#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsi s LYS 2 N 0.00 4.43 -0.02 2.12 -0.14 -1.26 -4.87 119.74 119.99 1xsi s LYS 2 Ca 0.00 1.47 -0.06 0.00 -1.36 0.00 0.00 55.97 56.01 1xsi s LYS 2 Cb 0.00 -3.53 -0.02 0.00 -1.68 0.00 0.00 37.83 32.60 1xsi s LYS 2 CO 0.00 -0.30 -0.12 -0.89 -0.76 0.00 0.00 175.35 173.27 1xsi n ILE 3 N 4.45 1.06 -1.47 2.17 5.41 -1.26 -4.89 119.36 124.82 1xsi n ILE 3 Ca 0.09 0.27 -0.29 0.00 1.00 0.00 0.00 62.75 63.82 1xsi n ILE 3 Cb 0.48 -1.78 0.14 0.00 -0.71 0.00 0.00 39.64 37.77 1xsi n ILE 3 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xsi s SER 4 N -5.64 3.44 -0.48 4.38 1.04 -1.26 -1.73 113.70 113.44 1xsi s SER 4 Ca -0.10 1.04 0.03 0.00 0.48 0.00 0.00 55.95 57.40 1xsi s SER 4 Cb 0.01 -1.65 0.15 0.00 0.10 0.00 0.00 66.02 64.64 1xsi s SER 4 CO 0.15 -2.60 0.32 -0.62 0.98 0.00 0.00 173.24 171.47 1xsi s ASP 5 N -3.91 3.29 0.89 7.02 2.15 0.74 -4.24 116.67 122.61 1xsi s ASP 5 Ca 0.64 -2.97 0.00 0.00 0.43 0.00 0.00 52.55 50.64 1xsi s ASP 5 Cb -0.15 -0.97 0.00 0.00 -0.30 0.00 0.00 42.92 41.49 1xsi s ASP 5 CO 0.54 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.95 1xsi n GLY 6 N 3.06 -0.20 0.20 2.66 0.00 -1.26 -2.95 105.19 106.70 1xsi n GLY 6 Ca 0.17 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.31 1xsi n GLY 6 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xsi h ASN 7 N 0.00 0.00 0.11 1.61 -1.24 -1.96 -3.37 115.58 110.73 1xsi h ASN 7 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.65 1xsi h ASN 7 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1xsi h ASN 7 CO 0.00 0.25 -2.21 0.79 -1.29 0.00 0.00 177.43 174.96 1xsi n TRP 8 N -3.22 0.47 -4.66 0.67 7.02 -1.26 -5.04 117.44 111.41 1xsi n TRP 8 Ca 0.02 0.13 -0.33 0.00 -1.02 0.00 0.00 57.50 56.30 1xsi n TRP 8 Cb 0.56 -1.07 -0.06 0.00 -2.42 0.00 0.00 31.31 28.32 1xsi n TRP 8 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1xsi s LEU 9 N -6.32 2.29 0.03 -0.99 1.43 -1.15 -5.00 118.68 108.96 1xsi s LEU 9 Ca -0.21 -1.63 0.07 0.00 -1.03 0.00 0.00 54.13 51.33 1xsi s LEU 9 Cb 0.08 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 1xsi s LEU 9 CO 0.74 -0.93 -0.21 -0.63 0.23 0.00 0.00 176.35 175.55 1xsi s ILE 10 N -2.88 1.67 0.24 -0.59 1.01 -1.26 -0.19 121.20 119.21 1xsi s ILE 10 Ca 0.07 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.29 1xsi s ILE 10 Cb 0.00 -1.44 -0.15 0.00 0.01 0.00 0.00 42.46 40.89 1xsi s ILE 10 CO 0.04 0.27 1.03 0.00 0.00 0.00 0.00 174.94 176.28 1xsi n GLN 11 N 2.01 1.19 -1.68 2.79 1.13 -0.71 -4.67 117.38 117.46 1xsi n GLN 11 Ca -0.17 0.42 -0.45 0.00 -1.94 0.00 0.00 57.00 54.86 1xsi n GLN 11 Cb 0.53 -1.81 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 1xsi n GLN 11 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1xsi n PRO 12 N 1.10 2.22 -0.57 -1.09 -0.02 -1.26 -2.35 135.00 133.04 1xsi n PRO 12 Ca 0.12 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1xsi n PRO 12 Cb 0.29 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1xsi n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xsi n GLY 13 N 3.16 0.75 3.68 -1.23 0.00 -1.26 -4.88 105.19 105.41 1xsi n GLY 13 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1xsi n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsi s LEU 14 N 0.00 4.11 -0.15 0.99 1.43 -0.99 -1.05 118.68 123.02 1xsi s LEU 14 Ca 0.00 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1xsi s LEU 14 Cb 0.00 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1xsi s LEU 14 CO 0.00 0.11 -0.02 0.20 0.23 0.00 0.00 176.35 176.87 1xsi s ASN 15 N 0.76 4.94 0.02 2.29 0.01 -0.51 -4.90 114.94 117.54 1xsi s ASN 15 Ca 0.07 -0.07 0.05 0.00 -0.71 0.00 0.00 52.86 52.19 1xsi s ASN 15 Cb -0.13 -1.76 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 1xsi s ASN 15 CO 0.02 0.20 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.94 1xsi s LEU 16 N 0.21 3.01 0.01 0.60 1.43 -1.26 -1.02 118.68 121.66 1xsi s LEU 16 Ca -0.01 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1xsi s LEU 16 Cb -0.14 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1xsi s LEU 16 CO 0.02 0.27 -0.02 0.27 0.23 0.00 0.00 176.35 177.12 1xsi s ILE 17 N -1.00 0.11 0.08 -0.59 -4.36 -0.73 -5.01 121.20 109.70 1xsi s ILE 17 Ca 0.17 -0.43 0.05 0.00 -0.26 0.00 0.00 60.65 60.18 1xsi s ILE 17 Cb -0.11 -0.17 -0.03 0.00 1.25 0.00 0.00 42.46 43.40 1xsi s ILE 17 CO 0.08 -0.20 -0.12 -1.00 0.24 0.00 0.00 174.94 173.93 1xsi s HIS 18 N -0.64 1.13 -0.47 1.37 3.76 -1.26 -1.35 115.29 117.83 1xsi s HIS 18 Ca -0.06 -0.52 -0.28 0.00 -0.15 0.00 0.00 55.06 54.04 1xsi s HIS 18 Cb -0.05 -0.63 0.01 0.00 1.11 0.00 0.00 32.58 33.03 1xsi s HIS 18 CO -0.00 0.04 1.39 -1.25 -0.85 0.00 0.00 174.74 174.06 1xsi s PRO 19 N -2.06 3.49 -0.02 8.40 0.04 -1.26 -3.42 135.00 140.17 1xsi s PRO 19 Ca -0.00 0.73 0.16 0.00 0.04 0.00 0.00 61.00 61.93 1xsi s PRO 19 Cb -0.08 -4.05 -0.24 0.00 0.04 0.00 0.00 34.50 30.17 1xsi s PRO 19 CO 0.02 -1.68 0.37 1.28 0.04 0.00 0.00 177.00 177.02 1xsi n LEU 20 N 9.01 0.05 -3.69 -3.56 4.77 0.96 -4.60 117.00 119.93 1xsi n LEU 20 Ca 0.15 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1xsi n LEU 20 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1xsi n LEU 20 CO 0.71 0.01 0.14 -1.58 -1.33 0.00 0.00 177.39 175.34 1xsi s GLN 21 N -3.07 0.51 0.07 3.23 0.74 -0.82 -4.42 119.66 115.89 1xsi s GLN 21 Ca -0.05 0.82 -0.31 0.00 0.05 0.00 0.00 55.36 55.88 1xsi s GLN 21 Cb 0.10 0.11 -0.07 0.00 1.10 0.00 0.00 33.01 34.25 1xsi s GLN 21 CO 0.66 -0.13 1.50 0.08 -0.55 0.00 0.00 175.29 176.86 1xsi s VAL 22 N 1.04 3.28 -0.21 1.34 1.01 -1.26 -1.81 120.40 123.79 1xsi s VAL 22 Ca -0.06 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 1xsi s VAL 22 Cb -0.06 -3.51 -0.20 0.00 0.00 0.00 0.00 36.38 32.62 1xsi s VAL 22 CO -0.09 0.02 -0.01 0.33 0.00 0.00 0.00 175.10 175.35 1xsi n PHE 23 N 4.98 0.52 -3.63 5.22 7.35 0.16 -4.72 117.46 127.33 1xsi n PHE 23 Ca 0.14 0.13 -0.12 0.00 -0.76 0.00 0.00 57.45 56.84 1xsi n PHE 23 Cb 0.42 -1.06 -0.07 0.00 0.35 0.00 0.00 39.48 39.11 1xsi n PHE 23 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1xsi s GLU 24 N -2.52 0.72 0.00 -4.13 2.12 -1.19 -5.01 118.70 108.70 1xsi s GLU 24 Ca -0.31 0.82 0.06 0.00 0.36 0.00 0.00 54.97 55.91 1xsi s GLU 24 Cb 0.09 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.80 1xsi s GLU 24 CO 0.64 -0.09 -0.19 0.08 -0.54 0.00 0.00 175.26 175.16 1xsi s VAL 25 N 0.26 2.72 -0.08 3.70 1.01 -1.26 -1.00 120.40 125.74 1xsi s VAL 25 Ca 0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1xsi s VAL 25 Cb -0.05 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.29 1xsi s VAL 25 CO -0.01 0.45 0.19 -0.70 0.00 0.00 0.00 175.10 175.02 1xsi s GLU 26 N -1.08 0.14 -0.11 2.72 2.12 0.14 -4.99 118.70 117.63 1xsi s GLU 26 