#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 0.04 2.12 -0.14 -1.26 -4.89 119.74 120.02 1xsj s LYS 2 Ca 0.00 1.57 -0.01 0.00 -1.36 0.00 0.00 55.97 56.17 1xsj s LYS 2 Cb 0.00 -3.51 -0.00 0.00 -1.68 0.00 0.00 37.83 32.64 1xsj s LYS 2 CO 0.00 -0.32 -0.01 -0.89 -0.76 0.00 0.00 175.35 173.37 1xsj n ILE 3 N 4.39 0.60 -1.81 2.17 5.41 -1.26 -4.88 119.36 123.98 1xsj n ILE 3 Ca 0.09 0.18 -0.31 0.00 1.00 0.00 0.00 62.75 63.71 1xsj n ILE 3 Cb 0.48 -1.56 0.04 0.00 -0.71 0.00 0.00 39.64 37.88 1xsj n ILE 3 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xsj s SER 4 N -5.50 5.62 -0.57 4.38 1.04 -1.26 -1.52 113.70 115.88 1xsj s SER 4 Ca -0.01 1.31 0.04 0.00 0.48 0.00 0.00 55.95 57.77 1xsj s SER 4 Cb 0.00 -2.20 0.16 0.00 0.10 0.00 0.00 66.02 64.08 1xsj s SER 4 CO 0.02 -1.25 0.39 -0.62 0.98 0.00 0.00 173.24 172.76 1xsj s ASP 5 N -4.18 3.76 0.53 7.02 2.15 -0.36 -4.32 116.67 121.27 1xsj s ASP 5 Ca 0.57 -3.37 0.00 0.00 0.43 0.00 0.00 52.55 50.19 1xsj s ASP 5 Cb -0.12 -1.24 0.00 0.00 -0.30 0.00 0.00 42.92 41.26 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 2.57 -1.51 0.23 2.66 0.00 -1.26 -3.00 105.19 104.89 1xsj n GLY 6 Ca 0.19 -1.19 0.04 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.15 0.09 0.00 1.61 -1.24 -1.96 -3.35 115.58 110.58 1xsj h ASN 7 Ca 0.00 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 1xsj h ASN 7 Cb 0.15 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1xsj h ASN 7 CO 0.00 0.24 -1.82 0.79 -1.29 0.00 0.00 177.43 175.36 1xsj n TRP 8 N -4.32 0.00 -4.68 0.67 7.02 -1.26 -5.01 117.44 109.85 1xsj n TRP 8 Ca -0.02 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.16 1xsj n TRP 8 Cb 0.24 -0.43 -0.08 0.00 -2.42 0.00 0.00 31.31 28.62 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 -4.29 2.16 0.03 -0.99 1.43 -1.16 -5.04 118.68 110.82 1xsj s LEU 9 Ca -0.06 -1.69 0.06 0.00 -1.03 0.00 0.00 54.13 51.41 1xsj s LEU 9 Cb 0.10 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.81 1xsj s LEU 9 CO 0.71 -0.91 -0.17 -0.63 0.23 0.00 0.00 176.35 175.59 1xsj s ILE 10 N -3.00 1.34 0.16 -0.59 1.01 -1.26 -1.23 121.20 117.65 1xsj s ILE 10 Ca 0.11 -1.03 -0.33 0.00 0.00 0.00 0.00 60.65 59.40 1xsj s ILE 10 Cb 0.01 -1.18 -0.16 0.00 0.01 0.00 0.00 42.46 41.14 1xsj s ILE 10 CO 0.07 0.13 1.11 0.00 0.00 0.00 0.00 174.94 176.25 1xsj n GLN 11 N 2.00 1.01 -1.71 2.79 1.13 -0.58 -4.62 117.38 117.40 1xsj n GLN 11 Ca -0.17 0.36 -0.43 0.00 -1.94 0.00 0.00 57.00 54.82 1xsj n GLN 11 Cb 0.54 -1.82 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 1xsj n GLN 11 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1xsj n PRO 12 N 1.66 2.55 -0.13 -1.09 -0.02 -1.26 -2.27 135.00 134.43 1xsj n PRO 12 Ca 0.15 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1xsj n PRO 12 Cb 0.24 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.00 1xsj n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xsj n GLY 13 N 3.42 1.19 3.73 -1.23 0.00 -1.26 -4.88 105.19 106.15 1xsj n GLY 13 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1xsj n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsj s LEU 14 N 0.00 4.24 -0.17 0.99 1.43 -0.96 -1.80 118.68 122.40 1xsj s LEU 14 Ca 0.00 0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1xsj s LEU 14 Cb 0.00 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 1xsj s LEU 14 CO 0.00 0.11 -0.05 0.20 0.23 0.00 0.00 176.35 176.84 1xsj s ASN 15 N 0.46 4.60 -0.05 2.29 0.01 0.27 -4.90 114.94 117.61 1xsj s ASN 15 Ca 0.15 -0.21 0.04 0.00 -0.71 0.00 0.00 52.86 52.13 1xsj s ASN 15 Cb -0.13 -1.75 -0.02 0.00 0.41 0.00 0.00 41.25 39.76 1xsj s ASN 15 CO 0.03 0.13 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.81 1xsj s LEU 16 N 0.61 2.55 0.08 0.60 1.43 -1.26 -0.49 118.68 122.19 1xsj s LEU 16 Ca -0.03 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1xsj s LEU 16 Cb -0.15 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1xsj s LEU 16 CO 0.03 0.32 -0.14 0.27 0.23 0.00 0.00 176.35 177.05 1xsj s ILE 17 N -0.56 1.14 0.02 -0.59 -4.36 -0.89 -5.01 121.20 110.95 1xsj s ILE 17 Ca 0.08 -1.38 0.01 0.00 -0.26 0.00 0.00 60.65 59.10 1xsj s ILE 17 Cb -0.11 -1.16 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 1xsj s ILE 17 CO 0.01 -0.27 -0.05 -1.00 0.24 0.00 0.00 174.94 173.87 1xsj s HIS 18 N -1.45 0.43 -0.11 1.37 3.76 -1.26 -1.19 115.29 116.84 1xsj s HIS 18 Ca -0.00 -0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 54.32 1xsj s HIS 18 Cb -0.09 -0.27 -0.04 0.00 1.11 0.00 0.00 32.58 33.29 1xsj s HIS 18 CO 0.02 -0.07 1.56 -1.25 -0.85 0.00 0.00 174.74 174.15 1xsj s PRO 19 N -0.86 4.12 0.00 8.40 0.04 -1.26 -3.79 135.00 141.65 1xsj s PRO 19 Ca -0.06 1.97 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1xsj s PRO 19 Cb -0.06 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1xsj s PRO 19 CO -0.00 -0.90 0.00 1.28 0.04 0.00 0.00 177.00 177.42 1xsj n LEU 20 N 7.26 0.00 -3.66 -3.56 4.77 0.24 -4.59 117.00 117.46 1xsj n LEU 20 Ca 0.17 -0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 55.78 1xsj n LEU 20 Cb 0.44 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1xsj n LEU 20 CO 0.61 0.00 0.19 -1.58 -1.33 0.00 0.00 177.39 175.29 1xsj s GLN 21 N -1.00 0.53 0.10 3.23 0.74 -0.97 -4.26 119.66 118.03 1xsj s GLN 21 Ca 0.00 1.09 -0.31 0.00 0.05 0.00 0.00 55.36 56.19 1xsj s GLN 21 Cb 0.00 0.22 -0.09 0.00 1.10 0.00 0.00 33.01 34.24 1xsj s GLN 21 CO 0.00 -0.17 1.67 0.08 -0.55 0.00 0.00 175.29 176.31 1xsj s VAL 22 N 1.89 2.83 -0.24 1.34 1.01 -1.26 -1.41 120.40 124.55 1xsj s VAL 22 Ca -0.08 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 1xsj s VAL 22 Cb -0.08 -3.25 -0.17 0.00 0.00 0.00 0.00 36.38 32.88 1xsj s VAL 22 CO -0.16 0.01 -0.15 0.33 0.00 0.00 0.00 175.10 175.12 1xsj n PHE 23 N 5.23 0.27 -3.62 5.22 7.35 0.58 -4.75 117.46 127.74 1xsj n PHE 23 Ca 0.16 0.08 -0.16 0.00 -0.76 0.00 0.00 57.45 56.77 1xsj n PHE 23 Cb 0.39 -1.03 -0.07 0.00 0.35 0.00 0.00 39.48 39.12 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 -2.51 0.88 -0.04 -4.13 2.12 -1.17 -5.00 118.70 108.86 1xsj s GLU 24 Ca -0.34 0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.15 1xsj s GLU 24 Cb 0.10 0.41 -0.00 0.00 0.26 0.00 0.00 34.13 34.90 1xsj s GLU 24 CO 0.58 -0.26 -0.16 0.08 -0.54 0.00 0.00 175.26 174.96 1xsj s VAL 25 N -1.15 1.33 -0.02 3.70 1.01 -1.26 -0.67 120.40 123.35 1xsj s VAL 25 Ca -0.11 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1xsj s VAL 25 Cb -0.02 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.23 1xsj s VAL 25 CO 0.07 0.39 -0.02 -0.70 0.00 0.00 0.00 175.10 174.84 1xsj s GLU 26 N -0.02 0.28 -0.20 2.72 2.12 0.36 -4.99 118.70 118.97 1xsj s GLU 26 Ca -0.02 -0.03 -0.17 0.00 0.36 0.00 0.00 54.97 55.11 1xsj s GLU 26 Cb -0.10 -0.36 -0.03 0.00 0.26 0.00 0.00 34.13 33.89 1xsj s GLU 26 CO 0.01 -0.03 0.47 -1.14 -0.54 0.00 0.00 175.26 174.04 1xsj s GLN 27 N 0.43 4.18 -0.52 4.30 0.74 -1.26 -0.26 119.66 127.27 1xsj s GLN 27 Ca -0.04 0.33 0.02 0.00 0.05 0.00 0.00 55.36 55.72 1xsj s GLN 27 Cb -0.07 -3.55 0.13 0.00 1.10 0.00 0.00 33.01 30.62 1xsj s GLN 27 CO -0.01 -0.11 0.29 -0.65 -0.55 0.00 0.00 175.29 174.26 1xsj s GLN 28 N 1.51 2.09 4.21 1.67 -0.21 0.12 -5.00 119.66 124.06 1xsj s GLN 28 Ca 0.22 -2.48 0.00 0.00 0.02 0.00 0.00 55.36 53.12 1xsj s GLN 28 Cb -0.15 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.42 1xsj s GLN 28 CO 0.09 -1.11 0.00 -3.47 -2.12 0.00 0.00 175.29 168.68 1xsj n ASP 29 N 3.41 0.00 -1.51 5.90 2.03 -1.26 -1.44 116.55 123.68 1xsj n ASP 29 Ca 0.05 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.44 1xsj n ASP 29 Cb 0.35 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.10 1xsj n ASP 29 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1xsj n ASN 30 N 9.21 4.94 -4.25 1.67 6.94 -1.26 -4.95 115.26 127.56 1xsj n ASN 30 Ca 0.00 -2.82 -0.23 0.00 -0.02 0.00 0.00 54.58 51.51 1xsj n ASN 30 Cb 0.00 -0.61 -0.13 0.00 -2.36 0.00 0.00 39.78 36.68 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 -2.52 1.15 -0.16 -3.83 2.02 -0.52 -4.67 118.70 110.18 1xsj s GLU 31 Ca 0.49 -1.03 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 1xsj s GLU 31 Cb 0.37 -1.32 -0.00 0.00 0.10 0.00 0.00 34.13 33.27 1xsj s GLU 31 CO 0.16 0.32 -0.14 1.41 0.02 0.00 0.00 175.26 177.02 1xsj s MET 32 N -1.59 3.25 -0.18 1.61 -2.45 -0.22 -0.71 119.30 119.02 1xsj s MET 32 Ca 0.05 -0.73 -0.05 0.00 -1.25 0.00 0.00 55.69 53.71 1xsj s MET 32 Cb -0.09 -2.65 -0.03 0.00 1.25 0.00 0.00 34.83 33.30 1xsj s MET 32 CO 0.03 0.03 0.00 0.08 1.05 0.00 0.00 175.02 176.21 1xsj s VAL 33 N 0.80 4.15 -0.17 10.11 1.01 0.64 -0.71 120.40 136.23 1xsj s VAL 33 Ca -0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1xsj s VAL 33 Cb -0.15 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1xsj s VAL 33 CO 0.00 0.46 -0.15 -0.69 0.00 0.00 0.00 175.10 174.72 1xsj s VAL 34 N 0.64 2.62 -0.14 2.92 1.01 0.81 -0.49 120.40 127.76 1xsj s VAL 34 Ca -0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 1xsj s VAL 34 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1xsj s VAL 34 CO 0.02 0.51 0.46 -0.31 0.00 0.00 0.00 175.10 175.78 1xsj s TYR 35 N 0.98 3.47 -0.05 5.22 2.02 0.15 -0.56 117.35 128.59 1xsj s TYR 35 Ca -0.02 0.82 0.01 0.00 -0.37 0.00 0.00 57.07 57.50 1xsj s TYR 35 Cb -0.15 -2.55 0.02 0.00 -0.40 0.00 0.00 41.96 38.88 1xsj s TYR 35 CO -0.03 0.11 -0.04 0.00 -1.57 0.00 0.00 175.55 174.02 1xsj s ALA 36 N 0.85 0.71 0.14 3.71 0.00 0.28 -0.30 121.76 127.15 1xsj s ALA 36 Ca 0.24 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 52.04 1xsj s ALA 36 Cb -0.15 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 1xsj s ALA 36 CO 0.09 -0.05 0.44 0.00 0.00 0.00 0.00 175.76 176.24 1xsj s ALA 37 N 0.99 3.70 -2.01 0.00 0.00 -0.50 -0.60 121.76 123.34 1xsj s ALA 37 Ca -0.10 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.52 1xsj s ALA 37 Cb -0.14 -2.27 0.22 0.00 0.00 0.00 0.00 23.12 20.92 1xsj s ALA 37 CO -0.00 0.58 1.17 -0.35 0.00 0.00 0.00 175.76 177.16 1xsj n PRO 38 N 0.34 1.37 -3.83 0.00 -0.04 -1.25 -0.59 135.00 131.00 1xsj n PRO 38 Ca -0.04 -0.57 -0.08 0.00 -0.04 0.00 0.00 63.50 62.77 1xsj n PRO 38 Cb 0.52 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.80 2.04 -0.13 0.54 1.70 -1.26 -4.76 118.95 115.28 1xsj s ARG 39 Ca 0.12 -1.25 -0.29 0.00 -0.47 0.00 0.00 55.73 53.84 1xsj s ARG 39 Cb 0.06 0.62 -0.05 0.00 -0.57 0.00 0.00 34.95 35.02 1xsj s ARG 39 CO 0.09 -0.95 1.77 0.34 -1.08 0.00 0.00 175.30 175.47 1xsj s ASP 40 N -3.01 6.33 -0.19 -2.89 2.15 -1.26 -4.74 116.67 113.07 1xsj s ASP 40 Ca 0.14 1.99 0.13 0.00 0.43 0.00 0.00 52.55 55.24 1xsj s ASP 40 Cb -0.05 -2.53 0.38 0.00 -0.30 0.00 0.00 42.92 40.42 1xsj s ASP 40 CO 0.10 -1.24 1.20 1.33 -0.17 0.00 0.00 175.17 176.39 1xsj n VAL 41 N 6.22 2.10 -0.28 1.11 0.24 -1.26 -4.75 118.33 121.72 1xsj n VAL 41 Ca 0.20 -2.96 -0.03 0.00 -2.04 0.00 0.00 64.34 59.52 1xsj n VAL 41 Cb 0.44 -0.23 0.15 0.00 -1.47 0.00 0.00 33.84 32.72 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 0.72 1.13 -6.05 7.34 3.08 -1.96 -3.43 114.38 115.22 1xsj h ARG 42 Ca -0.00 -0.13 -0.60 0.00 0.07 0.00 0.00 59.98 59.32 1xsj h ARG 42 Cb 1.01 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.78 1xsj h ARG 42 CO 0.00 0.83 -0.16 -1.21 -1.07 0.00 0.00 179.97 178.36 1xsj s GLU 43 N -5.75 4.01 0.48 0.04 2.02 -1.26 -4.98 118.70 113.26 1xsj s GLU 43 Ca -0.12 0.49 0.17 0.00 0.02 0.00 0.00 54.97 55.54 1xsj s GLU 43 Cb 0.17 -3.24 1.19 0.00 0.10 0.00 0.00 34.13 32.35 1xsj s GLU 43 CO 0.81 0.64 2.04 0.00 0.02 0.00 0.00 175.26 178.77 1xsj h ARG 44 N 4.80 0.18 -0.00 1.61 3.08 -1.99 -1.08 114.38 120.98 1xsj h ARG 44 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1xsj h ARG 44 Cb 1.22 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1xsj h ARG 44 CO 0.63 0.12 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 1xsj h THR 45 N 0.19 0.26 -0.02 2.04 1.03 -1.94 0.26 112.91 114.73 1xsj h THR 45 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.58 1xsj h THR 45 Cb 0.49 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.57 1xsj h THR 45 CO -0.03 0.00 -0.22 0.79 -0.01 0.00 0.00 175.52 176.05 1xsj n TRP 46 N -3.46 0.00 -0.92 0.00 7.02 -0.41 -4.53 117.44 115.14 1xsj n TRP 46 Ca -0.03 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.33 1xsj n TRP 46 Cb 0.08 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.92 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 0.66 1.73 -3.75 -0.99 6.02 0.08 -4.78 117.38 116.35 1xsj n GLN 47 Ca 0.11 -1.10 -0.03 0.00 -0.01 0.00 0.00 57.00 55.97 1xsj n GLN 47 Cb 0.51 -1.64 -0.01 0.00 1.02 0.00 0.00 30.24 30.13 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 -0.87 -0.17 -1.39 1.08 0.05 -1.26 -4.99 118.68 111.13 1xsj s LEU 48 Ca 0.37 -0.40 -0.02 0.00 0.05 0.00 0.00 54.13 54.13 1xsj s LEU 48 Cb 0.22 2.12 0.01 0.00 -2.05 0.00 0.00 46.19 46.49 1xsj s LEU 48 CO -0.04 -0.88 0.55 0.47 -0.55 0.00 0.00 176.35 175.90 1xsj n ASP 49 N -0.48 -0.93 -3.72 1.48 8.00 -1.26 -5.00 116.55 114.63 1xsj n ASP 49 Ca -0.06 -0.94 -0.14 0.00 0.71 0.00 0.00 54.79 54.37 1xsj n ASP 49 Cb 0.61 -3.40 -0.09 0.00 -0.02 0.00 0.00 41.12 38.22 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 -3.81 0.03 1.05 -3.53 -1.32 -1.26 -5.15 115.64 101.64 1xsj s THR 50 Ca 0.07 -0.22 -0.12 0.00 -1.21 0.00 0.00 61.69 60.20 1xsj s THR 50 Cb -0.04 -0.64 0.22 0.00 -1.51 0.00 0.00 72.50 70.53 1xsj s THR 50 CO 0.86 -0.12 1.07 -2.84 -2.21 0.00 0.00 174.62 171.38 1xsj s PRO 51 N -0.66 0.00 -0.13 7.08 0.02 -1.26 -5.08 135.00 134.97 1xsj s PRO 51 Ca -0.08 0.84 -0.09 0.00 0.02 0.00 0.00 61.00 61.70 1xsj s PRO 51 Cb -0.04 -1.66 0.04 0.00 0.02 0.00 0.00 34.50 32.87 1xsj s PRO 51 CO 0.03 -3.10 0.33 -1.17 -0.33 0.00 0.00 177.00 172.75 1xsj s LEU 52 N -6.79 0.39 0.06 -5.54 2.96 -1.26 -4.35 118.68 104.15 1xsj s LEU 52 Ca 0.67 0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 55.14 1xsj s LEU 52 Cb -0.22 1.06 -0.06 0.00 0.50 0.00 0.00 46.19 47.47 1xsj s LEU 52 CO 0.61 -0.15 0.43 -0.36 -1.32 0.00 0.00 176.35 175.55 1xsj s PHE 53 N 0.90 3.64 -0.31 5.38 0.40 0.23 -4.77 117.98 123.45 1xsj s PHE 53 Ca -0.06 0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 57.15 1xsj s PHE 53 Cb -0.07 -2.24 0.05 0.00 0.51 0.00 0.00 43.02 41.27 1xsj s PHE 53 CO -0.07 0.55 0.02 0.99 0.70 0.00 0.00 175.22 177.41 1xsj s THR 54 N -1.30 3.17 -0.18 0.64 2.01 -0.75 -0.56 115.64 118.67 1xsj s THR 54 Ca 0.31 -1.31 -0.08 0.00 0.31 0.00 0.00 61.69 60.92 1xsj s THR 54 Cb -0.15 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1xsj s THR 54 CO 0.17 -0.11 0.08 -0.76 -0.69 0.00 0.00 174.62 173.30 1xsj s LEU 55 N 1.29 3.93 -0.11 4.42 1.02 0.28 -1.40 118.68 128.11 1xsj s LEU 55 Ca -0.04 0.14 0.03 0.00 0.02 0.00 0.00 54.13 54.28 1xsj s LEU 55 Cb -0.20 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.03 1xsj s LEU 55 CO -0.00 0.20 -0.21 -0.60 0.02 0.00 0.00 176.35 175.75 1xsj s ARG 56 N 0.22 2.86 -0.15 1.70 3.52 -0.35 -0.14 118.95 126.61 1xsj s ARG 56 Ca 0.05 -0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 54.81 1xsj s ARG 56 Cb -0.12 -2.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.99 1xsj s ARG 56 CO -0.00 0.07 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.46 1xsj s PHE 57 N 0.62 3.03 0.21 5.12 0.08 0.11 -0.43 117.98 126.73 1xsj s PHE 57 Ca -0.13 -0.28 -0.18 0.00 0.12 0.00 0.00 56.93 56.47 1xsj s PHE 57 Cb -0.17 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1xsj s PHE 57 CO 0.03 -0.01 0.56 -0.59 -0.10 0.00 0.00 175.22 175.11 1xsj s PHE 58 N 0.30 -0.11 -0.17 0.36 -0.71 -0.79 -1.06 117.98 115.80 1xsj s PHE 58 Ca -0.03 -0.24 -0.02 0.00 -1.04 0.00 0.00 56.93 55.59 1xsj s PHE 58 Cb -0.14 0.45 0.05 0.00 -1.21 0.00 0.00 43.02 42.17 1xsj s PHE 58 CO 0.03 -0.98 0.01 0.45 -1.34 0.00 0.00 175.22 173.39 1xsj s SER 59 N -2.89 2.69 0.39 1.98 0.15 -1.26 0.43 113.70 115.19 1xsj s SER 59 Ca 0.10 -0.67 0.24 0.00 0.70 0.00 0.00 55.95 56.32 1xsj s SER 59 Cb -0.02 -0.64 0.48 0.00 -1.71 0.00 0.00 66.02 64.13 1xsj s SER 59 CO -0.00 -0.26 1.66 1.55 1.20 0.00 0.00 173.24 177.38 1xsj h PRO 60 N 8.23 0.00 -2.68 5.44 0.13 -1.82 -3.43 132.00 137.87 1xsj h PRO 60 Ca -0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.89 1xsj h PRO 60 Cb 1.12 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.08 1xsj h PRO 60 CO 0.34 0.00 0.05 -0.65 -0.23 0.00 0.00 178.00 177.51 1xsj s GLN 61 N -3.20 1.03 0.20 0.86 -1.52 -1.26 -0.85 119.66 114.91 1xsj s GLN 61 Ca 0.08 -0.17 -0.33 0.00 -1.95 0.00 0.00 55.36 52.99 1xsj s GLN 61 Cb 0.07 0.47 -0.13 0.00 -0.22 0.00 0.00 33.01 33.20 1xsj s GLN 61 CO 0.65 -0.37 1.54 -1.91 -0.25 0.00 0.00 175.29 174.95 1xsj n GLU 62 N 0.49 2.21 -1.09 2.91 0.00 -1.26 -1.79 120.64 122.10 1xsj n GLU 62 Ca -0.18 0.79 -0.03 0.00 0.00 0.00 0.00 57.16 57.74 1xsj n GLU 62 Cb 0.60 -2.53 -0.01 0.00 0.00 0.00 0.00 31.44 29.49 1xsj n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xsj n GLY 63 N 2.96 0.58 3.16 8.31 0.00 -1.21 -4.95 105.19 114.04 1xsj n GLY 63 Ca 0.14 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.90 2.07 -0.25 -0.61 1.01 -0.74 -1.15 121.20 119.63 1xsj s ILE 64 Ca 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1xsj s ILE 64 Cb 0.00 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1xsj s ILE 64 CO 0.00 0.55 -0.01 -0.69 0.00 0.00 0.00 174.94 174.79 1xsj s VAL 65 N 0.95 3.49 0.06 2.92 1.01 -0.12 -4.10 120.40 124.61 1xsj s VAL 65 Ca -0.04 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 1xsj s VAL 65 Cb -0.15 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1xsj s VAL 65 CO -0.05 0.28 0.86 -0.83 0.00 0.00 0.00 175.10 175.36 1xsj s GLY 66 N 1.46 2.88 -0.21 4.51 0.00 0.17 -0.79 107.32 115.33 1xsj s GLY 66 Ca 0.04 0.41 0.02 0.00 0.00 0.00 0.00 44.72 45.19 1xsj s GLY 66 CO -0.02 1.30 -0.13 0.14 0.00 0.00 0.00 173.10 174.39 1xsj s VAL 67 N 0.12 1.94 -0.30 1.40 1.01 0.32 -1.88 120.40 123.01 1xsj s VAL 67 Ca 0.43 -1.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1xsj s VAL 67 Cb -0.21 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1xsj s VAL 67 CO 0.26 0.22 0.08 -0.60 0.00 0.00 0.00 175.10 175.06 1xsj s ARG 68 N 1.27 3.05 -0.22 2.72 3.52 0.43 -1.11 118.95 128.61 1xsj s ARG 68 Ca -0.02 -0.88 -0.07 0.00 -0.13 0.00 0.00 55.73 54.63 1xsj s ARG 68 Cb -0.16 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1xsj s ARG 68 CO -0.09 -0.46 0.06 0.42 -0.81 0.00 0.00 175.30 174.42 1xsj s ILE 69 N 1.49 4.41 0.00 4.11 1.01 0.24 -1.21 121.20 131.26 1xsj s ILE 69 Ca 0.02 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.54 1xsj s ILE 69 Cb -0.17 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 1xsj s ILE 69 CO 0.03 0.38 -0.07 -0.70 0.00 0.00 0.00 174.94 174.57 1xsj s GLU 70 N 1.20 0.55 0.00 2.79 2.12 -0.49 -0.69 118.70 124.18 1xsj s GLU 70 Ca 0.04 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.03 1xsj s GLU 70 Cb -0.14 -0.51 0.00 0.00 0.26 0.00 0.00 34.13 33.74 1xsj s GLU 70 CO 0.03 0.13 0.00 1.58 -0.54 0.00 0.00 175.26 176.46 1xsj n HIS 71 N 2.65 0.00 -2.95 5.30 -0.00 -0.16 -1.80 115.22 118.26 1xsj n HIS 71 Ca -0.15 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.17 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 0.93 3.77 -2.20 1.57 0.08 -1.25 -4.82 117.98 116.06 1xsj s PHE 72 Ca 0.00 1.54 0.24 0.00 0.12 0.00 0.00 56.93 58.83 1xsj s PHE 72 Cb 0.00 -2.85 0.30 0.00 -0.57 0.00 0.00 43.02 39.90 1xsj s PHE 72 CO 0.00 0.29 1.29 1.04 -0.10 0.00 0.00 175.22 177.74 1xsj n GLN 73 N 2.67 1.38 0.00 0.44 6.02 -1.26 -4.38 117.38 122.25 1xsj n GLN 73 Ca -0.02 -1.06 0.15 0.00 -0.01 0.00 0.00 57.00 56.06 1xsj n GLN 73 Cb 0.50 -1.48 0.70 0.00 1.02 0.00 0.00 30.24 30.98 1xsj n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsj n GLY 74 N 1.37 -0.95 3.77 1.08 0.00 -1.26 -4.89 105.19 104.31 1xsj n GLY 74 Ca 0.12 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1xsj n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsj s ALA 75 N -2.37 2.60 0.36 4.61 0.00 -1.26 -4.98 121.76 120.73 1xsj s ALA 75 Ca 0.33 0.71 -0.28 0.00 0.00 0.00 0.00 51.96 52.72 1xsj s ALA 75 Cb 0.21 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.87 1xsj s ALA 75 CO 0.44 -0.97 1.46 1.28 0.00 0.00 0.00 175.76 177.96 1xsj n LEU 76 N -1.76 4.42 -3.33 0.00 4.77 -1.26 -5.00 117.00 114.84 1xsj n LEU 76 Ca 0.11 1.21 -0.25 0.00 -0.03 0.00 0.00 56.01 57.06 1xsj n LEU 76 Cb 0.51 -1.58 -0.09 0.00 -2.33 0.00 0.00 43.42 39.93 1xsj n LEU 76 CO 0.44 0.00 -0.27 0.21 -1.33 0.00 0.00 177.39 176.44 1xsj s ASN 77 N -0.08 1.22 0.39 -1.43 2.47 -1.26 -5.08 114.94 111.18 1xsj s ASN 77 Ca 0.55 -2.84 -0.19 0.00 0.42 0.00 0.00 52.86 50.81 1xsj s ASN 77 Cb -0.50 -0.17 -0.10 0.00 -1.45 0.00 0.00 41.25 39.02 1xsj s ASN 77 CO 0.61 -0.17 0.88 0.20 -3.72 0.00 0.00 177.10 174.90 1xsj s ASN 78 N 0.25 6.89 1.10 -4.21 0.01 -1.26 -5.10 114.94 112.62 1xsj s ASN 78 Ca 0.31 1.55 -0.08 0.00 -0.71 0.00 0.00 52.86 53.93 1xsj s ASN 78 Cb 0.01 -2.48 0.12 0.00 0.41 0.00 0.00 41.25 39.31 1xsj s ASN 78 CO -0.17 -0.30 0.44 0.61 -1.51 0.00 0.00 177.10 176.17 1xsj n GLY 79 N -0.53 -2.62 3.85 0.66 0.00 -1.26 -4.56 105.19 100.74 1xsj n GLY 79 Ca 0.06 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 1xsj n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xsj s PRO 80 N -4.00 2.71 0.23 1.61 0.04 -1.26 -0.88 135.00 133.46 1xsj s PRO 80 Ca 0.29 0.59 0.10 0.00 0.04 0.00 0.00 61.00 62.02 1xsj s PRO 80 Cb -0.03 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1xsj s PRO 80 CO 0.22 -1.17 -0.12 -1.01 0.04 0.00 0.00 177.00 174.96 1xsj s HIS 81 N -3.25 2.51 0.61 0.56 3.76 -1.26 -4.83 115.29 113.39 1xsj s HIS 81 Ca 0.59 -0.27 -0.19 0.00 -0.15 0.00 0.00 55.06 55.03 1xsj s HIS 81 Cb -0.12 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.37 1xsj s HIS 81 CO 0.53 0.59 1.32 0.66 -0.85 0.00 0.00 174.74 176.98 1xsj n TYR 82 N -0.31 2.07 -1.57 1.40 4.01 -1.26 -4.88 117.16 116.61 1xsj n TYR 82 Ca -0.09 0.42 -0.40 0.00 -0.16 0.00 0.00 57.90 57.68 1xsj n TYR 82 Cb 0.57 -2.30 -0.02 0.00 -0.31 0.00 0.00 39.34 37.28 1xsj n TYR 82 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xsj n PRO 83 N -1.55 3.64 -2.94 -0.72 -0.04 -1.26 -4.95 135.00 127.18 1xsj n PRO 83 Ca 0.14 -2.56 -0.39 0.00 -0.04 0.00 0.00 63.50 60.65 1xsj n PRO 83 Cb 0.47 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.97 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 0.27 4.53 -0.59 1.53 1.02 -1.26 -4.76 118.68 119.42 1xsj s LEU 84 Ca 0.61 1.68 -0.21 0.00 0.02 0.00 0.00 54.13 56.22 1xsj s LEU 84 Cb 0.17 -3.49 0.07 0.00 0.02 0.00 0.00 46.19 42.96 1xsj s LEU 84 CO -0.07 0.14 0.83 0.20 0.02 0.00 0.00 176.35 177.46 1xsj s ASN 85 N -1.30 6.22 -0.28 2.29 0.01 0.28 -5.02 114.94 117.14 1xsj s ASN 85 Ca 0.40 -0.96 -0.06 0.00 -0.71 0.00 0.00 52.86 51.53 1xsj s ASN 85 Cb -0.22 -2.37 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1xsj s ASN 85 CO 0.26 -1.21 0.05 -0.63 -1.51 0.00 0.00 177.10 174.06 1xsj s ILE 86 N 3.41 3.73 0.31 0.60 1.01 -1.26 -4.79 121.20 124.20 1xsj s ILE 86 Ca 0.20 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 1xsj s ILE 86 Cb -0.18 -2.92 -0.09 0.00 0.01 0.00 0.00 42.46 39.28 1xsj s ILE 86 CO 0.11 0.10 0.79 -0.76 0.00 0.00 0.00 174.94 175.19 1xsj s LEU 87 N 1.46 4.17 0.00 2.97 1.43 -0.03 -5.00 118.68 123.68 1xsj s LEU 87 Ca 0.02 1.46 0.22 0.00 -1.03 0.00 0.00 54.13 54.80 1xsj s LEU 87 Cb -0.17 -3.98 -0.07 0.00 0.03 0.00 0.00 46.19 42.00 1xsj s LEU 87 CO 0.01 -0.13 1.04 0.00 0.23 0.00 0.00 176.35 177.49 1xsj n GLN 88 N 0.08 0.88 -0.55 1.70 1.13 -1.26 -4.59 117.38 114.77 1xsj n GLN 88 Ca 0.02 -0.73 0.04 0.00 -1.94 0.00 0.00 57.00 54.39 1xsj n GLN 88 Cb 0.52 -1.48 0.06 0.00 0.11 0.00 0.00 30.24 29.45 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 -0.42 0.92 -4.70 1.08 5.68 -1.26 -5.03 116.55 112.82 1xsj n ASP 89 Ca 0.08 -2.45 -0.44 0.00 -0.50 0.00 0.00 54.79 51.48 1xsj n ASP 89 Cb 0.43 -0.30 -0.03 0.00 -1.14 0.00 0.00 41.12 40.08 1xsj n ASP 89 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1xsj n VAL 90 N -0.40 0.40 -2.23 2.12 0.31 -1.26 -4.90 118.33 112.37 1xsj n VAL 90 Ca 0.07 -0.10 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 1xsj n VAL 90 Cb 0.75 -1.73 -0.02 0.00 -0.91 0.00 0.00 33.84 31.93 1xsj n VAL 90 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1xsj s LYS 91 N 0.42 4.21 0.19 5.55 2.20 -1.26 -5.00 119.74 126.05 1xsj s LYS 91 Ca 0.73 1.91 0.07 0.00 -0.36 0.00 0.00 55.97 58.31 1xsj s LYS 91 Cb -0.59 -3.86 -0.05 0.00 -1.51 0.00 0.00 37.83 31.82 1xsj s LYS 91 CO 0.41 -0.77 -0.12 0.14 -0.36 0.00 0.00 175.35 174.65 1xsj s VAL 92 N 3.71 1.53 -0.03 4.02 -7.23 -1.26 -4.48 120.40 116.66 1xsj s VAL 92 Ca 0.63 -2.15 0.07 0.00 -1.81 0.00 0.00 61.98 58.72 1xsj s VAL 92 Cb -0.27 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1xsj s VAL 92 CO 0.22 -0.61 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.26 1xsj s THR 93 N -3.10 2.15 -0.13 5.32 2.01 -0.39 -4.98 115.64 116.51 1xsj s THR 93 Ca 0.21 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 1xsj s THR 93 Cb 0.01 -1.75 0.03 0.00 0.01 0.00 0.00 72.50 70.80 1xsj s THR 93 CO 0.05 0.58 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.89 1xsj s ILE 94 N -0.55 0.91 -0.13 1.82 1.01 -1.26 -0.43 121.20 122.56 1xsj s ILE 94 Ca 0.08 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1xsj s ILE 94 Cb -0.11 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1xsj s ILE 94 CO -0.00 0.21 -0.18 -1.83 0.00 0.00 0.00 174.94 173.13 1xsj s GLU 95 N 1.74 2.65 -0.41 2.79 -1.05 -0.10 -5.00 118.70 119.31 1xsj s GLU 95 Ca 0.03 -0.71 -0.05 0.00 -0.15 0.00 0.00 54.97 54.09 1xsj s GLU 95 Cb -0.14 -2.22 0.10 0.00 -0.44 0.00 0.00 34.13 31.44 1xsj s GLU 95 CO -0.07 -0.08 0.22 1.21 0.95 0.00 0.00 175.26 177.49 1xsj s ASN 96 N 1.01 5.35 0.37 0.83 2.47 -1.26 -0.23 114.94 123.48 1xsj s ASN 96 Ca -0.04 -1.90 0.03 0.00 0.42 0.00 0.00 52.86 51.37 1xsj s ASN 96 Cb -0.15 -1.87 0.03 0.00 -1.45 0.00 0.00 41.25 37.81 1xsj s ASN 96 CO -0.04 -0.55 0.25 0.35 -3.72 0.00 0.00 177.10 173.39 1xsj n THR 97 N 4.69 0.00 -0.03 -5.21 -2.24 0.72 -5.02 114.28 107.19 1xsj n THR 97 Ca -0.05 -1.49 -0.03 0.00 -2.27 0.00 0.00 64.05 60.22 1xsj n THR 97 Cb 0.42 -0.14 0.21 0.00 -2.10 0.00 0.00 70.33 68.72 1xsj n THR 97 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xsj h GLU 98 N 0.00 0.59 0.04 -0.78 4.57 -2.02 -3.26 114.58 113.72 1xsj h GLU 98 Ca -0.24 -0.17 -0.30 0.00 -1.18 0.00 0.00 59.36 57.47 1xsj h GLU 98 Cb 0.86 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 1xsj h GLU 98 CO 0.38 0.69 -1.64 0.00 -1.18 0.00 0.00 179.01 177.26 1xsj h ARG 99 N 0.54 0.09 -3.36 1.92 3.08 -1.96 -3.44 114.38 111.25 1xsj h ARG 99 Ca 0.10 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1xsj h ARG 99 Cb 0.52 0.06 -0.17 0.00 0.08 0.00 0.00 29.97 30.45 1xsj h ARG 99 CO 0.03 0.79 -0.30 0.71 -1.07 0.00 0.00 179.97 180.13 1xsj s TYR 100 N -2.61 -0.06 -0.17 3.04 4.12 -1.23 -0.35 117.35 120.09 1xsj s TYR 100 Ca -0.08 -0.08 -0.01 0.00 0.02 0.00 0.00 57.07 56.93 1xsj s TYR 100 Cb 0.08 0.05 -0.00 0.00 -1.52 0.00 0.00 41.96 40.57 1xsj s TYR 100 CO 0.82 -0.46 -0.13 0.00 0.02 0.00 0.00 175.55 175.81 1xsj s ALA 101 N -2.37 2.58 -0.07 3.71 0.00 -0.39 -0.20 121.76 125.01 1xsj s ALA 101 Ca -0.06 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1xsj s ALA 101 Cb -0.02 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.78 1xsj s ALA 101 CO -0.02 -0.14 -0.07 -2.00 0.00 0.00 0.00 175.76 173.52 1xsj s GLU 102 N 0.99 1.27 -0.13 0.00 2.12 0.68 0.02 118.70 123.65 1xsj s GLU 102 Ca -0.02 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1xsj s GLU 102 Cb -0.15 -1.22 -0.01 0.00 0.26 0.00 0.00 34.13 33.01 1xsj s GLU 102 CO -0.02 -0.11 -0.14 0.12 -0.54 0.00 0.00 175.26 174.57 1xsj s PHE 103 N 1.10 2.79 -0.04 5.30 5.36 0.60 -0.92 117.98 132.17 1xsj s PHE 103 Ca -0.07 -0.74 0.02 0.00 -0.96 0.00 0.00 56.93 55.17 1xsj s PHE 103 Cb -0.14 -1.84 0.01 0.00 -0.34 0.00 0.00 43.02 40.70 1xsj s PHE 103 CO -0.01 -0.28 -0.08 0.21 -1.46 0.00 0.00 175.22 173.60 1xsj s LYS 104 N 0.44 1.09 -0.13 10.12 2.20 0.42 -0.17 119.74 133.72 1xsj s LYS 104 Ca -0.10 -0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 55.22 1xsj s LYS 104 Cb -0.16 -1.00 0.04 0.00 -1.51 0.00 0.00 37.83 35.21 1xsj s LYS 104 CO 0.05 0.03 0.00 0.45 -0.36 0.00 0.00 175.35 175.52 1xsj s SER 105 N 0.52 2.22 1.97 1.43 0.15 0.53 -1.26 113.70 119.25 1xsj s SER 105 Ca -0.09 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1xsj s SER 105 Cb -0.12 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1xsj s SER 105 CO 0.01 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1xsj n GLY 106 N 5.07 4.15 0.44 9.45 0.00 -1.26 -1.91 105.19 121.13 1xsj n GLY 106 Ca -0.09 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 7.70 1.60 -4.65 1.61 5.03 -1.26 -4.91 115.26 120.38 1xsj n ASN 107 Ca 0.00 -1.30 -0.35 0.00 0.87 0.00 0.00 54.58 53.80 1xsj n ASN 107 Cb 0.00 0.17 -0.10 0.00 -1.02 0.00 0.00 39.78 38.83 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 -2.32 3.91 0.16 3.41 2.96 -0.80 -0.53 118.68 125.46 1xsj s LEU 108 Ca 0.26 0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.35 1xsj s LEU 108 Cb 0.19 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1xsj s LEU 108 CO 0.46 0.15 -0.17 -0.94 -1.32 0.00 0.00 176.35 174.54 1xsj s SER 109 N 0.53 2.46 -0.12 3.68 1.04 0.39 -0.35 113.70 121.34 1xsj s SER 109 Ca 0.05 -0.86 -0.00 0.00 0.48 0.00 0.00 55.95 55.61 1xsj s SER 109 Cb -0.12 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 1xsj s SER 109 CO 0.01 -0.08 -0.11 0.00 0.98 0.00 0.00 173.24 174.03 1xsj s ALA 110 N -2.18 2.72 -0.10 5.32 0.00 0.76 -0.30 121.76 127.97 1xsj s ALA 110 Ca 0.14 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1xsj s ALA 110 Cb -0.05 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.84 1xsj s ALA 110 CO 0.05 0.30 -0.13 0.50 0.00 0.00 0.00 175.76 176.48 1xsj s ARG 111 N 0.15 2.02 -0.19 0.00 3.52 0.01 -0.29 118.95 124.17 1xsj s ARG 111 Ca -0.06 -0.48 -0.08 0.00 -0.13 0.00 0.00 55.73 54.98 1xsj s ARG 111 Cb -0.15 -1.77 -0.04 0.00 -1.56 0.00 0.00 34.95 31.43 1xsj s ARG 111 CO 0.04 -0.09 0.09 0.08 -0.81 0.00 0.00 175.30 174.61 1xsj s VAL 112 N 1.07 5.02 -0.11 7.11 1.01 0.10 -1.34 120.40 133.27 1xsj s VAL 112 Ca -0.05 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 1xsj s VAL 112 Cb -0.15 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1xsj s VAL 112 CO -0.02 0.45 0.86 -0.44 0.00 0.00 0.00 175.10 175.95 1xsj s SER 113 N 0.37 7.09 0.70 3.32 0.01 -0.30 -1.26 113.70 123.62 1xsj s SER 113 Ca 0.05 1.33 -0.11 0.00 1.31 0.00 0.00 55.95 58.52 1xsj s SER 113 Cb -0.12 -2.48 0.01 0.00 0.21 0.00 0.00 66.02 63.64 1xsj s SER 113 CO -0.01 -0.32 1.09 -0.54 0.41 0.00 0.00 173.24 173.87 1xsj s LYS 114 N 1.62 2.91 1.03 12.44 1.02 0.52 -4.13 119.74 135.16 1xsj s LYS 114 Ca 0.42 0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.88 1xsj s LYS 114 Cb -0.18 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1xsj s LYS 114 CO 0.17 -0.99 0.00 0.41 -0.92 0.00 0.00 175.35 174.02 1xsj n GLY 115 N -2.98 -1.10 0.24 -3.33 0.00 -1.26 -4.35 105.19 92.41 1xsj n GLY 115 Ca 0.07 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.59 1xsj n GLY 115 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xsj h GLU 116 N 0.00 0.00 -3.33 1.61 5.08 -1.92 -3.38 114.58 112.64 1xsj h GLU 116 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1xsj h GLU 116 Cb 0.00 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 28.88 1xsj h GLU 116 CO 0.00 0.07 -0.30 -0.06 -1.00 0.00 0.00 179.01 177.71 1xsj s PHE 117 N -3.49 3.66 0.47 4.33 0.08 -1.26 -5.04 117.98 116.73 1xsj s PHE 117 Ca 0.03 -3.04 -0.24 0.00 0.12 0.00 0.00 56.93 53.81 1xsj s PHE 117 Cb 0.08 -3.09 -0.08 0.00 -0.57 0.00 0.00 43.02 39.36 1xsj s PHE 117 CO 0.61 -0.72 1.22 1.87 -0.10 0.00 0.00 175.22 178.10 1xsj n TRP 118 N 2.58 1.88 -3.64 0.36 -0.00 -1.26 -4.75 117.44 112.61 1xsj n TRP 118 Ca 0.17 0.48 -0.10 0.00 -0.00 0.00 0.00 57.50 58.05 1xsj n TRP 118 Cb 0.36 -2.33 -0.07 0.00 -0.00 0.00 0.00 31.31 29.28 1xsj n TRP 118 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xsj s SER 119 N -0.73 -0.67 -0.28 5.87 0.15 -1.26 -4.19 113.70 112.60 1xsj s SER 119 Ca 0.65 1.22 -0.02 0.00 0.70 0.00 0.00 55.95 58.50 1xsj s SER 119 Cb -0.48 1.25 0.03 0.00 -1.71 0.00 0.00 66.02 65.11 1xsj s SER 119 CO 0.55 -0.21 -0.01 -0.22 1.20 0.00 0.00 173.24 174.54 1xsj s LEU 120 N 0.61 3.59 -0.08 3.45 0.20 -0.84 -1.15 118.68 124.45 1xsj s LEU 120 Ca -0.01 -1.02 0.04 0.00 0.69 0.00 0.00 54.13 53.83 1xsj s LEU 120 Cb -0.05 -1.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.99 1xsj s LEU 120 CO -0.06 -0.20 -0.23 -1.81 -0.29 0.00 0.00 176.35 173.77 1xsj s ASP 121 N 1.32 3.20 -0.21 3.68 1.01 -0.45 0.11 116.67 125.33 1xsj s ASP 121 Ca -0.02 -0.51 -0.10 0.00 0.71 0.00 0.00 52.55 52.64 1xsj s ASP 121 Cb -0.18 -1.19 -0.05 0.00 1.01 0.00 0.00 42.92 42.51 1xsj s ASP 121 CO -0.02 0.20 0.13 -0.36 0.21 0.00 0.00 175.17 175.33 1xsj s PHE 122 N 0.11 3.33 -0.03 4.23 0.08 -0.46 -0.81 117.98 124.43 1xsj s PHE 122 Ca -0.11 0.21 0.05 0.00 0.12 0.00 0.00 56.93 57.21 1xsj s PHE 122 Cb -0.16 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 1xsj s PHE 122 CO 0.06 0.16 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.63 1xsj s LEU 123 N 0.67 2.00 -0.29 -0.37 1.43 0.59 -1.16 118.68 121.54 1xsj s LEU 123 Ca 0.07 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1xsj s LEU 123 Cb -0.12 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 45.05 1xsj s LEU 123 CO 0.01 0.21 0.01 -0.60 0.23 0.00 0.00 176.35 176.21 1xsj s ARG 124 N -0.22 2.73 -1.63 1.70 3.52 0.71 -0.46 118.95 125.31 1xsj s ARG 124 Ca 0.01 -1.07 -0.10 0.00 -0.13 0.00 0.00 55.73 54.44 1xsj s ARG 124 Cb -0.10 -3.20 0.09 0.00 -1.56 0.00 0.00 34.95 30.18 1xsj s ARG 124 CO 0.01 -0.52 0.46 0.09 -0.81 0.00 0.00 175.30 174.53 1xsj n ASN 125 N 4.72 -1.18 0.00 -2.12 3.02 0.31 -1.43 115.26 118.58 1xsj n ASN 125 Ca -0.14 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1xsj n ASN 125 Cb 0.46 -2.31 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 1xsj n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsj n GLY 126 N -1.79 0.74 3.58 7.41 0.00 -1.26 -5.03 105.19 108.84 1xsj n GLY 126 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.03 3.69 -0.37 1.61 2.02 -0.51 -5.03 118.70 120.07 1xsj s GLU 127 Ca 0.00 -0.43 -0.29 0.00 0.02 0.00 0.00 54.97 54.27 1xsj s GLU 127 Cb 0.00 -3.01 0.01 0.00 0.10 0.00 0.00 34.13 31.23 1xsj s GLU 127 CO 0.00 0.33 1.30 0.50 0.02 0.00 0.00 175.26 177.41 1xsj s ARG 128 N 0.16 3.76 0.03 1.61 3.52 -1.26 -0.20 118.95 126.57 1xsj s ARG 128 Ca 0.01 1.00 0.13 0.00 -0.13 0.00 0.00 55.73 56.74 1xsj s ARG 128 Cb -0.13 -3.93 -0.18 0.00 -1.56 0.00 0.00 34.95 29.15 1xsj s ARG 128 CO 0.02 -1.32 0.85 -0.84 -0.81 0.00 0.00 175.30 173.19 1xsj h ILE 129 N 6.18 0.88 -1.68 4.11 3.07 -1.50 -3.48 117.51 125.09 1xsj h ILE 129 Ca -0.26 -2.59 0.03 0.00 1.55 0.00 0.00 64.86 63.60 1xsj h ILE 129 Cb 1.09 2.38 -0.00 0.00 -0.27 0.00 0.00 36.82 40.01 1xsj h ILE 129 CO 1.07 0.50 0.10 1.07 -1.05 0.00 0.00 178.15 179.84 1xsj n THR 130 N -3.06 0.00 0.00 0.16 5.66 -1.21 -4.91 114.28 110.92 1xsj n THR 130 Ca -0.11 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1xsj n THR 130 Cb 0.96 0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 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 -0.11 -0.95 3.15 1.09 0.00 -1.26 -1.35 105.19 105.75 1xsj n GLY 131 Ca -0.00 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 1xsj n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsj s SER 132 N 0.00 4.08 0.58 1.61 0.15 0.12 -0.69 113.70 119.54 1xsj s SER 132 Ca 0.00 -0.96 -0.14 0.00 0.70 0.00 0.00 55.95 55.55 1xsj s SER 132 Cb 0.00 -1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 62.67 1xsj s SER 132 CO 0.00 -0.11 1.02 -1.10 1.20 0.00 0.00 173.24 174.25 1xsj s GLN 133 N 1.26 3.59 0.16 5.44 -0.21 -1.26 -1.99 119.66 126.66 1xsj s GLN 133 Ca -0.01 0.97 -0.33 0.00 0.02 0.00 0.00 55.36 56.00 1xsj s GLN 133 Cb -0.17 -2.08 -0.16 0.00 1.00 0.00 0.00 33.01 31.61 1xsj s GLN 133 CO -0.07 -0.57 1.22 1.55 -2.12 0.00 0.00 175.29 175.30 1xsj n VAL 134 N -2.15 0.74 -0.96 1.09 3.14 -1.26 -1.29 118.33 117.64 1xsj n VAL 134 Ca 0.07 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1xsj n VAL 134 Cb 0.54 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 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 1.92 -0.34 -0.08 1.45 5.02 -1.26 -4.88 118.16 119.99 1xsj n LYS 135 Ca 0.15 0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.65 1xsj n LYS 135 Cb 0.24 -3.34 0.21 0.00 -0.02 0.00 0.00 35.03 32.12 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 -0.17 2.95 -3.97 4.39 3.02 -0.42 -4.94 115.26 116.13 1xsj n ASN 136 Ca 0.00 -1.93 -0.21 0.00 -0.03 0.00 0.00 54.58 52.41 1xsj n ASN 136 Cb 0.09 -0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.76 1.96 0.00 6.41 2.20 -1.26 -1.19 114.94 121.30 1xsj s ASN 137 Ca 0.34 -1.61 0.00 0.00 -0.94 0.00 0.00 52.86 50.65 1xsj s ASN 137 Cb 0.21 0.42 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 1xsj s ASN 137 CO 0.31 -0.91 0.00 0.61 -2.94 0.00 0.00 177.10 174.17 1xsj n GLY 138 N -0.69 0.64 3.24 0.45 0.00 -0.67 -4.38 105.19 103.78 1xsj n GLY 138 Ca -0.00 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1xsj n GLY 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xsj s TYR 139 N -2.72 2.17 -0.20 1.61 5.04 -0.33 -1.11 117.35 121.80 1xsj s TYR 139 Ca 0.00 -0.58 -0.03 0.00 -2.44 0.00 0.00 57.07 54.03 1xsj s TYR 139 Cb 0.00 -1.42 -0.01 0.00 0.35 0.00 0.00 41.96 40.88 1xsj s TYR 139 CO 0.00 -0.15 -0.07 0.08 -1.34 0.00 0.00 175.55 174.06 1xsj s VAL 140 N -0.23 3.20 -0.44 3.14 1.01 0.15 -2.09 120.40 125.14 1xsj s VAL 140 Ca -0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1xsj s VAL 140 Cb -0.12 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.88 1xsj s VAL 140 CO 0.02 0.45 0.38 -1.58 0.00 0.00 0.00 175.10 174.38 1xsj s GLN 141 N 1.27 3.00 -0.59 2.72 0.74 0.36 -0.90 119.66 126.27 1xsj s GLN 141 Ca 0.03 -1.11 -0.20 0.00 0.05 0.00 0.00 55.36 54.13 1xsj s GLN 141 Cb -0.14 -4.05 0.09 0.00 1.10 0.00 0.00 33.01 30.00 1xsj s GLN 141 CO -0.03 -0.91 0.75 0.34 -0.55 0.00 0.00 175.29 174.89 1xsj s ASP 142 N 2.15 6.19 0.09 6.67 -1.08 0.18 -0.56 116.67 130.31 1xsj s ASP 142 Ca 0.06 -1.20 0.28 0.00 -0.52 0.00 0.00 52.55 51.17 1xsj s ASP 142 Cb -0.21 -2.33 1.05 0.00 -1.46 0.00 0.00 42.92 39.97 1xsj s ASP 142 CO 0.09 -1.15 1.86 0.35 0.52 0.00 0.00 175.17 176.84 1xsj n THR 143 N 5.66 0.25 -0.08 1.71 -2.24 -0.75 -0.32 114.28 118.51 1xsj n THR 143 Ca -0.07 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1xsj n THR 143 Cb 0.44 -0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.80 -0.04 3.42 2.35 -1.90 -3.35 115.58 116.86 1xsj h ASN 144 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1xsj h ASN 144 Cb 0.60 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1xsj h ASN 144 CO 0.00 1.15 0.00 -0.46 -1.65 0.00 0.00 177.43 176.47 1xsj n ASN 145 N -4.19 1.71 -1.24 5.81 0.23 -1.21 -5.01 115.26 111.36 1xsj n ASN 145 Ca -0.04 -1.56 -0.15 0.00 -0.53 0.00 0.00 54.58 52.30 1xsj n ASN 145 Cb 0.53 -0.02 -0.06 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 -0.08 -1.07 -4.04 -3.83 1.13 0.56 -5.00 117.38 105.05 1xsj n GLN 146 Ca 0.02 0.99 -0.30 0.00 -1.94 0.00 0.00 57.00 55.78 1xsj n GLN 146 Cb 0.18 -5.16 -0.06 0.00 0.11 0.00 0.00 30.24 25.31 1xsj n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xsj s ARG 147 N -3.48 2.96 -0.04 -1.09 0.52 -1.00 -4.94 118.95 111.87 1xsj s ARG 147 Ca 0.00 -0.70 0.05 0.00 -0.52 0.00 0.00 55.73 54.57 1xsj s ARG 147 Cb 0.00 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 1xsj s ARG 147 CO 0.00 0.55 -0.19 -0.80 0.02 0.00 0.00 175.30 174.88 1xsj s ASN 148 N -2.57 3.60 0.14 0.23 0.01 -1.26 -0.65 114.94 114.45 1xsj s ASN 148 Ca 0.30 -0.32 0.06 0.00 -0.71 0.00 0.00 52.86 52.19 1xsj s ASN 148 Cb -0.12 -0.69 -0.04 0.00 0.41 0.00 0.00 41.25 40.81 1xsj s ASN 148 CO 0.23 0.32 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.69 1xsj s TYR 149 N -0.61 1.48 -0.01 2.20 2.02 -0.07 -2.58 117.35 119.78 1xsj s TYR 149 Ca 0.09 -0.58 0.06 0.00 -0.37 0.00 0.00 57.07 56.27 1xsj s TYR 149 Cb -0.11 -0.75 -0.03 0.00 -0.40 0.00 0.00 41.96 40.68 1xsj s TYR 149 CO 0.00 0.19 -0.19 -1.64 -1.57 0.00 0.00 175.55 172.35 1xsj s MET 150 N -3.00 2.25 0.08 -0.62 -1.94 -0.69 0.34 119.30 115.72 1xsj s MET 150 Ca 0.13 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.27 1xsj s MET 150 Cb -0.03 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 1xsj s MET 150 CO 0.04 0.58 -0.06 -0.59 -0.01 0.00 0.00 175.02 174.98 1xsj s PHE 151 N -0.76 0.78 0.06 -0.03 -0.71 -0.27 -1.68 117.98 115.37 1xsj s PHE 151 Ca 0.12 -0.90 0.00 0.00 -1.04 0.00 0.00 56.93 55.12 1xsj s PHE 151 Cb -0.10 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.20 1xsj s PHE 151 CO 0.01 -0.19 -0.05 -2.00 -1.34 0.00 0.00 175.22 171.66 1xsj s GLU 152 N -3.57 0.63 -0.20 1.99 2.56 -0.14 -1.66 118.70 118.30 1xsj s GLU 152 Ca 0.08 -1.10 -0.03 0.00 0.00 0.00 0.00 54.97 53.92 1xsj s GLU 152 Cb 0.04 -0.00 0.06 0.00 2.00 0.00 0.00 34.13 36.23 1xsj s GLU 152 CO -0.05 -0.05 0.04 1.03 -0.56 0.00 0.00 175.26 175.67 1xsj s ARG 153 N -3.21 0.65 -0.10 4.30 0.52 -0.33 -0.09 118.95 120.68 1xsj s ARG 153 Ca 0.03 -0.46 -0.16 0.00 -0.52 0.00 0.00 55.73 54.62 1xsj s ARG 153 Cb 0.02 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 1xsj s ARG 153 CO -0.06 -0.67 0.42 -0.51 0.02 0.00 0.00 175.30 174.51 1xsj s LEU 154 N 1.85 4.31 0.55 2.53 1.43 0.18 -4.38 118.68 125.16 1xsj s LEU 154 Ca -0.00 0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 53.66 1xsj s LEU 154 Cb -0.17 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 1xsj s LEU 154 CO -0.09 0.10 1.29 0.47 0.23 0.00 0.00 176.35 178.34 1xsj n ASP 155 N 3.22 2.33 -4.33 2.29 8.00 0.13 -0.80 116.55 127.40 1xsj n ASP 155 Ca -0.10 0.95 -0.33 0.00 0.71 0.00 0.00 54.79 56.02 1xsj n ASP 155 Cb 0.52 -1.54 -0.15 0.00 -0.02 0.00 0.00 41.12 39.93 1xsj n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xsj s LEU 156 N -3.18 2.61 0.88 0.64 1.43 0.31 -4.61 118.68 116.77 1xsj s LEU 156 Ca 0.73 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1xsj s LEU 156 Cb -0.42 -1.59 0.15 0.00 0.03 0.00 0.00 46.19 44.35 1xsj s LEU 156 CO 0.49 0.14 1.23 -0.83 0.23 0.00 0.00 176.35 177.60 1xsj s GLY 157 N 0.52 1.71 0.16 -3.19 0.00 -1.26 -4.75 107.32 100.51 1xsj s GLY 157 Ca -0.09 -1.03 -0.33 0.00 0.00 0.00 0.00 44.72 43.26 1xsj s GLY 157 CO 0.04 -0.40 1.68 -0.62 0.00 0.00 0.00 173.10 173.81 1xsj n VAL 158 N -3.50 0.08 -1.09 1.40 0.31 -1.26 -1.13 118.33 113.15 1xsj n VAL 158 Ca 0.12 -0.01 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 1xsj n VAL 158 Cb 0.60 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.72 1xsj n VAL 158 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsj n GLY 159 N 3.78 0.47 3.65 2.92 0.00 -1.26 -4.98 105.19 109.76 1xsj n GLY 159 Ca 0.17 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1xsj n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsj s GLU 160 N -1.66 4.23 0.18 1.61 2.12 -0.28 -4.98 118.70 119.91 1xsj s GLU 160 Ca 0.00 1.21 0.06 0.00 0.36 0.00 0.00 54.97 56.61 1xsj s GLU 160 Cb 0.00 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1xsj s GLU 160 CO 0.00 -0.61 0.09 0.95 -0.54 0.00 0.00 175.26 175.15 1xsj s THR 161 N 3.11 4.20 -0.03 -1.70 -4.23 -1.26 -4.81 115.64 110.91 1xsj s THR 161 Ca 0.41 -1.25 0.06 0.00 -1.18 0.00 0.00 61.69 59.73 1xsj s THR 161 Cb -0.15 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 1xsj s THR 161 CO 0.07 -0.14 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.09 1xsj s VAL 162 N -1.80 1.82 0.12 2.29 1.01 -1.26 -2.29 120.40 120.28 1xsj s VAL 162 Ca 0.30 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1xsj s VAL 162 Cb -0.09 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1xsj s VAL 162 CO 0.22 0.51 -0.05 -0.31 0.00 0.00 0.00 175.10 175.47 1xsj s TYR 163 N -0.37 0.96 0.00 5.22 2.02 -0.04 0.32 117.35 125.47 1xsj s TYR 163 Ca 0.04 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 1xsj s TYR 163 Cb -0.10 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.90 1xsj s TYR 163 CO 0.01 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.23 1xsj n GLY 164 N -0.09 0.88 2.36 0.71 0.00 -1.26 -1.56 105.19 106.24 1xsj n GLY 164 Ca -0.11 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.48 0.00 0.99 4.77 0.13 -4.80 117.00 116.61 1xsj n LEU 165 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1xsj n LEU 165 Cb 0.00 -2.32 0.00 0.00 -2.33 0.00 0.00 43.42 38.77 1xsj n LEU 165 CO 0.00 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.23 1xsj n GLY 166 N -1.03 -1.21 3.50 -0.72 0.00 -1.23 -3.30 105.19 101.19 1xsj n GLY 166 Ca -0.17 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 1xsj n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsj s GLU 167 N 0.00 3.33 0.13 1.61 2.12 0.20 -3.80 118.70 122.30 1xsj s GLU 167 Ca 0.00 -0.92 0.10 0.00 0.36 0.00 0.00 54.97 54.51 1xsj s GLU 167 Cb 0.00 -4.60 -0.04 0.00 0.26 0.00 0.00 34.13 29.75 1xsj s GLU 167 CO 0.00 -1.98 -0.22 1.03 -0.54 0.00 0.00 175.26 173.55 1xsj s ARG 168 N 4.45 1.61 0.00 4.30 0.52 -1.26 -4.53 118.95 124.04 1xsj s ARG 168 Ca 0.33 -1.29 0.12 0.00 -0.52 0.00 0.00 55.73 54.37 1xsj s ARG 168 Cb -0.08 -2.00 0.03 0.00 0.52 0.00 0.00 34.95 33.42 1xsj s ARG 168 CO 0.03 0.46 0.78 1.19 0.02 0.00 0.00 175.30 177.78 1xsj n PHE 169 N 0.74 0.00 -0.84 -0.53 3.72 -1.26 -3.03 117.46 116.26 1xsj n PHE 169 Ca -0.16 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.14 1xsj n PHE 169 Cb 0.53 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.16 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 0.13 0.00 -1.65 4.37 -2.24 -1.26 -4.81 114.28 108.82 1xsj n THR 170 Ca 0.06 -0.21 -0.44 0.00 -2.27 0.00 0.00 64.05 61.20 1xsj n THR 170 Cb 0.28 -1.26 -0.01 0.00 -2.10 0.00 0.00 70.33 67.24 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 -3.55 0.59 -0.02 6.98 0.00 -1.26 -4.89 120.51 118.36 1xsj n ALA 171 Ca -0.07 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 1xsj n ALA 171 Cb 0.20 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.48 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 2.48 -0.66 -9.38 0.00 5.85 -1.93 -3.40 115.31 108.28 1xsj h LEU 172 Ca -0.43 0.12 -0.54 0.00 0.84 0.00 0.00 57.88 57.86 1xsj h LEU 172 Cb 1.31 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 1xsj h LEU 172 CO 0.63 -0.26 0.51 -0.69 -0.34 0.00 0.00 178.44 178.30 1xsj s VAL 173 N -6.10 4.56 -0.40 1.05 1.01 -1.26 -4.62 120.40 114.63 1xsj s VAL 173 Ca -0.15 1.84 0.23 0.00 0.00 0.00 0.00 61.98 63.90 1xsj s VAL 173 Cb 0.11 -4.18 0.33 0.00 0.00 0.00 0.00 36.38 32.65 1xsj s VAL 173 CO 0.68 0.09 1.62 0.03 0.00 0.00 0.00 175.10 177.52 1xsj h ARG 174 N 6.98 0.00 -6.44 2.72 -0.00 -0.35 -3.46 114.38 113.82 1xsj h ARG 174 Ca -0.38 0.00 -0.61 0.00 -0.50 0.00 0.00 59.98 58.49 1xsj h ARG 174 Cb 1.19 0.00 0.06 0.00 0.00 0.00 0.00 29.97 31.22 1xsj h ARG 174 CO 0.81 0.02 0.72 0.09 0.00 0.00 0.00 179.97 181.61 1xsj n ASN 175 N -3.11 2.75 0.00 7.04 4.13 -1.26 -1.33 115.26 123.48 1xsj n ASN 175 Ca 0.04 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.39 1xsj n ASN 175 Cb 0.53 -1.37 0.00 0.00 -1.54 0.00 0.00 39.78 37.40 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 3.23 0.28 3.65 7.41 0.00 0.29 -5.00 105.19 115.06 1xsj n GLY 176 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.95 2.69 -0.11 1.61 -0.21 -0.45 -4.66 119.66 117.57 1xsj s GLN 177 Ca 0.00 -0.67 -0.21 0.00 0.02 0.00 0.00 55.36 54.50 1xsj s GLN 177 Cb 0.00 -2.60 -0.03 0.00 1.00 0.00 0.00 33.01 31.37 1xsj s GLN 177 CO 0.00 0.61 0.62 0.99 -2.12 0.00 0.00 175.29 175.39 1xsj s THR 178 N -1.08 5.08 -0.05 -0.19 2.01 -1.26 -0.66 115.64 119.49 1xsj s THR 178 Ca 0.19 1.25 0.02 0.00 0.31 0.00 0.00 61.69 63.45 1xsj s THR 178 Cb -0.11 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.46 1xsj s THR 178 CO 0.10 0.23 -0.08 0.54 -0.69 0.00 0.00 174.62 174.73 1xsj s VAL 179 N 1.04 0.79 -0.23 3.82 0.11 -0.04 -4.99 120.40 120.90 1xsj s VAL 179 Ca 0.32 -0.27 -0.05 0.00 -2.93 0.00 0.00 61.98 59.04 1xsj s VAL 179 Cb -0.16 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1xsj s VAL 179 CO 0.14 0.28 0.01 -1.61 -3.33 0.00 0.00 175.10 170.59 1xsj s GLU 180 N 0.82 3.52 -1.07 1.54 0.41 -1.26 -0.13 118.70 122.52 1xsj s GLU 180 Ca -0.12 -0.55 -0.20 0.00 -0.41 0.00 0.00 54.97 53.68 1xsj s GLU 180 Cb -0.15 -3.16 0.08 0.00 -1.78 0.00 0.00 34.13 29.12 1xsj s GLU 180 CO 0.01 -0.18 1.44 0.95 -0.49 0.00 0.00 175.26 176.99 1xsj s THR 181 N 1.51 4.21 -0.24 3.63 -4.23 -0.82 -4.85 115.64 114.86 1xsj s THR 181 Ca 0.06 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 1xsj s THR 181 Cb -0.15 -5.02 0.12 0.00 1.34 0.00 0.00 72.50 68.80 1xsj s THR 181 CO 0.00 -1.85 0.32 0.86 -0.54 0.00 0.00 174.62 173.41 1xsj s TRP 182 N 4.10 -0.61 0.22 3.99 -0.11 -1.26 -4.14 118.94 121.13 1xsj s TRP 182 Ca 0.45 0.49 -0.32 0.00 1.22 0.00 0.00 56.10 57.94 1xsj s TRP 182 Cb -0.00 -0.17 -0.13 0.00 -1.50 0.00 0.00 33.47 31.66 1xsj s TRP 182 CO -0.05 -0.72 1.48 0.09 -4.62 0.00 0.00 176.95 173.13 1xsj n ASN 183 N 5.34 2.96 -3.89 5.86 3.02 -1.26 -4.68 115.26 122.61 1xsj n ASN 183 Ca -0.04 1.12 -0.10 0.00 -0.03 0.00 0.00 54.58 55.54 1xsj n ASN 183 Cb 0.49 -1.44 -0.09 0.00 -0.61 0.00 0.00 39.78 38.13 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 -0.01 0.64 -0.91 3.52 0.52 -0.25 -4.64 118.95 117.82 1xsj s ARG 184 Ca 0.71 -0.72 -0.12 0.00 -0.52 0.00 0.00 55.73 55.09 1xsj s ARG 184 Cb -0.64 0.26 0.24 0.00 0.52 0.00 0.00 34.95 35.32 1xsj s ARG 184 CO 0.46 -0.17 0.86 0.34 0.02 0.00 0.00 175.30 176.81 1xsj s ASP 185 N -2.14 6.85 0.00 0.23 2.15 -1.26 -3.36 116.67 119.13 1xsj s ASP 185 Ca -0.04 -3.02 0.02 0.00 0.43 0.00 0.00 52.55 49.93 1xsj s ASP 185 Cb -0.01 -2.18 0.06 0.00 -0.30 0.00 0.00 42.92 40.48 1xsj s ASP 185 CO -0.05 -0.46 0.99 0.61 -0.17 0.00 0.00 175.17 176.10 1xsj n GLY 186 N 3.49 2.44 7.00 2.66 0.00 -1.26 -5.12 105.19 114.40 1xsj n GLY 186 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.25 -0.30 0.28 -0.02 0.00 -1.26 -4.36 105.19 99.28 1xsj n GLY 187 Ca 0.02 -1.05 0.02 0.00 0.00 0.00 0.00 46.02 45.02 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 0.97 -0.31 2.61 -2.24 -1.24 -4.67 114.28 109.40 1xsj n THR 188 Ca 0.00 -0.99 0.05 0.00 -2.27 0.00 0.00 64.05 60.84 1xsj n THR 188 Cb 0.00 0.52 0.13 0.00 -2.10 0.00 0.00 70.33 68.87 1xsj n THR 188 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xsj n SER 189 N -0.04 2.79 -3.44 3.42 3.41 -1.26 -4.78 113.62 113.72 1xsj n SER 189 Ca 0.05 -2.22 -0.21 0.00 -0.26 0.00 0.00 58.87 56.23 1xsj n SER 189 Cb 0.32 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 1xsj n SER 189 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xsj n THR 190 N -0.03 0.00 0.51 6.66 -2.24 -1.26 -5.02 114.28 112.89 1xsj n THR 190 Ca 0.10 -1.91 0.07 0.00 -2.27 0.00 0.00 64.05 60.04 1xsj n THR 190 Cb 0.46 0.67 0.32 0.00 -2.10 0.00 0.00 70.33 69.69 1xsj n THR 190 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xsj n GLU 191 N -0.75 0.01 -1.94 -0.78 0.00 -1.26 -4.46 120.64 111.45 1xsj n GLU 191 Ca -0.05 0.25 -0.31 0.00 0.00 0.00 0.00 57.16 57.05 1xsj n GLU 191 Cb 0.49 -1.51 0.01 0.00 0.00 0.00 0.00 31.44 30.43 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 -3.01 3.60 0.00 3.44 -0.21 -1.26 -4.91 119.66 117.32 1xsj s GLN 192 Ca 0.07 0.81 0.00 0.00 0.02 0.00 0.00 55.36 56.26 1xsj s GLN 192 Cb 0.10 -2.08 -0.00 0.00 1.00 0.00 0.00 33.01 32.02 1xsj s GLN 192 CO 0.27 -0.56 -0.01 0.00 -2.12 0.00 0.00 175.29 172.87 1xsj s ALA 193 N -3.06 0.07 0.04 6.09 0.00 -1.26 -4.67 121.76 118.98 1xsj s ALA 193 Ca 0.56 -0.14 0.11 0.00 0.00 0.00 0.00 51.96 52.49 1xsj s ALA 193 Cb -0.11 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1xsj s ALA 193 CO 0.50 -0.02 1.40 1.88 0.00 0.00 0.00 175.76 179.52 1xsj h TYR 194 N 5.83 0.00 -3.32 0.00 0.05 -1.79 -0.65 116.97 