0.06 0.00 0.00 0.00 0.00 44.72 43.49 1xsj s GLY 746 CO 0.68 -0.75 0.57 -2.27 0.00 0.00 0.00 173.10 171.33 1xsj s LEU 747 N -3.05 -1.09 -0.29 0.66 0.20 -1.26 -1.14 118.68 112.71 1xsj s LEU 747 Ca 0.25 1.10 -0.08 0.00 0.69 0.00 0.00 54.13 56.10 1xsj s LEU 747 Cb 0.00 1.98 -0.00 0.00 -0.43 0.00 0.00 46.19 47.74 1xsj s LEU 747 CO 0.10 -0.24 0.09 -1.58 -0.29 0.00 0.00 176.35 174.43 1xsj s GLN 748 N 2.80 3.26 0.00 1.98 0.74 -0.08 -4.65 119.66 123.71 1xsj s GLN 748 Ca 0.06 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.72 1xsj s GLN 748 Cb -0.13 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.57 1xsj s GLN 748 CO -0.18 -0.38 0.00 -0.25 -0.55 0.00 0.00 175.29 173.92 1xsj n ASP 749 N 4.90 -1.15 -3.68 6.67 8.00 -1.26 -1.45 116.55 128.57 1xsj n ASP 749 Ca -0.15 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.26 1xsj n ASP 749 Cb 0.49 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1xsj n ASP 749 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xsj s GLY 750 N -2.87 -0.24 0.40 0.44 0.00 -1.26 -1.33 107.32 102.46 1xsj s GLY 750 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 44.72 44.75 1xsj s GLY 750 CO 0.00 -0.09 0.32 -1.35 0.00 0.00 0.00 173.10 171.98 1xsj s SER 751 N -2.85 4.98 0.03 1.64 1.04 0.41 -4.91 113.70 114.04 1xsj s SER 751 Ca 0.07 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1xsj s SER 751 Cb -0.03 -0.63 -0.02 0.00 0.10 0.00 0.00 66.02 65.45 1xsj s SER 751 CO -0.03 -0.57 -0.09 0.00 0.98 0.00 0.00 173.24 173.53 1xsj s GLN 752 N -4.06 0.63 -0.04 4.02 -2.07 -1.26 -0.46 119.66 116.43 1xsj s GLN 752 Ca 0.45 -0.59 -0.09 0.00 -1.82 0.00 0.00 55.36 53.31 1xsj s GLN 752 Cb -0.03 -0.54 0.02 0.00 -1.09 0.00 0.00 33.01 31.37 1xsj s GLN 752 CO 0.27 0.13 0.22 0.00 -1.32 0.00 0.00 175.29 174.58 1xsj s ALA 753 N -0.83 -0.54 0.61 2.60 0.00 -0.54 -5.01 121.76 118.05 1xsj s ALA 753 Ca -0.03 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.06 1xsj s ALA 753 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1xsj s ALA 753 CO 0.00 -0.18 1.14 -1.21 0.00 0.00 0.00 175.76 175.51 1xsj s GLU 754 N -0.77 2.96 0.08 0.00 2.02 -1.26 -0.90 118.70 120.84 1xsj s GLU 754 Ca -0.09 1.57 -0.08 0.00 0.02 0.00 0.00 54.97 56.39 1xsj s GLU 754 Cb -0.05 -1.96 -0.01 0.00 0.10 0.00 0.00 34.13 32.22 1xsj s GLU 754 CO 0.02 -1.15 0.17 -1.54 0.02 0.00 0.00 175.26 172.77 1xsj s SER 755 N -2.09 0.16 0.36 -0.19 1.04 -1.12 -4.75 113.70 107.11 1xsj s SER 755 Ca 0.71 -0.69 0.11 0.00 0.48 0.00 0.00 55.95 56.57 1xsj s SER 755 Cb -0.24 0.33 0.89 0.00 0.10 0.00 0.00 66.02 67.10 1xsj s SER 755 CO 0.35 -0.72 1.81 -0.33 0.98 0.00 0.00 173.24 175.34 1xsj h GLU 756 N 2.79 0.59 -0.00 4.02 5.08 -2.01 -1.51 114.58 123.54 1xsj h GLU 756 Ca -0.34 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1xsj h GLU 756 Cb 1.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1xsj h GLU 756 CO 0.57 0.39 -0.14 1.04 -1.00 0.00 0.00 179.01 179.87 1xsj n GLN 757 N -4.64 0.44 0.00 2.33 6.02 -1.26 -4.95 117.38 115.32 1xsj n GLN 757 Ca 0.21 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1xsj n GLN 757 Cb 0.63 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1xsj n GLN 757 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsj n GLY 758 N 1.35 1.90 3.69 1.08 0.00 -0.57 -1.22 105.19 111.42 1xsj n GLY 758 Ca 0.12 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 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 4.40 -0.22 0.99 2.96 0.10 -2.78 118.68 124.13 1xsj s LEU 759 Ca 0.00 2.73 -0.11 0.00 -0.22 0.00 0.00 54.13 56.53 1xsj s LEU 759 Cb 0.00 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 1xsj s LEU 759 CO 0.00 -1.00 0.19 -0.69 -1.32 