Ca 0.13 0.43 -0.18 0.00 0.36 0.00 0.00 54.97 55.71 1xsi s GLU 26 Cb -0.10 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.09 1xsi s GLU 26 CO 0.03 -0.16 0.49 -1.14 -0.54 0.00 0.00 175.26 173.93 1xsi s GLN 27 N 1.19 4.33 -0.41 4.30 0.74 -1.26 -0.32 119.66 128.23 1xsi s GLN 27 Ca -0.09 0.48 0.03 0.00 0.05 0.00 0.00 55.36 55.83 1xsi s GLN 27 Cb -0.11 -3.43 0.11 0.00 1.10 0.00 0.00 33.01 30.69 1xsi s GLN 27 CO -0.07 0.18 0.15 -0.65 -0.55 0.00 0.00 175.29 174.35 1xsi s GLN 28 N 0.55 1.50 4.75 1.67 -0.21 0.20 -4.98 119.66 123.13 1xsi s GLN 28 Ca 0.27 -2.02 0.00 0.00 0.02 0.00 0.00 55.36 53.62 1xsi s GLN 28 Cb -0.15 -2.94 0.00 0.00 1.00 0.00 0.00 33.01 30.92 1xsi s GLN 28 CO 0.11 -1.03 0.00 -3.47 -2.12 0.00 0.00 175.29 168.77 1xsi n ASP 29 N 3.86 0.00 -1.35 5.90 4.64 -1.26 -1.26 116.55 127.07 1xsi n ASP 29 Ca 0.04 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.44 1xsi n ASP 29 Cb 0.38 0.00 0.25 0.00 -1.04 0.00 0.00 41.12 40.70 1xsi n ASP 29 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1xsi n ASN 30 N 10.05 3.64 -4.26 1.67 6.94 -1.26 -4.97 115.26 127.08 1xsi n ASN 30 Ca 0.00 -3.37 -0.23 0.00 -0.02 0.00 0.00 54.58 50.96 1xsi n ASN 30 Cb 0.00 -0.65 -0.13 0.00 -2.36 0.00 0.00 39.78 36.65 1xsi n ASN 30 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1xsi s GLU 31 N -3.05 1.08 -0.14 -3.83 2.02 -0.39 -4.65 118.70 109.74 1xsi s GLU 31 Ca 0.47 -1.10 -0.02 0.00 0.02 0.00 0.00 54.97 54.34 1xsi s GLU 31 Cb 0.40 -1.29 -0.02 0.00 0.10 0.00 0.00 34.13 33.32 1xsi s GLU 31 CO 0.07 0.30 -0.09 1.41 0.02 0.00 0.00 175.26 176.97 1xsi s MET 32 N -1.82 3.50 -0.15 1.61 -2.45 -0.37 -0.63 119.30 118.99 1xsi s MET 32 Ca 0.05 -0.61 -0.01 0.00 -1.25 0.00 0.00 55.69 53.86 1xsi s MET 32 Cb -0.10 -2.75 -0.01 0.00 1.25 0.00 0.00 34.83 33.22 1xsi s MET 32 CO 0.04 0.23 -0.10 0.08 1.05 0.00 0.00 175.02 176.32 1xsi s VAL 33 N 0.33 3.19 -0.14 10.11 1.01 0.57 -0.66 120.40 134.81 1xsi s VAL 33 Ca -0.08 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1xsi s VAL 33 Cb -0.15 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 1xsi s VAL 33 CO 0.05 0.50 -0.17 -0.69 0.00 0.00 0.00 175.10 174.78 1xsi s VAL 34 N 0.63 2.54 -0.20 2.92 1.01 0.11 -0.69 120.40 126.73 1xsi s VAL 34 Ca -0.06 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1xsi s VAL 34 Cb -0.15 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1xsi s VAL 34 CO 0.03 0.53 0.23 -0.31 0.00 0.00 0.00 175.10 175.57 1xsi s TYR 35 N 0.70 3.39 -0.06 5.22 2.02 -0.17 -0.48 117.35 127.96 1xsi s TYR 35 Ca -0.08 0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 57.03 1xsi s TYR 35 Cb -0.16 -2.30 0.03 0.00 -0.40 0.00 0.00 41.96 39.13 1xsi s TYR 35 CO 0.01 0.16 0.01 0.00 -1.57 0.00 0.00 175.55 174.16 1xsi s ALA 36 N 0.74 0.63 0.46 3.71 0.00 0.22 0.36 121.76 127.88 1xsi s ALA 36 Ca 0.12 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.81 1xsi s ALA 36 Cb -0.13 -0.69 -0.10 0.00 0.00 0.00 0.00 23.12 22.20 1xsi s ALA 36 CO 0.03 -0.42 0.97 0.00 0.00 0.00 0.00 175.76 176.34 1xsi s ALA 37 N 1.89 3.01 -1.67 0.00 0.00 -0.75 -1.18 121.76 123.06 1xsi s ALA 37 Ca 0.03 0.38 0.18 0.00 0.00 0.00 0.00 51.96 52.55 1xsi s ALA 37 Cb -0.12 -3.16 0.95 0.00 0.00 0.00 0.00 23.12 20.79 1xsi s ALA 37 CO -0.05 -0.04 1.49 -2.30 0.00 0.00 0.00 175.76 174.87 1xsi n PRO 38 N -0.93 0.38 -1.67 0.00 -0.02 -1.22 -0.03 135.00 131.51 1xsi n PRO 38 Ca 0.07 0.07 -0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1xsi n PRO 38 Cb 0.54 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1xsi n PRO 38 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xsi n ARG 39 N -1.16 0.02 -2.41 -0.52 1.85 -1.26 -4.64 116.66 108.54 1xsi n ARG 39 Ca 0.10 -0.08 -0.43 0.00 -1.00 0.00 0.00 57.85 56.45 1xsi n ARG 39 Cb 0.10 0.07 -0.02 0.00 -1.05 0.00 0.00 32.46 31.57 1xsi n ARG 39 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1xsi s ASP 40 N -1.06 6.38 -0.22 2.89 -1.08 -1.26 -4.52 116.67 117.79 1xsi s ASP 40 Ca 0.01 0.69 0.13 0.00 -0.52 0.00 0.00 52.55 52.86 1xsi s ASP 40 Cb -0.00 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.37 1xsi s ASP 40 CO 0.01 -1.43 1.19 1.33 0.52 0.00 0.00 175.17 176.79 1xsi n VAL 41 N 7.02 1.93 0.12 1.11 0.24 -1.26 -4.73 118.33 122.76 1xsi n VAL 41 Ca 0.15 -3.31 -0.02 0.00 -2.04 0.00 0.00 64.34 59.11 1xsi n VAL 41 Cb 0.48 -0.22 0.15 0.00 -1.47 0.00 0.00 33.84 32.78 1xsi n VAL 41 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1xsi h ARG 42 N 1.71 0.05 -5.46 7.34 3.08 -1.96 -3.43 114.38 115.71 1xsi h ARG 42 Ca 0.10 -0.04 -0.59 0.00 0.07 0.00 0.00 59.98 59.52 1xsi h ARG 42 Cb 1.37 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 31.32 1xsi h ARG 42 CO 0.34 0.66 -0.30 -1.21 -1.07 0.00 0.00 179.97 178.40 1xsi s GLU 43 N -3.61 4.23 0.56 0.04 2.02 -1.26 -4.98 118.70 115.70 1xsi s GLU 43 Ca -0.02 0.11 0.33 0.00 0.02 0.00 0.00 54.97 55.42 1xsi s GLU 43 Cb 0.12 -3.46 1.48 0.00 0.10 0.00 0.00 34.13 32.37 1xsi s GLU 43 CO 0.77 0.15 1.81 0.00 0.02 0.00 0.00 175.26 178.02 1xsi h ARG 44 N 6.91 0.00 -0.35 1.61 2.47 -1.97 -1.41 114.38 121.64 1xsi h ARG 44 Ca -0.40 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.28 1xsi h ARG 44 Cb 1.16 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 1xsi h ARG 44 CO 0.74 0.00 0.02 0.00 0.56 0.00 0.00 179.97 181.29 1xsi h THR 45 N 0.00 1.19 -0.01 2.04 1.03 -1.95 -0.39 112.91 114.82 1xsi h THR 45 Ca 0.44 -0.75 0.00 0.00 -0.01 0.00 0.00 66.41 66.09 1xsi h THR 45 Cb 1.92 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 69.90 1xsi h THR 45 CO -0.00 0.26 -0.31 0.79 -0.01 0.00 0.00 175.52 176.25 1xsi n TRP 46 N -4.29 0.00 0.58 0.00 7.02 -0.55 -4.50 117.44 115.70 1xsi n TRP 46 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1xsi n TRP 46 Cb 0.23 -0.09 0.00 0.00 -2.42 0.00 0.00 31.31 29.04 1xsi n TRP 46 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1xsi n GLN 47 N -0.46 0.58 -3.65 -0.99 7.27 -0.16 -4.74 117.38 115.24 1xsi n GLN 47 Ca 0.12 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.11 1xsi n GLN 47 Cb 0.38 -1.22 -0.02 0.00 2.41 0.00 0.00 30.24 31.79 1xsi n GLN 47 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1xsi s LEU 48 N 0.00 -0.35 -1.24 1.69 0.05 -1.26 -4.97 118.68 112.60 1xsi s LEU 48 Ca 0.00 -0.28 -0.07 0.00 0.05 0.00 0.00 54.13 53.82 1xsi s LEU 48 Cb 0.00 2.45 0.01 0.00 -2.05 0.00 0.00 46.19 46.60 1xsi s LEU 48 CO 0.00 -1.02 0.98 0.47 -0.55 0.00 0.00 176.35 176.23 1xsi n ASP 49 N -0.40 -5.89 -3.87 1.48 8.00 -1.26 -5.03 116.55 109.58 1xsi n ASP 49 Ca -0.09 -0.44 -0.11 0.00 0.71 0.00 0.00 54.79 54.85 1xsi n ASP 49 Cb 0.62 -4.54 -0.12 0.00 -0.02 0.00 0.00 41.12 37.06 1xsi n ASP 49 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xsi s THR 50 N -3.26 0.04 0.61 -3.53 -1.32 -1.26 -5.16 115.64 101.76 1xsi s THR 50 Ca 0.48 -0.33 -0.17 0.00 -1.21 0.00 0.00 61.69 60.47 1xsi s THR 50 Cb -0.21 -0.25 -0.03 0.00 -1.51 0.00 0.00 72.50 70.50 1xsi s THR 50 CO 0.60 -0.18 1.11 -2.84 -2.21 0.00 0.00 174.62 171.10 1xsi s PRO 51 N -0.57 3.05 -0.04 7.08 0.02 -1.26 -5.04 135.00 138.25 1xsi s PRO 51 Ca -0.06 1.45 -0.00 0.00 0.02 0.00 0.00 61.00 62.41 1xsi s PRO 51 Cb -0.04 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.53 1xsi s PRO 51 CO 0.00 -1.06 0.01 -1.17 -0.33 0.00 0.00 177.00 174.46 1xsi s LEU 52 N -4.43 0.93 0.05 -5.54 1.98 -1.26 -3.80 118.68 106.60 1xsi s LEU 52 Ca 0.69 -0.01 -0.16 0.00 -2.89 0.00 0.00 54.13 51.76 1xsi s LEU 52 Cb -0.21 -0.22 -0.06 0.00 0.66 0.00 0.00 46.19 46.36 1xsi s LEU 52 CO 0.36 -0.14 0.48 -0.36 -1.89 0.00 0.00 176.35 174.79 1xsi s PHE 53 N 1.32 3.73 -0.19 5.38 0.40 -0.33 -4.77 117.98 123.52 1xsi s PHE 53 Ca -0.06 1.08 -0.03 0.00 -0.60 0.00 0.00 56.93 57.32 1xsi s PHE 53 Cb -0.13 -2.35 -0.01 0.00 0.51 0.00 0.00 43.02 41.03 1xsi s PHE 53 CO -0.02 0.59 -0.07 0.99 0.70 0.00 0.00 175.22 177.41 1xsi s THR 54 N -1.16 3.28 -0.19 0.64 2.01 -0.75 -0.61 115.64 118.86 1xsi s THR 54 Ca 0.28 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 1xsi s THR 54 Cb -0.17 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 69.89 1xsi s THR 54 CO 0.16 0.46 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.64 1xsi s LEU 55 N 1.10 2.40 -0.13 4.42 1.02 0.37 -0.15 118.68 127.70 1xsi s LEU 55 Ca 0.01 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.61 1xsi s LEU 55 Cb -0.15 -1.57 -0.01 0.00 0.02 0.00 0.00 46.19 44.49 1xsi s LEU 55 CO -0.01 0.01 -0.14 -0.60 0.02 0.00 0.00 176.35 175.62 1xsi s ARG 56 N 1.28 3.33 -0.17 1.70 3.52 0.17 0.10 118.95 128.88 1xsi s ARG 56 Ca 0.04 -0.71 -0.04 0.00 -0.13 0.00 0.00 55.73 54.89 1xsi s ARG 56 Cb -0.14 -2.62 -0.03 0.00 -1.56 0.00 0.00 34.95 30.61 1xsi s ARG 56 CO -0.08 0.16 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.49 1xsi s PHE 57 N 0.47 3.04 0.14 5.12 0.08 0.16 -1.12 117.98 125.88 1xsi s PHE 57 Ca -0.10 -0.32 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 1xsi s PHE 57 Cb -0.16 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1xsi s PHE 57 CO 0.05 -0.08 0.32 -0.59 -0.10 0.00 0.00 175.22 174.82 1xsi s PHE 58 N 0.54 0.16 -0.17 0.36 -0.71 -0.80 -1.23 117.98 116.12 1xsi s PHE 58 Ca -0.02 -0.53 0.00 0.00 -1.04 0.00 0.00 56.93 55.34 1xsi s PHE 58 Cb -0.14 0.06 0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1xsi s PHE 58 CO 0.02 -0.70 -0.12 0.45 -1.34 0.00 0.00 175.22 173.53 1xsi s SER 59 N -2.90 2.99 0.11 1.98 0.15 -1.26 0.54 113.70 115.30 1xsi s SER 59 Ca 0.11 -0.67 0.24 0.00 0.70 0.00 0.00 55.95 56.33 1xsi s SER 59 Cb 0.03 -1.18 0.38 0.00 -1.71 0.00 0.00 66.02 63.54 1xsi s SER 59 CO -0.05 -0.10 1.34 -0.81 1.20 0.00 0.00 173.24 174.82 1xsi n PRO 60 N 4.74 0.26 -3.58 5.44 -0.04 -1.26 -4.66 135.00 135.91 1xsi n PRO 60 Ca -0.16 0.08 -0.16 0.00 -0.04 0.00 0.00 63.50 63.22 1xsi n PRO 60 Cb 0.48 -1.67 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 1xsi n PRO 60 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xsi s GLN 61 N -3.15 0.94 -0.07 0.54 -1.52 -1.26 -1.32 119.66 113.83 1xsi s GLN 61 Ca 0.07 0.63 -0.40 0.00 -1.95 0.00 0.00 55.36 53.71 1xsi s GLN 61 Cb 0.14 0.45 -0.19 0.00 -0.22 0.00 0.00 33.01 33.19 1xsi s GLN 61 CO 0.71 -0.21 1.26 -1.91 -0.25 0.00 0.00 175.29 174.89 1xsi n GLU 62 N 1.81 0.37 -0.89 2.91 0.00 -1.26 -0.82 120.64 122.75 1xsi n GLU 62 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1xsi n GLU 62 Cb 0.56 -1.68 0.00 0.00 0.00 0.00 0.00 31.44 30.32 1xsi n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xsi n GLY 63 N 2.28 0.63 3.30 8.31 0.00 -1.15 -4.94 105.19 113.62 1xsi n GLY 63 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1xsi n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsi s ILE 64 N -2.34 2.95 -0.24 -0.61 1.01 -0.00 -1.41 121.20 120.55 1xsi s ILE 64 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1xsi s ILE 64 Cb 0.00 -2.27 -0.00 0.00 0.01 0.00 0.00 42.46 40.20 1xsi s ILE 64 CO 0.00 0.50 -0.01 -0.69 0.00 0.00 0.00 174.94 174.74 1xsi s VAL 65 N 0.87 3.50 0.23 2.92 1.01 -0.61 -4.14 120.40 124.17 1xsi s VAL 65 Ca -0.03 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 1xsi s VAL 65 Cb -0.15 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 1xsi s VAL 65 CO -0.00 0.30 0.83 -0.83 0.00 0.00 0.00 175.10 175.40 1xsi s GLY 66 N 1.47 2.86 -0.12 4.51 0.00 0.19 -0.89 107.32 115.34 1xsi s GLY 66 Ca 0.04 0.40 -0.01 0.00 0.00 0.00 0.00 44.72 45.16 1xsi s GLY 66 CO -0.02 0.87 -0.06 0.14 0.00 0.00 0.00 173.10 174.04 1xsi s VAL 67 N -1.34 0.95 -0.23 1.40 1.01 0.50 -1.91 120.40 120.77 1xsi s VAL 67 Ca 0.41 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1xsi s VAL 67 Cb -0.21 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1xsi s VAL 67 CO 0.26 0.30 -0.11 -0.60 0.00 0.00 0.00 175.10 174.95 1xsi s ARG 68 N 1.73 2.85 -0.29 2.72 3.52 -0.28 -1.72 118.95 127.49 1xsi s ARG 68 Ca 0.04 -0.95 -0.08 0.00 -0.13 0.00 0.00 55.73 54.61 1xsi s ARG 68 Cb -0.13 -2.84 -0.01 0.00 -1.56 0.00 0.00 34.95 30.41 1xsi s ARG 68 CO -0.08 -0.34 0.12 0.42 -0.81 0.00 0.00 175.30 174.61 1xsi s ILE 69 N 1.30 4.41 0.10 4.11 1.01 0.16 -0.66 121.20 131.63 1xsi s ILE 69 Ca 0.01 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.35 1xsi s ILE 69 Cb -0.16 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1xsi s ILE 69 CO -0.07 0.14 -0.25 -1.83 0.00 0.00 0.00 174.94 172.93 1xsi s GLU 70 N 1.59 1.40 0.00 2.79 -1.05 0.79 0.38 118.70 124.60 1xsi s GLU 70 Ca 0.05 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.63 1xsi s GLU 70 Cb -0.17 -1.76 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 1xsi s GLU 70 CO 0.05 0.43 0.00 1.58 0.95 0.00 0.00 175.26 178.26 1xsi n HIS 71 N 1.17 0.00 -3.11 4.83 -0.00 -0.46 -1.80 115.22 115.84 1xsi n HIS 71 Ca -0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.15 1xsi n HIS 71 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.47 1xsi n HIS 71 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1xsi s PHE 72 N 0.63 3.56 -0.57 1.57 0.08 -1.25 -4.85 117.98 117.14 1xsi s PHE 72 Ca 0.00 1.16 0.24 0.00 0.12 0.00 0.00 56.93 58.45 1xsi s PHE 72 Cb 0.00 -2.74 0.38 0.00 -0.57 0.00 0.00 43.02 40.09 1xsi s PHE 72 CO 0.00 0.11 1.40 1.96 -0.10 0.00 0.00 175.22 178.59 1xsi h GLN 73 N 6.75 0.00 0.00 0.44 4.20 -1.95 -3.38 115.11 121.18 1xsi h GLN 73 Ca -0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1xsi h GLN 73 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1xsi h GLN 73 CO 0.75 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.32 1xsi n GLY 74 N 1.28 -0.90 3.75 3.46 0.00 -1.26 -4.86 105.19 106.66 1xsi n GLY 