117.09 1xsj h TYR 194 Ca -0.26 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 57.89 1xsj h TYR 194 Cb 1.21 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.55 1xsj h TYR 194 CO 0.46 0.75 -0.71 0.15 -1.05 0.00 0.00 178.16 177.76 1xsj s LYS 195 N -2.95 1.42 -0.10 4.88 1.02 -1.26 -3.65 119.74 119.10 1xsj s LYS 195 Ca 0.02 -1.96 -0.04 0.00 0.02 0.00 0.00 55.97 54.00 1xsj s LYS 195 Cb 0.09 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1xsj s LYS 195 CO 0.78 -1.05 0.07 -0.80 -0.92 0.00 0.00 175.35 173.42 1xsj s ASN 196 N 0.57 5.78 -0.08 2.83 0.01 -1.25 -0.62 114.94 122.18 1xsj s ASN 196 Ca 0.14 0.30 -0.03 0.00 -0.71 0.00 0.00 52.86 52.56 1xsj s ASN 196 Cb -0.22 -1.75 0.04 0.00 0.41 0.00 0.00 41.25 39.73 1xsj s ASN 196 CO -0.07 0.39 0.15 -0.63 -1.51 0.00 0.00 177.10 175.43 1xsj s ILE 197 N -0.96 -0.24 -0.02 0.60 -1.09 -1.21 -4.43 121.20 113.86 1xsj s ILE 197 Ca 0.14 0.36 -0.06 0.00 -2.23 0.00 0.00 60.65 58.86 1xsj s ILE 197 Cb -0.12 -0.27 -0.27 0.00 -1.58 0.00 0.00 42.46 40.22 1xsj s ILE 197 CO 0.03 0.15 3.62 -0.81 -1.23 0.00 0.00 174.94 176.70 1xsj n PRO 198 N 5.28 2.02 -4.94 2.79 -0.04 -1.26 -3.57 135.00 135.28 1xsj n PRO 198 Ca -0.05 -1.01 -0.28 0.00 -0.04 0.00 0.00 63.50 62.11 1xsj n PRO 198 Cb 0.50 -2.01 -0.17 0.00 -0.04 0.00 0.00 33.50 31.78 1xsj n PRO 198 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xsj s PHE 199 N 1.02 2.02 0.18 0.54 5.36 -1.26 -0.64 117.98 125.19 1xsj s PHE 199 Ca 0.67 -0.74 0.07 0.00 -0.96 0.00 0.00 56.93 55.97 1xsj s PHE 199 Cb 0.32 -1.38 -0.04 0.00 -0.34 0.00 0.00 43.02 41.57 1xsj s PHE 199 CO -0.00 -0.30 -0.13 1.52 -1.46 0.00 0.00 175.22 174.85 1xsj s TYR 200 N 0.33 1.54 0.21 10.12 -0.85 -0.58 0.22 117.35 128.34 1xsj s TYR 200 Ca -0.13 -0.63 0.02 0.00 -0.52 0.00 0.00 57.07 55.82 1xsj s TYR 200 Cb -0.16 -0.74 -0.05 0.00 0.38 0.00 0.00 41.96 41.39 1xsj s TYR 200 CO 0.05 0.25 0.02 0.00 -1.52 0.00 0.00 175.55 174.35 1xsj s MET 201 N -3.55 1.24 0.33 -3.49 0.23 -0.60 -0.40 119.30 113.06 1xsj s MET 201 Ca 0.19 -1.62 0.07 0.00 -1.03 0.00 0.00 55.69 53.30 1xsj s MET 201 Cb -0.00 -0.36 -0.07 0.00 -1.53 0.00 0.00 34.83 32.87 1xsj s MET 201 CO 0.04 -0.16 -0.05 0.95 -2.03 0.00 0.00 175.02 173.78 1xsj s THR 202 N -3.61 1.89 -1.67 3.16 -4.23 -0.77 -0.86 115.64 109.55 1xsj s THR 202 Ca 0.28 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1xsj s THR 202 Cb 0.06 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1xsj s THR 202 CO 0.07 -0.17 0.45 -0.46 -0.54 0.00 0.00 174.62 173.97 1xsj n ASN 203 N -0.75 0.18 -0.94 3.99 6.94 -0.97 -2.36 115.26 121.35 1xsj n ASN 203 Ca -0.05 -1.07 0.09 0.00 -0.02 0.00 0.00 54.58 53.53 1xsj n ASN 203 Cb 0.64 -0.09 0.20 0.00 -2.36 0.00 0.00 39.78 38.18 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 -0.26 2.50 -2.74 -3.83 5.12 -1.26 -4.96 116.66 111.24 1xsj n ARG 204 Ca 0.00 -2.19 -0.06 0.00 -1.93 0.00 0.00 57.85 53.67 1xsj n ARG 204 Cb 0.04 -1.41 0.02 0.00 -1.16 0.00 0.00 32.46 29.96 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 1.08 0.58 3.22 -0.13 0.00 -0.99 -4.92 105.19 104.02 1xsj n GLY 205 Ca 0.17 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.08 0.69 0.21 1.61 -0.85 -1.26 -1.68 117.35 112.99 1xsj s TYR 206 Ca 0.13 -1.06 0.03 0.00 -0.52 0.00 0.00 57.07 55.66 1xsj s TYR 206 Cb -0.06 -0.32 -0.05 0.00 0.38 0.00 0.00 41.96 41.91 1xsj s TYR 206 CO 0.17 -0.60 -0.01 0.20 -1.52 0.00 0.00 175.55 173.80 1xsj s GLY 207 N -3.02 1.44 -0.03 5.49 0.00 0.68 -1.84 107.32 110.03 1xsj s GLY 207 Ca 0.22 -1.70 -0.01 0.00 0.00 0.00 0.00 44.72 43.22 1xsj s GLY 207 CO 0.01 -1.62 0.06 -1.34 0.00 0.00 0.00 173.10 170.21 1xsj s VAL 208 N -3.49 -0.09 -0.21 1.40 -7.23 0.46 -0.21 120.40 111.04 1xsj s VAL 208 Ca 0.27 0.30 -0.06 0.00 -1.81 0.00 0.00 61.98 60.68 1xsj s VAL 208 Cb 0.06 -0.13 -0.03 0.00 0.56 0.00 0.00 36.38 36.84 1xsj s VAL 208 CO 0.07 0.12 0.03 -0.22 -0.31 0.00 0.00 175.10 174.80 1xsj s LEU 209 N 1.55 3.44 -0.31 1.32 2.96 -0.47 -1.53 118.68 125.64 1xsj s LEU 209 Ca -0.03 -0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 53.59 1xsj s LEU 209 Cb -0.12 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 1xsj s LEU 209 CO -0.03 0.07 0.37 -0.69 -1.32 0.00 0.00 176.35 174.75 1xsj s VAL 210 N 0.99 5.16 -1.37 1.68 1.01 0.19 -0.65 120.40 127.40 1xsj s VAL 210 Ca 0.03 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 1xsj s VAL 210 Cb -0.14 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 32.56 1xsj s VAL 210 CO 0.02 0.02 2.46 -3.20 0.00 0.00 0.00 175.10 174.40 1xsj n ASN 211 N 5.39 8.01 -3.65 3.32 5.15 0.42 -4.77 115.26 129.12 1xsj n ASN 211 Ca -0.09 -3.05 -0.21 0.00 -0.60 0.00 0.00 54.58 50.64 1xsj n ASN 211 Cb 0.50 -1.40 -0.17 0.00 -0.53 0.00 0.00 39.78 38.17 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 -0.52 0.06 0.33 1.20 3.76 -1.26 -4.79 115.29 114.07 1xsj s HIS 212 Ca 0.56 0.17 0.29 0.00 -0.15 0.00 0.00 55.06 55.93 1xsj s HIS 212 Cb 0.18 -0.50 1.42 0.00 1.11 0.00 0.00 32.58 34.79 1xsj s HIS 212 CO -0.09 -0.27 2.03 -1.35 -0.85 0.00 0.00 174.74 174.22 1xsj h PRO 213 N 8.43 0.00 0.00 8.40 0.11 -1.88 -3.44 132.00 143.61 1xsj h PRO 213 Ca -0.13 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.79 1xsj h PRO 213 Cb 1.13 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.33 1xsj h PRO 213 CO 0.18 0.11 0.10 0.00 -0.21 0.00 0.00 178.00 178.18 1xsj n GLN 214 N -3.44 -1.61 -1.73 1.05 0.00 -1.26 -4.41 117.38 106.00 1xsj n GLN 214 Ca -0.01 -0.87 -0.42 0.00 0.00 0.00 0.00 57.00 55.70 1xsj n GLN 214 Cb 0.27 -0.74 -0.03 0.00 0.00 0.00 0.00 30.24 29.75 1xsj n GLN 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsj s VAL 216 N 4.05 4.29 -0.38 0.00 1.01 -1.26 -4.54 120.40 123.56 1xsj s VAL 216 Ca 0.85 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 1xsj s VAL 216 Cb -0.42 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1xsj s VAL 216 CO 0.39 0.47 0.25 -0.55 0.00 0.00 0.00 175.10 175.67 1xsj s SER 217 N 0.41 5.94 -0.14 3.32 0.15 -0.62 -1.95 113.70 120.81 1xsj s SER 217 Ca -0.01 -0.84 -0.12 0.00 0.70 0.00 0.00 55.95 55.68 1xsj s SER 217 Cb -0.13 -2.10 -0.05 0.00 -1.71 0.00 0.00 66.02 62.03 1xsj s SER 217 CO 0.02 -0.38 0.25 -0.36 1.20 0.00 0.00 173.24 173.97 1xsj s PHE 218 N 1.64 3.50 -0.44 3.44 0.40 0.81 -1.95 117.98 125.39 1xsj s PHE 218 Ca 0.04 0.58 -0.03 0.00 -0.60 0.00 0.00 56.93 56.93 1xsj s PHE 218 Cb -0.19 -2.24 0.12 0.00 0.51 0.00 0.00 43.02 41.22 1xsj s PHE 218 CO 0.09 0.37 0.23 -1.21 0.70 0.00 0.00 175.22 175.40 1xsj s GLU 219 N 0.04 2.06 -0.84 0.44 0.41 0.18 -0.86 118.70 120.12 1xsj s GLU 219 Ca 0.16 -1.93 -0.19 0.00 -0.41 0.00 0.00 54.97 52.60 1xsj s GLU 219 Cb -0.13 -3.59 0.13 0.00 -1.78 0.00 0.00 34.13 28.76 1xsj s GLU 219 CO 0.04 -1.08 1.02 0.08 -0.49 0.00 0.00 175.26 174.83 1xsj s VAL 220 N 0.95 4.77 -1.83 2.63 1.01 0.17 -1.62 120.40 126.48 1xsj s VAL 220 Ca 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1xsj s VAL 220 Cb -0.22 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 31.45 1xsj s VAL 220 CO -0.04 -1.41 0.00 0.61 0.00 0.00 0.00 175.10 174.26 1xsj n GLY 221 N 5.29 0.78 0.00 4.51 0.00 -0.22 -0.55 105.19 115.01 1xsj n GLY 221 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.50 1.24 -0.01 1.61 3.41 -1.26 -3.92 113.62 113.19 1xsj n SER 222 Ca -0.20 -0.45 -0.04 0.00 -0.26 0.00 0.00 58.87 57.91 1xsj n SER 222 Cb 0.64 1.24 -0.01 0.00 -0.26 0.00 0.00 64.21 65.81 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 -1.56 0.15 -3.73 4.33 2.13 -1.26 -4.93 120.64 115.77 1xsj n GLU 223 Ca 0.00 0.06 -0.38 0.00 0.66 0.00 0.00 57.16 57.51 1xsj n GLU 223 Cb 0.24 -0.76 -0.12 0.00 0.27 0.00 0.00 31.44 31.07 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 -2.21 2.96 0.57 5.31 -0.14 -1.26 -4.97 119.74 120.00 1xsj s LYS 224 Ca -0.09 -0.95 0.32 0.00 -1.36 0.00 0.00 55.97 53.89 1xsj s LYS 224 Cb 0.02 -3.44 1.71 0.00 -1.68 0.00 0.00 37.83 34.44 1xsj s LYS 224 CO 0.12 -0.52 2.16 -0.39 -0.76 0.00 0.00 175.35 175.95 1xsj h VAL 225 N 5.93 0.37 -0.45 3.17 -1.51 -1.92 -2.31 116.25 119.52 1xsj h VAL 225 Ca -0.29 -0.34 -0.21 0.00 -1.23 0.00 0.00 66.70 64.64 1xsj h VAL 225 Cb 1.11 1.24 -0.13 0.00 -2.13 0.00 0.00 31.29 31.39 1xsj h VAL 225 CO 0.61 0.06 0.05 -1.54 -1.23 0.00 0.00 177.57 175.52 1xsj n SER 226 N -3.48 2.92 -3.90 4.19 3.41 -1.26 -4.55 113.62 110.95 1xsj n SER 226 Ca -0.02 -3.64 -0.10 0.00 -0.26 0.00 0.00 58.87 54.85 1xsj n SER 226 Cb 0.19 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 63.38 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 0.56 -0.31 4.33 1.02 -0.87 -0.53 119.74 120.74 1xsj s LYS 227 Ca 0.47 -0.62 -0.10 0.00 0.02 0.00 0.00 55.97 55.73 1xsj s LYS 227 Cb 0.41 0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.93 1xsj s LYS 227 CO 0.03 -0.14 0.17 0.08 -0.92 0.00 0.00 175.35 174.57 1xsj s VAL 228 N -2.17 4.83 -0.11 3.17 1.01 0.02 -1.05 120.40 126.10 1xsj s VAL 228 Ca -0.09 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1xsj s VAL 228 Cb -0.04 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1xsj s VAL 228 CO -0.02 0.09 0.24 -1.58 0.00 0.00 0.00 175.10 173.82 1xsj s GLN 229 N 1.66 3.80 0.01 2.72 0.74 -0.64 -0.65 119.66 127.30 1xsj s GLN 229 Ca 0.05 0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.51 1xsj s GLN 229 Cb -0.17 -3.27 -0.01 0.00 1.10 0.00 0.00 33.01 30.66 1xsj s GLN 229 CO 0.08 0.60 -0.02 -0.59 -0.55 0.00 0.00 175.29 174.81 1xsj s PHE 230 N -0.60 0.16 0.04 1.67 -0.12 0.87 -0.65 117.98 119.34 1xsj s PHE 230 Ca 0.17 -0.25 -0.08 0.00 -0.05 0.00 0.00 56.93 56.72 1xsj s PHE 230 Cb -0.13 -0.11 -0.00 0.00 -0.63 0.00 0.00 43.02 42.15 1xsj s PHE 230 CO 0.06 -0.08 0.15 -1.54 -0.05 0.00 0.00 175.22 173.75 1xsj s SER 231 N -0.69 0.09 -0.04 1.98 1.04 -0.82 -0.97 113.70 114.29 1xsj s SER 231 Ca -0.07 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 1xsj s SER 231 Cb -0.05 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1xsj s SER 231 CO -0.00 -0.52 0.25 0.54 0.98 0.00 0.00 173.24 174.48 1xsj s VAL 232 N -2.49 0.04 -0.59 5.02 0.11 -0.67 -1.59 120.40 120.23 1xsj s VAL 232 Ca -0.06 -0.34 -0.28 0.00 -2.93 0.00 0.00 61.98 58.38 1xsj s VAL 232 Cb -0.02 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1xsj s VAL 232 CO -0.04 -0.19 1.45 -0.70 -3.33 0.00 0.00 175.10 172.29 1xsj s GLU 233 N -0.75 3.21 -0.21 1.54 2.12 -1.26 -1.71 118.70 121.64 1xsj s GLU 233 Ca -0.08 0.38 -0.31 0.00 0.36 0.00 0.00 54.97 55.31 1xsj s GLU 233 Cb -0.04 -4.16 0.15 0.00 0.26 0.00 0.00 34.13 30.34 1xsj s GLU 233 CO 0.02 -2.05 1.19 0.45 -0.54 0.00 0.00 175.26 174.32 1xsj s SER 234 N 4.74 -0.18 0.00 -1.70 0.15 -1.06 -4.98 113.70 110.67 1xsj s SER 234 Ca 0.52 0.12 0.29 0.00 0.70 0.00 0.00 55.95 57.58 1xsj s SER 234 Cb -0.11 0.16 1.41 0.00 -1.71 0.00 0.00 66.02 65.77 1xsj s SER 234 CO 0.23 -0.21 1.99 -0.62 1.20 0.00 0.00 173.24 175.83 1xsj n GLU 235 N 0.33 0.30 -3.94 5.44 -0.58 -1.26 -3.58 120.64 117.36 1xsj n GLU 235 Ca -0.03 0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.63 1xsj n GLU 235 Cb 0.58 -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 -2.69 0.25 -0.06 -0.32 -0.85 -1.26 -0.99 117.35 111.43 1xsj s TYR 236 Ca 0.24 -0.65 0.03 0.00 -0.52 0.00 0.00 57.07 56.17 1xsj s TYR 236 Cb 0.19 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.37 1xsj s TYR 236 CO 0.47 -0.42 -0.16 -1.17 -1.52 0.00 0.00 175.55 172.74 1xsj s LEU 237 N -2.53 1.84 -0.09 -3.49 2.96 0.14 -4.84 118.68 112.66 1xsj s LEU 237 Ca 0.01 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1xsj s LEU 237 Cb 0.03 -1.00 0.01 0.00 0.50 0.00 0.00 46.19 45.73 1xsj s LEU 237 CO -0.08 0.10 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.22 1xsj s GLU 238 N 0.36 1.97 0.04 1.98 2.12 -1.26 0.81 118.70 124.72 1xsj s GLU 238 Ca -0.11 -0.48 -0.00 0.00 0.36 0.00 0.00 54.97 54.73 1xsj s GLU 238 Cb -0.15 -1.67 -0.03 0.00 0.26 0.00 0.00 34.13 32.55 1xsj s GLU 238 CO 0.04 -0.03 -0.04 1.52 -0.54 0.00 0.00 175.26 176.22 1xsj s TYR 239 N 0.87 0.47 -0.15 5.30 1.13 -0.27 -0.44 117.35 124.27 1xsj s TYR 239 Ca -0.10 -0.85 0.01 0.00 -1.41 0.00 0.00 57.07 54.72 1xsj s TYR 239 Cb -0.15 -0.33 -0.00 0.00 -1.10 0.00 0.00 41.96 40.37 1xsj s TYR 239 CO 0.01 -0.28 -0.17 -0.06 -2.51 0.00 0.00 175.55 172.54 1xsj s PHE 240 N -2.96 2.75 -0.19 -3.49 0.08 0.18 -0.53 117.98 113.83 1xsj s PHE 240 Ca -0.01 -1.04 -0.19 0.00 0.12 0.00 0.00 56.93 55.82 1xsj s PHE 240 Cb 0.01 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 1xsj s PHE 240 CO -0.06 -0.46 0.52 0.08 -0.10 0.00 0.00 175.22 175.20 1xsj s VAL 241 N 0.72 5.11 -0.23 -0.44 1.01 0.03 -1.37 120.40 125.24 1xsj s VAL 241 Ca -0.07 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 1xsj s VAL 241 Cb -0.16 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1xsj s VAL 241 CO 0.01 0.19 -0.09 -0.63 0.00 0.00 0.00 175.10 174.58 1xsj s ILE 242 N 1.53 2.79 0.60 2.22 1.01 0.71 -0.95 121.20 129.11 1xsj s ILE 242 Ca 0.25 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 1xsj s ILE 242 Cb -0.15 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1xsj s ILE 242 CO 0.10 0.31 1.06 -0.62 0.00 0.00 0.00 174.94 175.79 1xsj s ASP 243 N 1.34 5.70 0.00 3.58 2.15 -0.30 -0.23 116.67 128.91 1xsj s ASP 243 Ca 0.02 1.84 0.00 0.00 0.43 0.00 0.00 52.55 54.84 1xsj s ASP 243 Cb -0.15 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1xsj s ASP 243 CO -0.06 -1.22 0.00 0.61 -0.17 0.00 0.00 175.17 174.33 1xsj n GLY 244 N -0.92 0.02 0.32 2.66 0.00 -0.68 -3.99 105.19 102.61 1xsj n GLY 244 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 1.40 -4.74 1.61 -0.04 -1.26 -4.64 135.00 127.32 1xsj n PRO 245 Ca 0.00 -0.59 -0.30 0.00 -0.04 0.00 0.00 63.50 62.57 1xsj n PRO 245 Cb 0.00 -1.15 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1xsj n PRO 245 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1xsj s THR 246 N -1.76 2.35 0.25 0.52 -1.32 -1.26 -4.13 115.64 110.29 1xsj s THR 246 Ca 0.11 -1.40 -0.05 0.00 -1.21 0.00 0.00 61.69 59.14 1xsj s THR 246 Cb 0.06 -1.96 0.27 0.00 -1.51 0.00 0.00 72.50 69.36 1xsj s THR 246 CO 0.07 0.31 1.65 -0.65 -2.21 0.00 0.00 174.62 173.79 1xsj h PRO 247 N 4.54 0.15 -0.18 7.08 0.11 -1.87 0.12 132.00 141.96 1xsj h PRO 247 Ca -0.48 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1xsj h PRO 247 Cb 1.15 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1xsj h PRO 247 CO 0.44 0.10 -0.14 0.87 -0.21 0.00 0.00 178.00 179.06 1xsj h LYS 248 N 0.16 0.29 -0.01 1.05 1.57 -1.96 -2.23 116.57 115.43 1xsj h LYS 248 Ca 0.44 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 59.00 1xsj h LYS 248 Cb 0.79 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1xsj h LYS 248 CO -0.63 0.43 -0.70 0.00 -0.57 0.00 0.00 179.45 177.98 1xsj h ALA 249 N 1.59 0.81 0.10 3.86 0.00 -1.35 -1.54 119.26 122.73 1xsj h ALA 249 Ca 0.05 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1xsj h ALA 249 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xsj h ALA 249 CO 0.02 0.85 -0.05 0.28 0.00 0.00 0.00 179.25 180.36 1xsj h VAL 250 N 0.04 0.90 0.00 0.00 2.07 -0.44 -2.57 116.25 116.25 1xsj h VAL 250 Ca -0.01 -0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1xsj h VAL 250 Cb 1.25 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1xsj h VAL 250 CO 0.10 0.00 -0.33 -0.07 0.02 0.00 0.00 177.57 177.29 1xsj h LEU 251 N -0.14 0.00 0.22 2.57 3.38 -1.23 0.11 115.31 120.22 1xsj h LEU 251 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xsj h LEU 251 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xsj h LEU 251 CO 0.02 0.33 -0.11 -0.78 0.09 0.00 0.00 178.44 177.99 1xsj h ASP 252 N 0.00 -0.25 -0.41 -0.43 3.58 -1.23 0.10 116.42 117.78 1xsj h ASP 252 Ca -0.00 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 1xsj h ASP 252 Cb 0.62 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 1xsj h ASP 252 CO 0.04 0.00 0.24 0.03 -2.88 0.00 0.00 179.24 176.68 1xsj h ARG 253 N -0.51 0.55 -0.70 0.28 3.08 -1.08 -1.40 114.38 114.61 1xsj h ARG 253 Ca -0.03 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.06 1xsj h ARG 253 Cb 0.38 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 1xsj h ARG 253 CO 0.05 0.41 0.35 -0.92 -1.07 0.00 0.00 179.97 178.79 1xsj h TYR 254 N 0.54 0.62 0.01 3.04 3.20 -0.69 0.18 116.97 123.87 1xsj h TYR 254 Ca 0.15 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.83 1xsj h TYR 254 Cb 0.00 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 1xsj h TYR 254 CO -0.03 0.23 -1.03 1.79 -1.64 0.00 0.00 178.16 177.48 1xsj h THR 255 N 0.60 1.69 -0.93 1.81 1.35 -0.71 0.24 112.91 116.95 1xsj h THR 255 Ca 0.34 -3.39 0.03 0.00 -0.55 0.00 0.00 66.41 62.84 1xsj h THR 255 Cb 0.35 2.85 -0.05 0.00 -1.73 0.00 0.00 68.15 69.57 1xsj h THR 255 CO -0.26 0.97 0.61 -0.09 -0.25 0.00 0.00 175.52 176.50 1xsj h ARG 256 N 0.01 1.17 -0.14 4.72 2.43 -0.98 0.23 114.38 121.81 1xsj h ARG 256 Ca -0.02 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1xsj h ARG 256 Cb 1.79 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 31.08 1xsj h ARG 256 CO 0.14 0.77 -0.19 0.35 -1.51 0.00 0.00 179.97 179.53 1xsj h PHE 257 N 1.20 0.46 0.00 2.20 3.57 -0.27 -3.39 116.94 120.72 1xsj h PHE 257 Ca 0.36 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1xsj h PHE 257 Cb -0.04 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1xsj h PHE 257 CO -0.01 0.80 -1.08 0.25 -2.23 0.00 0.00 178.31 176.04 1xsj n THR 258 N -4.51 0.00 0.00 4.41 -2.24 0.81 -0.55 114.28 112.20 1xsj n THR 258 Ca -0.06 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1xsj n THR 258 Cb 0.39 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.64 4.12 3.72 3.38 0.00 0.80 -4.01 105.19 114.84 1xsj n GLY 259 Ca -0.00 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.88 4.49 0.20 1.61 1.81 -1.12 -4.48 118.95 118.57 1xsj s ARG 260 Ca 0.00 1.08 -0.33 0.00 -1.72 0.00 0.00 55.73 54.76 1xsj s ARG 260 Cb 0.00 -3.42 -0.14 0.00 -0.45 0.00 0.00 34.95 30.94 1xsj s ARG 260 CO 0.00 0.12 1.47 -2.30 -0.68 0.00 0.00 175.30 173.91 1xsj n PRO 261 N 3.45 2.02 -1.35 3.54 -0.02 -1.25 -4.09 135.00 137.31 1xsj n PRO 261 Ca 0.00 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.90 1xsj n PRO 261 Cb 0.51 -2.43 0.10 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.39 2.16 -0.45 3.55 0.00 -1.25 -4.05 121.76 122.10 1xsj s ALA 262 Ca 0.74 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 52.55 1xsj s ALA 262 Cb -0.68 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.25 1xsj s ALA 262 CO 0.44 -1.81 0.74 -1.17 0.00 0.00 0.00 175.76 173.97 1xsj s LEU 263 N -5.91 4.34 0.66 0.00 2.96 -1.26 -4.75 118.68 114.73 1xsj s LEU 263 Ca 0.61 -0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 54.16 1xsj s LEU 263 Cb -0.16 -2.88 0.00 0.00 0.50 0.00 0.00 46.19 43.65 1xsj s LEU 263 CO 0.56 -0.88 1.14 -2.84 -1.32 0.00 0.00 176.35 173.01 1xsj s PRO 264 N 3.14 2.70 0.57 0.98 0.02 -1.26 -4.92 135.00 136.22 1xsj s PRO 264 Ca 0.27 1.54 -0.20 0.00 0.02 0.00 0.00 61.00 62.63 1xsj s PRO 264 Cb -0.13 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1xsj s PRO 264 CO 0.21 -1.35 1.28 -1.25 -0.33 0.00 0.00 177.00 175.56 1xsj s PRO 265 N -3.90 3.06 0.46 5.54 0.04 -1.25 -4.92 135.00 134.05 1xsj s PRO 265 Ca 0.70 2.04 0.16 0.00 0.04 0.00 0.00 61.00 63.94 1xsj s PRO 265 Cb -0.24 -2.11 1.13 0.00 0.04 0.00 0.00 34.50 33.31 1xsj s PRO 265 CO 0.40 -1.19 2.01 0.00 0.04 0.00 0.00 177.00 178.26 1xsj h ALA 266 N 1.22 2.09 -0.29 8.56 0.00 -1.90 -1.64 119.26 127.30 1xsj h ALA 266 Ca -0.51 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.45 1xsj h ALA 266 Cb 1.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1xsj h ALA 266 CO 0.56 -0.20 0.20 0.11 0.00 0.00 0.00 179.25 179.93 1xsj h TRP 267 N 0.28 0.12 0.00 0.00 5.08 -1.91 -1.65 115.95 117.87 1xsj h TRP 267 Ca 0.22 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.20 1xsj h TRP 267 Cb 0.52 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 1xsj h TRP 267 CO -0.00 0.07 0.00 0.66 -1.28 0.00 0.00 178.44 177.89 1xsj h SER 268 N 0.12 0.00 0.13 0.11 4.64 -1.66 -2.07 113.55 114.81 1xsj h SER 268 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1xsj h SER 268 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1xsj h SER 268 CO -0.02 0.00 -0.01 0.49 -0.87 0.00 0.00 176.83 176.42 1xsj n PHE 269 N -2.53 0.00 -0.46 4.77 3.72 -0.62 -4.73 117.46 117.61 1xsj n PHE 269 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1xsj n PHE 269 Cb 0.25 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1xsj n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xsj n GLY 270 N 1.09 -1.02 3.70 1.37 0.00 -0.78 -4.80 105.19 104.75 1xsj n GLY 270 Ca 0.21 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 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 4.24 -0.01 0.99 2.96 -1.26 -4.32 118.68 121.28 1xsj s LEU 271 Ca 0.00 0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 54.70 1xsj s LEU 271 Cb 0.00 -2.86 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 1xsj s LEU 271 CO 0.00 -0.12 0.36 0.26 -1.32 0.00 0.00 176.35 175.52 1xsj s TRP 272 N 1.11 3.68 0.00 5.38 0.52 0.09 -1.44 118.94 128.29 1xsj s TRP 272 Ca 0.30 0.87 0.03 0.00 0.02 0.00 0.00 56.10 57.32 1xsj s TRP 272 Cb -0.16 -2.20 -0.01 0.00 -1.15 0.00 0.00 33.47 29.95 1xsj s TRP 272 CO 0.12 0.64 -0.10 -1.17 0.02 0.00 0.00 176.95 176.47 1xsj s LEU 273 N -1.21 2.06 0.47 2.99 1.98 -0.47 -1.25 118.68 123.25 1xsj s LEU 273 Ca 0.24 -0.25 0.06 0.00 -2.89 0.00 0.00 54.13 51.28 1xsj s LEU 273 Cb -0.15 -0.49 -0.01 0.00 0.66 0.00 0.00 46.19 46.19 1xsj s LEU 273 CO 0.12 0.08 0.26 0.42 -1.89 0.00 0.00 176.35 175.34 1xsj s THR 274 N -0.43 1.95 -1.40 3.68 -4.23 -0.82 -0.08 115.64 114.31 1xsj s THR 274 Ca 0.02 -1.63 0.23 0.00 -1.18 0.00 0.00 61.69 59.14 1xsj s THR 274 Cb -0.05 -2.58 0.39 0.00 1.34 0.00 0.00 72.50 71.61 1xsj s THR 274 CO -0.00 0.00 1.77 0.35 -0.54 0.00 0.00 174.62 176.20 1xsj n THR 275 N -1.46 0.27 -1.21 3.99 -2.24 -0.78 -4.83 114.28 108.03 1xsj n THR 275 Ca -0.03 0.07 0.16 0.00 -2.27 0.00 0.00 64.05 61.97 1xsj n THR 275 Cb 0.65 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.30 -7.21 0.00 3.42 7.64 -1.26 -4.75 113.62 110.17 1xsj n SER 276 Ca 0.11 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1xsj n SER 276 Cb 0.19 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.63 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 -3.85 0.00 -0.37 1.43 7.35 -0.56 -4.53 117.46 116.93 1xsj n PHE 277 Ca -0.01 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.78 1xsj n PHE 277 Cb 0.56 -0.16 0.33 0.00 0.35 0.00 0.00 39.48 40.55 1xsj n PHE 277 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1xsj n THR 278 N -1.57 1.31 -0.68 -2.13 -2.24 -0.59 -4.55 114.28 103.83 1xsj n THR 278 Ca 0.00 -1.03 -0.29 0.00 -2.27 0.00 0.00 64.05 60.46 1xsj n THR 278 Cb 0.00 0.31 0.25 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.40 1.80 0.18 4.28 -4.23 -1.26 -4.99 115.64 110.02 1xsj s THR 279 Ca 0.48 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.79 1xsj s THR 279 Cb 0.28 -2.19 -0.08 0.00 1.34 0.00 0.00 72.50 71.85 1xsj s THR 279 CO 0.29 0.00 0.69 0.20 -0.54 0.00 0.00 174.62 175.26 1xsj s ASN 280 N -2.97 7.11 -0.27 3.99 0.02 -1.26 -5.03 114.94 116.53 1xsj s ASN 280 Ca 0.68 1.41 -0.23 0.00 -1.02 0.00 0.00 52.86 53.69 1xsj s ASN 280 Cb -0.20 -2.41 0.07 0.00 0.02 0.00 0.00 41.25 38.73 1xsj s ASN 280 CO 0.61 0.12 0.71 -0.72 0.02 0.00 0.00 177.10 177.84 1xsj s TYR 281 N -1.36 -0.82 0.00 2.20 1.13 -1.26 -5.01 117.35 112.22 1xsj s TYR 281 Ca 0.38 1.94 0.00 0.00 -1.41 0.00 0.00 57.07 57.98 1xsj s TYR 281 Cb -0.18 0.32 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 1xsj s TYR 281 CO 0.22 -0.40 0.00 -0.40 -2.51 0.00 0.00 175.55 172.46 1xsj n ASP 282 N 2.93 0.00 -0.32 -0.18 3.85 -1.26 -4.95 116.55 116.62 1xsj n ASP 282 Ca -0.15 -0.74 -0.04 0.00 -0.71 0.00 0.00 54.79 53.15 1xsj n ASP 282 Cb 0.56 0.00 0.08 0.00 -1.35 0.00 0.00 41.12 40.41 1xsj n ASP 282 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1xsj h GLU 283 N 0.00 1.19 -0.47 0.11 4.81 -1.97 -1.62 114.58 116.64 1xsj h GLU 283 Ca 0.00 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1xsj h GLU 283 Cb 0.00 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 1xsj h GLU 283 CO 0.00 0.86 0.04 0.00 -0.73 0.00 0.00 179.01 179.18 1xsj h ALA 284 N 1.26 0.62 -0.43 2.92 0.00 -1.97 -0.18 119.26 121.48 1xsj h ALA 284 Ca 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xsj h ALA 284 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xsj h ALA 284 CO -0.05 0.38 0.21 1.15 0.00 0.00 0.00 179.25 180.94 1xsj h THR 285 N 0.65 1.18 -0.73 0.00 2.02 -1.88 -0.62 112.91 113.52 1xsj h THR 285 Ca 0.14 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1xsj h THR 285 Cb 0.44 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1xsj h THR 285 CO 0.02 0.19 0.22 0.58 0.37 0.00 0.00 175.52 176.89 1xsj h VAL 286 N 0.56 1.26 -0.50 3.16 2.07 -1.13 -1.97 116.25 119.70 1xsj h VAL 286 Ca 0.15 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1xsj h VAL 286 Cb 0.11 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1xsj h VAL 286 CO -0.02 0.36 0.14 0.78 0.02 0.00 0.00 177.57 178.85 1xsj h ASN 287 N 1.08 0.69 0.13 0.57 2.35 -0.79 -2.33 115.58 117.27 1xsj h ASN 287 Ca 0.23 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1xsj h ASN 287 Cb 0.32 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1xsj h ASN 287 CO -0.01 0.67 -0.29 0.77 -1.65 0.00 0.00 177.43 176.93 1xsj h SER 288 N 0.73 0.26 0.02 5.81 4.64 -0.42 0.44 113.55 125.02 1xsj h SER 288 Ca 0.17 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1xsj h SER 288 Cb 0.25 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1xsj h SER 288 CO -0.01 0.55 -0.01 -0.26 -0.87 0.00 0.00 176.83 176.23 1xsj h PHE 289 N 0.23 -0.03 0.07 4.77 -1.00 -1.08 0.14 116.94 120.05 1xsj h PHE 289 Ca 0.03 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 1xsj h PHE 289 Cb 0.63 0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1xsj h PHE 289 CO 0.01 0.39 -0.04 0.82 -1.61 0.00 0.00 178.31 177.89 1xsj h