0.00 0.00 176.35 173.52 1xsj s VAL 760 N 2.94 5.35 -0.17 1.68 1.01 -0.08 -0.15 120.40 131.00 1xsj s VAL 760 Ca 0.81 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 1xsj s VAL 760 Cb -0.45 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1xsj s VAL 760 CO 0.37 0.37 -0.05 -0.69 0.00 0.00 0.00 175.10 175.09 1xsj s VAL 761 N 0.83 3.66 -0.26 2.92 1.01 0.13 -1.47 120.40 127.23 1xsj s VAL 761 Ca 0.09 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1xsj s VAL 761 Cb -0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1xsj s VAL 761 CO 0.03 0.48 0.15 -0.75 0.00 0.00 0.00 175.10 175.01 1xsj s LYS 762 N 0.60 3.89 0.31 2.72 2.47 0.40 -1.53 119.74 128.59 1xsj s LYS 762 Ca -0.03 -0.36 -0.29 0.00 -1.56 0.00 0.00 55.97 53.73 1xsj s LYS 762 Cb -0.15 -3.54 -0.10 0.00 -1.46 0.00 0.00 37.83 32.58 1xsj s LYS 762 CO 0.03 -0.14 1.22 -1.25 0.16 0.00 0.00 175.35 175.36 1xsj s PRO 763 N 1.60 4.46 0.00 4.03 0.04 -1.26 -0.44 135.00 143.42 1xsj s PRO 763 Ca 0.07 2.04 0.22 0.00 0.04 0.00 0.00 61.00 63.37 1xsj s PRO 763 Cb -0.15 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1xsj s PRO 763 CO 0.08 -0.03 1.04 1.04 0.04 0.00 0.00 177.00 179.17 1xsj n GLN 764 N 0.93 0.04 -3.84 4.56 1.13 -0.44 -4.88 117.38 114.88 1xsj n GLN 764 Ca -0.00 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1xsj n GLN 764 Cb 0.43 -1.51 0.01 0.00 0.11 0.00 0.00 30.24 29.28 1xsj n GLN 764 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1xsj s GLY 765 N -3.08 -0.15 0.00 1.08 0.00 -1.26 -5.04 107.32 98.87 1xsj s GLY 765 Ca 0.08 0.12 0.12 0.00 0.00 0.00 0.00 44.72 45.03 1xsj s GLY 765 CO 0.82 2.71 1.15 0.70 0.00 0.00 0.00 173.10 178.49 1xsj n ASN 766 N -0.90 0.00 -3.72 1.64 4.13 -1.26 -4.56 115.26 110.59 1xsj n ASN 766 Ca -0.02 -0.31 -0.17 0.00 1.68 0.00 0.00 54.58 55.76 1xsj n ASN 766 Cb 0.60 -0.03 -0.16 0.00 -1.54 0.00 0.00 39.78 38.64 1xsj n ASN 766 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xsj s ALA 767 N -2.07 0.04 0.10 5.41 0.00 -1.26 -0.12 121.76 123.86 1xsj s ALA 767 Ca 0.17 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.53 1xsj s ALA 767 Cb 0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1xsj s ALA 767 CO 0.14 -0.30 -0.09 -0.51 0.00 0.00 0.00 175.76 175.00 1xsj s LEU 768 N 1.62 2.43 -0.03 0.00 1.02 -0.52 -4.80 118.68 118.40 1xsj s LEU 768 Ca -0.03 -0.86 -0.02 0.00 0.02 0.00 0.00 54.13 53.24 1xsj s LEU 768 Cb -0.12 -0.23 0.02 0.00 0.02 0.00 0.00 46.19 45.88 1xsj s LEU 768 CO -0.04 -0.32 0.08 0.28 0.02 0.00 0.00 176.35 176.37 1xsj s THR 769 N -2.75 -0.02 -0.06 5.49 -1.32 -0.53 -1.52 115.64 114.92 1xsj s THR 769 Ca 0.07 0.09 0.06 0.00 -1.21 0.00 0.00 61.69 60.69 1xsj s THR 769 Cb -0.01 -0.13 -0.01 0.00 -1.51 0.00 0.00 72.50 70.84 1xsj s THR 769 CO -0.01 0.04 -0.25 -0.63 -2.21 0.00 0.00 174.62 171.56 1xsj s ILE 770 N 0.52 2.04 -0.29 5.08 1.01 -0.39 -0.90 121.20 128.28 1xsj s ILE 770 Ca -0.04 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 59.53 1xsj s ILE 770 Cb -0.06 -1.73 0.04 0.00 0.01 0.00 0.00 42.46 40.72 1xsj s ILE 770 CO -0.02 0.56 -0.01 -0.89 0.00 0.00 0.00 174.94 174.59 1xsj s THR 771 N -0.07 3.10 0.67 2.92 2.01 -0.29 -1.34 115.64 122.64 1xsj s THR 771 Ca -0.06 -1.18 -0.14 0.00 0.31 0.00 0.00 61.69 60.62 1xsj s THR 771 Cb -0.14 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1xsj s THR 771 CO 0.05 0.01 1.08 -0.76 -0.69 0.00 0.00 174.62 174.31 1xsj s LEU 772 N 1.31 3.31 0.00 4.42 1.43 -0.82 -0.20 118.68 128.14 1xsj s LEU 772 Ca -0.02 1.86 0.09 0.00 -1.03 0.00 0.00 54.13 55.03 1xsj s LEU 772 Cb -0.18 -4.53 0.55 0.00 0.03 0.00 0.00 46.19 42.06 1xsj s LEU 772 CO -0.02 -1.55 1.00 0.00 0.23 0.00 0.00 176.35 176.01