74 Ca 0.03 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1xsi n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsi s ALA 75 N -2.33 2.32 0.09 4.61 0.00 -1.26 -4.98 121.76 120.22 1xsi s ALA 75 Ca 0.27 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.64 1xsi s ALA 75 Cb 0.15 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.77 1xsi s ALA 75 CO 0.31 -1.53 1.70 -0.07 0.00 0.00 0.00 175.76 176.17 1xsi h LEU 76 N -0.15 -0.28 -3.10 0.00 3.38 -1.97 -3.48 115.31 109.72 1xsi h LEU 76 Ca -0.47 0.02 -0.36 0.00 0.09 0.00 0.00 57.88 57.16 1xsi h LEU 76 Cb 1.26 0.09 0.07 0.00 0.09 0.00 0.00 40.66 42.18 1xsi h LEU 76 CO 0.52 -0.17 -0.82 0.59 0.09 0.00 0.00 178.44 178.66 1xsi n ASN 77 N -5.22 -5.77 -4.89 -0.43 5.03 -1.26 -5.02 115.26 97.70 1xsi n ASN 77 Ca -0.08 -0.85 -0.29 0.00 0.87 0.00 0.00 54.58 54.23 1xsi n ASN 77 Cb 0.15 -3.61 0.03 0.00 -1.02 0.00 0.00 39.78 35.33 1xsi n ASN 77 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1xsi s ASN 78 N -3.33 5.66 1.18 6.41 0.01 -1.26 -5.11 114.94 118.50 1xsi s ASN 78 Ca 0.35 1.07 -0.16 0.00 -0.71 0.00 0.00 52.86 53.42 1xsi s ASN 78 Cb -0.12 -1.99 0.23 0.00 0.41 0.00 0.00 41.25 39.79 1xsi s ASN 78 CO 0.84 -1.16 0.84 0.61 -1.51 0.00 0.00 177.10 176.73 1xsi n GLY 79 N -2.83 -2.62 3.89 0.66 0.00 -1.26 -4.65 105.19 98.39 1xsi n GLY 79 Ca 0.06 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1xsi n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xsi s PRO 80 N -4.91 3.39 0.40 1.61 0.04 -1.26 -0.16 135.00 134.11 1xsi s PRO 80 Ca 0.54 0.40 0.08 0.00 0.04 0.00 0.00 61.00 62.06 1xsi s PRO 80 Cb -0.05 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1xsi s PRO 80 CO 0.41 -0.51 0.25 -1.01 0.04 0.00 0.00 177.00 176.18 1xsi s HIS 81 N -3.01 2.68 0.46 0.56 3.76 -1.26 -4.85 115.29 113.63 1xsi s HIS 81 Ca 0.52 -0.50 -0.23 0.00 -0.15 0.00 0.00 55.06 54.70 1xsi s HIS 81 Cb -0.11 -1.98 -0.07 0.00 1.11 0.00 0.00 32.58 31.53 1xsi s HIS 81 CO 0.49 0.10 1.19 0.71 -0.85 0.00 0.00 174.74 176.37 1xsi s TYR 82 N -2.51 2.83 -0.54 1.40 2.02 -1.26 -4.92 117.35 114.38 1xsi s TYR 82 Ca 0.43 1.52 -0.05 0.00 -0.37 0.00 0.00 57.07 58.60 1xsi s TYR 82 Cb -0.00 -3.43 -0.11 0.00 -0.40 0.00 0.00 41.96 38.02 1xsi s TYR 82 CO 0.25 -1.63 2.37 -0.35 -1.57 0.00 0.00 175.55 174.62 1xsi n PRO 83 N -0.48 1.84 -2.56 -1.71 -0.04 -1.26 -4.95 135.00 125.84 1xsi n PRO 83 Ca 0.07 -1.13 -0.39 0.00 -0.04 0.00 0.00 63.50 62.01 1xsi n PRO 83 Cb 0.48 -2.18 -0.05 0.00 -0.04 0.00 0.00 33.50 31.71 1xsi n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsi s LEU 84 N 0.06 4.42 -0.48 1.53 1.02 -1.26 -4.73 118.68 119.24 1xsi s LEU 84 Ca 0.44 2.12 -0.19 0.00 0.02 0.00 0.00 54.13 56.52 1xsi s LEU 84 Cb 0.16 -3.83 0.04 0.00 0.02 0.00 0.00 46.19 42.58 1xsi s LEU 84 CO -0.02 -0.20 0.60 0.20 0.02 0.00 0.00 176.35 176.95 1xsi s ASN 85 N -1.19 6.24 -0.26 2.29 0.01 0.14 -5.01 114.94 117.15 1xsi s ASN 85 Ca 0.49 -0.74 -0.01 0.00 -0.71 0.00 0.00 52.86 51.88 1xsi s ASN 85 Cb -0.27 -2.29 0.04 0.00 0.41 0.00 0.00 41.25 39.14 1xsi s ASN 85 CO 0.34 -0.82 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.43 1xsi s ILE 86 N 2.60 2.81 0.18 0.60 1.01 -1.26 -4.76 121.20 122.37 1xsi s ILE 86 Ca 0.16 -1.20 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 1xsi s ILE 86 Cb -0.18 -2.51 -0.07 0.00 0.01 0.00 0.00 42.46 39.72 1xsi s ILE 86 CO 0.14 0.09 0.58 -0.76 0.00 0.00 0.00 174.94 174.99 1xsi s LEU 87 N 1.28 4.30 0.00 2.97 1.43 -0.43 -5.01 118.68 123.21 1xsi s LEU 87 Ca -0.02 1.10 0.22 0.00 -1.03 0.00 0.00 54.13 54.40 1xsi s LEU 87 Cb -0.18 -3.42 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 1xsi s LEU 87 CO -0.04 0.05 1.04 0.00 0.23 0.00 0.00 176.35 177.63 1xsi n GLN 88 N 0.57 0.44 -0.29 1.70 1.13 -1.26 -4.53 117.38 115.15 1xsi n GLN 88 Ca -0.04 -0.36 0.07 0.00 -1.94 0.00 0.00 57.00 54.74 1xsi n GLN 88 Cb 0.52 -1.49 0.12 0.00 0.11 0.00 0.00 30.24 29.49 1xsi n GLN 88 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xsi n ASP 89 N -0.97 1.73 -4.74 1.08 5.75 -1.26 -5.00 116.55 113.14 1xsi n ASP 89 Ca 0.06 -2.93 -0.41 0.00 -0.01 0.00 0.00 54.79 51.50 1xsi n ASP 89 Cb 0.38 -0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1xsi n ASP 89 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xsi s VAL 90 N -2.21 2.57 -0.08 2.12 1.01 -1.26 -4.91 120.40 117.64 1xsi s VAL 90 Ca 0.26 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1xsi s VAL 90 Cb 0.24 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1xsi s VAL 90 CO 0.00 0.07 1.36 -0.75 0.00 0.00 0.00 175.10 175.78 1xsi s LYS 91 N -0.13 4.26 0.18 2.72 2.20 -1.26 -4.99 119.74 122.72 1xsi s LYS 91 Ca 0.62 1.85 0.02 0.00 -0.36 0.00 0.00 55.97 58.09 1xsi s LYS 91 Cb -0.43 -3.70 -0.05 0.00 -1.51 0.00 0.00 37.83 32.14 1xsi s LYS 91 CO 0.42 -0.64 -0.00 0.14 -0.36 0.00 0.00 175.35 174.90 1xsi s VAL 92 N 3.01 0.77 -0.06 4.02 -7.23 -1.26 -4.35 120.40 115.31 1xsi s VAL 92 Ca 0.61 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 1xsi s VAL 92 Cb -0.27 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 34.51 1xsi s VAL 92 CO 0.22 -0.45 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.49 1xsi s THR 93 N -3.59 1.53 -0.15 5.32 2.01 -0.55 -4.99 115.64 115.23 1xsi s THR 93 Ca 0.25 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1xsi s THR 93 Cb 0.06 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.26 1xsi s THR 93 CO 0.05 0.44 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.61 1xsi s ILE 94 N 0.16 1.79 -0.19 1.82 1.01 -1.26 -0.83 121.20 123.69 1xsi s ILE 94 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1xsi s ILE 94 Cb -0.13 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1xsi s ILE 94 CO 0.03 0.50 -0.17 -1.61 0.00 0.00 0.00 174.94 173.69 1xsi s GLU 95 N 1.18 2.98 -0.45 2.79 2.02 -0.07 -5.00 118.70 122.15 1xsi s GLU 95 Ca -0.00 -0.85 -0.04 0.00 0.02 0.00 0.00 54.97 54.10 1xsi s GLU 95 Cb -0.14 -2.67 0.12 0.00 0.10 0.00 0.00 34.13 31.54 1xsi s GLU 95 CO -0.07 -0.24 0.26 1.21 0.02 0.00 0.00 175.26 176.44 1xsi s ASN 96 N 1.30 5.34 0.34 -0.19 2.47 -1.26 -0.94 114.94 122.00 1xsi s ASN 96 Ca 0.04 -2.12 0.04 0.00 0.42 0.00 0.00 52.86 51.24 1xsi s ASN 96 Cb -0.14 -1.87 0.04 0.00 -1.45 0.00 0.00 41.25 37.83 1xsi s ASN 96 CO -0.11 -0.55 0.33 0.35 -3.72 0.00 0.00 177.10 173.40 1xsi n THR 97 N 4.51 0.00 0.12 -5.21 -2.24 -0.24 -5.02 114.28 106.19 1xsi n THR 97 Ca -0.02 -1.27 -0.01 0.00 -2.27 0.00 0.00 64.05 60.48 1xsi n THR 97 Cb 0.41 -0.38 0.03 0.00 -2.10 0.00 0.00 70.33 68.28 1xsi n THR 97 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xsi h GLU 98 N 0.00 0.00 0.07 -0.78 4.57 -2.02 -3.32 114.58 113.10 1xsi h GLU 98 Ca -0.19 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.63 1xsi h GLU 98 Cb 0.77 