ILE 290 N -0.45 1.09 -0.63 -0.55 2.04 -1.28 -0.77 117.51 116.97 1xsj h ILE 290 Ca -0.00 -0.58 0.12 0.00 1.00 0.00 0.00 64.86 65.40 1xsj h ILE 290 Cb 0.43 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1xsj h ILE 290 CO 0.00 0.14 0.42 0.44 0.00 0.00 0.00 178.15 179.16 1xsj h ASP 291 N -0.36 0.31 -0.47 1.72 3.32 -1.01 -1.83 116.42 118.10 1xsj h ASP 291 Ca -0.01 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1xsj h ASP 291 Cb 0.31 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1xsj h ASP 291 CO 0.02 0.18 0.10 1.23 -1.72 0.00 0.00 179.24 179.05 1xsj h GLY 292 N 0.34 0.82 0.85 2.75 0.00 -0.26 -0.03 103.07 107.54 1xsj h GLY 292 Ca 0.30 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1xsj h GLY 292 CO -0.08 0.49 0.02 -0.33 0.00 0.00 0.00 176.54 176.65 1xsj h MET 293 N 0.63 0.10 -0.37 4.80 2.86 -0.55 -2.65 114.93 119.76 1xsj h MET 293 Ca 0.15 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1xsj h MET 293 Cb 0.35 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1xsj h MET 293 CO 0.00 0.24 0.17 0.00 1.06 0.00 0.00 176.91 178.38 1xsj h ALA 294 N 0.86 0.48 -0.67 6.32 0.00 -1.28 0.99 119.26 125.95 1xsj h ALA 294 Ca 0.02 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1xsj h ALA 294 Cb 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1xsj h ALA 294 CO -0.00 0.05 0.46 0.93 0.00 0.00 0.00 179.25 180.68 1xsj h GLU 295 N 0.46 0.29 -0.64 0.00 5.08 -1.00 0.19 114.58 118.95 1xsj h GLU 295 Ca 0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xsj h GLU 295 Cb 0.13 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xsj h GLU 295 CO -0.01 0.19 0.00 0.54 -1.00 0.00 0.00 179.01 178.73 1xsj n ARG 296 N -4.45 3.89 -3.85 2.33 1.74 -0.95 -4.95 116.66 110.41 1xsj n ARG 296 Ca 0.13 -2.93 -0.25 0.00 -0.77 0.00 0.00 57.85 54.02 1xsj n ARG 296 Cb 0.54 -1.94 0.01 0.00 -1.02 0.00 0.00 32.46 30.05 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 1.05 -1.83 -4.25 0.55 3.02 0.66 -4.97 115.26 109.50 1xsj n ASN 297 Ca 0.26 -0.88 -0.38 0.00 -0.03 0.00 0.00 54.58 53.56 1xsj n ASN 297 Cb 0.93 -3.65 -0.12 0.00 -0.61 0.00 0.00 39.78 36.33 1xsj n ASN 297 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xsj s LEU 298 N -6.93 4.47 0.35 3.41 1.43 0.29 -4.91 118.68 116.80 1xsj s LEU 298 Ca 0.19 -1.27 -0.28 0.00 -1.03 0.00 0.00 54.13 51.74 1xsj s LEU 298 Cb -0.10 -1.87 -0.12 0.00 0.03 0.00 0.00 46.19 44.13 1xsj s LEU 298 CO 0.84 -0.37 1.39 -2.65 0.23 0.00 0.00 176.35 175.79 1xsj n PRO 299 N 4.79 2.38 -3.98 1.29 -0.02 -1.26 -4.36 135.00 133.84 1xsj n PRO 299 Ca -0.11 0.83 -0.14 0.00 -2.02 0.00 0.00 63.50 62.06 1xsj n PRO 299 Cb 0.44 -2.49 -0.15 0.00 -0.02 0.00 0.00 33.50 31.29 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 -1.41 1.81 0.00 2.45 1.98 -1.26 -4.79 118.68 117.45 1xsj s LEU 300 Ca 0.55 -0.04 0.00 0.00 -2.89 0.00 0.00 54.13 51.75 1xsj s LEU 300 Cb -0.53 -0.14 0.00 0.00 0.66 0.00 0.00 46.19 46.18 1xsj s LEU 300 CO 0.62 -0.00 0.00 1.41 -1.89 0.00 0.00 176.35 176.49 1xsj n HIS 301 N 3.28 0.00 -4.16 5.38 8.25 -0.52 -4.85 115.22 122.59 1xsj n HIS 301 Ca -0.16 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.12 1xsj n HIS 301 Cb 0.57 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.85 0.47 -0.12 1.59 1.01 -0.76 -1.06 120.40 119.68 1xsj s VAL 302 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1xsj s VAL 302 Cb 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1xsj s VAL 302 CO 0.00 0.18 -0.12 0.12 0.00 0.00 0.00 175.10 175.28 1xsj s PHE 303 N 0.51 2.82 -0.14 5.22 5.36 0.27 -1.37 117.98 130.65 1xsj s PHE 303 Ca -0.06 -0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 55.37 1xsj s PHE 303 Cb -0.10 -1.82 -0.02 0.00 -0.34 0.00 0.00 43.02 40.74 1xsj s PHE 303 CO -0.00 -0.12 -0.08 -1.58 -1.46 0.00 0.00 175.22 171.98 1xsj s HIS 304 N 0.16 2.92 -0.32 10.12 5.65 0.89 -1.31 115.29 133.41 1xsj s HIS 304 Ca -0.07 -0.43 -0.16 0.00 0.25 0.00 0.00 55.06 54.65 1xsj s HIS 304 Cb -0.15 -1.89 -0.02 0.00 -1.18 0.00 0.00 32.58 29.34 1xsj s HIS 304 CO 0.05 -0.09 0.42 -0.06 -0.65 0.00 0.00 174.74 174.40 1xsj s PHE 305 N 0.29 3.21 0.00 3.88 0.08 -0.73 -1.86 117.98 122.85 1xsj s PHE 305 Ca -0.06 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.17 1xsj s PHE 305 Cb -0.15 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.58 1xsj s PHE 305 CO 0.04 -0.40 0.00 -3.47 -0.10 0.00 0.00 175.22 171.29 1xsj n ASP 306 N 5.48 0.00 -0.33 1.36 2.03 -1.26 -1.34 116.55 122.49 1xsj n ASP 306 Ca -0.07 -0.81 0.20 0.00 0.52 0.00 0.00 54.79 54.63 1xsj n ASP 306 Cb 0.50 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.34 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 -4.72 0.00 0.27 0.00 3.72 -1.26 -2.30 117.46 113.16 1xsj n PHE 308 Ca 0.25 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.78 1xsj n PHE 308 Cb 0.79 -0.01 0.76 0.00 -0.94 0.00 0.00 39.48 40.07 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 0.02 0.00 -2.26 1.38 5.08 -1.73 -3.43 115.95 115.01 1xsj h TRP 309 Ca 0.00 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.49 1xsj h TRP 309 Cb 0.05 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.20 1xsj h TRP 309 CO 0.00 0.08 -0.44 -1.64 -1.28 0.00 0.00 178.44 175.16 1xsj s MET 310 N -4.44 3.42 0.29 0.12 -1.94 -0.97 -0.34 119.30 115.44 1xsj s MET 310 Ca -0.04 -0.74 -0.29 0.00 -1.71 0.00 0.00 55.69 52.91 1xsj s MET 310 Cb 0.14 -2.89 -0.10 0.00 2.01 0.00 0.00 34.83 33.99 1xsj s MET 310 CO 0.59 0.45 1.37 0.15 -0.01 0.00 0.00 175.02 177.56 1xsj s LYS 311 N -3.83 4.31 0.27 2.03 1.02 -1.26 -4.74 119.74 117.54 1xsj s LYS 311 Ca 0.34 2.26 -0.29 0.00 0.02 0.00 0.00 55.97 58.30 1xsj s LYS 311 Cb -0.09 -3.09 -0.14 0.00 -0.52 0.00 0.00 37.83 33.99 1xsj s LYS 311 CO 0.29 -0.30 1.00 0.00 -0.92 0.00 0.00 175.35 175.42 1xsj n ALA 312 N 1.47 -0.39 -0.87 5.17 0.00 -1.26 -1.95 120.51 122.66 1xsj n ALA 312 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1xsj n ALA 312 Cb 0.41 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 0.35 0.00 -0.54 0.00 3.72 -1.26 -4.79 117.46 114.95 1xsj n PHE 313 Ca 0.11 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.57 1xsj n PHE 313 Cb 0.31 -0.46 0.16 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.97 2.67 -1.62 -1.08 6.02 -0.82 -3.77 117.38 116.80 1xsj n GLN 314 Ca 0.00 -2.28 -0.33 0.00 -0.01 0.00 0.00 57.00 54.38 1xsj n GLN 314 Cb 0.02 -1.44 0.07 0.00 1.02 0.00 0.00 30.24 29.91 1xsj n GLN 314 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1xsj s TRP 315 N -1.86 2.41 0.00 1.08 0.51 -1.26 -2.15 118.94 117.68 1xsj s TRP 315 Ca 0.26 1.57 0.00 0.00 -2.12 0.00 0.00 56.10 55.82 1xsj s TRP 315 Cb 0.19 -3.27 0.00 0.00 -0.81 0.00 0.00 33.47 29.59 1xsj s TRP 315 CO 0.09 -2.01 0.00 0.00 -0.51 0.00 0.00 176.95 174.52 1xsj n ASP 317 N 0.72 2.56 -0.54 0.00 5.75 -0.91 -4.73 116.55 119.38 1xsj n ASP 317 Ca 0.00 -1.74 -0.07 0.00 -0.01 0.00 0.00 54.79 52.97 1xsj n ASP 317 Cb 0.00 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 39.99 1xsj n ASP 317 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1xsj n PHE 318 N 0.93 0.00 -3.80 2.11 3.72 -1.26 -4.99 117.46 114.17 1xsj n PHE 318 Ca 0.11 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.15 1xsj n PHE 318 Cb 0.43 -2.04 -0.10 0.00 -0.94 0.00 0.00 39.48 36.83 1xsj n PHE 318 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xsj s GLU 319 N -2.31 3.97 0.31 -1.08 0.41 -1.26 -5.05 118.70 113.68 1xsj s GLU 319 Ca 0.00 -0.33 -0.29 0.00 -0.41 0.00 0.00 54.97 53.94 1xsj s GLU 319 Cb 0.00 -3.39 -0.11 0.00 -1.78 0.00 0.00 34.13 28.86 1xsj s GLU 319 CO 0.00 0.10 1.45 -1.58 -0.49 0.00 0.00 175.26 174.74 1xsj s TRP 320 N 0.90 2.87 -0.11 1.61 0.52 -1.26 -4.10 118.94 119.37 1xsj s TRP 320 Ca 0.06 1.10 -0.29 0.00 0.02 0.00 0.00 56.10 56.99 1xsj s TRP 320 Cb -0.13 -3.88 -0.06 0.00 -1.15 0.00 0.00 33.47 28.24 1xsj s TRP 320 CO 0.03 -2.74 2.04 0.34 0.02 0.00 0.00 176.95 176.64 1xsj s ASP 321 N 0.08 5.99 0.17 2.95 -1.08 0.54 -4.82 116.67 120.50 1xsj s ASP 321 Ca 0.56 2.20 0.22 0.00 -0.52 0.00 0.00 52.55 55.01 1xsj s ASP 321 Cb -0.44 -2.52 0.89 0.00 -1.46 0.00 0.00 42.92 39.39 1xsj s ASP 321 CO 0.51 -1.49 1.68 -2.65 0.52 0.00 0.00 175.17 173.74 1xsj n PRO 322 N 8.10 0.15 -0.04 4.34 -0.02 -1.26 -1.23 135.00 145.03 1xsj n PRO 322 Ca 0.24 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1xsj n PRO 322 Cb 0.43 -1.75 -0.15 0.00 -0.02 0.00 0.00 33.50 32.02 1xsj n PRO 322 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xsj n LEU 323 N -2.02 0.70 0.02 2.45 4.77 -1.26 -3.43 117.00 118.23 1xsj n LEU 323 Ca 0.03 0.29 0.10 0.00 -0.03 0.00 0.00 56.01 56.40 1xsj n LEU 323 Cb 0.25 0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 1xsj n LEU 323 CO 0.20 0.43 -0.52 0.35 -1.33 0.00 0.00 177.39 176.53 1xsj n THR 324 N -2.98 0.30 -3.34 -5.08 -2.24 -1.18 -4.69 114.28 95.07 1xsj n THR 324 Ca -0.22 -0.54 -0.26 0.00 -2.27 0.00 0.00 64.05 60.76 1xsj n THR 324 Cb 1.08 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 69.07 1xsj n THR 324 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1xsj n PHE 325 N -2.43 -0.33 0.35 4.78 3.72 -0.36 -3.25 117.46 119.92 1xsj n PHE 325 Ca -0.04 -3.49 0.14 0.00 -0.05 0.00 0.00 57.45 54.01 1xsj n PHE 325 Cb 0.60 -0.05 0.57 0.00 -0.94 0.00 0.00 39.48 39.66 1xsj n PHE 325 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xsj h PRO 326 N 4.92 0.00 -1.80 -1.08 0.11 -1.74 -3.37 132.00 129.05 1xsj h PRO 326 Ca 0.18 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.83 1xsj h PRO 326 Cb 0.88 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.67 1xsj h PRO 326 CO 0.44 0.00 -0.87 -3.47 -0.21 0.00 0.00 178.00 173.89 1xsj n ASP 327 N -2.48 -1.15 0.17 -2.05 2.03 -1.26 -5.03 116.55 106.77 1xsj n ASP 327 Ca 0.01 -2.64 -0.14 0.00 0.52 0.00 0.00 54.79 52.55 1xsj n ASP 327 Cb 0.23 0.10 -0.07 0.00 -0.72 0.00 0.00 41.12 40.66 1xsj n ASP 327 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xsj h PRO 328 N 4.99 -0.38 0.18 -0.67 0.11 -1.98 -2.40 132.00 131.83 1xsj h PRO 328 Ca 0.14 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1xsj h PRO 328 Cb 0.95 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xsj h PRO 328 CO 0.32 -0.26 -0.08 1.49 -0.21 0.00 0.00 178.00 179.26 1xsj h GLU 329 N -0.40 -0.23 -0.64 1.05 4.81 -1.96 -0.91 114.58 116.31 1xsj h GLU 329 Ca -0.02 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1xsj h GLU 329 Cb 0.33 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.64 1xsj h GLU 329 CO 0.03 -0.06 -0.22 0.78 -0.73 0.00 0.00 179.01 178.80 1xsj h GLY 330 N -0.35 0.28 0.85 1.92 0.00 -1.91 0.20 103.07 104.06 1xsj h GLY 330 Ca -0.02 0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.61 1xsj h GLY 330 CO 0.04 -0.24 -0.08 1.98 0.00 0.00 0.00 176.54 178.24 1xsj h MET 331 N -0.06 -0.16 -0.51 4.80 1.85 -1.27 0.10 114.93 119.68 1xsj h MET 331 Ca 0.29 0.01 0.10 0.00 -0.61 0.00 0.00 59.70 59.49 1xsj h MET 331 Cb 0.51 0.04 -0.08 0.00 0.43 0.00 0.00 31.60 32.50 1xsj h MET 331 CO -0.68 -0.11 0.03 0.82 -0.40 0.00 0.00 176.91 176.58 1xsj h ILE 332 N -0.16 0.63 -0.38 1.77 2.04 -0.39 -0.77 117.51 120.24 1xsj h ILE 332 Ca 0.02 -0.05 -0.16 0.00 1.00 0.00 0.00 64.86 65.67 1xsj h ILE 332 Cb 0.18 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1xsj h ILE 332 CO -0.05 0.03 -0.37 0.03 0.00 0.00 0.00 178.15 177.79 1xsj h ARG 333 N 0.15 0.91 -0.61 2.37 2.47 -0.22 -0.59 114.38 118.86 1xsj h ARG 333 Ca 0.26 -0.47 0.06 0.00 -1.26 0.00 0.00 59.98 58.57 1xsj h ARG 333 Cb 0.39 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.66 1xsj h ARG 333 CO -0.40 1.12 0.31 0.00 0.56 0.00 0.00 179.97 181.56 1xsj h ARG 334 N 0.75 0.55 -0.65 0.04 3.08 -0.48 -1.01 114.38 116.66 1xsj h ARG 334 Ca 0.06 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1xsj h ARG 334 Cb 0.96 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 1xsj h ARG 334 CO 0.09 0.37 0.17 -0.07 -1.07 0.00 0.00 179.97 179.46 1xsj h LEU 335 N 0.57 0.98 -0.91 3.04 3.38 -0.81 -2.87 115.31 118.69 1xsj h LEU 335 Ca 0.28 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1xsj h LEU 335 Cb 0.22 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1xsj h LEU 335 CO -0.20 0.95 0.59 0.50 0.09 0.00 0.00 178.44 180.37 1xsj h LYS 336 N 0.96 1.07 0.00 1.13 1.63 -0.78 -1.94 116.57 118.64 1xsj h LYS 336 Ca 0.21 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1xsj h LYS 336 Cb 0.35 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1xsj h LYS 336 CO 0.00 0.71 0.00 0.00 -3.45 0.00 0.00 179.45 176.71 1xsj h ALA 337 N 1.40 1.00 0.00 5.00 0.00 -0.96 0.29 119.26 125.98 1xsj h ALA 337 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1xsj h ALA 337 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xsj h ALA 337 CO -0.14 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.74 1xsj n LYS 338 N -2.98 0.80 -0.51 0.00 5.02 -0.73 -4.90 118.16 114.85 1xsj n LYS 338 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xsj n LYS 338 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 0.97 0.91 3.89 0.72 0.00 1.00 -5.08 105.19 107.60 1xsj n GLY 339 Ca 0.20 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1xsj n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsj s LEU 340 N 0.00 4.28 0.25 0.99 1.43 -1.17 -4.88 118.68 119.58 1xsj s LEU 340 Ca 0.00 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 1xsj s LEU 340 Cb 0.00 -2.80 -0.08 0.00 0.03 0.00 0.00 46.19 43.34 1xsj s LEU 340 CO 0.00 0.19 0.59 -0.54 0.23 0.00 0.00 176.35 176.83 1xsj s LYS 341 N -2.34 3.85 -0.12 1.70 -0.14 -0.23 -4.35 119.74 118.10 1xsj s LYS 341 Ca 0.32 0.37 0.02 0.00 -1.36 0.00 0.00 55.97 55.32 1xsj s LYS 341 Cb -0.13 -2.59 -0.00 0.00 -1.68 0.00 0.00 37.83 33.42 1xsj s LYS 341 CO 0.25 0.28 -0.19 0.42 -0.76 0.00 0.00 175.35 175.34 1xsj s ILE 342 N -1.86 2.45 0.01 2.17 1.09 -1.26 -0.56 121.20 123.24 1xsj s ILE 342 Ca 0.49 -0.87 0.04 0.00 -1.10 0.00 0.00 60.65 59.21 1xsj s ILE 342 Cb -0.11 -1.99 -0.03 0.00 -1.06 0.00 0.00 42.46 39.27 1xsj s ILE 342 CO 0.20 0.54 -0.09 0.00 -0.10 0.00 0.00 174.94 175.49 1xsj s VAL 344 N -0.99 1.68 0.24 0.00 -7.23 -1.13 -1.78 120.40 111.19 1xsj s VAL 344 Ca 0.17 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1xsj s VAL 344 Cb -0.11 -1.55 -0.09 0.00 0.56 0.00 0.00 36.38 35.19 1xsj s VAL 344 CO 0.07 -0.09 1.16 0.86 -0.31 0.00 0.00 175.10 176.79 1xsj s TRP 345 N -1.25 3.46 0.24 2.82 -0.00 -0.45 -1.52 118.94 122.23 1xsj s TRP 345 Ca 0.07 1.55 -0.01 0.00 -0.00 0.00 0.00 56.10 57.70 1xsj s TRP 345 Cb -0.10 -3.39 -0.03 0.00 -0.00 0.00 0.00 33.47 29.96 1xsj s TRP 345 CO 0.04 -0.97 0.22 0.96 -0.00 0.00 0.00 176.95 177.21 1xsj s ILE 346 N -0.63 0.00 0.30 5.86 -4.36 -0.67 -4.90 121.20 116.80 1xsj s ILE 346 Ca 0.49 -1.90 -0.20 0.00 -0.26 0.00 0.00 60.65 58.77 1xsj s ILE 346 Cb -0.33 -2.47 0.03 0.00 1.25 0.00 0.00 42.46 40.94 1xsj s ILE 346 CO 0.40 0.00 0.76 0.54 0.24 0.00 0.00 174.94 176.88 1xsj s ASN 347 N -3.18 -0.18 -0.27 4.36 4.22 -1.26 -2.11 114.94 116.52 1xsj s ASN 347 Ca 0.37 -0.73 0.07 0.00 -2.14 0.00 0.00 52.86 50.42 1xsj s ASN 347 Cb 0.05 0.74 0.57 0.00 1.28 0.00 0.00 41.25 43.89 1xsj s ASN 347 CO 0.15 -1.40 1.59 -0.81 -2.04 0.00 0.00 177.10 174.59 1xsj n PRO 348 N -0.48 2.97 -4.46 3.55 -0.04 -1.26 -4.76 135.00 130.51 1xsj n PRO 348 Ca -0.05 -2.37 -0.23 0.00 -0.04 0.00 0.00 63.50 60.81 1xsj n PRO 348 Cb 0.59 -2.00 -0.10 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.45 2.11 -0.07 0.54 2.02 -1.26 -1.93 117.35 116.30 1xsj s TYR 349 Ca 0.43 -0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 56.55 1xsj s TYR 349 Cb 0.35 -1.11 0.04 0.00 -0.40 0.00 0.00 41.96 40.83 1xsj s TYR 349 CO 0.10 0.47 0.17 -1.50 -1.57 0.00 0.00 175.55 173.22 1xsj s ILE 350 N -2.79 -0.05 0.41 2.71 2.07 0.06 -3.58 121.20 120.04 1xsj s ILE 350 Ca 0.29 0.17 -0.23 0.00 -1.41 0.00 0.00 60.65 59.47 1xsj s ILE 350 Cb 0.01 -0.27 -0.09 0.00 0.13 0.00 0.00 42.46 42.24 1xsj s ILE 350 CO 0.13 0.07 1.03 -0.83 -1.91 0.00 0.00 174.94 173.43 1xsj s GLY 351 N 1.17 2.68 0.40 1.50 0.00 -0.97 -0.75 107.32 111.35 1xsj s GLY 351 Ca -0.09 0.65 0.16 0.00 0.00 0.00 0.00 44.72 45.44 1xsj s GLY 351 CO -0.06 1.05 1.87 -1.61 0.00 0.00 0.00 173.10 174.35 1xsj h GLN 352 N 2.35 0.00 -0.46 2.90 4.15 -1.32 -2.77 115.11 119.96 1xsj h GLN 352 Ca -0.48 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.01 1xsj h GLN 352 Cb 1.21 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.88 1xsj h GLN 352 CO 0.62 0.31 0.31 -0.22 -1.93 0.00 0.00 178.83 177.93 1xsj h LYS 353 N 0.00 0.32 -6.48 1.69 3.64 -1.78 -3.44 116.57 110.53 1xsj h LYS 353 Ca -0.00 -0.02 -0.61 0.00 -1.27 0.00 0.00 60.65 58.75 1xsj h LYS 353 Cb 0.60 -0.07 0.08 0.00 -0.41 0.00 0.00 32.23 32.42 1xsj h LYS 353 CO 0.04 0.21 0.53 0.45 -2.27 0.00 0.00 179.45 178.42 1xsj n SER 354 N -4.47 2.33 0.21 4.20 2.88 -1.05 -4.81 113.62 112.91 1xsj n SER 354 Ca 0.06 1.13 0.18 0.00 -1.33 0.00 0.00 58.87 58.92 1xsj n SER 354 Cb 0.29 -1.35 0.79 0.00 -0.75 0.00 0.00 64.21 63.19 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 4.23 0.00 0.00 -1.46 0.11 -1.91 -1.12 132.00 131.84 1xsj h PRO 355 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xsj h PRO 355 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1xsj h PRO 355 CO 0.76 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.83 1xsj h VAL 356 N 0.00 0.00 -0.50 3.15 2.07 -1.92 -3.35 116.25 115.69 1xsj h VAL 356 Ca 0.10 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1xsj h VAL 356 Cb 0.82 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1xsj h VAL 356 CO -0.00 0.00 0.25 0.15 0.02 0.00 0.00 177.57 177.99 1xsj h PHE 357 N 0.00 0.72 -0.10 1.57 3.04 -1.48 -1.62 116.94 119.07 1xsj h PHE 357 Ca 0.00 -0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.82 1xsj h PHE 357 Cb 0.96 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1xsj h PHE 357 CO 0.00 0.56 -0.39 -0.22 -2.02 0.00 0.00 178.31 176.23 1xsj h LYS 358 N 0.67 0.22 -0.35 1.11 3.64 -1.76 -1.17 116.57 118.92 1xsj h LYS 358 Ca 0.17 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1xsj h LYS 358 Cb 0.10 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1xsj h LYS 358 CO -0.02 0.58 0.22 1.49 -2.27 0.00 0.00 179.45 179.45 1xsj h GLU 359 N 0.19 0.48 -0.52 1.90 4.81 -1.64 -0.83 114.58 118.96 1xsj h GLU 359 Ca 0.02 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1xsj h GLU 359 Cb 0.78 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1xsj h GLU 359 CO 0.06 0.34 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.48 1xsj h LEU 360 N 0.47 1.01 -0.35 1.64 3.38 -0.85 -2.06 115.31 118.55 1xsj h LEU 360 Ca 0.13 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1xsj h LEU 360 Cb -0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1xsj h LEU 360 CO -0.03 1.14 0.15 -0.61 0.09 0.00 0.00 178.44 179.19 1xsj h GLN 361 N 0.87 0.51 -0.82 1.13 4.15 -1.15 -0.55 115.11 119.25 1xsj h GLN 361 Ca 0.13 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1xsj h GLN 361 Cb 0.70 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.27 1xsj h GLN 361 CO 0.05 0.48 0.51 0.93 -1.93 0.00 0.00 178.83 178.88 1xsj h GLU 362 N 0.42 1.09 -0.00 1.69 5.08 -1.03 -2.45 114.58 119.38 1xsj h GLU 362 Ca 0.12 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xsj h GLU 362 Cb 0.15 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1xsj h GLU 362 CO -0.01 0.75 -0.20 1.63 -1.00 0.00 0.00 179.01 180.18 1xsj n LYS 363 N -4.39 0.25 -2.06 2.33 5.02 -0.78 -4.93 118.16 113.60 1xsj n LYS 363 Ca 0.09 -0.09 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1xsj n LYS 363 Cb 0.05 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1xsj n LYS 363 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsj n GLY 364 N 1.42 0.24 0.17 0.72 0.00 -0.57 -4.95 105.19 102.23 1xsj n GLY 364 Ca 0.09 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.00 0.00 -4.05 1.61 4.01 -0.32 -4.91 117.16 109.49 1xsj n TYR 365 Ca -0.04 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.39 1xsj n TYR 365 Cb 0.53 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 39.33 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 -2.60 3.89 0.18 7.72 1.43 -1.26 -1.17 118.68 126.87 1xsj s LEU 366 Ca 0.22 0.07 -0.33 0.00 -1.03 0.00 0.00 54.13 53.06 1xsj s LEU 366 Cb 0.19 -2.46 -0.14 0.00 0.03 0.00 0.00 46.19 43.81 1xsj s LEU 366 CO 0.54 0.20 1.56 -0.11 0.23 0.00 0.00 176.35 178.78 1xsj n LEU 367 N 0.67 3.20 -4.59 1.79 7.94 0.13 -4.73 117.00 121.41 1xsj n LEU 367 Ca -0.10 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.60 1xsj n LEU 367 Cb 0.52 -1.44 -0.09 0.00 0.53 0.00 0.00 43.42 42.93 1xsj n LEU 367 CO 0.43 -0.27 -0.40 -0.54 -1.11 0.00 0.00 177.39 175.49 1xsj s LYS 368 N 0.68 2.18 0.71 1.96 1.02 -1.26 -2.00 119.74 123.03 1xsj s LYS 368 Ca 0.76 -1.04 -0.11 0.00 0.02 0.00 0.00 55.97 55.61 1xsj s LYS 368 Cb -0.66 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1xsj s LYS 368 CO 0.40 0.50 1.07 1.03 -0.92 0.00 0.00 175.35 177.43 1xsj s ARG 369 N -2.34 2.84 0.41 1.68 0.52 -0.08 -0.51 118.95 121.48 1xsj s ARG 369 Ca 0.23 0.72 0.14 0.00 -0.52 0.00 0.00 55.73 56.29 1xsj s ARG 369 Cb -0.11 -2.00 0.99 0.00 0.52 0.00 0.00 34.95 34.35 1xsj s ARG 369 CO 0.15 -1.10 1.92 -1.35 0.02 0.00 0.00 175.30 174.94 1xsj h PRO 370 N -0.71 0.47 0.00 3.54 0.11 -1.85 -1.27 132.00 132.29 1xsj h PRO 370 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xsj h PRO 370 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xsj h PRO 370 CO 0.60 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 1xsj n ASP 371 N -4.49 0.00 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.62 1xsj n ASP 371 Ca 0.14 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1xsj n ASP 371 Cb 0.48 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.63 2.14 3.75 6.12 0.00 -0.48 -5.08 105.19 112.27 1xsj n GLY 372 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.48 3.58 0.22 1.61 1.04 -1.26 -4.77 113.70 112.64 1xsj s SER 373 Ca 0.00 1.26 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 1xsj s SER 373 Cb 0.00 -1.93 -0.09 0.00 0.10 0.00 0.00 66.02 64.11 1xsj s SER 373 CO 0.00 -2.54 1.17 -0.76 0.98 0.00 0.00 173.24 172.09 1xsj s LEU 374 N -6.11 4.48 -0.02 2.42 1.43 -1.26 -0.90 118.68 118.72 1xsj s LEU 374 Ca 0.63 2.26 -0.30 0.00 -1.03 0.00 0.00 54.13 55.70 1xsj s LEU 374 Cb -0.16 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 1xsj s LEU 374 CO 0.56 -0.32 1.50 0.86 0.23 0.00 0.00 176.35 179.18 1xsj s TRP 375 N -0.41 2.52 0.02 0.29 -0.00 -0.85 -4.69 118.94 115.83 1xsj s TRP 375 Ca 0.50 0.57 -0.01 0.00 -0.00 0.00 0.00 56.10 57.16 1xsj s TRP 375 Cb -0.33 -3.77 -0.02 0.00 -0.00 0.00 0.00 33.47 29.35 1xsj s TRP 375 CO 0.39 -3.03 0.00 -0.65 -0.00 0.00 0.00 176.95 173.66 1xsj s GLN 376 N 3.02 0.36 0.31 5.86 -0.21 -1.26 -4.46 119.66 123.28 1xsj s GLN 376 Ca 0.67 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 55.45 1xsj s GLN 376 Cb -0.32 0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.82 1xsj s GLN 376 CO 0.27 -0.07 0.40 -2.67 -2.12 0.00 0.00 175.29 171.11 1xsj n TRP 377 N 1.49 -1.22 -0.11 0.91 2.14 -1.07 -4.96 117.44 114.63 1xsj n TRP 377 Ca -0.23 -2.22 0.07 0.00 2.07 0.00 0.00 57.50 57.20 1xsj n TRP 377 Cb 0.55 0.45 0.18 0.00 -0.81 0.00 0.00 31.31 31.69 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 -1.71 3.09 -4.77 -0.67 8.00 -1.26 -1.02 116.55 118.22 1xsj n ASP 378 Ca 0.02 -1.94 -0.38 0.00 0.71 0.00 0.00 54.79 53.19 1xsj n ASP 378 Cb 0.53 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.33 1xsj n ASP 378 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xsj s LYS 379 N -1.04 4.34 0.00 -1.24 1.02 -1.26 -4.33 119.74 117.23 1xsj s LYS 379 Ca 0.29 1.72 0.00 0.00 0.02 0.00 0.00 55.97 58.00 1xsj s LYS 379 Cb 0.16 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1xsj s LYS 379 CO 0.21 -0.04 0.00 1.87 -0.92 0.00 0.00 175.35 176.47 1xsj n TRP 380 N 0.49 0.00 -4.35 3.18 -0.00 -1.26 -4.71 117.44 110.79 1xsj n TRP 380 Ca 0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.26 1xsj n TRP 380 Cb 0.47 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.65 1xsj n TRP 380 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xsj s GLN 381 N 0.00 1.29 0.19 5.87 -1.52 -1.26 -5.01 119.66 119.22 1xsj s GLN 381 Ca 0.00 -1.30 -0.31 0.00 -1.95 0.00 0.00 55.36 51.80 1xsj s GLN 381 Cb 0.00 -1.64 -0.10 0.00 -0.22 0.00 0.00 33.01 31.05 1xsj s GLN 381 CO 0.00 0.38 1.52 -2.14 -0.25 0.00 0.00 175.29 174.80 1xsj s PRO 382 N -2.13 4.24 -1.47 2.91 0.02 -1.26 -2.89 135.00 134.41 1xsj s PRO 382 Ca 0.12 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1xsj s PRO 382 Cb -0.09 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1xsj s PRO 382 CO 0.06 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1xsj n GLY 383 N 3.26 0.24 3.66 0.52 0.00 -1.14 -1.56 105.19 110.18 1xsj n GLY 383 Ca 0.12 -0.22 -0.47 0.00 0.00 0.00 0.00 46.02 45.44 1xsj n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsj n LEU 384 N -2.17 3.00 -4.65 0.99 0.00 -0.19 -3.49 117.00 110.50 1xsj n LEU 384 Ca -0.18 1.06 -0.26 0.00 0.00 0.00 0.00 56.01 56.63 1xsj n LEU 384 Cb 0.61 -1.38 -0.09 0.00 0.00 0.00 0.00 43.42 42.56 1xsj n LEU 384 CO 0.23 -0.32 -0.26 0.00 0.00 0.00 0.00 177.39 177.04 1xsj s ALA 385 N 1.61 3.30 -0.09 1.96 0.00 0.07 -2.60 121.76 126.00 1xsj s ALA 385 Ca 0.83 -2.16 0.03 0.00 0.00 0.00 0.00 51.96 50.65 1xsj s ALA 385 Cb -0.72 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1xsj s ALA 385 CO 0.42 -0.09 -0.18 0.42 0.00 0.00 0.00 175.76 176.34 1xsj s ILE 386 N -2.63 2.68 -0.00 0.00 1.01 -1.26 -0.76 121.20 120.24 1xsj s ILE 386 Ca 0.37 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1xsj s ILE 386 Cb 0.06 -2.07 -0.06 0.00 0.01 0.00 0.00 42.46 40.40 1xsj s ILE 386 CO 0.20 0.55 1.54 -0.31 0.00 0.00 0.00 174.94 176.92 1xsj s TYR 387 N 0.01 2.47 -0.87 3.97 1.51 -0.81 0.22 117.35 123.85 1xsj s TYR 387 Ca -0.06 0.50 -0.22 0.00 -1.01 0.00 0.00 57.07 56.28 1xsj s TYR 387 Cb -0.15 -3.82 0.08 0.00 -0.11 0.00 0.00 41.96 37.97 1xsj s TYR 387 CO 0.05 -3.24 1.20 0.34 -1.11 0.00 0.00 175.55 172.79 1xsj s ASP 388 N 2.45 6.43 0.00 2.29 -1.08 -0.32 -4.75 116.67 121.69 1xsj s ASP 388 Ca 0.69 -1.43 0.02 0.00 -0.52 0.00 0.00 52.55 51.31 1xsj s ASP 388 Cb -0.34 -2.47 0.12 0.00 -1.46 0.00 0.00 42.92 38.77 1xsj s ASP 388 CO 0.29 -1.38 0.87 0.49 0.52 0.00 0.00 175.17 175.96 1xsj n PHE 389 N 7.85 0.00 1.18 -5.34 0.99 -1.26 -1.34 117.46 119.53 1xsj n PHE 389 Ca 0.18 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.75 1xsj n PHE 389 Cb 0.49 0.00 0.24 0.00 -1.00 0.00 0.00 39.48 39.21 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 -0.54 0.00 -3.22 4.37 -2.24 -1.26 -4.79 114.28 106.60 1xsj n THR 390 Ca 0.02 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1xsj n THR 390 Cb 0.01 0.98 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.20 6.32 0.23 3.42 3.84 -0.45 -4.28 114.94 121.81 1xsj s ASN 391 Ca 0.28 -0.09 -0.07 0.00 0.21 0.00 0.00 52.86 53.19 1xsj s ASN 391 Cb 0.20 -2.28 0.35 0.00 -0.55 0.00 0.00 41.25 38.97 1xsj s ASN 391 CO 0.41 -0.53 1.76 -0.65 -2.79 0.00 0.00 177.10 175.30 1xsj h PRO 392 N 8.53 0.51 -0.15 0.43 0.11 -1.86 -1.60 132.00 137.96 1xsj h PRO 392 Ca -0.27 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.70 1xsj h PRO 392 Cb 1.12 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1xsj h PRO 392 CO 0.79 0.34 -0.35 -0.44 -0.21 0.00 0.00 178.00 178.13 1xsj h ASP 393 N 0.53 0.33 -0.59 -2.05 3.32 -1.94 -1.64 116.42 114.37 1xsj h ASP 393 Ca 0.35 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1xsj h ASP 393 Cb 0.42 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1xsj h ASP 393 CO -0.30 0.66 0.13 0.00 -1.72 0.00 0.00 179.24 178.01 1xsj h ALA 394 N 1.36 0.78 -0.53 3.45 0.00 -1.72 -1.02 119.26 121.59 1xsj h ALA 394 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xsj h ALA 394 Cb 0.75 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xsj h ALA 394 CO 0.06 0.51 0.33 0.00 0.00 0.00 0.00 179.25 180.14 1xsj h LYS 396 N 0.72 0.60 -0.50 0.00 3.64 -1.18 0.23 116.57 120.09 1xsj h LYS 396 Ca 0.19 -0.12 0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1xsj h LYS 396 Cb -0.03 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 1xsj h LYS 396 CO -0.04 0.60 0.15 2.35 -2.27 0.00 0.00 179.45 180.24 1xsj h TRP 397 N 0.49 0.27 -0.26 1.91 7.01 -0.82 0.07 115.95 124.61 1xsj h TRP 397 Ca 0.13 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.06 1xsj h TRP 397 Cb 0.24 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.25 1xsj h TRP 397 CO 0.01 0.07 -0.22 -0.92 -2.79 0.00 0.00 178.44 174.58 1xsj h TYR 398 N 0.32 0.72 -1.00 2.65 3.20 -0.80 -2.81 116.97 119.25 1xsj h TYR 398 Ca 0.24 -0.21 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1xsj h TYR 398 Cb 0.28 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 1xsj h TYR 398 CO -0.18 0.91 0.65 0.00 -1.64 0.00 0.00 178.16 177.90 1xsj h ALA 399 N 0.70 1.36 -0.57 1.82 0.00 -0.33 -2.49 119.26 119.75 1xsj h ALA 399 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1xsj h ALA 399 Cb 0.77 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1xsj h ALA 399 CO 0.06 0.48 -0.04 -0.44 0.00 0.00 0.00 179.25 179.31 1xsj h ASP 400 N 1.20 1.02 -0.33 0.00 3.32 -0.91 0.06 116.42 120.79 1xsj h ASP 400 Ca 0.42 -0.32 0.06 0.00 0.02 0.00 0.00 57.03 57.21 1xsj h ASP 400 Cb 0.11 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 1xsj h ASP 400 CO -0.16 1.09 -0.01 0.11 -1.72 0.00 0.00 179.24 178.55 1xsj h LYS 401 N 0.91 0.07 -0.52 3.56 1.79 -1.21 -0.49 116.57 120.68 1xsj h LYS 401 Ca 0.16 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1xsj h LYS 401 Cb 0.60 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1xsj h LYS 401 CO 0.04 0.05 0.21 -0.07 -1.08 0.00 0.00 179.45 178.59 1xsj h LEU 402 N 0.08 0.73 -1.11 2.94 3.38 -1.01 -2.12 115.31 118.20 1xsj h LEU 402 Ca 0.16 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1xsj h LEU 402 Cb 0.22 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1xsj h LEU 402 CO -0.28 0.70 0.61 0.11 0.09 0.00 0.00 178.44 179.67 1xsj h LYS 403 N 0.71 1.07 -0.86 1.13 1.57 -0.68 -1.22 116.57 118.28 1xsj h LYS 403 Ca 0.17 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.02 1xsj h LYS 403 Cb 0.20 -0.24 -0.09 0.00 0.08 0.00 0.00 32.23 32.18 1xsj h LYS 403 CO -0.01 0.71 0.47 0.78 -0.57 0.00 0.00 179.45 180.83 1xsj h GLY 404 N 1.11 1.40 1.06 3.86 0.00 -0.43 -1.23 103.07 108.84 1xsj h GLY 404 Ca 0.39 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.27 1xsj h GLY 404 CO -0.14 0.02 -0.47 1.41 0.00 0.00 0.00 176.54 177.36 1xsj h LEU 405 N 0.70 0.87 -1.37 3.11 3.38 -0.96 -3.08 115.31 117.96 1xsj h LEU 405 Ca 0.46 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xsj h LEU 405 Cb 0.59 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1xsj h LEU 405 CO -0.33 1.24 0.41 0.58 0.09 0.00 0.00 178.44 180.42 1xsj h VAL 406 N 0.53 1.16 0.00 1.22 2.07 -0.94 -1.63 116.25 118.67 1xsj h VAL 406 Ca 0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1xsj h VAL 406 Cb 1.08 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1xsj h VAL 406 CO 0.11 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1xsj h ALA 407 N 1.60 1.00 0.00 1.67 0.00 -1.17 -1.37 119.26 120.99 1xsj h ALA 407 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xsj h ALA 407 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xsj h ALA 407 CO -0.05 0.00 -0.41 -1.33 0.00 0.00 0.00 179.25 177.46 1xsj n MET 408 N -2.37 0.18 0.00 0.00 2.00 -0.66 -4.95 117.12 111.31 1xsj n MET 408 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1xsj n MET 408 Cb 0.27 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 31.85 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 1.39 0.90 3.72 3.03 0.00 -0.51 -4.63 105.19 109.10 1xsj n GLY 409 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1xsj n GLY 409 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsj s VAL 410 N -2.00 2.44 -0.11 1.61 1.01 -0.89 -4.65 120.40 117.81 1xsj s VAL 410 Ca 0.00 0.32 0.10 0.00 0.00 0.00 0.00 61.98 62.41 1xsj s VAL 410 Cb 0.00 -3.21 -0.24 0.00 0.00 0.00 0.00 36.38 32.94 1xsj s VAL 410 CO 0.00 0.03 0.41 0.47 0.00 0.00 0.00 175.10 176.01 1xsj n ASP 411 N 3.62 0.91 -3.94 3.32 8.00 0.01 -4.31 116.55 124.17 1xsj n ASP 411 Ca 0.13 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.79 1xsj n ASP 411 Cb 0.38 0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 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 -3.95 1.27 -0.52 0.00 0.40 -1.25 -2.83 117.98 111.09 1xsj s PHE 413 Ca 0.20 -0.27 -0.23 0.00 -0.60 0.00 0.00 56.93 56.03 1xsj s PHE 413 Cb -0.02 -0.80 0.04 0.00 0.51 0.00 0.00 43.02 42.75 1xsj s PHE 413 CO 0.09 -0.01 0.87 0.21 0.70 0.00 0.00 175.22 177.08 1xsj s LYS 414 N -0.52 3.32 -1.04 0.44 2.20 -0.58 -2.15 119.74 121.41 1xsj s LYS 414 Ca 0.05 -0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 55.18 1xsj s LYS 414 Cb -0.06 -4.03 0.15 0.00 -1.51 0.00 0.00 37.83 32.37 1xsj s LYS 414 CO -0.00 -1.37 1.25 0.95 -0.36 0.00 0.00 175.35 175.82 1xsj s THR 415 N 3.63 4.85 0.55 3.43 -4.23 0.08 -1.67 115.64 122.28 1xsj s THR 415 Ca 0.28 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 58.72 1xsj s THR 415 Cb -0.13 -4.83 -0.02 0.00 1.34 0.00 0.00 72.50 68.86 1xsj s THR 415 CO 0.19 -1.55 0.87 -0.62 -0.54 0.00 0.00 174.62 172.97 1xsj s ASP 416 N 3.31 5.96 0.81 3.99 -1.08 -0.90 -2.26 116.67 126.51 1xsj s ASP 416 Ca 0.37 0.90 0.00 0.00 -0.52 0.00 0.00 52.55 53.30 1xsj s ASP 416 Cb -0.04 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 1xsj s ASP 416 CO -0.06 -0.83 0.00 0.49 0.52 0.00 0.00 175.17 175.29 1xsj n PHE 417 N -2.47 -0.19 -0.17 -5.34 3.01 -1.26 -4.35 117.46 106.68 1xsj n PHE 417 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1xsj n PHE 417 Cb 0.56 0.10 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 0.60 0.10 1.37 0.00 -1.26 -3.88 105.19 102.12 1xsj n GLY 418 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1xsj n GLY 418 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xsj h GLU 419 N 4.44 0.06 -3.68 1.61 3.07 -1.90 -3.38 114.58 114.80 1xsj h GLU 419 Ca 0.00 -0.11 -0.74 0.00 -0.50 0.00 0.00 59.36 58.01 1xsj h GLU 419 Cb 0.00 0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 27.85 1xsj h GLU 419 CO 0.00 1.05 2.50 0.54 -1.40 0.00 0.00 179.01 181.70 1xsj n ARG 420 N -4.35 3.32 -3.46 2.33 1.74 -1.26 -4.59 116.66 110.39 1xsj n ARG 420 Ca -0.24 -3.14 -0.39 0.00 -0.77 0.00 0.00 57.85 53.32 1xsj n ARG 420 Cb 0.68 -3.07 -0.10 0.00 -1.02 0.00 0.00 32.46 28.96 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 1.51 5.22 0.65 0.55 -1.09 -1.26 -5.05 121.20 121.73 1xsj s ILE 421 Ca 0.43 0.38 -0.13 0.00 -2.23 0.00 0.00 60.65 59.10 1xsj s ILE 421 Cb 0.12 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1xsj s ILE 421 CO -0.04 0.17 1.06 -2.16 -1.23 0.00 0.00 174.94 172.74 1xsj s PRO 422 N 1.96 3.10 0.00 2.79 0.04 -1.26 -4.79 135.00 136.83 1xsj s PRO 422 Ca 0.12 1.09 0.10 0.00 0.04 0.00 0.00 61.00 62.35 1xsj s PRO 422 Cb -0.16 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1xsj s PRO 422 CO 0.10 -0.98 0.58 0.25 0.04 0.00 0.00 177.00 176.99 1xsj n THR 423 N -2.59 0.00 -2.30 1.26 -2.24 -1.26 -4.68 114.28 102.48 1xsj n THR 423 Ca 0.08 -0.37 -0.40 0.00 -2.27 0.00 0.00 64.05 61.09 1xsj n THR 423 Cb 0.53 1.09 0.01 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.47 7.59 -4.09 3.42 3.85 -1.26 -4.83 116.55 120.76 1xsj n ASP 424 Ca 0.04 -3.47 -0.11 0.00 -0.71 0.00 0.00 54.79 50.53 1xsj n ASP 424 Cb 0.19 -1.24 -0.08 0.00 -1.35 0.00 0.00 41.12 38.65 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 -3.12 0.00 -0.19 2.12 -7.23 -1.26 -4.56 120.40 106.17 1xsj s VAL 425 Ca 0.46 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1xsj s VAL 425 Cb 0.21 -2.39 0.04 0.00 0.56 0.00 0.00 36.38 34.81 1xsj s VAL 425 CO -0.14 0.00 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.00 1xsj s GLN 426 N -4.07 1.63 0.40 4.82 0.74 0.33 -4.73 119.66 118.77 1xsj s GLN 426 Ca 0.33 -0.68 -0.25 0.00 0.05 0.00 0.00 55.36 54.80 1xsj s GLN 426 Cb 0.04 -2.22 -0.08 0.00 1.10 0.00 0.00 33.01 31.84 1xsj s GLN 426 CO 0.11 -0.46 1.15 -1.58 -0.55 0.00 0.00 175.29 173.97 1xsj s TRP 427 N 1.53 3.10 0.28 1.67 0.52 -1.26 -4.14 118.94 120.64 1xsj s TRP 427 Ca -0.01 1.57 -0.01 0.00 0.02 0.00 0.00 56.10 57.67 1xsj s TRP 427 Cb -0.16 -3.36 0.64 0.00 -1.15 0.00 0.00 33.47 29.44 1xsj s TRP 427 CO -0.08 -1.23 1.62 0.35 0.02 0.00 0.00 176.95 177.63 1xsj h PHE 428 N 2.64 0.09 -0.40 -1.98 3.57 -1.93 0.58 116.94 119.51 1xsj h PHE 428 Ca -0.49 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1xsj h PHE 428 Cb 1.23 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1xsj h PHE 428 CO 0.55 -0.30 0.00 -0.40 -2.23 0.00 0.00 178.31 175.93 1xsj n ASP 429 N -5.36 2.40 -0.75 0.41 5.75 -1.26 -4.91 116.55 112.82 1xsj n ASP 429 Ca 0.20 -2.07 -0.10 0.00 -0.01 0.00 0.00 54.79 52.81 1xsj n ASP 429 Cb 0.65 -0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.38 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 1.04 1.09 3.59 6.12 0.00 0.20 -4.99 105.19 112.24 1xsj n GLY 430 Ca 0.14 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.21 -0.02 -4.63 1.61 7.64 -1.26 -4.92 113.62 111.83 1xsj n SER 431 Ca -0.10 0.55 -0.43 0.00 1.01 0.00 0.00 58.87 59.91 1xsj n SER 431 Cb 0.40 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.18 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 -1.93 6.22 0.52 6.43 -1.08 -0.05 -4.63 116.67 122.15 1xsj s ASP 432 Ca 0.69 1.81 0.19 0.00 -0.52 0.00 0.00 52.55 54.71 1xsj s ASP 432 Cb -0.29 -2.53 1.31 0.00 -1.46 0.00 0.00 42.92 39.95 1xsj s ASP 432 CO 0.55 -1.36 2.11 -0.65 0.52 0.00 0.00 175.17 176.34 1xsj h PRO 433 N 11.49 0.00 -0.08 4.34 0.11 -1.88 -1.03 132.00 144.95 1xsj h PRO 433 Ca -0.37 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 1xsj h PRO 433 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1xsj h PRO 433 CO 0.99 0.00 -0.26 1.96 -0.21 0.00 0.00 178.00 180.48 1xsj h GLN 434 N 0.00 0.15 0.11 1.05 1.08 -1.90 -2.67 115.11 112.93 1xsj h GLN 434 Ca 0.07 -0.05 -0.28 0.00 -1.45 0.00 0.00 58.65 56.94 1xsj h GLN 434 Cb 0.27 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1xsj h GLN 434 CO -0.00 0.40 -1.37 0.87 -0.95 0.00 0.00 178.83 177.79 1xsj h LYS 435 N 0.13 0.23 0.00 1.46 1.57 -1.51 -3.33 116.57 115.13 1xsj h LYS 435 Ca 0.02 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1xsj h LYS 435 Cb 0.53 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1xsj h LYS 435 CO 0.04 1.13 -0.15 0.52 -0.57 0.00 0.00 179.45 180.42 1xsj h MET 436 N 0.06 0.00 0.43 3.15 2.86 -1.24 -2.53 114.93 117.67 1xsj h MET 436 Ca -0.18 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1xsj h MET 436 Cb 1.98 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.62 1xsj h MET 436 CO 0.18 0.15 -0.47 1.25 1.06 0.00 0.00 176.91 179.08 1xsj h HIS 437 N 0.00 -1.31 -0.31 -0.22 -0.00 -1.58 0.14 115.15 111.87 1xsj h HIS 437 Ca -0.00 0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 60.21 1xsj h HIS 437 Cb 0.44 0.51 -0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1xsj h HIS 437 CO 0.00 -0.61 -0.48 -0.91 -0.00 0.00 0.00 177.93 175.93 1xsj h ASN 438 N -0.91 0.92 1.35 3.26 2.35 -1.77 -3.33 115.58 117.46 1xsj h ASN 438 Ca -0.05 -0.46 -0.03 0.00 -0.55 0.00 0.00 56.30 55.20 1xsj h ASN 438 Cb 0.80 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1xsj h ASN 438 CO -0.08 1.25 -0.14 -0.74 -1.65 0.00 0.00 177.43 176.07 1xsj h HIS 439 N 0.67 0.00 -0.80 1.19 2.76 -1.30 -2.77 115.15 114.90 1xsj h HIS 439 Ca 0.03 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.37 1xsj h HIS 439 Cb 1.07 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.92 1xsj h HIS 439 CO 0.06 0.14 0.31 -0.92 -1.30 0.00 0.00 177.93 176.22 1xsj h TYR 440 N 0.00 0.51 -0.96 5.26 3.20 -1.08 -0.18 116.97 123.72 1xsj h TYR 440 Ca -0.00 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.03 1xsj h TYR 440 Cb 0.85 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.94 1xsj h TYR 440 CO 0.00 0.00 0.61 0.00 -1.64 0.00 0.00 178.16 177.13 1xsj h ALA 441 N 1.61 1.62 0.37 1.82 0.00 -1.67 0.78 119.26 123.79 1xsj h ALA 441 Ca 0.46 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1xsj h ALA 441 Cb 0.78 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1xsj h ALA 441 CO -0.47 0.14 -0.18 -0.92 0.00 0.00 0.00 179.25 177.82 1xsj h TYR 442 N 0.90 -0.46 -0.45 0.00 3.20 -1.22 -1.85 116.97 117.08 1xsj h TYR 442 Ca 0.48 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.37 1xsj h TYR 442 Cb 0.55 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 1xsj h TYR 442 CO -0.00 -0.19 0.25 0.82 -1.64 0.00 0.00 178.16 177.39 1xsj h ILE 443 N -0.67 1.01 0.26 1.81 1.08 -0.94 0.21 117.51 120.27 1xsj h ILE 443 Ca -0.05 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1xsj h ILE 443 Cb 0.48 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1xsj h ILE 443 CO 0.08 0.09 -0.17 0.22 -0.69 0.00 0.00 178.15 177.69 1xsj h TYR 444 N 0.49 -0.43 -0.13 1.37 -0.00 -0.89 -1.77 116.97 115.61 1xsj h TYR 444 Ca 0.19 -0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.82 1xsj h TYR 444 Cb 0.06 0.16 -0.01 0.00 -0.00 0.00 0.00 36.73 36.93 1xsj h TYR 444 CO -0.09 -0.26 -0.34 -0.91 -0.00 0.00 0.00 178.16 176.57 1xsj h ASN 445 N -0.42 0.25 -0.35 -2.11 2.35 -0.86 -2.63 115.58 111.82 1xsj h ASN 445 Ca -0.02 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1xsj h ASN 445 Cb 0.35 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1xsj h ASN 445 CO 0.02 0.58 0.18 -0.08 -1.65 0.00 0.00 177.43 176.48 1xsj h GLU 446 N 0.22 0.51 0.11 0.81 4.81 -0.50 -0.35 114.58 120.18 1xsj h GLU 446 Ca 0.03 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1xsj h GLU 446 Cb 0.71 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1xsj h GLU 446 CO 0.05 0.45 -0.14 1.25 -0.73 0.00 0.00 179.01 179.89 1xsj h LEU 447 N 0.44 -0.36 -0.37 1.64 6.46 -1.00 0.14 115.31 122.26 1xsj h LEU 447 Ca 0.12 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1xsj h LEU 447 Cb 0.10 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1xsj h LEU 447 CO -0.02 -0.20 0.23 0.58 -0.62 0.00 0.00 178.44 178.41 1xsj h VAL 448 N -0.28 1.11 -0.61 1.05 2.07 -1.36 -2.42 116.25 115.81 1xsj h VAL 448 Ca 0.01 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.40 1xsj h VAL 448 Cb 0.28 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.59 1xsj h VAL 448 CO -0.06 0.11 0.18 -0.25 0.02 0.00 0.00 177.57 177.57 1xsj h TRP 449 N 0.48 0.30 0.00 1.57 2.91 -0.79 -1.27 115.95 119.16 1xsj h TRP 449 Ca 0.13 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.14 1xsj h TRP 449 Cb -0.02 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 1xsj h TRP 449 CO -0.04 0.03 -0.21 -0.91 -1.03 0.00 0.00 178.44 176.27 1xsj h ASN 450 N 0.33 0.00 -0.09 2.65 2.35 -0.70 -0.18 115.58 119.94 1xsj h ASN 450 Ca 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1xsj h ASN 450 Cb 0.44 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1xsj h ASN 450 CO -0.36 0.21 0.01 0.58 -1.65 0.00 0.00 177.43 176.22 1xsj h VAL 451 N 0.00 1.24 -0.50 2.81 2.07 -0.76 -1.48 116.25 119.63 1xsj h VAL 451 Ca -0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1xsj h VAL 451 Cb 0.39 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1xsj h VAL 451 CO 0.03 0.21 0.32 -0.07 0.02 0.00 0.00 177.57 178.08 1xsj h LEU 452 N -0.11 0.58 -1.06 2.57 4.07 -1.12 -1.83 115.31 118.40 1xsj h LEU 452 Ca 0.03 -0.03 0.05 0.00 0.08 0.00 0.00 57.88 58.01 1xsj h LEU 452 Cb 0.32 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 1xsj h LEU 452 CO 0.00 0.43 0.63 0.50 -1.08 0.00 0.00 178.44 178.92 1xsj h LYS 453 N 0.67 1.15 -0.01 1.13 3.64 -0.90 -0.99 116.57 121.26 1xsj h LYS 453 Ca 0.18 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1xsj h LYS 453 Cb -0.06 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.50 1xsj h LYS 453 CO -0.04 0.76 -0.05 -0.25 -2.27 0.00 0.00 179.45 177.60 1xsj n ASP 454 N -4.46 0.61 0.00 4.20 8.00 -0.57 -2.95 116.55 121.38 1xsj n ASP 454 Ca 0.14 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1xsj n ASP 454 Cb 0.13 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 -0.66 0.00 0.90 -3.53 -2.24 -0.79 -4.83 114.28 103.13 1xsj n THR 455 Ca 0.19 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.07 1xsj n THR 455 Cb 0.25 -1.19 -0.08 0.00 -2.10 0.00 0.00 70.33 67.21 1xsj n THR 455 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1xsj n VAL 456 N -2.83 0.01 0.00 2.28 0.24 -0.43 -5.09 118.33 112.51 1xsj n VAL 456 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1xsj n VAL 456 Cb 0.38 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 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 1.47 0.58 0.37 7.63 0.00 -0.95 -4.46 105.19 109.83 1xsj n GLY 457 Ca 0.03 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 0.80 0.00 1.61 4.81 -1.80 -0.76 114.58 119.23 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 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1xsj h GLU 458 CO 0.00 0.53 0.00 0.93 -0.73 0.00 0.00 179.01 179.74 1xsj h GLU 459 N 0.82 0.00 -0.02 1.92 3.07 -1.92 -2.83 114.58 115.62 1xsj h GLU 459 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1xsj h GLU 459 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1xsj h GLU 459 CO -0.28 0.00 -0.30 0.39 -1.40 0.00 0.00 179.01 177.42 1xsj n GLU 460 N -2.47 1.58 -2.60 2.33 -0.58 -0.31 -3.74 120.64 114.84 1xsj n GLU 460 Ca 0.03 -1.24 -0.41 0.00 -0.42 0.00 0.00 57.16 55.12 1xsj n GLU 460 Cb 0.32 -1.43 -0.04 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 -2.18 3.30 -0.02 0.62 0.00 -1.07 -4.82 121.76 117.58 1xsj s ALA 461 Ca 0.20 0.70 -0.25 0.00 0.00 0.00 0.00 51.96 52.61 1xsj s ALA 461 Cb 0.17 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 20.00 1xsj s ALA 461 CO 0.45 -0.20 0.55 0.54 0.00 0.00 0.00 175.76 177.10 1xsj s VAL 462 N 0.30 0.02 0.40 0.00 0.11 -1.26 -4.48 120.40 115.49 1xsj s VAL 462 Ca 0.51 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 59.42 1xsj s VAL 462 Cb -0.26 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.65 1xsj s VAL 462 CO 0.31 -0.10 0.05 -0.76 -3.33 0.00 0.00 175.10 171.27 1xsj s LEU 463 N -1.36 2.37 -0.36 2.54 1.43 0.11 -3.92 118.68 119.49 1xsj s LEU 463 Ca -0.11 -1.48 0.01 0.00 -1.03 0.00 0.00 54.13 51.52 1xsj s LEU 463 Cb -0.02 -0.55 0.11 0.00 0.03 0.00 0.00 46.19 45.76 1xsj s LEU 463 CO 0.06 -0.67 0.13 0.12 0.23 0.00 0.00 176.35 176.23 1xsj s PHE 464 N -3.03 2.20 -0.10 0.29 5.36 -0.91 -3.78 117.98 118.01 1xsj s PHE 464 Ca 0.28 -2.20 -0.02 0.00 -0.96 0.00 0.00 56.93 54.03 1xsj s PHE 464 Cb 0.07 -2.02 -0.03 0.00 -0.34 0.00 0.00 43.02 40.70 1xsj s PHE 464 CO 0.14 -0.86 -0.03 0.00 -1.46 0.00 0.00 175.22 173.00 1xsj s ALA 465 N 1.08 3.11 -0.13 11.12 0.00 0.83 -0.74 121.76 137.03 1xsj s ALA 465 Ca 0.12 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1xsj s ALA 465 Cb -0.20 -1.42 -0.24 0.00 0.00 0.00 0.00 23.12 21.26 1xsj s ALA 465 CO -0.14 0.48 0.33 -2.13 0.00 0.00 0.00 175.76 174.30 1xsj n ARG 466 N 2.55 0.70 -4.60 0.00 0.63 -0.96 -1.65 116.66 113.33 1xsj n ARG 466 Ca -0.18 0.23 -0.30 0.00 -0.92 0.00 0.00 57.85 56.68 1xsj n ARG 466 Cb 0.53 -1.69 -0.09 0.00 0.45 0.00 0.00 32.46 31.67 1xsj n ARG 466 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1xsj s SER 467 N -6.55 4.08 0.15 6.15 1.04 -1.25 -4.51 113.70 112.81 1xsj s SER 467 Ca -0.18 -1.46 -0.25 0.00 0.48 0.00 0.00 55.95 54.54 1xsj s SER 467 Cb 0.07 0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.30 1xsj s SER 467 CO 0.77 -0.67 0.95 0.00 0.98 0.00 0.00 173.24 175.26 1xsj s ALA 468 N -2.78 -1.64 0.27 5.32 0.00 -1.24 -4.92 121.76 116.77 1xsj s ALA 468 Ca 0.22 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.11 1xsj s ALA 468 Cb 0.05 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.83 1xsj s ALA 468 CO 0.12 -1.04 0.69 0.45 0.00 0.00 0.00 175.76 175.98 1xsj s SER 469 N -2.93 -0.24 0.05 0.00 0.15 -1.26 -3.86 113.70 105.60 1xsj s SER 469 Ca 0.12 -0.64 -0.37 0.00 0.70 0.00 0.00 55.95 55.76 1xsj s SER 469 Cb -0.02 0.71 -0.16 0.00 -1.71 0.00 0.00 66.02 64.84 1xsj s SER 469 CO 0.02 -1.32 1.42 0.52 1.20 0.00 0.00 173.24 175.09 1xsj n VAL 470 N -0.45 0.05 0.00 4.45 0.31 -1.26 -1.16 118.33 120.26 1xsj n VAL 470 Ca -0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1xsj n VAL 470 Cb 0.59 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 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 2.85 3.46 0.00 2.92 0.00 -1.26 -4.64 105.19 108.53 1xsj n GLY 471 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1xsj n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsj n ALA 472 N -1.90 1.95 0.18 4.61 0.00 -0.31 -1.90 120.51 123.14 1xsj n ALA 472 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1xsj n ALA 472 Cb 0.00 -1.33 0.58 0.00 0.00 0.00 0.00 19.45 18.70 1xsj n ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsj n GLN 473 N -1.45 0.14 0.09 0.00 0.00 -1.26 -1.46 117.38 113.45 1xsj n GLN 473 Ca 0.06 0.62 0.12 0.00 0.00 0.00 0.00 57.00 57.80 1xsj n GLN 473 Cb 0.22 -1.95 0.45 0.00 0.00 0.00 0.00 30.24 28.96 1xsj n GLN 473 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1xsj n LYS 474 N -2.25 0.17 -3.25 2.61 5.02 -0.80 -3.89 118.16 115.78 1xsj n LYS 474 Ca -0.01 0.29 -0.29 0.00 -2.02 0.00 0.00 58.31 56.28 1xsj n LYS 474 Cb 0.05 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 33.24 1xsj n LYS 474 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xsj n PHE 475 N -2.09 3.54 -1.48 2.13 3.72 -0.53 -3.85 117.46 118.90 1xsj n PHE 475 Ca 0.04 -3.88 -0.29 0.00 -0.05 0.00 0.00 57.45 53.27 1xsj n PHE 475 Cb 0.30 -0.65 0.15 0.00 -0.94 0.00 0.00 39.48 38.34 1xsj n PHE 475 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xsj s PRO 476 N -2.79 0.81 0.00 -1.08 0.04 -1.26 -4.69 135.00 126.04 1xsj s PRO 476 Ca 0.41 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1xsj s PRO 476 Cb 0.16 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1xsj s PRO 476 CO -0.02 -2.41 0.00 0.28 0.04 0.00 0.00 177.00 174.89 1xsj n VAL 477 N -3.90 -2.02 -4.64 -0.36 0.31 -1.25 -0.71 118.33 105.77 1xsj n VAL 477 Ca 0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.07 1xsj n VAL 477 Cb 0.59 -2.50 -0.11 0.00 -0.91 0.00 0.00 33.84 30.91 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 0.00 2.88 0.15 3.52 3.76 -1.22 -0.12 115.29 124.26 1xsj s HIS 478 Ca 0.00 -0.02 0.10 0.00 -0.15 0.00 0.00 55.06 54.99 1xsj s HIS 478 Cb 0.00 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.98 1xsj s HIS 478 CO 0.00 0.32 -0.24 1.67 -0.85 0.00 0.00 174.74 175.64 1xsj s TRP 479 N -0.84 2.14 -1.97 1.40 -2.14 -0.66 -0.41 118.94 116.47 1xsj s TRP 479 Ca 0.13 -0.39 0.00 0.00 2.66 0.00 0.00 56.10 58.50 1xsj s TRP 479 Cb -0.11 -1.12 0.00 0.00 -3.10 0.00 0.00 33.47 29.14 1xsj s TRP 479 CO 0.03 0.36 0.61 0.41 -2.66 0.00 0.00 176.95 175.69 1xsj n GLY 480 N 0.69 -0.57 7.00 3.67 0.00 -0.68 -4.65 105.19 110.66 1xsj n GLY 480 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xsj n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsj n GLY 481 N 0.12 0.35 3.43 -0.02 0.00 -1.26 -4.65 105.19 103.16 1xsj n GLY 481 Ca 0.00 -0.89 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 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 0.95 1.61 1.01 -1.26 -4.64 116.67 117.36 1xsj s ASP 482 Ca 0.00 -2.92 -0.15 0.00 0.71 0.00 0.00 52.55 50.18 1xsj s ASP 482 Cb 0.00 -2.36 0.19 0.00 1.01 0.00 0.00 42.92 41.77 1xsj s ASP 482 CO 0.00 -0.71 1.31 0.00 0.21 0.00 0.00 175.17 175.98 1xsj s TYR 484 N -3.86 2.52 -1.43 0.00 2.02 -1.26 -1.28 117.35 114.05 1xsj s TYR 484 Ca 0.73 -0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 57.05 1xsj s TYR 484 Cb -0.04 -1.20 0.06 0.00 -0.40 0.00 0.00 41.96 40.38 1xsj s TYR 484 CO 0.53 0.55 2.29 0.00 -1.57 0.00 0.00 175.55 177.35 1xsj n ALA 485 N -0.13 6.00 -3.19 3.71 0.00 -0.17 -4.37 120.51 122.37 1xsj n ALA 485 Ca -0.10 -3.95 -0.09 0.00 0.00 0.00 0.00 53.44 49.30 1xsj