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 1xsi h GLU 98 CO 0.30 0.67 -2.08 -2.13 -1.18 0.00 0.00 179.01 174.59 1xsi n ARG 99 N -3.36 0.71 -4.00 1.92 0.63 -1.26 -4.72 116.66 106.58 1xsi n ARG 99 Ca 0.01 0.23 -0.08 0.00 -0.92 0.00 0.00 57.85 57.08 1xsi n ARG 99 Cb 0.77 -1.67 -0.09 0.00 0.45 0.00 0.00 32.46 31.92 1xsi n ARG 99 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1xsi s TYR 100 N -2.55 0.41 -0.04 -0.14 4.12 -1.25 -1.11 117.35 116.79 1xsi s TYR 100 Ca -0.21 -0.89 0.07 0.00 0.02 0.00 0.00 57.07 56.05 1xsi s TYR 100 Cb 0.07 -0.26 -0.01 0.00 -1.52 0.00 0.00 41.96 40.24 1xsi s TYR 100 CO 0.75 -0.47 -0.24 0.00 0.02 0.00 0.00 175.55 175.61 1xsi s ALA 101 N -3.91 2.01 -0.05 3.71 0.00 -0.16 -1.08 121.76 122.27 1xsi s ALA 101 Ca 0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 1xsi s ALA 101 Cb 0.07 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.64 1xsi s ALA 101 CO -0.09 0.44 0.12 -2.00 0.00 0.00 0.00 175.76 174.23 1xsi s GLU 102 N -0.34 0.09 -0.08 0.00 2.12 -0.12 -0.15 118.70 120.22 1xsi s GLU 102 Ca 0.03 0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.67 1xsi s GLU 102 Cb -0.11 -0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.17 1xsi s GLU 102 CO 0.01 -0.11 -0.22 0.12 -0.54 0.00 0.00 175.26 174.52 1xsi s PHE 103 N 0.74 2.54 -0.03 5.30 5.36 0.40 -0.89 117.98 131.41 1xsi s PHE 103 Ca -0.06 -0.75 0.01 0.00 -0.96 0.00 0.00 56.93 55.17 1xsi s PHE 103 Cb -0.08 -1.66 0.02 0.00 -0.34 0.00 0.00 43.02 40.96 1xsi s PHE 103 CO -0.03 -0.24 -0.01 0.21 -1.46 0.00 0.00 175.22 173.69 1xsi s LYS 104 N -0.01 0.41 -0.18 10.12 2.20 -0.01 -0.48 119.74 131.79 1xsi s LYS 104 Ca -0.07 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1xsi s LYS 104 Cb -0.15 -0.53 0.04 0.00 -1.51 0.00 0.00 37.83 35.68 1xsi s LYS 104 CO 0.05 -0.10 -0.07 0.45 -0.36 0.00 0.00 175.35 175.32 1xsi s SER 105 N 0.88 3.14 1.84 1.43 0.15 0.12 -1.47 113.70 119.79 1xsi s SER 105 Ca -0.09 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.76 1xsi s SER 105 Cb -0.13 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1xsi s SER 105 CO -0.01 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1xsi n GLY 106 N 4.78 3.57 0.32 9.45 0.00 -1.26 -1.66 105.19 120.39 1xsi n GLY 106 Ca -0.13 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1xsi n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsi n ASN 107 N 7.14 1.24 -4.64 1.61 3.02 -1.26 -4.89 115.26 117.49 1xsi n ASN 107 Ca 0.00 -1.07 -0.35 0.00 -0.03 0.00 0.00 54.58 53.13 1xsi n ASN 107 Cb 0.00 0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 1xsi n ASN 107 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xsi s LEU 108 N -2.42 3.87 0.12 3.41 2.96 -0.67 -1.58 118.68 124.38 1xsi s LEU 108 Ca 0.26 0.08 0.06 0.00 -0.22 0.00 0.00 54.13 54.31 1xsi s LEU 108 Cb 0.19 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1xsi s LEU 108 CO 0.50 0.15 -0.14 -0.94 -1.32 0.00 0.00 176.35 174.59 1xsi s SER 109 N 0.54 2.01 -0.13 3.68 1.04 0.04 0.16 113.70 121.02 1xsi s SER 109 Ca 0.04 -0.80 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 1xsi s SER 109 Cb -0.13 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 1xsi s SER 109 CO 0.01 -0.14 -0.07 0.00 0.98 0.00 0.00 173.24 174.03 1xsi s ALA 110 N -2.08 2.90 -0.07 5.32 0.00 0.36 -0.29 121.76 127.91 1xsi s ALA 110 Ca 0.08 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1xsi s ALA 110 Cb -0.05 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.67 1xsi s ALA 110 CO 0.03 0.28 -0.11 0.50 0.00 0.00 0.00 175.76 176.47 1xsi s ARG 111 N 0.16 1.63 -0.15 0.00 3.52 0.83 -0.45 118.95 124.49 1xsi s ARG 111 Ca -0.03 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.17 1xsi s ARG 111 Cb -0.14 -1.42 -0.03 0.00 -1.56 0.00 0.00 34.95 31.80 1xsi s ARG 111 CO 0.03 -0.04 -0.04 0.08 -0.81 0.00 0.00 175.30 174.52 1xsi s VAL 112 N 0.89 3.83 0.15 7.11 1.01 0.78 -1.00 120.40 133.18 1xsi s VAL 112 Ca -0.10 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1xsi s VAL 112 Cb -0.15 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 1xsi s VAL 112 CO 0.01 0.49 0.98 -0.44 0.00 0.00 0.00 175.10 176.15 1xsi s SER 113 N 0.38 7.48 0.44 3.32 0.01 -0.24 -0.99 113.70 124.10 1xsi s SER 113 Ca -0.04 1.89 -0.07 0.00 1.31 0.00 0.00 55.95 59.04 1xsi s SER 113 Cb -0.14 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 1xsi s SER 113 CO 0.03 -0.05 0.76 -0.54 0.41 0.00 0.00 173.24 173.85 1xsi s LYS 114 N -0.33 3.61 0.81 12.44 1.02 -0.27 -4.37 119.74 132.66 1xsi s LYS 114 Ca 0.46 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.70 1xsi s LYS 114 Cb -0.25 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1xsi s LYS 114 CO 0.31 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 1xsi n GLY 115 N -1.87 -1.80 0.28 -3.33 0.00 -1.26 -4.40 105.19 92.81 1xsi n GLY 115 Ca 0.01 -1.68 0.03 0.00 0.00 0.00 0.00 46.02 44.38 1xsi n GLY 115 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsi h GLU 116 N 0.00 0.37 -3.49 1.61 4.57 -1.93 -3.31 114.58 112.39 1xsi h GLU 116 Ca 0.00 -0.05 -0.77 0.00 -1.18 0.00 0.00 59.36 57.36 1xsi h GLU 116 Cb 0.00 -0.07 -0.19 0.00 -0.16 0.00 0.00 28.75 28.33 1xsi h GLU 116 CO 0.00 0.35 1.60 1.19 -1.18 0.00 0.00 179.01 180.97 1xsi n PHE 117 N -4.39 3.07 -1.60 0.92 3.72 -1.26 -4.97 117.46 112.95 1xsi n PHE 117 Ca 0.01 -2.84 -0.40 0.00 -0.05 0.00 0.00 57.45 54.17 1xsi n PHE 117 Cb 0.16 -1.80 0.03 0.00 -0.94 0.00 0.00 39.48 36.93 1xsi n PHE 117 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 176.76 178.58 1xsi n TRP 118 N 3.39 0.92 -3.50 1.38 -0.00 -1.25 -4.68 117.44 113.70 1xsi n TRP 118 Ca 0.36 0.50 0.01 0.00 -0.00 0.00 0.00 57.50 58.37 1xsi n TRP 118 Cb 0.36 -2.18 -0.05 0.00 -0.00 0.00 0.00 31.31 29.44 1xsi n TRP 118 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xsi s SER 119 N -0.93 -0.25 -0.25 5.87 0.15 -1.26 -4.13 113.70 112.90 1xsi s SER 119 Ca 0.68 0.37 -0.07 0.00 0.70 0.00 0.00 55.95 57.62 1xsi s SER 119 Cb -0.50 1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.96 1xsi s SER 119 CO 0.54 -0.06 0.07 -0.22 1.20 0.00 0.00 173.24 174.77 1xsi s LEU 120 N 1.56 3.46 -0.03 3.45 0.20 -0.68 -1.08 118.68 125.56 1xsi s LEU 120 Ca -0.05 -0.20 0.07 0.00 0.69 0.00 0.00 54.13 54.64 1xsi s LEU 120 Cb -0.03 -1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 43.79 1xsi s LEU 120 CO -0.14 -0.03 -0.24 -1.81 -0.29 0.00 0.00 176.35 173.84 1xsi s ASP 121 N 1.60 2.87 -0.19 3.68 1.01 -0.17 -0.88 116.67 124.58 1xsi s ASP 121 Ca 0.06 -0.45 -0.06 0.00 0.71 0.00 0.00 52.55 52.81 1xsi s ASP 121 Cb -0.15 -0.47 -0.03 0.00 1.01 0.00 0.00 42.92 43.28 1xsi s ASP 121 CO 0.04 0.28 0.03 -0.36 0.21 0.00 0.00 175.17 175.36 1xsi s PHE 122 N -0.43 3.11 -0.04 4.23 0.08 -0.41 -0.12 117.98 124.40 