n ALA 485 Cb 0.57 -3.29 -0.05 0.00 0.00 0.00 0.00 19.45 16.67 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 2.13 -0.13 0.16 0.00 2.20 -1.26 -4.40 114.94 113.64 1xsj s ASN 486 Ca 0.50 -0.77 -0.11 0.00 -0.94 0.00 0.00 52.86 51.53 1xsj s ASN 486 Cb 0.14 0.57 0.04 0.00 -2.00 0.00 0.00 41.25 40.01 1xsj s ASN 486 CO -0.06 -1.09 1.64 1.88 -2.94 0.00 0.00 177.10 176.53 1xsj h TYR 487 N 2.27 0.99 -0.96 1.54 0.05 -1.90 -1.94 116.97 117.02 1xsj h TYR 487 Ca -0.27 -0.15 0.07 0.00 0.05 0.00 0.00 58.73 58.43 1xsj h TYR 487 Cb 1.25 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 38.66 1xsj h TYR 487 CO 0.39 0.89 0.62 0.93 -1.05 0.00 0.00 178.16 179.93 1xsj h GLU 488 N 0.81 1.07 0.05 4.88 3.07 -1.94 -1.01 114.58 121.52 1xsj h GLU 488 Ca 0.16 -0.06 -0.23 0.00 -0.50 0.00 0.00 59.36 58.73 1xsj h GLU 488 Cb 0.45 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1xsj h GLU 488 CO 0.02 0.71 -1.06 1.03 -1.40 0.00 0.00 179.01 178.30 1xsj h SER 489 N 1.10 0.22 -0.71 1.42 0.87 -1.75 -1.39 113.55 113.30 1xsj h SER 489 Ca 0.41 -0.22 0.11 0.00 -1.23 0.00 0.00 61.79 60.87 1xsj h SER 489 Cb 0.19 -0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 62.00 1xsj h SER 489 CO -0.16 1.14 0.31 -0.03 -0.53 0.00 0.00 176.83 177.56 1xsj h MET 490 N 0.05 0.49 -0.35 2.24 -1.53 -1.06 -0.53 114.93 114.25 1xsj h MET 490 Ca -0.06 -0.03 -0.17 0.00 -3.44 0.00 0.00 59.70 56.00 1xsj h MET 490 Cb 1.79 -0.11 -0.00 0.00 -0.55 0.00 0.00 31.60 32.72 1xsj h MET 490 CO 0.16 0.33 -0.44 0.00 0.14 0.00 0.00 176.91 177.10 1xsj h ALA 491 N 1.47 0.56 -0.48 0.39 0.00 -0.93 -1.92 119.26 118.36 1xsj h ALA 491 Ca 0.37 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1xsj h ALA 491 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xsj h ALA 491 CO -0.33 0.68 -0.20 1.05 0.00 0.00 0.00 179.25 180.45 1xsj h GLU 492 N 0.72 0.98 -0.10 0.00 4.11 -1.13 -2.08 114.58 117.08 1xsj h GLU 492 Ca 0.05 -0.42 0.04 0.00 0.07 0.00 0.00 59.36 59.10 1xsj h GLU 492 Cb 1.03 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 1xsj h GLU 492 CO 0.10 1.09 -0.25 0.77 0.07 0.00 0.00 179.01 180.79 1xsj h SER 493 N 0.84 -0.78 -0.46 3.06 0.02 -1.04 -1.67 113.55 113.53 1xsj h SER 493 Ca 0.11 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.27 1xsj h SER 493 Cb 0.78 0.34 -0.09 0.00 0.14 0.00 0.00 62.40 63.56 1xsj h SER 493 CO 0.06 -0.31 -0.14 0.25 -1.14 0.00 0.00 176.83 175.55 1xsj h LEU 494 N -0.34 -0.51 -0.88 5.07 5.85 -1.15 0.08 115.31 123.43 1xsj h LEU 494 Ca 0.09 0.15 0.18 0.00 0.84 0.00 0.00 57.88 59.14 1xsj h LEU 494 Cb 0.47 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 41.71 1xsj h LEU 494 CO -0.29 -0.18 0.43 0.03 -0.34 0.00 0.00 178.44 178.09 1xsj h ARG 495 N -0.04 0.53 -0.32 1.25 3.08 -0.80 -0.49 114.38 117.60 1xsj h ARG 495 Ca 0.22 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1xsj h ARG 495 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1xsj h ARG 495 CO -0.49 0.35 0.03 0.78 -1.07 0.00 0.00 179.97 179.57 1xsj h GLY 496 N 0.55 0.60 0.83 0.04 0.00 -0.14 -0.76 103.07 104.18 1xsj h GLY 496 Ca 0.51 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1xsj h GLY 496 CO -0.43 0.38 0.08 -1.33 0.00 0.00 0.00 176.54 175.25 1xsj h GLY 497 N 0.37 0.27 0.77 4.60 0.00 -0.12 -0.77 103.07 108.18 1xsj h GLY 497 Ca 0.10 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1xsj h GLY 497 CO 0.01 0.03 0.14 1.41 0.00 0.00 0.00 176.54 178.13 1xsj h LEU 498 N 0.18 0.19 -0.84 3.11 3.38 -1.13 -2.93 115.31 117.27 1xsj h LEU 498 Ca 0.10 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xsj h LEU 498 Cb 0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1xsj h LEU 498 CO -0.10 0.14 0.56 0.28 0.09 0.00 0.00 178.44 179.41 1xsj h SER 499 N 0.30 0.95 0.17 -0.43 0.02 -0.87 -1.82 113.55 111.87 1xsj h SER 499 Ca 0.15 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1xsj h SER 499 Cb 0.09 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1xsj h SER 499 CO -0.13 0.68 -0.35 -0.29 -1.14 0.00 0.00 176.83 175.61 1xsj h ILE 500 N 1.12 1.28 -0.26 3.27 2.10 -1.03 -1.88 117.51 122.11 1xsj h ILE 500 Ca 0.31 -1.36 -0.11 0.00 1.08 0.00 0.00 64.86 64.78 1xsj h ILE 500 Cb -0.10 1.57 -0.01 0.00 -1.09 0.00 0.00 36.82 37.18 1xsj h ILE 500 CO -0.08 0.41 -0.31 1.23 -1.08 0.00 0.00 178.15 178.32 1xsj h GLY 501 N 1.12 0.60 1.79 8.18 0.00 -1.30 -1.19 103.07 112.26 1xsj h GLY 501 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1xsj h GLY 501 CO 0.05 0.48 0.00 1.04 0.00 0.00 0.00 176.54 178.12 1xsj n LEU 502 N -4.08 0.00 -0.53 3.11 4.77 -0.72 -2.89 117.00 116.66 1xsj n LEU 502 Ca -0.01 0.40 0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1xsj n LEU 502 Cb 0.45 -0.40 0.20 0.00 -2.33 0.00 0.00 43.42 41.35 1xsj n LEU 502 CO 0.43 -0.14 0.64 -1.20 -1.33 0.00 0.00 177.39 175.80 1xsj n SER 503 N -1.40 3.18 0.00 -1.43 7.64 -0.70 -4.65 113.62 116.27 1xsj n SER 503 Ca 0.07 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 57.00 1xsj n SER 503 Cb 0.19 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 -0.81 0.74 3.66 0.23 0.00 -1.14 -4.91 105.19 102.95 1xsj n GLY 504 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 3.28 -0.41 1.61 0.08 -0.53 -4.72 117.98 115.29 1xsj s PHE 505 Ca 0.00 0.13 0.23 0.00 0.12 0.00 0.00 56.93 57.41 1xsj s PHE 505 Cb 0.00 -2.04 0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1xsj s PHE 505 CO 0.00 0.24 1.03 0.41 -0.10 0.00 0.00 175.22 176.80 1xsj n GLY 506 N 3.28 -1.33 2.82 4.36 0.00 -1.26 -3.69 105.19 109.37 1xsj n GLY 506 Ca -0.17 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1xsj n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xsj s PHE 507 N -3.29 0.26 -0.19 1.61 0.08 -1.26 -1.67 117.98 113.51 1xsj s PHE 507 Ca 0.01 0.02 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 1xsj s PHE 507 Cb 0.12 -0.36 0.06 0.00 -0.57 0.00 0.00 43.02 42.27 1xsj s PHE 507 CO 0.79 -0.11 0.48 -0.46 -0.10 0.00 0.00 175.22 175.82 1xsj s TRP 508 N 0.95 -0.67 0.51 0.36 -0.00 -1.26 -3.41 118.94 115.42 1xsj s TRP 508 Ca -0.09 1.44 0.03 0.00 -0.00 0.00 0.00 56.10 57.48 1xsj s TRP 508 Cb -0.13 0.31 -0.01 0.00 -0.00 0.00 0.00 33.47 33.65 1xsj s TRP 508 CO -0.02 -0.35 0.12 0.45 -0.00 0.00 0.00 176.95 177.15 1xsj s SER 509 N 1.14 4.27 0.09 5.86 0.15 0.45 -3.51 113.70 122.16 1xsj s SER 509 Ca -0.07 -1.50 -0.24 0.00 0.70 0.00 0.00 55.95 54.84 1xsj s SER 509 Cb -0.06 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.70 1xsj s SER 509 CO -0.11 -0.88 0.59 -1.38 1.20 0.00 0.00 173.24 172.66 1xsj s HIS 510 N -2.82 -0.52 -0.44 3.44 -3.43 -1.26 -1.69 115.29 108.56 1xsj s HIS 510 Ca 0.17 0.49 -0.28 0.00 -0.80 0.00 0.00 55.06 54.63 1xsj s HIS 510 Cb 0.01 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.64 1xsj s HIS 510 CO 0.10 -0.75 1.50 -0.51 -2.00 0.00 0.00 174.74 173.07 1xsj s ASP 511 N -2.29 6.17 0.08 7.38 -0.00 -1.26 -4.24 116.67 122.50 1xsj s ASP 511 Ca -0.02 0.77 -0.31 0.00 -0.00 0.00 0.00 52.55 52.99 1xsj s ASP 511 Cb -0.01 -2.54 -0.08 0.00 -0.00 0.00 0.00 42.92 40.29 1xsj s ASP 511 CO -0.06 -1.58 1.63 -0.63 -0.00 0.00 0.00 175.17 174.53 1xsj s ILE 512 N 5.99 3.01 0.00 0.77 1.01 -0.16 -1.05 121.20 130.77 1xsj s ILE 512 Ca 0.63 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1xsj s ILE 512 Cb -0.14 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1xsj s ILE 512 CO 0.31 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1xsj n GLY 513 N 3.95 0.70 0.00 6.18 0.00 -1.26 -4.13 105.19 110.63 1xsj n GLY 513 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1xsj n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsj n GLY 514 N -2.00 -0.38 0.06 -0.02 0.00 -0.22 -4.32 105.19 98.32 1xsj n GLY 514 Ca 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.10 1.61 3.04 -1.71 -3.42 116.94 113.36 1xsj h PHE 515 Ca 0.00 0.00 -0.60 0.00 3.98 0.00 0.00 57.97 61.35 1xsj h PHE 515 Cb 0.00 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 1xsj h PHE 515 CO 0.00 0.10 -0.15 -1.21 -2.02 0.00 0.00 178.31 175.02 1xsj s GLU 516 N -1.91 3.98 0.03 1.11 0.41 -0.40 -0.15 118.70 121.77 1xsj s GLU 516 Ca -0.08 0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.97 1xsj s GLU 516 Cb 0.01 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.17 1xsj s GLU 516 CO 0.14 0.66 0.00 0.09 -0.49 0.00 0.00 175.26 175.66 1xsj n ASN 517 N 1.67 -0.44 -4.49 -0.19 5.03 -1.26 -1.00 115.26 114.58 1xsj n ASN 517 Ca -0.12 0.07 -0.38 0.00 0.87 0.00 0.00 54.58 55.02 1xsj n ASN 517 Cb 0.52 -0.27 -0.12 0.00 -1.02 0.00 0.00 39.78 38.89 1xsj n ASN 517 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xsj s THR 518 N -2.82 4.77 0.43 3.41 2.01 -1.26 -4.55 115.64 117.64 1xsj s THR 518 Ca 0.00 -0.16 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 1xsj s THR 518 Cb 0.00 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 1xsj s THR 518 CO 0.00 0.20 1.43 0.00 -0.69 0.00 0.00 174.62 175.56 1xsj s ALA 519 N 1.67 3.30 0.66 7.40 0.00 -1.26 -4.99 121.76 128.53 1xsj s ALA 519 Ca 0.06 1.47 -0.17 0.00 0.00 0.00 0.00 51.96 53.31 1xsj s ALA 519 Cb -0.16 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.37 1xsj s ALA 519 CO 0.07 -1.14 1.23 -2.14 0.00 0.00 0.00 175.76 173.78 1xsj s PRO 520 N -2.37 2.57 0.34 0.00 0.02 -1.26 -4.81 135.00 129.48 1xsj s PRO 520 Ca 0.59 1.86 0.11 0.00 0.02 0.00 0.00 61.00 63.58 1xsj s PRO 520 Cb -0.44 -1.87 0.89 0.00 0.02 0.00 0.00 34.50 33.10 1xsj s PRO 520 CO 0.57 -1.53 1.77 0.00 -0.33 0.00 0.00 177.00 177.48 1xsj h ALA 521 N 0.37 1.88 -0.52 -1.55 0.00 -1.95 -1.70 119.26 115.80 1xsj h ALA 521 Ca -0.50 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xsj h ALA 521 Cb 1.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1xsj h ALA 521 CO 0.53 -0.27 0.31 1.12 0.00 0.00 0.00 179.25 180.93 1xsj h HIS 522 N 0.60 0.68 -0.13 0.00 2.07 -1.98 -0.72 115.15 115.67 1xsj h HIS 522 Ca 0.59 -0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.10 1xsj h HIS 522 Cb 1.14 -0.22 -0.01 0.00 2.57 0.00 0.00 27.41 30.89 1xsj h HIS 522 CO -0.00 0.47 0.05 0.28 -3.07 0.00 0.00 177.93 175.66 1xsj h VAL 523 N 0.69 1.15 -0.42 6.12 2.07 -1.69 -2.00 116.25 122.18 1xsj h VAL 523 Ca 0.19 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.32 1xsj h VAL 523 Cb -0.01 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 1xsj h VAL 523 CO -0.03 0.14 -0.06 0.22 0.02 0.00 0.00 177.57 177.86 1xsj h TYR 524 N 0.05 -0.13 -0.46 1.57 3.20 -1.19 -1.87 116.97 118.14 1xsj h TYR 524 Ca 0.04 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1xsj h TYR 524 Cb 0.18 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1xsj h TYR 524 CO -0.01 -0.14 0.28 0.87 -1.64 0.00 0.00 178.16 177.52 1xsj h LYS 525 N 0.05 0.61 -0.74 1.82 1.57 -0.88 0.21 116.57 119.21 1xsj h LYS 525 Ca 0.20 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1xsj h LYS 525 Cb 0.30 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1xsj h LYS 525 CO -0.39 0.44 0.46 0.00 -0.57 0.00 0.00 179.45 179.38 1xsj h ARG 526 N 0.61 0.85 -0.10 3.15 2.47 -1.16 -2.71 114.38 117.50 1xsj h ARG 526 Ca 0.16 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.70 1xsj h ARG 526 Cb -0.03 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.09 1xsj h ARG 526 CO -0.03 0.56 -0.53 2.35 0.56 0.00 0.00 179.97 182.88 1xsj h TRP 527 N 0.88 0.35 -0.52 3.04 2.91 -0.90 -2.60 115.95 119.10 1xsj h TRP 527 Ca 0.31 -0.12 0.06 0.00 1.13 0.00 0.00 58.89 60.27 1xsj h TRP 527 Cb 0.07 -0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 28.60 1xsj h TRP 527 CO -0.04 0.75 0.23 0.00 -1.03 0.00 0.00 178.44 178.35 1xsj h ALA 529 N 1.32 0.91 -0.29 0.00 0.00 -1.34 -1.56 119.26 118.30 1xsj h ALA 529 Ca 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xsj h ALA 529 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xsj h ALA 529 CO -0.21 0.62 0.09 0.35 0.00 0.00 0.00 179.25 180.10 1xsj h PHE 530 N 1.03 0.46 -0.77 0.00 3.57 -1.24 -2.84 116.94 117.17 1xsj h PHE 530 Ca 0.22 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1xsj h PHE 530 Cb 0.34 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1xsj h PHE 530 CO 0.03 0.49 0.41 0.78 -2.23 0.00 0.00 178.31 177.79 1xsj h GLY 531 N 0.31 1.14 1.05 2.40 0.00 -0.32 -2.40 103.07 105.26 1xsj h GLY 531 Ca 0.09 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1xsj h GLY 531 CO -0.00 0.49 -0.13 1.04 0.00 0.00 0.00 176.54 177.94 1xsj n LEU 532 N -4.35 0.41 -0.89 3.11 7.99 -0.63 -2.36 117.00 120.29 1xsj n LEU 532 Ca 0.08 0.07 0.07 0.00 -0.01 0.00 0.00 56.01 56.22 1xsj n LEU 532 Cb 0.10 -0.23 0.25 0.00 -0.11 0.00 0.00 43.42 43.43 1xsj n LEU 532 CO 0.38 0.08 0.71 0.18 -1.51 0.00 0.00 177.39 177.23 1xsj n LEU 533 N -1.08 3.86 -4.83 2.23 7.99 -0.94 -4.65 117.00 119.59 1xsj n LEU 533 Ca 0.13 -3.11 -0.22 0.00 -0.01 0.00 0.00 56.01 52.80 1xsj n LEU 533 Cb 0.29 -0.55 -0.04 0.00 -0.11 0.00 0.00 43.42 43.01 1xsj n LEU 533 CO 0.25 0.74 -0.10 -0.44 -1.51 0.00 0.00 177.39 176.33 1xsj s SER 534 N -2.05 5.14 0.19 -1.43 0.01 -0.99 -4.96 113.70 109.62 1xsj s SER 534 Ca 0.42 -0.57 -0.11 0.00 1.31 0.00 0.00 55.95 57.00 1xsj s SER 534 Cb 0.35 -0.90 0.18 0.00 0.21 0.00 0.00 66.02 65.86 1xsj s SER 534 CO 0.08 -0.36 1.81 0.77 0.41 0.00 0.00 173.24 175.95 1xsj h SER 535 N 1.30 0.52 -4.17 2.44 4.64 -1.85 -3.42 113.55 113.01 1xsj h SER 535 Ca -0.44 0.02 -0.50 0.00 -0.47 0.00 0.00 61.79 60.39 1xsj h SER 535 Cb 1.25 -0.09 -0.30 0.00 -0.31 0.00 0.00 62.40 62.96 1xsj h SER 535 CO 0.59 0.35 -0.82 -1.00 -0.87 0.00 0.00 176.83 175.09 1xsj s HIS 536 N -6.12 1.37 -0.23 4.77 3.76 -1.23 -4.75 115.29 112.86 1xsj s HIS 536 Ca -0.13 -0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1xsj s HIS 536 Cb 0.15 -0.89 0.07 0.00 1.11 0.00 0.00 32.58 33.01 1xsj s HIS 536 CO 0.75 -0.05 0.00 -1.12 -0.85 0.00 0.00 174.74 173.48 1xsj s SER 537 N -0.27 3.50 -0.04 1.40 0.01 -1.26 -4.30 113.70 112.74 1xsj s SER 537 Ca 0.04 -1.10 0.01 0.00 1.31 0.00 0.00 55.95 56.21 1xsj s SER 537 Cb -0.07 -0.91 0.02 0.00 0.21 0.00 0.00 66.02 65.27 1xsj s SER 537 CO -0.00 -0.29 -0.05 -0.60 0.41 0.00 0.00 173.24 172.72 1xsj s ARG 538 N 1.60 0.76 -0.43 12.44 3.52 -1.26 -0.73 118.95 134.85 1xsj s ARG 538 Ca -0.02 -0.12 -0.17 0.00 -0.13 0.00 0.00 55.73 55.29 1xsj s ARG 538 Cb -0.18 -0.76 0.03 0.00 -1.56 0.00 0.00 34.95 32.47 1xsj s ARG 538 CO -0.09 -0.05 0.44 -0.51 -0.81 0.00 0.00 175.30 174.29 1xsj s LEU 539 N 0.74 4.91 -0.04 -0.88 1.43 -0.38 -0.98 118.68 123.48 1xsj s LEU 539 Ca -0.10 -0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 52.22 1xsj s LEU 539 Cb -0.13 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.73 1xsj s LEU 539 CO 0.00 -0.60 0.15 -2.28 0.23 0.00 0.00 176.35 173.85 1xsj s HIS 540 N 2.13 -0.12 0.12 0.29 2.46 -1.26 -1.95 115.29 116.96 1xsj s HIS 540 Ca 0.12 0.28 -0.05 0.00 0.47 0.00 0.00 55.06 55.88 1xsj s HIS 540 Cb -0.18 0.03 -0.02 0.00 -0.13 0.00 0.00 32.58 32.28 1xsj s HIS 540 CO 0.13 -0.13 0.13 0.20 -2.47 0.00 0.00 174.74 172.60 1xsj s GLY 541 N -0.27 0.56 -0.08 1.59 0.00 -1.26 -4.37 107.32 103.49 1xsj s GLY 541 Ca -0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 1xsj s GLY 541 CO 0.01 -1.09 -0.05 0.23 0.00 0.00 0.00 173.10 172.19 1xsj h SER 542 N 2.81 0.00 -0.00 1.64 0.87 -0.83 -1.48 113.55 116.55 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 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1xsj h SER 542 CO 0.57 0.43 -0.13 0.29 -0.53 0.00 0.00 176.83 177.45 1xsj n LYS 543 N -3.94 2.67 -4.41 2.24 5.02 -1.26 -1.54 118.16 116.95 1xsj n LYS 543 Ca -0.02 -0.41 -0.20 0.00 -2.02 0.00 0.00 58.31 55.66 1xsj n LYS 543 Cb 0.08 -0.92 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.02 2.48 0.49 4.39 1.04 -1.26 -4.64 113.70 115.18 1xsj s SER 544 Ca 0.04 -1.22 -0.09 0.00 0.48 0.00 0.00 55.95 55.16 1xsj s SER 544 Cb 0.04 -0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 1xsj s SER 544 CO 0.15 -0.42 0.86 -0.31 0.98 0.00 0.00 173.24 174.49 1xsj s TYR 545 N -3.15 3.54 -0.36 5.02 2.02 -1.26 -4.42 117.35 118.74 1xsj s TYR 545 Ca 0.30 1.06 0.06 0.00 -0.37 0.00 0.00 57.07 58.12 1xsj s TYR 545 Cb 0.05 -2.49 0.17 0.00 -0.40 0.00 0.00 41.96 39.29 1xsj s TYR 545 CO 0.11 -0.33 1.13 0.54 -1.57 0.00 0.00 175.55 175.44 1xsj n ARG 546 N -2.01 2.81 -1.85 -0.62 5.12 -1.26 -4.91 116.66 113.94 1xsj n ARG 546 Ca 0.03 -1.87 -0.41 0.00 -1.93 0.00 0.00 57.85 53.67 1xsj n ARG 546 Cb 0.54 -1.19 -0.01 0.00 -1.16 0.00 0.00 32.46 30.64 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 -1.26 2.22 0.51 1.55 -7.23 -1.26 -4.90 120.40 110.02 1xsj s VAL 547 Ca 0.14 0.19 0.16 0.00 -1.81 0.00 0.00 61.98 60.66 1xsj s VAL 547 Cb 0.09 -3.12 0.25 0.00 0.56 0.00 0.00 36.38 34.16 1xsj s VAL 547 CO 0.06 0.04 2.12 1.55 -0.31 0.00 0.00 175.10 178.56 1xsj h PRO 548 N 4.31 0.00 0.00 4.82 0.13 -1.94 -0.78 132.00 138.54 1xsj h PRO 548 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xsj h PRO 548 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xsj h PRO 548 CO 0.74 0.04 0.00 -2.67 -0.23 0.00 0.00 178.00 175.88 1xsj n TRP 549 N -4.47 0.00 0.53 1.56 2.14 -1.26 -1.22 117.44 114.72 1xsj n TRP 549 Ca -0.03 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.66 1xsj n TRP 549 Cb 0.12 -0.28 0.45 0.00 -0.81 0.00 0.00 31.31 30.79 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 -1.28 1.88 -0.01 -1.67 0.00 -0.30 -4.47 120.51 114.66 1xsj n ALA 550 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 1xsj n ALA 550 Cb 0.15 -1.39 -0.00 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 -2.04 0.00 -3.81 0.00 4.02 -0.36 -5.09 117.16 109.89 1xsj n TYR 551 Ca 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.88 1xsj n TYR 551 Cb 0.28 -0.05 0.02 0.00 -0.02 0.00 0.00 39.34 39.57 1xsj n TYR 551 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1xsj n ASP 552 N -2.76 -1.84 -0.16 7.72 5.68 -1.17 -4.83 116.55 119.19 1xsj n ASP 552 Ca -0.01 -2.11 -0.10 0.00 -0.50 0.00 0.00 54.79 52.06 1xsj n ASP 552 Cb 0.05 3.02 -0.00 0.00 -1.14 0.00 0.00 41.12 43.05 1xsj n ASP 552 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1xsj h ASP 553 N 1.83 0.86 -0.82 -1.12 3.32 -1.92 -3.17 116.42 115.41 1xsj h ASP 553 Ca -0.28 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 56.48 1xsj h ASP 553 Cb 1.13 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.39 1xsj h ASP 553 CO 0.36 1.00 0.54 -0.08 -1.72 0.00 0.00 179.24 179.33 1xsj h GLU 554 N 0.72 0.93 -0.78 3.56 4.81 -1.97 -1.74 114.58 120.11 1xsj h GLU 554 Ca 0.13 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1xsj h GLU 554 Cb 0.59 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 1xsj h GLU 554 CO 0.04 0.62 0.51 0.77 -0.73 0.00 0.00 179.01 180.21 1xsj h SER 555 N 0.96 0.65 -0.57 1.04 0.02 -1.83 0.39 113.55 114.22 1xsj h SER 555 Ca 0.34 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.32 1xsj h SER 555 Cb 0.13 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1xsj h SER 555 CO -0.11 0.40 0.36 0.00 -1.14 0.00 0.00 176.83 176.34 1xsj h ASP 557 N 0.73 0.67 -0.06 0.00 3.32 -0.98 -1.23 116.42 118.88 1xsj h ASP 557 Ca 0.22 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xsj h ASP 557 Cb -0.04 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 1xsj h ASP 557 CO -0.07 0.87 0.03 0.58 -1.72 0.00 0.00 179.24 178.93 1xsj h VAL 558 N 0.60 1.10 -0.41 -1.35 2.07 -1.09 0.29 116.25 117.45 1xsj h VAL 558 Ca 0.09 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1xsj h VAL 558 Cb 0.66 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1xsj h VAL 558 CO 0.05 0.08 0.04 0.58 0.02 0.00 0.00 177.57 178.35 1xsj h VAL 559 N -0.02 1.25 -0.10 2.57 2.07 -1.17 -1.18 116.25 119.66 1xsj h VAL 559 Ca 0.02 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1xsj h VAL 559 Cb 0.11 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1xsj h VAL 559 CO -0.00 0.32 0.01 -0.09 0.02 0.00 0.00 177.57 177.82 1xsj h ARG 560 N 0.54 0.04 -0.56 1.57 2.43 -1.15 -0.94 114.38 116.32 1xsj h ARG 560 Ca 0.12 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1xsj h ARG 560 Cb 0.41 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1xsj h ARG 560 CO 0.01 0.03 0.17 0.35 -1.51 0.00 0.00 179.97 179.03 1xsj h PHE 561 N 0.04 0.89 0.00 2.20 3.04 -0.10 -1.74 116.94 121.28 1xsj h PHE 561 Ca 0.05 -0.09 -0.20 0.00 3.98 0.00 0.00 57.97 61.70 1xsj h PHE 561 Cb 0.05 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.27 1xsj h PHE 561 CO -0.12 0.75 -1.03 0.74 -2.02 0.00 0.00 178.31 176.63 1xsj h PHE 562 N 0.77 0.00 -0.25 0.41 0.04 -1.19 -1.93 116.94 114.80 1xsj h PHE 562 Ca 0.18 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 1xsj h PHE 562 Cb 0.28 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1xsj h PHE 562 CO 0.02 0.90 0.11 1.15 -0.60 0.00 0.00 178.31 179.89 1xsj h THR 563 N 0.00 1.16 -0.43 -1.55 2.02 -1.11 -1.49 112.91 111.51 1xsj h THR 563 Ca -0.05 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.67 1xsj h THR 563 Cb 1.73 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1xsj h THR 563 CO 0.11 0.16 0.24 1.56 0.37 0.00 0.00 175.52 177.97 1xsj h GLN 564 N 0.26 0.48 -0.30 6.66 4.20 -1.31 -1.89 115.11 123.20 1xsj h GLN 564 Ca 0.08 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.79 1xsj h GLN 564 Cb 0.16 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1xsj h GLN 564 CO -0.01 0.32 0.13 1.25 -0.67 0.00 0.00 178.83 179.84 1xsj h LEU 565 N 0.49 0.16 -0.38 1.46 5.85 -1.25 -1.69 115.31 119.95 1xsj h LEU 565 Ca 0.18 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1xsj h LEU 565 Cb 0.03 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1xsj h LEU 565 CO -0.09 0.13 0.25 0.50 -0.34 0.00 0.00 178.44 178.89 1xsj h LYS 566 N 0.27 0.50 -0.93 1.25 3.64 -0.95 0.11 116.57 120.46 1xsj h LYS 566 Ca 0.13 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1xsj h LYS 566 Cb 0.08 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 1xsj h LYS 566 CO -0.12 0.33 0.61 0.00 -2.27 0.00 0.00 179.45 178.01 1xsj h ARG 568 N 1.22 0.00 0.00 0.00 3.08 -0.77 -2.68 114.38 115.24 1xsj h ARG 568 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1xsj h ARG 568 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1xsj h ARG 568 CO -0.10 0.41 0.00 -1.33 -1.07 0.00 0.00 179.97 177.88 1xsj n MET 569 N -3.72 0.03 -0.18 0.04 2.81 0.32 -0.43 117.12 115.98 1xsj n MET 569 Ca -0.01 0.08 0.13 0.00 -1.81 0.00 0.00 57.70 56.09 1xsj n MET 569 Cb 0.49 -1.53 0.46 0.00 -0.71 0.00 0.00 33.22 31.93 1xsj n MET 569 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xsj h MET 570 N 0.00 0.50 -0.48 0.03 2.86 -1.02 -1.06 114.93 115.76 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 0.47 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 1xsj h MET 570 CO 0.00 0.33 0.23 -1.35 1.06 0.00 0.00 176.91 177.18 1xsj h PRO 571 N 0.51 0.43 0.76 -0.22 0.11 -1.77 0.38 132.00 132.21 1xsj h PRO 571 Ca 0.37 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.42 1xsj h PRO 571 Cb 0.73 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.75 1xsj h PRO 571 CO -0.13 0.29 -0.36 -0.92 -0.21 0.00 0.00 178.00 176.66 1xsj h TYR 572 N 0.45 -0.94 -0.61 0.65 3.20 -1.22 -3.23 116.97 115.26 1xsj h TYR 572 Ca 0.21 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.18 1xsj h TYR 572 Cb 0.14 0.31 -0.09 0.00 1.54 0.00 0.00 36.73 38.63 1xsj h TYR 572 CO -0.11 -0.57 0.09 -0.07 -1.64 0.00 0.00 178.16 175.85 1xsj h LEU 573 N -1.18 -0.09 -0.70 2.82 4.07 -1.11 -2.33 115.31 116.78 1xsj h LEU 573 Ca -0.10 0.13 -0.14 0.00 0.08 0.00 0.00 57.88 57.85 1xsj h LEU 573 Cb 0.80 0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 1xsj h LEU 573 CO 0.17 -0.04 -0.57 0.22 -1.08 0.00 0.00 178.44 177.14 1xsj h TYR 574 N 0.21 0.30 -0.87 1.13 3.20 -1.05 0.33 116.97 120.22 1xsj h TYR 574 Ca 0.32 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1xsj h TYR 574 Cb 0.51 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1xsj h TYR 574 CO -0.29 0.75 0.54 -0.09 -1.64 0.00 0.00 178.16 177.44 1xsj h ARG 575 N 0.18 1.16 -0.06 1.82 9.65 -1.49 -0.82 114.38 124.81 1xsj h ARG 575 Ca -0.00 -0.09 -0.14 0.00 -1.10 0.00 0.00 59.98 58.65 1xsj h ARG 575 Cb 1.06 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1xsj h ARG 575 CO 0.09 0.79 -0.60 0.93 2.80 0.00 0.00 179.97 183.98 1xsj h GLU 576 N 1.19 0.21 -0.74 0.20 4.39 -0.77 -2.55 114.58 116.50 1xsj h GLU 576 Ca 0.31 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1xsj h GLU 576 Cb -0.09 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1xsj h GLU 576 CO -0.06 0.74 0.35 0.00 -1.16 0.00 0.00 179.01 178.88 1xsj h ALA 577 N 1.22 0.96 -0.04 3.43 0.00 -0.55 -2.36 119.26 121.93 1xsj h ALA 577 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xsj h ALA 577 Cb 1.10 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xsj h ALA 577 CO 0.09 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.85 1xsj h ALA 578 N 1.17 1.88 -0.55 0.00 0.00 -0.91 -1.70 119.26 119.16 1xsj h ALA 578 Ca 0.25 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1xsj h ALA 578 Cb 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xsj h ALA 578 CO -0.03 0.09 -0.05 -0.09 0.00 0.00 0.00 179.25 179.18 1xsj h ARG 579 N 0.05 0.98 -0.84 0.00 2.43 -1.02 0.13 114.38 116.11 1xsj h ARG 579 Ca 0.01 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 1xsj h ARG 579 Cb 0.10 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1xsj h ARG 579 CO 0.00 0.99 0.48 0.00 -1.51 0.00 0.00 179.97 179.94 1xsj h ALA 580 N 1.04 1.07 -0.39 2.80 0.00 -0.94 0.26 119.26 123.10 1xsj h ALA 580 Ca 0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xsj h ALA 580 Cb 0.59 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xsj h ALA 580 CO 0.04 0.55 0.03 -0.97 0.00 0.00 0.00 179.25 178.90 1xsj h ASN 581 N 1.16 0.65 0.58 0.00 -0.73 -1.05 -0.44 115.58 115.74 1xsj h ASN 581 Ca 0.30 -0.28 -0.28 0.00 1.87 0.00 0.00 56.30 57.90 1xsj h ASN 581 Cb -0.01 -0.17 0.01 0.00 0.27 0.00 0.00 38.32 38.42 1xsj h ASN 581 CO -0.05 0.77 -1.28 0.00 -0.37 0.00 0.00 177.43 176.50 1xsj h ALA 582 N 0.90 0.06 0.00 1.57 0.00 -0.63 -3.41 119.26 117.75 1xsj h ALA 582 Ca 0.11 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1xsj h ALA 582 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xsj h ALA 582 CO 0.01 0.93 0.00 0.54 0.00 0.00 0.00 179.25 180.74 1xsj n ARG 583 N -3.56 3.77 -1.07 0.00 1.74 0.07 -5.01 116.66 112.60 1xsj n ARG 583 Ca -0.10 -0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 56.91 1xsj n ARG 583 Cb 1.04 -0.40 -0.01 0.00 -1.02 0.00 0.00 32.46 32.07 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 0.55 0.52 3.61 -0.13 0.00 -0.17 -3.16 105.19 106.41 1xsj n GLY 584 Ca 0.00 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.07 4.58 0.69 2.61 2.01 -1.23 -4.76 115.64 117.47 1xsj s THR 585 Ca 0.00 1.23 -0.15 0.00 0.31 0.00 0.00 61.69 63.08 1xsj s THR 585 Cb 0.00 -4.34 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1xsj s THR 585 CO 0.00 -0.53 1.14 -2.16 -0.69 0.00 0.00 174.62 172.38 1xsj s PRO 586 N 3.48 2.54 0.15 4.92 0.04 -1.26 -2.89 135.00 141.98 1xsj s PRO 586 Ca 0.38 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.79 1xsj s PRO 586 Cb -0.12 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.55 1xsj s PRO 586 CO 0.18 -1.47 1.68 0.52 0.04 0.00 0.00 177.00 177.95 1xsj h MET 587 N -0.15 0.81 -4.64 4.56 2.86 -1.63 -3.40 114.93 113.34 1xsj h MET 587 Ca -0.47 -0.18 -0.71 0.00 -2.06 0.00 0.00 59.70 56.28 1xsj h MET 587 Cb 1.26 -0.11 -0.20 0.00 0.06 0.00 0.00 31.60 32.60 1xsj h MET 587 CO 0.52 0.76 -0.23 1.41 1.06 0.00 0.00 176.91 180.43 1xsj s MET 588 N -5.38 3.04 -0.14 1.72 -2.45 -1.26 -1.34 119.30 113.49 1xsj s MET 588 Ca -0.13 -1.03 -0.02 0.00 -1.25 0.00 0.00 55.69 53.26 1xsj s MET 588 Cb 0.12 -4.05 -0.02 0.00 1.25 0.00 0.00 34.83 32.12 1xsj s MET 588 CO 0.79 -0.97 -0.08 1.03 1.05 0.00 0.00 175.02 176.84 1xsj s ARG 589 N 2.00 3.50 0.58 4.11 0.52 -0.06 -4.75 118.95 124.86 1xsj s ARG 589 Ca 0.09 -0.59 -0.20 0.00 -0.52 0.00 0.00 55.73 54.51 1xsj s ARG 589 Cb -0.20 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.44 1xsj s ARG 589 CO 0.10 0.26 1.13 0.00 0.02 0.00 0.00 175.30 176.81 1xsj n ALA 590 N 3.45 0.73 0.06 2.13 0.00 -1.26 -0.99 120.51 124.62 1xsj n ALA 590 Ca -0.18 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.42 1xsj n ALA 590 Cb 0.53 -2.21 0.55 0.00 0.00 0.00 0.00 19.45 18.31 1xsj n ALA 590 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1xsj h MET 591 N 0.85 0.26 0.00 0.00 0.00 -1.80 -0.81 114.93 113.43 1xsj h MET 591 Ca -0.49 -0.02 -0.05 0.00 0.00 0.00 0.00 59.70 59.14 1xsj h MET 591 Cb 1.34 -0.06 -0.01 0.00 0.00 0.00 0.00 31.60 32.87 1xsj h MET 591 CO 0.53 0.17 -0.25 0.00 0.00 0.00 0.00 176.91 177.37 1xsj h MET 592 N 0.27 0.00 -0.22 1.72 -0.00 -1.84 -0.21 114.93 114.65 1xsj h MET 592 Ca 0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.77 1xsj h MET 592 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.86 1xsj h MET 592 CO -0.03 0.25 -0.18 1.98 -0.00 0.00 0.00 176.91 178.93 1xsj h MET 593 N 0.00 0.51 0.00 -0.10 -1.53 -1.50 -2.78 114.93 109.53 1xsj h MET 593 Ca -0.00 -0.25 -0.20 0.00 -3.44 0.00 0.00 59.70 55.80 1xsj h MET 593 Cb 0.45 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.47 1xsj h MET 593 CO 0.03 0.82 -1.03 1.49 0.14 0.00 0.00 176.91 178.36 1xsj h GLU 594 N 0.21 0.00 -2.15 0.39 4.57 -1.47 -3.39 114.58 112.74 1xsj h GLU 594 Ca 0.04 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.65 1xsj h GLU 594 Cb 0.71 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 28.89 1xsj h GLU 594 CO 0.05 0.82 -0.81 1.19 -1.18 0.00 0.00 179.01 179.07 1xsj n PHE 595 N -3.27 2.39 0.29 0.92 3.01 -0.10 -4.95 117.46 115.75 1xsj n PHE 595 Ca -0.02 -3.94 0.18 0.00 1.01 0.00 0.00 57.45 54.68 1xsj n PHE 595 Cb 0.92 -0.47 0.74 0.00 -0.01 0.00 0.00 39.48 40.65 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 3.57 0.00 -0.15 -1.08 0.13 -1.69 -2.22 132.00 130.56 1xsj h PRO 596 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1xsj h PRO 596 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1xsj h PRO 596 CO 0.70 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.22 1xsj n ASP 597 N -3.07 2.17 -4.35 1.44 8.00 -1.26 -4.84 116.55 114.63 1xsj n ASP 597 Ca 0.00 -1.76 -0.42 0.00 0.71 0.00 0.00 54.79 53.33 1xsj n ASP 597 Cb 0.28 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 41.19 1xsj n ASP 597 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xsj s ASP 598 N -1.72 5.87 0.65 -2.24 -1.08 -0.84 -4.95 116.67 112.36 1xsj s ASP 598 Ca 0.34 -1.27 0.43 0.00 -0.52 0.00 0.00 52.55 51.53 1xsj s ASP 598 Cb 0.20 -2.08 2.26 0.00 -1.46 0.00 0.00 42.92 41.84 1xsj s ASP 598 CO 0.30 -0.53 2.31 1.55 0.52 0.00 0.00 175.17 179.32 1xsj h PRO 599 N 8.55 0.00 0.00 4.34 0.13 -1.88 -0.27 132.00 142.87 1xsj h PRO 599 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xsj h PRO 599 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1xsj h PRO 599 CO 0.77 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.54 1xsj h ALA 600 N 2.00 1.00 -0.00 -0.56 0.00 -1.94 -3.27 119.26 116.48 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 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xsj h ALA 600 CO 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 179.25 178.75 1xsj h ASP 602 N 0.17 -0.75 -0.51 0.00 3.32 -1.67 -3.01 116.42 113.98 1xsj h ASP 602 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1xsj h ASP 602 Cb 0.50 0.50 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1xsj h ASP 602 CO 0.00 -0.27 0.00 -1.22 -1.72 0.00 0.00 179.24 176.03 1xsj n TYR 603 N -5.52 0.67 -2.01 4.55 4.01 -1.26 -4.88 117.16 112.72 1xsj n TYR 603 Ca 0.12 -0.50 -0.42 0.00 -0.16 0.00 0.00 57.90 56.93 1xsj n TYR 603 Cb 0.41 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.40 1xsj n TYR 603 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsj s LEU 604 N -1.00 4.33 0.00 7.72 1.43 -1.13 -4.82 118.68 125.20 1xsj s LEU 604 Ca 0.34 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1xsj s LEU 604 Cb 0.18 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1xsj s LEU 604 CO 0.23 -0.91 0.20 -0.90 0.23 0.00 0.00 176.35 175.20 1xsj n ASP 605 N 6.91 0.28 -0.83 2.29 3.85 -1.26 -4.56 116.55 123.24 1xsj n ASP 605 Ca 0.17 -1.04 0.07 0.00 -0.71 0.00 0.00 54.79 53.28 1xsj n ASP 605 Cb 0.43 0.00 0.20 0.00 -1.35 0.00 0.00 41.12 40.39 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 -0.02 2.79 -3.85 0.11 1.74 -1.26 -4.51 116.66 111.66 1xsj n ARG 606 Ca 0.00 -2.20 -0.09 0.00 -0.77 0.00 0.00 57.85 54.79 1xsj n ARG 606 Cb 0.23 -1.35 -0.05 0.00 -1.02 0.00 0.00 32.46 30.27 1xsj n ARG 606 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1xsj s GLN 607 N -1.01 1.31 0.26 5.56 -2.07 -1.26 -3.95 119.66 118.51 1xsj s GLN 607 Ca 0.30 -1.02 -0.20 0.00 -1.82 0.00 0.00 55.36 52.63 1xsj s GLN 607 Cb 0.16 0.46 0.02 0.00 -1.09 0.00 0.00 33.01 32.56 1xsj s GLN 607 CO 0.21 -0.53 0.66 1.52 -1.32 0.00 0.00 175.29 175.83 1xsj s TYR 608 N -3.92 -0.12 -0.17 9.60 -0.85 -0.15 -4.57 117.35 117.17 1xsj s TYR 608 Ca 0.13 -0.31 -0.14 0.00 -0.52 0.00 0.00 57.07 56.24 1xsj s TYR 608 Cb 0.01 0.60 -0.05 0.00 0.38 0.00 0.00 41.96 42.90 1xsj s TYR 608 CO -0.01 -1.16 0.31 -1.64 -1.52 0.00 0.00 175.55 171.53 1xsj s MET 609 N -3.92 4.24 -0.65 -3.49 -1.94 -0.16 -0.23 119.30 113.14 1xsj s MET 609 Ca 0.12 0.10 -0.16 0.00 -1.71 0.00 0.00 55.69 54.05 1xsj s MET 609 Cb -0.05 -3.45 0.15 0.00 2.01 0.00 0.00 34.83 33.50 1xsj s MET 609 CO 0.06 0.18 0.64 -1.17 -0.01 0.00 0.00 175.02 174.71 1xsj s LEU 610 N 0.65 6.21 0.00 -0.03 2.96 0.11 -0.88 118.68 127.70 1xsj s LEU 610 Ca 0.17 -2.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.05 1xsj s LEU 610 Cb -0.13 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1xsj s LEU 610 CO 0.05 -0.82 0.00 0.61 -1.32 0.00 0.00 176.35 174.87 1xsj n GLY 611 N 4.87 -1.85 0.29 7.98 0.00 -0.45 -3.80 105.19 112.23 1xsj n GLY 611 Ca -0.03 -1.33 0.02 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 -0.06 0.45 0.00 1.61 3.32 -1.92 -3.37 116.42 116.46 1xsj h ASP 612 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1xsj h ASP 612 Cb 0.06 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1xsj h ASP 612 CO 0.00 0.43 -0.64 0.59 -1.72 0.00 0.00 179.24 177.89 1xsj n ASN 613 N -4.38 1.49 -4.16 6.45 3.02 -1.26 -4.97 115.26 111.45 1xsj n ASN 613 Ca 0.02 -0.41 -0.30 0.00 -0.03 0.00 0.00 54.58 53.86 1xsj n ASN 613 Cb 0.15 1.10 -0.17 0.00 -0.61 0.00 0.00 39.78 40.25 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 -1.87 1.82 -0.27 2.41 0.11 -1.25 -0.85 120.40 120.51 1xsj s VAL 614 Ca 0.01 -0.87 -0.15 0.00 -2.93 0.00 0.00 61.98 58.03 1xsj s VAL 614 Cb 0.04 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 1xsj s VAL 614 CO 0.25 0.51 0.40 -0.32 -3.33 0.00 0.00 175.10 172.60 1xsj s MET 615 N 0.55 4.03 -0.03 1.54 1.75 0.49 0.09 119.30 127.72 1xsj s MET 615 Ca -0.15 0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.40 1xsj s MET 615 Cb -0.17 -3.65 -0.03 0.00 2.84 0.00 0.00 34.83 33.82 1xsj s MET 615 CO 0.05 -0.28 -0.07 0.54 -0.65 0.00 0.00 175.02 174.61 1xsj s VAL 616 N 2.07 3.62 -0.33 10.11 0.11 0.68 -1.29 120.40 135.37 1xsj s VAL 616 Ca 0.16 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1xsj s VAL 616 Cb -0.16 -2.52 0.11 0.00 -1.53 0.00 0.00 36.38 32.28 1xsj s VAL 616 CO 0.10 0.50 0.13 0.00 -3.33 0.00 0.00 175.10 172.50 1xsj s ALA 617 N -0.89 1.52 0.83 1.54 0.00 -0.50 -0.98 121.76 123.28 1xsj s ALA 617 Ca 0.15 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.20 1xsj s ALA 617 Cb -0.11 -1.64 0.10 0.00 0.00 0.00 0.00 23.12 21.46 1xsj s ALA 617 CO 0.04 -1.76 1.19 -2.14 0.00 0.00 0.00 175.76 173.10 1xsj s PRO 618 N 1.42 1.47 -0.24 0.00 0.02 -1.25 -3.95 135.00 132.48 1xsj s PRO 618 Ca 0.12 1.71 -0.06 0.00 0.02 0.00 0.00 61.00 62.78 1xsj s PRO 618 Cb -0.19 -1.76 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 1xsj s PRO 618 CO -0.20 -2.33 0.04 0.08 -0.33 0.00 0.00 177.00 174.26 1xsj s VAL 619 N -2.27 4.11 -0.32 3.83 1.01 -1.26 -4.97 120.40 120.52 1xsj s VAL 619 Ca 0.72 -0.24 0.15 0.00 0.00 0.00 0.00 61.98 62.61 1xsj s VAL 619 Cb -0.27 -2.90 0.69 0.00 0.00 0.00 0.00 36.38 33.89 1xsj s VAL 619 CO 0.52 0.37 1.60 0.49 0.00 0.00 0.00 175.10 178.08 1xsj n PHE 620 N 4.79 1.55 -4.31 5.22 3.72 -1.26 -4.83 117.46 122.33 1xsj n PHE 620 Ca -0.17 -0.77 -0.23 0.00 -0.05 0.00 0.00 57.45 56.23 1xsj n PHE 620 Cb 0.51 -0.40 -0.13 0.00 -0.94 0.00 0.00 39.48 38.53 1xsj n PHE 620 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1xsj s THR 621 N -2.66 1.56 0.11 4.37 -4.23 -1.26 -4.90 115.64 108.62 1xsj s THR 621 Ca 0.49 -1.42 -0.20 0.00 -1.18 0.00 0.00 61.69 59.38 1xsj s THR 621 Cb 0.37 -1.42 -0.08 0.00 1.34 0.00 0.00 72.50 72.72 1xsj s THR 621 CO 0.14 -0.05 1.69 -0.08 -0.54 0.00 0.00 174.62 175.78 1xsj h GLU 622 N 4.27 0.30 0.00 3.99 4.81 -1.92 -3.05 114.58 122.98 1xsj h GLU 622 Ca -0.44 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1xsj h GLU 622 Cb 1.18 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 1xsj h GLU 622 CO 0.40 0.30 -0.05 0.00 -0.73 0.00 0.00 179.01 178.93 1xsj h ALA 623 N 0.99 1.18 0.00 2.92 0.00 -1.97 -3.47 119.26 118.91 1xsj h ALA 623 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xsj h ALA 623 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xsj h ALA 623 CO -0.01 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1xsj n GLY 624 N -0.74 0.67 3.78 0.00 0.00 -1.15 -4.57 105.19 103.17 1xsj n GLY 624 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.48 6.47 -0.21 1.61 1.01 -1.26 -0.97 116.67 120.85 1xsj s ASP 625 Ca 0.00 2.94 -0.17 0.00 0.71 0.00 0.00 52.55 56.03 1xsj s ASP 625 Cb 0.00 -2.66 0.06 0.00 1.01 0.00 0.00 42.92 41.33 1xsj s ASP 625 CO 0.00 -0.77 0.55 0.54 0.21 0.00 0.00 175.17 175.69 1xsj s VAL 626 N -1.11 -0.00 -0.05 -1.27 0.11 -0.64 -4.31 120.40 113.13 1xsj s VAL 626 Ca 0.52 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.63 1xsj s VAL 626 Cb -0.44 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 33.61 1xsj s VAL 626 CO 0.60 0.01 -0.18 -1.10 -3.33 0.00 0.00 175.10 171.10 1xsj s GLN 627 N 0.68 2.47 -0.02 1.54 -0.21 -1.26 -1.59 119.66 121.26 1xsj s GLN 627 Ca -0.03 -0.77 -0.17 0.00 0.02 0.00 0.00 55.36 54.41 1xsj s GLN 627 Cb -0.05 -2.29 0.03 0.00 1.00 0.00 0.00 33.01 31.70 1xsj s GLN 627 CO -0.05 0.56 0.37 -0.59 -2.12 0.00 0.00 175.29 173.46 1xsj s PHE 628 N -0.58 -0.26 -0.09 0.91 -0.12 -0.59 -4.99 117.98 112.26 1xsj s PHE 628 Ca 0.08 0.41 -0.10 0.00 -0.05 0.00 0.00 56.93 57.27 1xsj s PHE 628 Cb -0.11 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.38 1xsj s PHE 628 CO 0.01 -0.42 0.25 -0.47 -0.05 0.00 0.00 175.22 174.53 1xsj s TYR 629 N -1.28 3.62 -0.20 3.49 5.04 -1.26 -0.99 117.35 125.77 1xsj s TYR 629 Ca -0.13 0.69 -0.01 0.00 -2.44 0.00 0.00 57.07 55.18 1xsj s TYR 629 Cb -0.04 -2.11 0.01 0.00 0.35 0.00 0.00 41.96 40.17 1xsj s TYR 629 CO 0.05 0.64 -0.13 -0.51 -1.34 0.00 0.00 175.55 174.26 1xsj s LEU 630 N -0.84 2.54 1.03 6.97 1.02 -0.75 -5.00 118.68 123.64 1xsj s LEU 630 Ca 0.18 -0.63 -0.13 0.00 0.02 0.00 0.00 54.13 53.56 1xsj s LEU 630 Cb -0.14 -1.58 0.13 0.00 0.02 0.00 0.00 46.19 44.63 1xsj s LEU 630 CO 0.07 -0.03 0.63 -2.65 0.02 0.00 0.00 176.35 174.39 1xsj n PRO 631 N 4.67 -1.09 -1.52 1.29 -0.02 -1.26 0.34 135.00 137.42 1xsj n PRO 631 Ca -0.19 -0.28 -0.57 0.00 -2.02 0.00 0.00 63.50 60.44 1xsj n PRO 631 Cb 0.50 -2.02 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 1xsj n PRO 631 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xsj n GLU 632 N -3.10 0.27 0.00 -0.52 2.13 -1.26 -2.25 120.64 115.91 1xsj n GLU 632 Ca 0.06 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1xsj n GLU 632 Cb 0.55 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.66 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 1.75 0.98 3.31 8.31 0.00 -1.26 -4.80 105.19 113.47 1xsj n GLY 633 Ca 0.19 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.06 2.96 0.12 1.61 3.52 -1.26 -0.07 118.95 124.78 1xsj s ARG 634 Ca 0.00 -0.94 0.03 0.00 -0.13 0.00 0.00 55.73 54.70 1xsj s ARG 634 Cb 0.00 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1xsj s ARG 634 CO 0.00 -0.48 0.15 -1.58 -0.81 0.00 0.00 175.30 172.58 1xsj s TRP 635 N 1.45 3.26 -0.05 5.12 0.52 0.54 -3.05 118.94 126.73 1xsj s TRP 635 Ca 0.01 0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.22 1xsj s TRP 635 Cb -0.18 -1.60 0.02 0.00 -1.15 0.00 0.00 33.47 30.56 1xsj s TRP 635 CO 0.01 0.53 -0.08 0.99 0.02 0.00 0.00 176.95 178.42 1xsj s THR 636 N -1.60 0.77 0.03 2.01 2.01 -0.47 0.18 115.64 118.56 1xsj s THR 636 Ca 0.31 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1xsj s THR 636 Cb -0.11 -0.73 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 1xsj s THR 636 CO 0.24 0.27 1.69 -2.28 -0.69 0.00 0.00 174.62 173.85 1xsj s HIS 637 N 0.71 2.16 0.32 4.92 2.46 0.36 0.05 115.29 126.26 1xsj s HIS 637 Ca -0.11 0.18 0.09 0.00 0.47 0.00 0.00 55.06 55.69 1xsj s HIS 637 Cb -0.14 -3.99 0.94 0.00 -0.13 0.00 0.00 32.58 29.26 1xsj s HIS 637 CO 0.01 -4.09 1.61 1.25 -2.47 0.00 0.00 174.74 171.06 1xsj h LEU 638 N 9.27 0.00 0.00 8.88 5.85 -0.83 -0.62 115.31 137.86 1xsj h LEU 638 Ca -0.43 0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1xsj h LEU 638 Cb 1.20 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.55 1xsj h LEU 638 CO 0.94 -0.29 -1.03 -2.67 -0.34 0.00 0.00 178.44 175.05 1xsj n TRP 639 N -5.29 0.00 0.24 1.25 2.14 -1.26 -4.70 117.44 109.81 1xsj n TRP 639 Ca 0.28 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.98 1xsj n TRP 639 Cb 0.91 -0.02 0.43 0.00 -0.81 0.00 0.00 31.31 31.82 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 -1.92 -3.47 115.15 110.94 1xsj h HIS 640 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1xsj h HIS 640 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1xsj h HIS 640 CO 0.00 0.06 0.00 -1.71 0.86 0.00 0.00 177.93 177.14 1xsj n ASN 641 N -3.15 -2.27 -4.79 2.45 5.15 -0.25 -4.94 115.26 107.47 1xsj n ASN 641 Ca 0.02 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.65 1xsj n ASN 641 Cb 0.43 -2.09 -0.03 0.00 -0.53 0.00 0.00 39.78 37.56 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 -2.17 6.32 0.02 1.20 -4.77 -1.26 -4.65 116.67 111.36 1xsj s ASP 642 Ca 0.00 1.99 0.06 0.00 -3.30 0.00 0.00 52.55 51.30 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 -0.80 -0.16 -1.61 0.70 0.00 0.00 175.17 173.30 1xsj s GLU 643 N -3.12 2.21 0.01 2.11 2.02 -1.26 -0.49 118.70 120.20 1xsj s GLU 643 Ca 0.66 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.78 1xsj s GLU 643 Cb -0.18 -2.26 -0.01 0.00 0.10 0.00 0.00 34.13 31.77 1xsj s GLU 643 CO 0.22 0.56 -0.06 -0.51 0.02 0.00 0.00 175.26 175.50 1xsj s LEU 644 N -1.29 2.11 0.11 1.80 1.43 0.13 -4.96 118.68 118.01 1xsj s LEU 644 Ca 0.14 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 1xsj s LEU 644 Cb -0.11 -0.19 -0.07 0.00 0.03 0.00 0.00 46.19 45.86 1xsj s LEU 644 CO 0.05 -0.06 0.69 -1.81 0.23 0.00 0.00 176.35 175.45 1xsj s ASP 645 N -0.71 7.23 0.25 2.29 1.01 -1.26 -0.34 116.67 125.14 1xsj s ASP 645 Ca -0.03 1.46 0.00 0.00 0.71 0.00 0.00 52.55 54.69 1xsj s ASP 645 Cb -0.05 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1xsj s ASP 645 CO -0.00 0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.20 1xsj n GLY 646 N 1.75 1.11 2.22 0.21 0.00 0.90 -4.63 105.19 106.76 1xsj n GLY 646 Ca -0.07 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 1xsj n GLY 646 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xsj n SER 647 N -2.71 -3.69 -3.76 1.61 2.88 1.04 -4.64 113.62 104.36 1xsj n SER 647 Ca 0.00 0.01 -0.05 0.00 -1.33 0.00 0.00 58.87 57.50 1xsj n SER 647 Cb 0.00 -2.87 -0.02 0.00 -0.75 0.00 0.00 64.21 60.58 1xsj n SER 647 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsj s ARG 648 N -4.45 1.33 0.46 -1.46 1.70 -0.83 -4.91 118.95 110.79 1xsj s ARG 648 Ca 0.00 -0.72 -0.10 0.00 -0.47 0.00 0.00 55.73 54.44 1xsj s ARG 648 Cb 0.00 0.46 -0.06 0.00 -0.57 0.00 0.00 34.95 34.78 1xsj s ARG 648 CO 0.00 -0.61 0.84 -1.58 -1.08 0.00 0.00 175.30 172.87 1xsj s TRP 649 N -3.44 3.51 0.02 5.89 0.52 -1.26 -1.81 118.94 122.37 1xsj s TRP 649 Ca 0.11 1.09 -0.00 0.00 0.02 0.00 0.00 56.10 57.32 1xsj s TRP 649 Cb -0.02 -2.50 -0.02 0.00 -1.15 0.00 0.00 33.47 29.78 1xsj s TRP 649 CO 0.03 -0.25 -0.03 -1.01 0.02 0.00 0.00 176.95 175.70 1xsj s HIS 650 N -2.58 0.31 -0.04 -1.98 3.76 -0.16 -4.96 115.29 109.63 1xsj s HIS 650 Ca 0.52 -0.60 0.05 0.00 -0.15 0.00 0.00 55.06 54.88 1xsj s HIS 650 Cb -0.10 -0.22 -0.01 0.00 1.11 0.00 0.00 32.58 33.36 1xsj s HIS 650 CO 0.37 -0.21 -0.19 0.21 -0.85 0.00 0.00 174.74 174.07 1xsj s LYS 651 N -1.79 1.89 0.15 1.40 2.20 -1.26 -1.54 119.74 120.79 1xsj s LYS 651 Ca -0.13 -0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 54.77 1xsj s LYS 651 Cb -0.08 -1.65 -0.03 0.00 -1.51 0.00 0.00 37.83 34.56 1xsj s LYS 651 CO -0.02 0.29 0.15 -0.65 -0.36 0.00 0.00 175.35 174.76 1xsj s GLN 652 N -0.06 1.05 -0.08 4.03 -0.21 -0.62 -5.01 119.66 118.76 1xsj s GLN 652 Ca -0.02 -1.37 0.02 0.00 0.02 0.00 0.00 55.36 54.00 1xsj s GLN 652 Cb -0.11 0.30 0.01 0.00 1.00 0.00 0.00 33.01 34.21 1xsj s GLN 652 CO 0.02 -0.34 -0.12 -1.14 -2.12 0.00 0.00 175.29 171.59 1xsj s GLN 653 N -4.03 1.80 0.03 2.91 0.74 -1.26 -1.62 119.66 118.23 1xsj s GLN 653 Ca 0.24 -0.43 0.07 0.00 0.05 0.00 0.00 55.36 55.29 1xsj s GLN 653 Cb 0.06 -1.54 -0.02 0.00 1.10 0.00 0.00 33.01 32.60 1xsj s GLN 653 CO 0.03 -0.03 -0.21 -1.01 -0.55 0.00 0.00 175.29 173.52 1xsj s HIS 654 N 0.87 1.83 0.96 1.67 3.76 -0.14 -4.94 115.29 119.30 1xsj s HIS 654 Ca -0.10 -0.37 -0.16 0.00 -0.15 0.00 0.00 55.06 54.28 1xsj s HIS 654 Cb -0.15 -1.10 0.19 0.00 1.11 0.00 0.00 32.58 32.62 1xsj s HIS 654 CO 0.01 0.07 1.27 0.20 -0.85 0.00 0.00 174.74 175.45 1xsj s GLY 655 N -1.08 1.73 0.09 -2.22 0.00 -1.26 -4.20 107.32 100.38 1xsj s GLY 655 Ca 0.08 -1.07 0.18 0.00 0.00 0.00 0.00 44.72 43.90 1xsj s GLY 655 CO 0.01 -0.33 1.55 0.69 0.00 0.00 0.00 173.10 175.02 1xsj n PHE 656 N -3.81 0.28 -0.30 1.90 3.72 -1.26 -1.55 117.46 116.43 1xsj n PHE 656 Ca 0.14 0.11 0.09 0.00 -0.05 0.00 0.00 57.45 57.74 1xsj n PHE 656 Cb 0.60 -0.68 0.32 0.00 -0.94 0.00 0.00 39.48 38.78 1xsj n PHE 656 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xsj n LEU 657 N -1.75 4.10 -4.02 4.37 4.32 -1.26 -4.85 117.00 117.90 1xsj n LEU 657 Ca 0.03 -2.06 -0.09 0.00 -0.02 0.00 0.00 56.01 53.87 1xsj n LEU 657 Cb 0.19 -0.51 -0.08 0.00 -1.62 0.00 0.00 43.42 41.39 1xsj n LEU 657 CO 0.16 0.80 -0.16 -0.55 -1.22 0.00 0.00 177.39 176.42 1xsj s SER 658 N -0.91 0.20 -0.22 -1.43 0.15 -0.59 -5.05 113.70 105.84 1xsj s SER 658 Ca 0.46 -0.97 -0.34 0.00 0.70 0.00 0.00 55.95 55.80 1xsj s SER 658 Cb 0.28 0.35 0.15 0.00 -1.71 0.00 0.00 66.02 65.08 1xsj s SER 658 CO 0.26 -0.78 1.25 -1.48 1.20 0.00 0.00 173.24 173.69 1xsj s LEU 659 N -2.97 -0.11 0.01 3.45 2.34 -1.26 -4.64 118.68 115.50 1xsj s LEU 659 Ca 0.16 0.04 -0.30 0.00 0.06 0.00 0.00 54.13 54.09 1xsj s LEU 659 Cb 0.05 1.30 -0.08 0.00 -0.56 0.00 0.00 46.19 46.90 1xsj s LEU 659 CO -0.02 -0.16 1.93 -2.84 -1.06 0.00 0.00 176.35 174.19 1xsj s PRO 660 N -1.98 4.11 -0.34 1.48 0.02 -1.25 -4.95 135.00 132.09 1xsj s PRO 660 Ca 0.09 2.53 -0.01 0.00 0.02 0.00 0.00 61.00 63.63 1xsj s PRO 660 Cb -0.01 -4.15 0.13 0.00 0.02 0.00 0.00 34.50 30.49 1xsj s PRO 660 CO -0.04 -0.98 0.19 0.08 -0.33 0.00 0.00 177.00 175.91 1xsj s VAL 661 N 4.54 0.29 -0.12 3.83 1.01 -1.25 -1.41 120.40 127.29 1xsj s VAL 661 Ca 0.87 -1.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1xsj s VAL 661 Cb -0.41 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1xsj s VAL 661 CO 0.40 -0.90 -0.04 -0.31 0.00 0.00 0.00 175.10 174.25 1xsj s TYR 662 N 1.27 3.03 -0.21 5.22 2.02 -0.41 -0.07 117.35 128.20 1xsj s TYR 662 Ca 0.15 -0.12 -0.09 0.00 -0.37 0.00 0.00 57.07 56.65 1xsj s TYR 662 Cb -0.21 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1xsj s TYR 662 CO -0.10 0.16 0.10 0.08 -1.57 0.00 0.00 175.55 174.22 1xsj s VAL 663 N -0.18 4.96 0.66 0.71 1.01 0.11 -0.38 120.40 127.29 1xsj s VAL 663 Ca 0.03 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 1xsj s VAL 663 Cb -0.13 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1xsj s VAL 663 CO 0.02 0.41 0.49 -1.14 0.00 0.00 0.00 175.10 174.88 1xsj n ARG 664 N 3.96 0.37 -1.17 2.72 0.63 -0.03 -1.37 116.66 121.78 1xsj n ARG 664 Ca -0.16 0.16 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 1xsj n ARG 664 Cb 0.52 -1.75 0.20 0.00 0.45 0.00 0.00 32.46 31.88 1xsj n ARG 664 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1xsj s ASP 665 N -1.33 2.02 -1.58 6.15 3.84 -1.17 -4.01 116.67 120.58 1xsj s ASP 665 Ca 0.66 0.95 -0.14 0.00 -0.00 0.00 0.00 52.55 54.02 1xsj s ASP 665 Cb -0.39 -1.46 0.10 0.00 -1.38 0.00 0.00 42.92 39.80 1xsj s ASP 665 CO 0.57 -3.48 0.85 0.59 -0.00 0.00 0.00 175.17 173.70 1xsj n ASN 666 N -4.37 -3.66 -4.37 2.11 3.02 -0.37 -4.96 115.26 102.65 1xsj n ASN 666 Ca 0.08 -0.89 -0.32 0.00 -0.03 0.00 0.00 54.58 53.42 1xsj n ASN 666 Cb 0.58 -3.38 -0.15 0.00 -0.61 0.00 0.00 39.78 36.22 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 -3.37 2.48 -0.22 3.41 2.01 -1.12 -4.58 115.64 114.25 1xsj s THR 667 Ca 0.61 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1xsj s THR 667 Cb -0.32 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.32 1xsj s THR 667 CO 0.87 0.58 -0.11 -0.22 -0.69 0.00 0.00 174.62 175.05 1xsj s LEU 668 N -0.55 2.62 -0.11 4.42 2.96 -1.26 -1.19 118.68 125.58 1xsj s LEU 668 Ca 0.08 -1.04 0.01 0.00 -0.22 0.00 0.00 54.13 52.96 1xsj s LEU 668 Cb -0.11 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 1xsj s LEU 668 CO 0.01 -0.15 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.53 1xsj s LEU 669 N 1.30 2.71 -0.33 -0.68 2.96 -0.56 -4.28 118.68 119.79 1xsj s LEU 669 Ca -0.03 -0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 1xsj s LEU 669 Cb -0.17 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1xsj s LEU 669 CO -0.08 0.21 0.22 0.00 -1.32 0.00 0.00 176.35 175.38 1xsj s ALA 670 N 0.07 3.43 -0.11 5.97 0.00 -1.26 -0.99 121.76 128.87 1xsj s ALA 670 Ca -0.05 -1.