1xsi s PHE 122 Ca 0.05 -0.23 0.06 0.00 0.12 0.00 0.00 56.93 56.93 1xsi s PHE 122 Cb -0.11 -2.08 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1xsi s PHE 122 CO 0.00 -0.08 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.29 1xsi s LEU 123 N 0.77 2.04 -0.27 -0.37 2.01 0.61 -0.75 118.68 122.72 1xsi s LEU 123 Ca 0.02 -0.46 -0.06 0.00 0.01 0.00 0.00 54.13 53.63 1xsi s LEU 123 Cb -0.14 -1.26 -0.00 0.00 0.01 0.00 0.00 46.19 44.80 1xsi s LEU 123 CO 0.02 0.25 0.05 -0.60 1.01 0.00 0.00 176.35 177.08 1xsi s ARG 124 N -0.29 3.26 -1.51 1.70 3.52 0.81 -0.78 118.95 125.66 1xsi s ARG 124 Ca 0.01 -0.73 -0.04 0.00 -0.13 0.00 0.00 55.73 54.84 1xsi s ARG 124 Cb -0.12 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.00 1xsi s ARG 124 CO 0.02 -0.34 0.09 0.09 -0.81 0.00 0.00 175.30 174.34 1xsi n ASN 125 N 4.86 0.34 0.00 -2.12 3.02 -0.61 -0.68 115.26 120.07 1xsi n ASN 125 Ca -0.16 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 1xsi n ASN 125 Cb 0.49 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 1xsi n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsi n GLY 126 N -2.53 0.55 3.80 7.41 0.00 -1.26 -5.01 105.19 108.16 1xsi n GLY 126 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1xsi n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xsi s GLU 127 N -0.46 3.86 -0.27 1.61 2.02 0.15 -5.00 118.70 120.61 1xsi s GLU 127 Ca 0.00 -0.10 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 1xsi s GLU 127 Cb 0.00 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1xsi s GLU 127 CO 0.00 0.52 1.22 0.50 0.02 0.00 0.00 175.26 177.53 1xsi s ARG 128 N -0.32 4.04 -0.07 1.61 3.52 -1.26 -0.14 118.95 126.33 1xsi s ARG 128 Ca 0.13 1.29 0.18 0.00 -0.13 0.00 0.00 55.73 57.20 1xsi s ARG 128 Cb -0.12 -3.81 -0.23 0.00 -1.56 0.00 0.00 34.95 29.23 1xsi s ARG 128 CO 0.02 -0.95 0.43 0.44 -0.81 0.00 0.00 175.30 174.43 1xsi n ILE 129 N 5.90 1.09 -3.58 4.11 -5.35 0.08 -4.95 119.36 116.66 1xsi n ILE 129 Ca 0.14 -0.74 -0.02 0.00 -0.27 0.00 0.00 62.75 61.86 1xsi n ILE 129 Cb 0.46 -0.51 0.01 0.00 -1.74 0.00 0.00 39.64 37.86 1xsi n ILE 129 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1xsi n THR 130 N -2.73 0.00 0.00 7.28 5.66 -1.21 -4.87 114.28 118.41 1xsi n THR 130 Ca -0.19 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 1xsi n THR 130 Cb 0.94 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 1xsi n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsi n GLY 131 N -0.30 1.23 3.38 1.09 0.00 -1.26 -1.29 105.19 108.04 1xsi n GLY 131 Ca -0.01 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 1xsi n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsi s SER 132 N 0.00 4.22 0.53 1.61 0.15 -0.06 -0.95 113.70 119.20 1xsi s SER 132 Ca 0.00 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.30 1xsi s SER 132 Cb 0.00 -1.67 -0.01 0.00 -1.71 0.00 0.00 66.02 62.63 1xsi s SER 132 CO 0.00 0.12 0.82 -1.10 1.20 0.00 0.00 173.24 174.28 1xsi s GLN 133 N 0.63 3.11 0.05 5.44 -0.21 -1.26 -1.69 119.66 125.72 1xsi s GLN 133 Ca -0.05 -0.07 -0.36 0.00 0.02 0.00 0.00 55.36 54.89 1xsi s GLN 133 Cb -0.15 -2.37 -0.16 0.00 1.00 0.00 0.00 33.01 31.34 1xsi s GLN 133 CO 0.03 -0.48 1.48 1.55 -2.12 0.00 0.00 175.29 175.75 1xsi n VAL 134 N -2.38 0.07 -1.03 1.09 3.14 -1.26 -1.13 118.33 116.83 1xsi n VAL 134 Ca 0.03 -0.01 -0.01 0.00 -2.96 0.00 0.00 64.34 61.39 1xsi n VAL 134 Cb 0.57 -1.10 -0.00 0.00 -1.06 0.00 0.00 33.84 32.24 1xsi n VAL 134 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1xsi n LYS 135 N 3.30 -0.17 -0.20 1.45 5.02 -1.26 -4.89 118.16 121.40 1xsi n LYS 135 Ca 0.19 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.87 1xsi n LYS 135 Cb 0.21 -3.64 0.20 0.00 -0.02 0.00 0.00 35.03 31.78 1xsi n LYS 135 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xsi n ASN 136 N 0.73 3.27 -4.25 4.39 3.02 -0.29 -4.94 115.26 117.19 1xsi n ASN 136 Ca -0.01 -1.93 -0.14 0.00 -0.03 0.00 0.00 54.58 52.47 1xsi n ASN 136 Cb 0.06 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 1xsi n ASN 136 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsi s ASN 137 N -1.20 0.92 0.00 6.41 2.20 -1.26 -0.94 114.94 121.06 1xsi s ASN 137 Ca 0.34 -1.30 0.00 0.00 -0.94 0.00 0.00 52.86 50.96 1xsi s ASN 137 Cb 0.19 0.20 0.00 0.00 -2.00 0.00 0.00 41.25 39.64 1xsi s ASN 137 CO 0.26 -0.70 0.00 0.61 -2.94 0.00 0.00 177.10 174.33 1xsi n GLY 138 N -0.32 0.43 3.38 0.45 0.00 -0.18 -4.36 105.19 104.59 1xsi n GLY 138 Ca -0.02 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 1xsi n GLY 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xsi s TYR 139 N -4.00 2.55 -0.17 1.61 5.04 -0.46 -1.21 117.35 120.71 1xsi s TYR 139 Ca 0.00 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.25 1xsi s TYR 139 Cb 0.00 -1.60 0.02 0.00 0.35 0.00 0.00 41.96 40.73 1xsi s TYR 139 CO 0.00 0.01 -0.19 0.08 -1.34 0.00 0.00 175.55 174.11 1xsi s VAL 140 N -0.50 1.98 -0.45 3.14 1.01 -0.17 -1.78 120.40 123.64 1xsi s VAL 140 Ca 0.06 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 1xsi s VAL 140 Cb -0.11 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.53 1xsi s VAL 140 CO 0.01 0.53 0.35 -1.58 0.00 0.00 0.00 175.10 174.41 1xsi s GLN 141 N 1.30 2.96 -0.47 2.72 0.74 -0.19 -0.66 119.66 126.05 1xsi s GLN 141 Ca 0.04 -1.23 -0.25 0.00 0.05 0.00 0.00 55.36 53.98 1xsi s GLN 141 Cb -0.13 -4.05 0.03 0.00 1.10 0.00 0.00 33.01 29.95 1xsi s GLN 141 CO -0.12 -0.92 0.91 0.34 -0.55 0.00 0.00 175.29 174.95 1xsi s ASP 142 N 2.22 6.46 0.20 6.67 -1.08 0.90 -1.43 116.67 130.61 1xsi s ASP 142 Ca 0.04 0.01 0.26 0.00 -0.52 0.00 0.00 52.55 52.34 1xsi s ASP 142 Cb -0.22 -2.44 0.72 0.00 -1.46 0.00 0.00 42.92 39.52 1xsi s ASP 142 CO 0.08 -1.06 1.69 0.41 0.52 0.00 0.00 175.17 176.81 1xsi n THR 143 N 6.35 0.56 0.21 1.71 -1.04 -0.21 -0.83 114.28 121.02 1xsi n THR 143 Ca 0.05 -0.29 0.10 0.00 -2.04 0.00 0.00 64.05 61.88 1xsi n THR 143 Cb 0.48 -0.50 0.16 0.00 -1.82 0.00 0.00 70.33 68.65 1xsi n THR 143 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1xsi h ASN 144 N 0.00 0.00 0.00 8.00 2.35 -1.90 -3.38 115.58 120.65 1xsi h ASN 144 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xsi h ASN 144 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1xsi h ASN 144 CO 0.00 0.09 0.00 -0.46 -1.65 0.00 0.00 177.43 175.41 1xsi n ASN 145 N -3.13 0.00 -1.91 5.81 0.23 -1.23 -5.03 115.26 110.01 1xsi n ASN 145 Ca 0.03 -1.00 -0.18 0.00 -0.53 0.00 0.00 54.58 52.90 1xsi n ASN 145 Cb 0.56 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.21 1xsi n ASN 145 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsi n GLN 146 N 0.00 -1.60 -3.72 -3.83 1.13 -0.01 -5.00 117.38 104.35 1xsi n GLN 146 Ca 0.00 0.99 -0.33 0.00 -1.94 0.00 0.00 57.00 55.72 1xsi n GLN 146 Cb 0.34 -5.46 -0.05 