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.45 1xsj s ALA 670 Cb -0.15 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 1xsj s ALA 670 CO 0.04 -0.97 0.11 -0.51 0.00 0.00 0.00 175.76 174.43 1xsj s LEU 671 N 1.69 4.21 0.54 0.00 1.02 -0.07 -2.76 118.68 123.31 1xsj s LEU 671 Ca 0.06 0.39 0.02 0.00 0.02 0.00 0.00 54.13 54.62 1xsj s LEU 671 Cb -0.17 -2.04 0.04 0.00 0.02 0.00 0.00 46.19 44.04 1xsj s LEU 671 CO 0.09 0.40 0.76 -0.83 0.02 0.00 0.00 176.35 176.78 1xsj s GLY 672 N -1.04 1.84 0.00 -3.19 0.00 0.43 -0.61 107.32 104.76 1xsj s GLY 672 Ca 0.15 -1.42 0.22 0.00 0.00 0.00 0.00 44.72 43.67 1xsj s GLY 672 CO 0.04 -1.13 1.39 1.16 0.00 0.00 0.00 173.10 174.56 1xsj n ASN 673 N -2.29 3.45 -4.31 1.64 6.94 -1.26 -4.77 115.26 114.66 1xsj n ASN 673 Ca 0.09 -1.97 -0.32 0.00 -0.02 0.00 0.00 54.58 52.35 1xsj n ASN 673 Cb 0.60 -0.27 -0.16 0.00 -2.36 0.00 0.00 39.78 37.59 1xsj n ASN 673 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xsj s ASN 674 N -1.37 3.57 -0.14 0.53 3.84 -1.26 -5.01 114.94 115.09 1xsj s ASN 674 Ca 0.38 -0.43 0.16 0.00 0.21 0.00 0.00 52.86 53.18 1xsj s ASN 674 Cb 0.22 -1.44 0.31 0.00 -0.55 0.00 0.00 41.25 39.79 1xsj s ASN 674 CO 0.30 0.18 1.16 -0.90 -2.79 0.00 0.00 177.10 175.05 1xsj n ASP 675 N 3.43 2.02 -0.00 -4.21 5.75 -1.26 -3.42 116.55 118.85 1xsj n ASP 675 Ca -0.18 -3.24 0.01 0.00 -0.01 0.00 0.00 54.79 51.37 1xsj n ASP 675 Cb 0.53 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 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 -1.23 0.15 -3.66 0.11 1.13 -1.26 -4.32 117.38 108.29 1xsj n GLN 676 Ca 0.16 -0.03 -0.15 0.00 -1.94 0.00 0.00 57.00 55.04 1xsj n GLN 676 Cb 0.67 -1.07 -0.08 0.00 0.11 0.00 0.00 30.24 29.87 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 -2.21 0.83 0.29 -1.09 1.70 -1.26 -4.68 118.95 112.52 1xsj s ARG 677 Ca -0.01 -0.01 0.22 0.00 -0.47 0.00 0.00 55.73 55.45 1xsj s ARG 677 Cb 0.02 0.38 0.12 0.00 -0.57 0.00 0.00 34.95 34.90 1xsj s ARG 677 CO 0.13 -0.24 1.27 -1.00 -1.08 0.00 0.00 175.30 174.37 1xsj h PRO 678 N 3.51 0.00 -4.24 3.89 0.13 -1.87 -3.44 132.00 129.98 1xsj h PRO 678 Ca -0.29 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.11 1xsj h PRO 678 Cb 1.16 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 1xsj h PRO 678 CO 0.40 0.07 -0.34 0.16 -0.23 0.00 0.00 178.00 178.05 1xsj s ASP 679 N -5.81 5.84 0.26 1.44 -4.77 -1.26 -4.88 116.67 107.49 1xsj s ASP 679 Ca 0.02 -1.87 -0.15 0.00 -3.30 0.00 0.00 52.55 47.26 1xsj s ASP 679 Cb 0.08 -2.07 0.00 0.00 -1.09 0.00 0.00 42.92 39.84 1xsj s ASP 679 CO 0.74 -0.74 0.54 -0.72 0.70 0.00 0.00 175.17 175.70 1xsj s TYR 680 N 1.43 0.23 -0.95 2.11 1.13 -1.26 -5.03 117.35 115.01 1xsj s TYR 680 Ca 0.05 -0.62 -0.25 0.00 -1.41 0.00 0.00 57.07 54.84 1xsj s TYR 680 Cb -0.27 0.32 -0.10 0.00 -1.10 0.00 0.00 41.96 40.81 1xsj s TYR 680 CO 0.00 -1.06 2.07 0.08 -2.51 0.00 0.00 175.55 174.13 1xsj s VAL 681 N -3.96 3.32 0.47 -3.49 1.01 -1.26 -4.77 120.40 111.72 1xsj s VAL 681 Ca 0.20 -0.36 0.16 0.00 0.00 0.00 0.00 61.98 61.98 1xsj s VAL 681 Cb -0.02 -3.89 0.22 0.00 0.00 0.00 0.00 36.38 32.70 1xsj s VAL 681 CO 0.09 -0.64 2.06 -0.50 0.00 0.00 0.00 175.10 176.11 1xsj h TRP 682 N 11.34 0.00 -0.01 5.22 6.55 -1.97 -2.36 115.95 134.72 1xsj h TRP 682 Ca 0.09 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.93 1xsj h TRP 682 Cb 0.99 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.29 1xsj h TRP 682 CO 1.18 0.12 0.00 -2.39 -1.05 0.00 0.00 178.44 176.30 1xsj n HIS 683 N -4.34 0.00 -3.90 0.49 1.44 -1.26 -4.28 115.22 103.37 1xsj n HIS 683 Ca -0.03 -0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.33 1xsj n HIS 683 Cb 0.19 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.16 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 -2.00 2.96 0.00 -1.40 2.02 -0.89 -2.04 118.70 117.35 1xsj s GLU 684 Ca 0.44 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1xsj s GLU 684 Cb 0.21 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.35 1xsj s GLU 684 CO 0.35 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1xsj n GLY 685 N 4.73 0.65 3.77 -1.39 0.00 -0.12 -4.70 105.19 108.13 1xsj n GLY 685 Ca -0.16 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1xsj n GLY 685 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsj s THR 686 N -2.00 2.02 -0.28 2.61 2.01 -1.26 -4.29 115.64 114.45 1xsj s THR 686 Ca 0.00 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 1xsj s THR 686 Cb 0.00 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.51 1xsj s THR 686 CO 0.00 0.00 0.04 0.00 -0.69 0.00 0.00 174.62 173.98 1xsj s ALA 687 N -0.85 2.99 0.02 7.40 0.00 0.22 -1.17 121.76 130.38 1xsj s ALA 687 Ca 0.56 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1xsj s ALA 687 Cb -0.47 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 1xsj s ALA 687 CO 0.60 -0.83 0.36 -0.06 0.00 0.00 0.00 175.76 175.83 1xsj s PHE 688 N 1.48 3.64 -0.12 0.00 0.08 0.64 -0.89 117.98 122.80 1xsj s PHE 688 Ca 0.03 0.81 -0.01 0.00 0.12 0.00 0.00 56.93 57.88 1xsj s PHE 688 Cb -0.17 -2.16 0.03 0.00 -0.57 0.00 0.00 43.02 40.15 1xsj s PHE 688 CO 0.01 0.60 -0.06 -1.01 -0.10 0.00 0.00 175.22 174.65 1xsj s HIS 689 N -1.24 1.43 -0.19 0.36 3.76 -0.16 0.62 115.29 119.86 1xsj s HIS 689 Ca 0.27 -0.74 -0.11 0.00 -0.15 0.00 0.00 55.06 54.33 1xsj s HIS 689 Cb -0.15 -1.20 -0.05 0.00 1.11 0.00 0.00 32.58 32.30 1xsj s HIS 689 CO 0.15 -0.51 0.17 -1.17 -0.85 0.00 0.00 174.74 172.53 1xsj s LEU 690 N 1.73 4.22 -0.17 0.89 2.96 -0.52 -1.50 118.68 126.29 1xsj s LEU 690 Ca 0.04 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1xsj s LEU 690 Cb -0.13 -2.16 0.02 0.00 0.50 0.00 0.00 46.19 44.42 1xsj s LEU 690 CO -0.08 0.16 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.56 1xsj s PHE 691 N 0.40 2.62 -1.26 5.38 0.08 -0.33 -2.13 117.98 122.73 1xsj s PHE 691 Ca 0.10 -1.51 -0.26 0.00 0.12 0.00 0.00 56.93 55.38 1xsj s PHE 691 Cb -0.11 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1xsj s PHE 691 CO -0.01 -0.75 0.60 0.09 -0.10 0.00 0.00 175.22 175.05 1xsj n ASN 692 N 4.59 -3.47 -4.64 1.36 4.13 -1.26 -1.24 115.26 114.74 1xsj n ASN 692 Ca -0.20 -1.24 -0.43 0.00 1.68 0.00 0.00 54.58 54.40 1xsj n ASN 692 Cb 0.50 -2.03 -0.02 0.00 -1.54 0.00 0.00 39.78 36.69 1xsj n ASN 692 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xsj s LEU 693 N -7.27 3.95 0.53 3.41 2.96 -1.26 -1.65 118.68 119.35 1xsj s LEU 693 Ca 0.40 1.37 -0.08 0.00 -0.22 0.00 0.00 54.13 55.60 1xsj s LEU 693 Cb -0.21 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1xsj s LEU 693 CO 0.95 -1.03 0.88 -1.10 -1.32 0.00 0.00 176.35 174.74 1xsj s GLN 694 N 4.07 3.59 0.14 1.98 -0.21 -1.26 -4.98 119.66 122.99 1xsj s GLN 694 Ca 0.58 0.44 -0.31 0.00 0.02 0.00 0.00 55.36 56.09 1xsj s GLN 694 Cb -0.19 -2.26 -0.10 0.00 1.00 0.00 0.00 33.01 31.46 1xsj s GLN 694 CO 0.22 -0.33 1.72 0.34 -2.12 0.00 0.00 175.29 175.11 1xsj s ASP 695 N -4.04 6.48 0.00 5.90 2.15 -1.26 -2.24 116.67 123.65 1xsj s ASP 695 Ca 0.51 2.71 0.00 0.00 0.43 0.00 0.00 52.55 56.19 1xsj s ASP 695 Cb -0.11 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1xsj s ASP 695 CO 0.47 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 1xsj n GLY 696 N 4.03 0.66 3.94 2.66 0.00 -0.47 -5.04 105.19 110.97 1xsj n GLY 696 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1xsj n GLY 696 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsj s HIS 697 N -2.33 3.31 -0.09 1.61 3.76 -0.95 -4.94 115.29 115.66 1xsj s HIS 697 Ca 0.00 -0.08 0.03 0.00 -0.15 0.00 0.00 55.06 54.86 1xsj s HIS 697 Cb 0.00 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.08 1xsj s HIS 697 CO 0.00 0.37 -0.20 -2.00 -0.85 0.00 0.00 174.74 172.06 1xsj s GLU 698 N -3.99 2.59 -0.18 1.40 2.12 -1.26 -2.30 118.70 117.08 1xsj s GLU 698 Ca 0.36 -0.72 -0.04 0.00 0.36 0.00 0.00 54.97 54.93 1xsj s GLU 698 Cb -0.09 -2.00 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 1xsj s GLU 698 CO 0.28 0.13 -0.03 0.00 -0.54 0.00 0.00 175.26 175.11 1xsj s ALA 699 N 0.46 2.97 -0.04 6.30 0.00 0.90 -4.96 121.76 127.39 1xsj s ALA 699 Ca -0.17 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1xsj s ALA 699 Cb -0.17 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 1xsj s ALA 699 CO 0.07 -0.03 -0.19 0.08 0.00 0.00 0.00 175.76 175.69 1xsj s VAL 700 N 0.80 2.62 -0.05 0.00 1.01 -1.26 -0.41 120.40 123.10 1xsj s VAL 700 Ca -0.01 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1xsj s VAL 700 Cb -0.14 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1xsj s VAL 700 CO 0.02 0.58 -0.11 0.00 0.00 0.00 0.00 175.10 175.59 1xsj s GLU 702 N 0.59 2.77 -0.14 0.00 2.02 -1.26 -0.68 118.70 121.99 1xsj s GLU 702 Ca -0.12 -1.00 -0.23 0.00 0.02 0.00 0.00 54.97 53.64 1xsj s GLU 702 Cb -0.14 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 1xsj s GLU 702 CO 0.03 -0.37 0.72 0.08 0.02 0.00 0.00 175.26 175.74 1xsj s VAL 703 N 1.27 4.98 0.32 2.63 1.01 0.54 -4.83 120.40 126.32 1xsj s VAL 703 Ca -0.00 1.43 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 1xsj s VAL 703 Cb -0.16 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 1xsj s VAL 703 CO -0.07 0.13 0.73 -2.16 0.00 0.00 0.00 175.10 173.73 1xsj s PRO 704 N 1.58 4.00 0.95 2.72 0.04 -1.26 -0.23 135.00 142.80 1xsj s PRO 704 Ca 0.35 0.66 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 1xsj s PRO 704 Cb -0.17 -2.44 0.20 0.00 0.04 0.00 0.00 34.50 32.13 1xsj s PRO 704 CO 0.14 0.16 1.31 0.00 0.04 0.00 0.00 177.00 178.65 1xsj s ALA 705 N -1.97 2.33 0.50 8.56 0.00 0.50 -4.68 121.76 127.00 1xsj s ALA 705 Ca 0.54 -1.28 0.30 0.00 0.00 0.00 0.00 51.96 51.53 1xsj s ALA 705 Cb -0.10 -2.71 1.71 0.00 0.00 0.00 0.00 23.12 22.02 1xsj s ALA 705 CO 0.18 -2.41 2.18 0.00 0.00 0.00 0.00 175.76 175.71 1xsj h ALA 706 N -1.59 1.34 -0.01 0.00 0.00 -1.95 -1.52 119.26 115.52 1xsj h ALA 706 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xsj h ALA 706 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xsj h ALA 706 CO 0.37 0.07 -0.02 -0.40 0.00 0.00 0.00 179.25 179.27 1xsj n ASP 707 N -3.65 1.52 0.00 0.00 5.75 -1.26 -4.79 116.55 114.11 1xsj n ASP 707 Ca -0.02 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 1xsj n ASP 707 Cb 0.16 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1xsj n ASP 707 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsj n GLY 708 N 1.19 1.64 3.74 6.12 0.00 -0.57 -5.06 105.19 112.24 1xsj n GLY 708 Ca 0.18 0.00 -0.33 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 -2.04 4.41 -0.17 1.61 1.04 -1.26 -4.69 113.70 112.60 1xsj s SER 709 Ca 0.00 2.18 -0.29 0.00 0.48 0.00 0.00 55.95 58.32 1xsj s SER 709 Cb 0.00 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 1xsj s SER 709 CO 0.00 -2.11 0.99 -0.69 0.98 0.00 0.00 173.24 172.41 1xsj s VAL 710 N -2.24 4.76 -0.11 5.02 1.01 -1.26 -0.37 120.40 127.21 1xsj s VAL 710 Ca 0.70 1.96 0.21 0.00 0.00 0.00 0.00 61.98 64.85 1xsj s VAL 710 Cb -0.25 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.61 1xsj s VAL 710 CO 0.46 -0.07 0.51 0.00 0.00 0.00 0.00 175.10 176.01 1xsj n ILE 711 N 4.90 0.54 -3.68 2.22 3.06 0.68 -4.84 119.36 122.24 1xsj n ILE 711 Ca 0.09 -0.61 -0.13 0.00 -2.50 0.00 0.00 62.75 59.60 1xsj n ILE 711 Cb 0.48 -0.24 -0.09 0.00 0.54 0.00 0.00 39.64 40.33 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 -3.20 -0.63 -0.07 9.51 5.36 -1.10 -1.62 117.98 126.24 1xsj s PHE 712 Ca -0.07 1.51 0.03 0.00 -0.96 0.00 0.00 56.93 57.44 1xsj s PHE 712 Cb 0.11 0.22 0.01 0.00 -0.34 0.00 0.00 43.02 43.02 1xsj s PHE 712 CO 0.86 -0.30 -0.15 0.99 -1.46 0.00 0.00 175.22 175.16 1xsj s THR 713 N 0.35 1.35 -0.03 0.12 2.01 -0.29 -0.34 115.64 118.81 1xsj s THR 713 Ca -0.00 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1xsj s THR 713 Cb -0.04 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 1xsj s THR 713 CO -0.00 0.40 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.88 1xsj s LEU 714 N 0.54 2.03 -0.07 4.42 1.98 0.14 -1.64 118.68 126.08 1xsj s LEU 714 Ca -0.15 -0.43 0.02 0.00 -2.89 0.00 0.00 54.13 50.68 1xsj s LEU 714 Cb -0.16 -1.21 0.02 0.00 0.66 0.00 0.00 46.19 45.50 1xsj s LEU 714 CO 0.05 0.26 -0.11 -0.54 -1.89 0.00 0.00 176.35 174.12 1xsj s LYS 715 N -0.37 1.60 -0.21 1.98 1.02 -0.58 -0.47 119.74 122.71 1xsj s LYS 715 Ca 0.04 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.67 1xsj s LYS 715 Cb -0.11 -1.39 0.03 0.00 -0.52 0.00 0.00 37.83 35.84 1xsj s LYS 715 CO 0.01 -0.03 -0.14 0.00 -0.92 0.00 0.00 175.35 174.27 1xsj s ALA 716 N 0.85 2.50 -0.14 5.17 0.00 0.45 -1.49 121.76 129.10 1xsj s ALA 716 Ca -0.11 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1xsj s ALA 716 Cb -0.15 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1xsj s ALA 716 CO 0.01 -0.61 -0.22 0.00 0.00 0.00 0.00 175.76 174.95 1xsj s ALA 717 N 1.28 2.27 -0.26 0.00 0.00 -0.78 -0.07 121.76 124.20 1xsj s ALA 717 Ca 0.02 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 1xsj s ALA 717 Cb -0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1xsj s ALA 717 CO -0.09 -0.05 0.14 0.50 0.00 0.00 0.00 175.76 176.27 1xsj s ARG 718 N 0.84 3.88 -0.00 0.00 3.52 -0.97 0.50 118.95 126.73 1xsj s ARG 718 Ca -0.06 -0.36 0.06 0.00 -0.13 0.00 0.00 55.73 55.24 1xsj s ARG 718 Cb -0.15 -3.52 -0.07 0.00 -1.56 0.00 0.00 34.95 29.64 1xsj s ARG 718 CO -0.03 -0.12 0.23 -2.37 -0.81 0.00 0.00 175.30 172.20 1xsj n THR 719 N 4.83 0.00 0.00 4.11 5.66 -0.21 -1.37 114.28 127.31 1xsj n THR 719 Ca -0.15 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 1xsj n THR 719 Cb 0.52 0.88 0.00 0.00 -1.55 0.00 0.00 70.33 70.18 1xsj n THR 719 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsj n GLY 720 N 1.32 -1.96 0.00 1.09 0.00 -1.26 -4.83 105.19 99.55 1xsj n GLY 720 Ca 0.01 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1xsj n GLY 720 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsj n ASN 721 N -0.98 1.11 -4.65 1.61 4.13 -1.26 -4.83 115.26 110.39 1xsj n ASN 721 Ca 0.00 -1.39 -0.39 0.00 1.68 0.00 0.00 54.58 54.47 1xsj n ASN 721 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 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 -0.39 5.10 -0.21 3.41 2.01 -1.26 -0.96 115.64 123.34 1xsj s THR 722 Ca 0.00 0.92 -0.05 0.00 0.31 0.00 0.00 61.69 62.87 1xsj s THR 722 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1xsj s THR 722 CO 0.00 0.15 -0.02 0.27 -0.69 0.00 0.00 174.62 174.33 1xsj s ILE 723 N 1.85 3.74 -0.35 1.82 -4.36 0.82 -1.04 121.20 123.69 1xsj s ILE 723 Ca 0.23 -0.38 -0.14 0.00 -0.26 0.00 0.00 60.65 60.10 1xsj s ILE 723 Cb -0.15 -2.69 -0.01 0.00 1.25 0.00 0.00 42.46 40.85 1xsj s ILE 723 CO 0.09 0.42 0.29 -0.89 0.24 0.00 0.00 174.94 175.10 1xsj s THR 724 N 1.17 5.24 -0.26 8.37 2.01 0.18 -1.31 115.64 131.05 1xsj s THR 724 Ca 0.03 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.77 1xsj s THR 724 Cb -0.14 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1xsj s THR 724 CO 0.01 -0.06 0.15 -0.69 -0.69 0.00 0.00 174.62 173.33 1xsj s VAL 725 N 1.83 5.08 -0.10 3.82 1.01 -1.01 -1.87 120.40 129.16 1xsj s VAL 725 Ca 0.08 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1xsj s VAL 725 Cb -0.17 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1xsj s VAL 725 CO 0.11 0.30 -0.11 0.42 0.00 0.00 0.00 175.10 175.83 1xsj s THR 726 N 1.48 1.15 0.34 3.92 -4.23 -0.56 -2.69 115.64 115.06 1xsj s THR 726 Ca 0.07 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.22 1xsj s THR 726 Cb -0.15 -1.10 -0.01 0.00 1.34 0.00 0.00 72.50 72.58 1xsj s THR 726 CO 0.07 0.38 0.47 -0.83 -0.54 0.00 0.00 174.62 174.17 1xsj s GLY 727 N 1.19 1.62 -0.27 3.99 0.00 -1.21 -1.53 107.32 111.10 1xsj s GLY 727 Ca -0.04 -1.47 -0.25 0.00 0.00 0.00 0.00 44.72 42.96 1xsj s GLY 727 CO -0.03 -1.39 0.81 0.00 0.00 0.00 0.00 173.10 172.50 1xsj s ALA 728 N -2.19 -1.84 0.00 3.20 0.00 -0.65 -4.99 121.76 115.29 1xsj s ALA 728 Ca 0.45 2.01 0.00 0.00 0.00 0.00 0.00 51.96 54.42 1xsj s ALA 728 Cb -0.09 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1xsj s ALA 728 CO 0.31 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1xsj n GLY 729 N 2.63 -1.50 3.41 0.00 0.00 -1.26 -1.14 105.19 107.33 1xsj n GLY 729 Ca -0.14 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 1xsj n GLY 729 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsj s GLU 730 N 0.00 3.55 -0.06 1.61 2.12 -0.64 -4.95 118.70 120.33 1xsj s GLU 730 Ca 0.00 -0.54 -0.19 0.00 0.36 0.00 0.00 54.97 54.60 1xsj s GLU 730 Cb 0.00 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.17 1xsj s GLU 730 CO 0.00 -0.21 0.44 0.00 -0.54 0.00 0.00 175.26 174.95 1xsj s ALA 731 N 1.58 -1.12 0.08 6.30 0.00 -1.26 -4.42 121.76 122.92 1xsj s ALA 731 Ca 0.06 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.89 1xsj s ALA 731 Cb -0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1xsj s ALA 731 CO 0.02 -0.28 -0.16 0.15 0.00 0.00 0.00 175.76 175.49 1xsj s LYS 732 N -0.91 0.93 -1.53 0.00 1.02 -0.87 -4.91 119.74 113.48 1xsj s LYS 732 Ca -0.10 -1.04 -0.06 0.00 0.02 0.00 0.00 55.97 54.80 1xsj s LYS 732 Cb -0.03 -1.01 0.01 0.00 -0.52 0.00 0.00 37.83 36.27 1xsj s LYS 732 CO 0.05 0.23 0.72 -1.71 -0.92 0.00 0.00 175.35 173.71 1xsj n ASN 733 N 1.17 -6.15 -4.97 2.83 2.85 -1.26 -0.95 115.26 108.77 1xsj n ASN 733 Ca -0.20 -0.34 -0.19 0.00 -0.11 0.00 0.00 54.58 53.73 1xsj n ASN 733 Cb 0.54 -4.94 -0.01 0.00 1.24 0.00 0.00 39.78 36.61 1xsj n ASN 733 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1xsj s TRP 734 N -3.21 3.15 0.04 1.20 1.48 -1.26 -3.57 118.94 116.77 1xsj s TRP 734 Ca 0.36 -0.19 0.01 0.00 -1.06 0.00 0.00 56.10 55.22 1xsj s TRP 734 Cb -0.16 -1.90 -0.03 0.00 -1.16 0.00 0.00 33.47 30.22 1xsj s TRP 734 CO 0.45 0.08 -0.05 0.99 -4.06 0.00 0.00 176.95 174.36 1xsj s THR 735 N -2.15 0.31 -0.17 0.66 2.01 -0.32 -4.51 115.64 111.47 1xsj s THR 735 Ca 0.43 -1.18 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1xsj s THR 735 Cb -0.09 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.78 1xsj s THR 735 CO 0.30 -0.56 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.32 1xsj s LEU 736 N -1.84 1.92 -0.26 4.42 1.98 -0.73 -0.26 118.68 123.91 1xsj s LEU 736 Ca -0.09 -0.64 -0.11 0.00 -2.89 0.00 0.00 54.13 50.41 1xsj s LEU 736 Cb -0.06 -1.21 -0.05 0.00 0.66 0.00 0.00 46.19 45.53 1xsj s LEU 736 CO -0.02 -0.08 0.17 0.00 -1.89 0.00 0.00 176.35 174.53 1xsj s LEU 738 N 1.52 4.33 0.05 0.00 1.43 0.29 -1.43 118.68 124.86 1xsj s LEU 738 Ca 0.07 -1.07 -0.31 0.00 -1.03 0.00 0.00 54.13 51.79 1xsj s LEU 738 Cb -0.15 -2.43 -0.07 0.00 0.03 0.00 0.00 46.19 43.57 1xsj s LEU 738 CO 0.08 -1.44 1.41 -0.60 0.23 0.00 0.00 176.35 176.03 1xsj s ARG 739 N 4.08 4.30 -1.63 1.70 6.06 -0.91 -1.82 118.95 130.73 1xsj s ARG 739 Ca 0.25 2.02 0.00 0.00 -2.50 0.00 0.00 55.73 55.50 1xsj s ARG 739 Cb -0.14 -3.45 0.00 0.00 0.06 0.00 0.00 34.95 31.42 1xsj s ARG 739 CO 0.08 -0.52 0.00 0.09 -2.50 0.00 0.00 175.30 172.45 1xsj n ASN 740 N 4.81 -5.11 -4.48 -2.12 3.02 0.78 -4.72 115.26 107.44 1xsj n ASN 740 Ca 0.13 0.38 -0.39 0.00 -0.03 0.00 0.00 54.58 54.67 1xsj n ASN 740 Cb 0.43 -3.96 -0.11 0.00 -0.61 0.00 0.00 39.78 35.52 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 -2.49 4.84 -0.13 2.41 1.01 -0.75 -5.00 120.40 120.28 1xsj s VAL 741 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 1xsj s VAL 741 Cb 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 1xsj s VAL 741 CO 0.00 0.10 0.24 -0.37 0.00 0.00 0.00 175.10 175.08 1xsj h VAL 742 N 5.56 0.69 -3.77 2.92 -1.51 -1.94 -0.82 116.25 117.38 1xsj h VAL 742 Ca -0.33 -1.59 -0.31 0.00 -1.23 0.00 0.00 66.70 63.25 1xsj h VAL 742 Cb 1.16 1.38 -0.29 0.00 -2.13 0.00 0.00 31.29 31.40 1xsj h VAL 742 CO 0.61 0.23 -0.74 -0.75 -1.23 0.00 0.00 177.57 175.69 1xsj s LYS 743 N -1.99 0.31 0.01 5.19 2.20 -1.26 -4.50 119.74 119.71 1xsj s LYS 743 Ca -0.12 -0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.42 1xsj s LYS 743 Cb 0.00 -0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 35.96 1xsj s LYS 743 CO 0.33 0.03 -0.02 0.54 -0.36 0.00 0.00 175.35 175.87 1xsj s VAL 744 N 0.15 3.95 0.00 4.02 0.11 -1.26 -4.33 120.40 123.03 1xsj s VAL 744 Ca -0.01 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1xsj s VAL 744 Cb -0.04 -2.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.05 1xsj s VAL 744 CO -0.00 0.34 0.47 -3.20 -3.33 0.00 0.00 175.10 169.38 1xsj n ASN 745 N 1.32 0.00 -4.71 3.54 5.15 -0.83 -4.83 115.26 114.91 1xsj n ASN 745 Ca -0.14 0.55 -0.32 0.00 -0.60 0.00 0.00 54.58 54.06 1xsj n ASN 745 Cb 0.52 -0.22 -0.08 0.00 -0.53 0.00 0.00 39.78 39.47 1xsj n ASN 745 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1xsj s GLY 746 N -0.80 1.91 -0.24 8.20 0.00 -0.89 -4.97 107.32 110.54 1xsj s GLY 746 Ca 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 1xsj s GLY 746 CO 0.00 -0.85 0.12 -2.27 0.00 0.00 0.00 173.10 170.10 1xsj s LEU 747 N -1.72 0.43 -0.15 0.66 0.20 -1.26 -0.01 118.68 116.83 1xsj s LEU 747 Ca 0.21 -0.99 -0.03 0.00 0.69 0.00 0.00 54.13 54.01 1xsj s LEU 747 Cb -0.12 -0.27 -0.02 0.00 -0.43 0.00 0.00 46.19 45.35 1xsj s LEU 747 CO 0.12 -0.40 -0.06 -1.10 -0.29 0.00 0.00 176.35 174.62 1xsj s GLN 748 N 2.13 3.57 0.00 1.98 -1.52 -0.76 -4.53 119.66 120.53 1xsj s GLN 748 Ca 0.06 -0.56 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 1xsj s GLN 748 Cb -0.16 -2.83 0.00 0.00 -0.22 0.00 0.00 33.01 29.80 1xsj s GLN 748 CO -0.26 0.25 0.00 -0.25 -0.25 0.00 0.00 175.29 174.78 1xsj n ASP 749 N 3.49 -2.50 -3.55 5.90 9.92 -1.26 -2.29 116.55 126.25 1xsj n ASP 749 Ca -0.18 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 53.97 1xsj n ASP 749 Cb 0.53 -0.42 -0.04 0.00 -0.64 0.00 0.00 41.12 40.54 1xsj n ASP 749 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xsj s GLY 750 N -2.64 -0.36 0.00 0.44 0.00 -1.26 -1.86 107.32 101.65 1xsj s GLY 750 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 44.72 46.41 1xsj s GLY 750 CO 0.00 0.85 0.00 -1.14 0.00 0.00 0.00 173.10 172.81 1xsj n SER 751 N 0.51 0.00 -2.64 1.64 3.41 0.06 -4.91 113.62 111.70 1xsj n SER 751 Ca -0.11 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.44 1xsj n SER 751 Cb 0.59 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1xsj n SER 751 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xsj n GLN 752 N 0.00 0.81 -3.61 4.33 10.64 -1.26 -3.99 117.38 124.31 1xsj n GLN 752 Ca 0.00 -1.65 -0.03 0.00 -1.83 0.00 0.00 57.00 53.49 1xsj n GLN 752 Cb 0.00 2.10 -0.01 0.00 -0.86 0.00 0.00 30.24 31.47 1xsj n GLN 752 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsj s ALA 753 N -1.89 -2.00 0.33 2.61 0.00 -0.31 -4.86 121.76 115.63 1xsj s ALA 753 Ca 0.15 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.19 1xsj s ALA 753 Cb -0.04 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1xsj s ALA 753 CO 0.08 -0.81 0.14 -1.21 0.00 0.00 0.00 175.76 173.96 1xsj s GLU 754 N -2.70 2.41 0.01 0.00 2.02 -1.26 -1.70 118.70 117.48 1xsj s GLU 754 Ca 0.10 -1.50 -0.29 0.00 0.02 0.00 0.00 54.97 53.30 1xsj s GLU 754 Cb 0.01 -2.21 0.10 0.00 0.10 0.00 0.00 34.13 32.13 1xsj s GLU 754 CO -0.04 0.14 1.00 -1.54 0.02 0.00 0.00 175.26 174.84 1xsj s SER 755 N -3.84 -0.24 0.45 -0.19 1.04 -1.25 -4.78 113.70 104.88 1xsj s SER 755 Ca 0.37 -0.13 0.16 0.00 0.48 0.00 0.00 55.95 56.84 1xsj s SER 755 Cb -0.03 0.35 1.05 0.00 0.10 0.00 0.00 66.02 67.49 1xsj s SER 755 CO 0.23 -0.60 1.99 1.05 0.98 0.00 0.00 173.24 176.88 1xsj h GLU 756 N 2.00 0.00 0.02 4.02 4.11 -2.00 -2.61 114.58 120.12 1xsj h GLU 756 Ca -0.22 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 58.99 1xsj h GLU 756 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1xsj h GLU 756 CO 0.28 0.19 -0.97 1.96 0.07 0.00 0.00 179.01 180.54 1xsj h GLN 757 N 0.00 0.34 0.00 1.06 4.20 -1.97 -3.47 115.11 115.27 1xsj h GLN 757 Ca -0.00 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1xsj h GLN 757 Cb 0.36 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1xsj h GLN 757 CO 0.02 1.09 0.00 0.41 -0.67 0.00 0.00 178.83 179.68 1xsj n GLY 758 N 1.02 2.40 3.68 3.46 0.00 -0.98 -0.16 105.19 114.61 1xsj n GLY 758 Ca -0.06 -1.63 -0.60 0.00 0.00 0.00 0.00 46.02 43.74 1xsj n GLY 758 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsj n LEU 759 N 0.00 2.03 -4.69 0.99 7.94 -0.32 -3.83 117.00 119.13 1xsj n LEU 759 Ca 0.00 1.04 -0.38 0.00 -1.11 0.00 0.00 56.01 55.56 1xsj n LEU 759 Cb 0.00 -1.08 -0.07 0.00 0.53 0.00 0.00 43.42 42.80 1xsj n LEU 759 CO 0.00 -0.55 0.09 -0.69 -1.11 0.00 0.00 177.39 175.13 1xsj s VAL 760 N 3.82 5.22 -0.22 1.96 1.01 -0.69 -0.55 120.40 130.96 1xsj s VAL 760 Ca 1.02 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.71 1xsj s VAL 760 Cb -1.18 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 31.49 1xsj s VAL 760 CO 0.68 0.29 -0.11 -0.69 0.00 0.00 0.00 175.10 175.28 1xsj s VAL 761 N 1.00 2.66 -0.16 2.92 1.01 0.11 -1.17 120.40 126.77 1xsj s VAL 761 Ca 0.20 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1xsj s VAL 761 Cb -0.14 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1xsj s VAL 761 CO 0.07 0.37 0.41 -0.75 0.00 0.00 0.00 175.10 175.21 1xsj s LYS 762 N 1.34 4.26 0.15 2.72 2.47 -1.26 -1.77 119.74 127.66 1xsj s LYS 762 Ca 0.03 0.28 -0.24 0.00 -1.56 0.00 0.00 55.97 54.48 1xsj s LYS 762 Cb -0.15 -3.48 -0.08 0.00 -1.46 0.00 0.00 37.83 32.67 1xsj s LYS 762 CO -0.07 0.09 0.75 -1.25 0.16 0.00 0.00 175.35 175.02 1xsj s PRO 763 N 0.88 4.52 -1.10 4.03 0.04 -1.26 -0.76 135.00 141.35 1xsj s PRO 763 Ca 0.21 1.10 -0.08 0.00 0.04 0.00 0.00 61.00 62.28 1xsj s PRO 763 Cb -0.14 -3.26 0.28 0.00 0.04 0.00 0.00 34.50 31.42 1xsj s PRO 763 CO 0.08 0.58 1.17 1.04 0.04 0.00 0.00 177.00 179.91 1xsj n GLN 764 N 1.61 3.68 -1.13 4.56 1.13 -0.78 -4.82 117.38 121.63 1xsj n GLN 764 Ca -0.06 -4.48 0.00 0.00 -1.94 0.00 0.00 57.00 50.52 1xsj n GLN 764 Cb 0.49 -2.53 0.00 0.00 0.11 0.00 0.00 30.24 28.30 1xsj n GLN 764 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xsj n GLY 765 N 2.39 -3.85 2.97 1.08 0.00 -1.26 -4.76 105.19 101.76 1xsj n GLY 765 Ca 0.24 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1xsj n GLY 765 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xsj n ASN 766 N 0.48 0.04 -1.54 1.61 0.23 -1.26 -4.47 115.26 110.35 1xsj n ASN 766 Ca 0.00 -1.44 0.03 0.00 -0.53 0.00 0.00 54.58 52.64 1xsj n ASN 766 Cb 0.00 -0.28 0.05 0.00 -2.08 0.00 0.00 39.78 37.47 1xsj n ASN 766 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsj n ALA 767 N 4.89 2.63 -1.29 -2.53 0.00 -1.26 -3.36 120.51 119.59 1xsj n ALA 767 Ca 0.10 -2.56 -0.33 0.00 0.00 0.00 0.00 53.44 50.64 1xsj n ALA 767 Cb 0.13 -0.69 0.09 0.00 0.00 0.00 0.00 19.45 18.98 1xsj n ALA 767 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsj s LEU 768 N -0.97 3.24 -0.10 0.00 1.43 -1.10 -4.86 118.68 116.32 1xsj s LEU 768 Ca 0.34 2.22 -0.13 0.00 -1.03 0.00 0.00 54.13 55.54 1xsj s LEU 768 Cb 0.38 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 42.06 1xsj s LEU 768 CO -0.14 -2.24 0.34 0.28 0.23 0.00 0.00 176.35 174.81 1xsj s THR 769 N -2.21 0.02 -0.04 5.49 -1.32 -0.97 -2.41 115.64 114.19 1xsj s THR 769 Ca 0.71 -0.13 0.01 0.00 -1.21 0.00 0.00 61.69 61.07 1xsj s THR 769 Cb -0.26 -0.52 0.02 0.00 -1.51 0.00 0.00 72.50 70.24 1xsj s THR 769 CO 0.47 -0.07 -0.04 -0.63 -2.21 0.00 0.00 174.62 172.14 1xsj s ILE 770 N -0.24 0.47 -0.21 5.08 1.01 -0.43 -1.83 121.20 125.06 1xsj s ILE 770 Ca -0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 1xsj s ILE 770 Cb -0.03 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1xsj s ILE 770 CO 0.02 0.21 0.05 -0.89 0.00 0.00 0.00 174.94 174.33 1xsj s THR 771 N 0.94 4.42 0.10 2.92 2.01 0.98 -0.13 115.64 126.88 1xsj s THR 771 Ca -0.11 -0.15 -0.23 0.00 0.31 0.00 0.00 61.69 61.51 1xsj s THR 771 Cb -0.14 -3.02 -0.07 0.00 0.01 0.00 0.00 72.50 69.28 1xsj s THR 771 CO -0.00 0.41 0.68 -0.76 -0.69 0.00 0.00 174.62 174.25 1xsj s LEU 772 N 0.97 4.54 0.00 4.42 1.43 -0.13 -1.96 118.68 127.95 1xsj s LEU 772 Ca 0.03 1.43 0.29 0.00 -1.03 0.00 0.00 54.13 54.86 1xsj s LEU 772 Cb -0.14 -3.10 1.73 0.00 0.03 0.00 0.00 46.19 44.71 1xsj s LEU 772 CO 0.03 0.21 2.07 0.00 0.23 0.00 0.00 176.35 178.88