0.00 0.11 0.00 0.00 30.24 25.18 1xsi n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xsi s ARG 147 N -4.18 3.60 -0.01 -1.09 0.52 -1.05 -4.92 118.95 111.82 1xsi s ARG 147 Ca 0.00 -0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.18 1xsi s ARG 147 Cb 0.00 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 1xsi s ARG 147 CO 0.00 0.55 -0.21 -0.80 0.02 0.00 0.00 175.30 174.86 1xsi s ASN 148 N -2.13 2.51 0.10 0.23 0.01 -1.26 -0.07 114.94 114.33 1xsi s ASN 148 Ca 0.35 -0.41 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 1xsi s ASN 148 Cb -0.13 -0.27 -0.03 0.00 0.41 0.00 0.00 41.25 41.23 1xsi s ASN 148 CO 0.22 0.25 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.62 1xsi s TYR 149 N -0.54 1.19 0.07 2.20 2.02 0.17 -3.10 117.35 119.36 1xsi s TYR 149 Ca 0.08 -0.57 0.05 0.00 -0.37 0.00 0.00 57.07 56.26 1xsi s TYR 149 Cb -0.08 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 1xsi s TYR 149 CO -0.00 0.06 -0.02 -1.64 -1.57 0.00 0.00 175.55 172.37 1xsi s MET 150 N -2.42 2.51 0.04 -0.62 -1.94 -0.71 -1.00 119.30 115.15 1xsi s MET 150 Ca 0.04 -0.83 -0.14 0.00 -1.71 0.00 0.00 55.69 53.05 1xsi s MET 150 Cb -0.06 -2.51 0.02 0.00 2.01 0.00 0.00 34.83 34.29 1xsi s MET 150 CO 0.02 0.55 0.31 -0.59 -0.01 0.00 0.00 175.02 175.29 1xsi s PHE 151 N -1.24 -0.11 0.03 -0.03 -0.71 -0.35 -1.65 117.98 113.92 1xsi s PHE 151 Ca 0.23 0.00 0.00 0.00 -1.04 0.00 0.00 56.93 56.13 1xsi s PHE 151 Cb -0.11 0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.77 1xsi s PHE 151 CO 0.16 -0.49 -0.04 -2.00 -1.34 0.00 0.00 175.22 171.50 1xsi s GLU 152 N -2.44 0.37 -0.17 1.99 2.56 -0.48 -1.01 118.70 119.53 1xsi s GLU 152 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 54.97 54.25 1xsi s GLU 152 Cb -0.01 0.02 0.04 0.00 2.00 0.00 0.00 34.13 36.17 1xsi s GLU 152 CO -0.03 -0.03 -0.11 1.03 -0.56 0.00 0.00 175.26 175.57 1xsi s ARG 153 N -1.57 2.00 -0.14 4.30 0.52 -0.12 -0.41 118.95 123.54 1xsi s ARG 153 Ca -0.14 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 1xsi s ARG 153 Cb -0.09 -2.22 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 1xsi s ARG 153 CO -0.01 -0.36 0.25 -0.51 0.02 0.00 0.00 175.30 174.69 1xsi s LEU 154 N 1.47 4.29 0.53 2.53 1.43 -0.37 -4.33 118.68 124.23 1xsi s LEU 154 Ca 0.01 0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 53.41 1xsi s LEU 154 Cb -0.15 -2.29 -0.06 0.00 0.03 0.00 0.00 46.19 43.72 1xsi s LEU 154 CO -0.09 0.20 1.21 -1.81 0.23 0.00 0.00 176.35 176.09 1xsi s ASP 155 N 0.00 5.65 -0.11 2.29 1.01 -0.12 -0.41 116.67 124.98 1xsi s ASP 155 Ca 0.15 2.40 0.02 0.00 0.71 0.00 0.00 52.55 55.84 1xsi s ASP 155 Cb -0.13 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.18 1xsi s ASP 155 CO 0.04 -1.28 -0.17 -0.76 0.21 0.00 0.00 175.17 173.20 1xsi s LEU 156 N -3.53 2.49 0.80 1.23 1.43 0.34 -4.60 118.68 116.84 1xsi s LEU 156 Ca 0.70 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.30 1xsi s LEU 156 Cb -0.31 -1.53 0.09 0.00 0.03 0.00 0.00 46.19 44.47 1xsi s LEU 156 CO 0.36 0.19 1.16 -0.83 0.23 0.00 0.00 176.35 177.46 1xsi s GLY 157 N 0.18 1.62 -0.09 -3.19 0.00 -1.26 -4.77 107.32 99.81 1xsi s GLY 157 Ca -0.10 -0.75 -0.39 0.00 0.00 0.00 0.00 44.72 43.48 1xsi s GLY 157 CO 0.06 -0.25 1.48 -0.62 0.00 0.00 0.00 173.10 173.77 1xsi n VAL 158 N -3.29 0.12 -1.48 1.40 0.31 -1.26 -1.62 118.33 112.51 1xsi n VAL 158 Ca 0.09 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.26 1xsi n VAL 158 Cb 0.61 -0.88 -0.05 0.00 -0.91 0.00 0.00 33.84 32.60 1xsi n VAL 158 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsi n GLY 159 N 3.15 1.28 3.65 2.92 0.00 -1.26 -5.00 105.19 109.93 1xsi n GLY 159 Ca 0.22 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1xsi n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsi s GLU 160 N -3.31 4.17 0.16 1.61 2.12 -0.64 -4.97 118.70 117.84 1xsi s GLU 160 Ca 0.00 0.38 0.09 0.00 0.36 0.00 0.00 54.97 55.80 1xsi s GLU 160 Cb 0.00 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1xsi s GLU 160 CO 0.00 -0.18 -0.15 0.95 -0.54 0.00 0.00 175.26 175.35 1xsi s THR 161 N 1.73 2.95 -0.04 -1.70 -4.23 -1.26 -4.87 115.64 108.22 1xsi s THR 161 Ca 0.23 -1.65 0.06 0.00 -1.18 0.00 0.00 61.69 59.15 1xsi s THR 161 Cb -0.15 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 1xsi s THR 161 CO 0.09 -0.03 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.25 1xsi s VAL 162 N -1.49 2.50 0.09 2.29 1.01 -1.26 -2.09 120.40 121.46 1xsi s VAL 162 Ca 0.22 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1xsi s VAL 162 Cb -0.09 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1xsi s VAL 162 CO 0.13 0.58 -0.06 -0.31 0.00 0.00 0.00 175.10 175.44 1xsi s TYR 163 N -0.59 0.84 0.00 5.22 2.02 -0.17 0.47 117.35 125.15 1xsi s TYR 163 Ca 0.09 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 1xsi s TYR 163 Cb -0.11 -0.50 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 1xsi s TYR 163 CO 0.00 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 1xsi n GLY 164 N 0.05 0.77 2.38 0.71 0.00 -1.26 -1.55 105.19 106.28 1xsi n GLY 164 Ca -0.13 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 1xsi n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xsi n LEU 165 N 0.00 -1.35 0.00 0.99 4.77 0.16 -4.82 117.00 116.76 1xsi n LEU 165 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1xsi n LEU 165 Cb 0.00 -2.24 0.00 0.00 -2.33 0.00 0.00 43.42 38.85 1xsi n LEU 165 CO 0.00 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1xsi n GLY 166 N -1.07 -1.41 3.53 -0.72 0.00 -1.24 -3.52 105.19 100.76 1xsi n GLY 166 Ca -0.16 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 1xsi n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsi s GLU 167 N -0.03 3.30 0.16 1.61 2.12 -0.83 -4.04 118.70 120.98 1xsi s GLU 167 Ca 0.00 -0.22 0.07 0.00 0.36 0.00 0.00 54.97 55.19 1xsi s GLU 167 Cb 0.00 -4.11 -0.04 0.00 0.26 0.00 0.00 34.13 30.23 1xsi s GLU 167 CO 0.00 -1.81 -0.16 1.03 -0.54 0.00 0.00 175.26 173.78 1xsi s ARG 168 N 4.83 1.19 0.00 4.30 0.52 -1.26 -4.51 118.95 124.01 1xsi s ARG 168 Ca 0.34 -1.39 0.04 0.00 -0.52 0.00 0.00 55.73 54.20 1xsi s ARG 168 Cb -0.10 -1.11 0.06 0.00 0.52 0.00 0.00 34.95 34.31 1xsi s ARG 168 CO 0.18 0.21 0.81 1.19 0.02 0.00 0.00 175.30 177.71 1xsi n PHE 169 N 0.21 0.06 -1.57 -0.53 3.72 -1.26 -3.32 117.46 114.77 1xsi n PHE 169 Ca -0.13 -0.20 -0.27 0.00 -0.05 0.00 0.00 57.45 56.80 1xsi n PHE 169 Cb 0.58 -0.02 0.20 0.00 -0.94 0.00 0.00 39.48 39.30 1xsi n PHE 169 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1xsi n THR 170 N 0.06 0.00 -1.49 4.37 -2.24 -1.26 -4.84 114.28 108.87 1xsi n THR 170 Ca 0.03 -0.75 -0.45 0.00 -2.27 0.00 0.00 64.05 60.61 1xsi n THR 170 Cb 0.18 -1.45 -0.01 0.00 -2.10 0.00 0.00 70.33 66.95 1xsi n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xsi n ALA 171 N -4.08 -1.43 0.24 6.98 0.00 -1.26 -4.87 120.51 116.09 1xsi n ALA 171 Ca -0.19 0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.43 1xsi n ALA 171 Cb 0.53 -1.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 1xsi n ALA 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xsi h LEU 172 N 1.32 -0.62 -9.44 0.00 5.85 -1.93 -3.40 115.31 107.10 1xsi h LEU 172 Ca -0.36 0.04 -0.54 0.00 0.84 0.00 0.00 57.88 57.86 1xsi h LEU 172 Cb 1.39 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1xsi h LEU 172 CO 0.57 -0.39 0.43 -0.69 -0.34 0.00 0.00 178.44 178.02 1xsi s VAL 173 N -6.08 4.58 -0.71 1.05 1.01 -1.26 -4.65 120.40 114.34 1xsi s VAL 173 Ca -0.16 1.86 0.25 0.00 0.00 0.00 0.00 61.98 63.93 1xsi s VAL 173 Cb 0.05 -4.19 0.20 0.00 0.00 0.00 0.00 36.38 32.44 1xsi s VAL 173 CO 0.64 0.15 1.61 0.54 0.00 0.00 0.00 175.10 178.04 1xsi n ARG 174 N 3.89 0.27 -1.73 2.72 3.00 0.18 -4.88 116.66 120.10 1xsi n ARG 174 Ca 0.07 0.16 -0.42 0.00 -0.01 0.00 0.00 57.85 57.66 1xsi n ARG 174 Cb 0.49 -1.76 -0.02 0.00 0.00 0.00 0.00 32.46 31.17 1xsi n ARG 174 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1xsi n ASN 175 N -2.19 3.97 0.00 0.55 4.13 -1.26 -1.54 115.26 118.92 1xsi n ASN 175 Ca 0.05 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.40 1xsi n ASN 175 Cb 0.43 -1.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.08 1xsi n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xsi n GLY 176 N 3.22 1.44 3.68 7.41 0.00 0.21 -5.00 105.19 116.16 1xsi n GLY 176 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1xsi n GLY 176 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xsi s GLN 177 N -0.69 2.51 0.07 1.61 -2.07 -0.59 -4.59 119.66 115.91 1xsi s GLN 177 Ca 0.00 -0.90 -0.19 0.00 -1.82 0.00 0.00 55.36 52.45 1xsi s GLN 177 Cb 0.00 -2.50 -0.07 0.00 -1.09 0.00 0.00 33.01 29.36 1xsi s GLN 177 CO 0.00 0.52 0.56 -0.08 -1.32 0.00 0.00 175.29 174.97 1xsi s THR 178 N -1.40 4.76 -0.04 3.63 -1.32 -1.26 -1.30 115.64 118.71 1xsi s THR 178 Ca 0.26 1.18 0.00 0.00 -1.21 0.00 0.00 61.69 61.93 1xsi s THR 178 Cb -0.11 -3.88 0.03 0.00 -1.51 0.00 0.00 72.50 67.02 1xsi s THR 178 CO 0.18 0.55 -0.01 0.54 -2.21 0.00 0.00 174.62 173.67 1xsi s VAL 179 N -1.12 0.31 -0.23 5.08 0.11 -0.25 -5.00 120.40 119.31 1xsi s VAL 179 Ca 0.29 0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.28 1xsi s VAL 179 Cb -0.19 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1xsi s VAL 179 CO 0.19 0.18 0.09 -1.61 -3.33 0.00 0.00 175.10 170.62 1xsi s GLU 180 N 1.08 3.84 -1.01 1.54 0.41 -1.26 0.35 118.70 123.66 1xsi s GLU 180 Ca -0.09 -0.39 -0.20 0.00 -0.41 0.00 0.00 54.97 53.88 1xsi s GLU 180 Cb -0.14 -3.34 0.09 0.00 -1.78 0.00 0.00 34.13 28.96 1xsi s GLU 180 CO -0.01 0.01 1.33 0.95 -0.49 0.00 0.00 175.26 177.04 1xsi s THR 181 N 1.12 4.33 -0.18 3.63 -4.23 -0.20 -4.88 115.64 115.23 1xsi s THR 181 Ca 0.05 -1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1xsi s THR 181 Cb -0.14 -4.94 0.09 0.00 1.34 0.00 0.00 72.50 68.84 1xsi s THR 181 CO 0.04 -1.74 0.26 0.86 -0.54 0.00 0.00 174.62 173.49 1xsi s TRP 182 N 3.78 -0.42 0.27 3.99 -0.11 -1.26 -3.98 118.94 121.22 1xsi s TRP 182 Ca 0.41 0.63 -0.30 0.00 1.22 0.00 0.00 56.10 58.05 1xsi s TRP 182 Cb -0.02 -0.17 -0.11 0.00 -1.50 0.00 0.00 33.47 31.67 1xsi s TRP 182 CO -0.08 -0.51 1.57 -0.80 -4.62 0.00 0.00 176.95 172.51 1xsi s ASN 183 N 2.40 6.44 0.04 5.86 0.01 -1.26 -4.69 114.94 123.74 1xsi s ASN 183 Ca 0.05 2.87 -0.02 0.00 -0.71 0.00 0.00 52.86 55.05 1xsi s ASN 183 Cb -0.14 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 38.86 1xsi s ASN 183 CO -0.11 -0.87 0.00 -0.13 -1.51 0.00 0.00 177.10 174.48 1xsi s ARG 184 N -0.24 0.54 -0.93 -0.60 0.52 0.05 -4.62 118.95 113.67 1xsi s ARG 184 Ca 0.64 -0.96 -0.13 0.00 -0.52 0.00 0.00 55.73 54.75 1xsi s ARG 184 Cb -0.47 0.19 0.23 0.00 0.52 0.00 0.00 34.95 35.42 1xsi s ARG 184 CO 0.45 -0.11 0.92 0.34 0.02 0.00 0.00 175.30 176.91 1xsi s ASP 185 N -2.39 6.91 0.00 0.23 -1.08 -1.26 -3.26 116.67 115.82 1xsi s ASP 185 Ca -0.01 -2.89 0.04 0.00 -0.52 0.00 0.00 52.55 49.17 1xsi s ASP 185 Cb 0.02 -2.23 0.08 0.00 -1.46 0.00 0.00 42.92 39.32 1xsi s ASP 185 CO -0.07 -0.55 0.92 0.61 0.52 0.00 0.00 175.17 176.61 1xsi n GLY 186 N 3.77 1.49 7.00 2.66 0.00 -1.26 -5.10 105.19 113.75 1xsi n GLY 186 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1xsi n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsi n GLY 187 N -0.01 -0.84 0.40 -0.02 0.00 -1.26 -4.42 105.19 99.03 1xsi n GLY 187 Ca 0.03 -1.18 0.04 0.00 0.00 0.00 0.00 46.02 44.91 1xsi n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xsi n THR 188 N -0.00 0.66 -0.12 2.61 -2.24 -1.24 -4.69 114.28 109.27 1xsi n THR 188 Ca 0.00 -0.83 0.04 0.00 -2.27 0.00 0.00 64.05 60.99 1xsi n THR 188 Cb 0.00 0.73 0.11 0.00 -2.10 0.00 0.00 70.33 69.07 1xsi n THR 188 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsi n SER 189 N 0.28 2.68 -3.02 3.42 7.64 -1.26 -4.77 113.62 118.59 1xsi n SER 189 Ca 0.07 -1.97 -0.16 0.00 1.01 0.00 0.00 58.87 57.81 1xsi n SER 189 Cb 0.31 -0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.29 1xsi n SER 189 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xsi n THR 190 N 0.29 0.00 0.72 0.44 -2.24 -1.26 -5.01 114.28 107.22 1xsi n THR 190 Ca 0.09 -1.58 0.08 0.00 -2.27 0.00 0.00 64.05 60.36 1xsi n THR 190 Cb 0.38 0.59 0.40 0.00 -2.10 0.00 0.00 70.33 69.60 1xsi n THR 190 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xsi n GLU 191 N -0.59 0.17 -2.15 -0.78 0.00 -1.26 -4.49 120.64 111.53 1xsi n GLU 191 Ca -0.03 0.16 -0.29 0.00 0.00 0.00 0.00 57.16 56.99 1xsi n GLU 191 Cb 0.41 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.36 1xsi n GLU 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xsi s GLN 192 N -2.70 3.38 -0.05 3.44 -0.21 -1.26 -4.90 119.66 117.36 1xsi s GLN 192 Ca 0.13 0.46 -0.05 0.00 0.02 0.00 0.00 55.36 55.92 1xsi s GLN 192 Cb 0.11 -2.18 0.01 0.00 1.00 0.00 0.00 33.01 31.96 1xsi s GLN 192 CO 0.27 -0.56 0.15 0.00 -2.12 0.00 0.00 175.29 173.02 1xsi s ALA 193 N -3.07 -0.37 0.25 6.09 0.00 -1.26 -4.69 121.76 118.72 1xsi s ALA 193 Ca 0.53 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.92 1xsi s ALA 193 Cb -0.11 -0.23 0.32 0.00 0.00 0.00 0.00 23.12 23.10 1xsi s ALA 193 CO 0.50 -0.08 1.62 1.88 0.00 0.00 0.00 175.76 179.68 1xsi h TYR 194 N 5.81 0.40 -3.58 0.00 0.05 -1.80 0.18 116.97 118.03 1xsi h TYR 194 Ca -0.25 -0.12 -0.64 0.00 0.05 0.00 0.00 58.73 57.76 1xsi h TYR 194 Cb 1.20 -0.08 -0.40 0.00 1.01 0.00 0.00 36.73 38.46 1xsi h TYR 194 CO 0.42 0.75 -0.73 0.15 -1.05 0.00 0.00 178.16 177.69 1xsi s LYS 195 N -4.04 1.33 -0.02 4.88 1.02 -1.26 -3.84 119.74 117.80 1xsi s LYS 195 Ca -0.05 -1.69 -0.01 0.00 0.02 0.00 0.00 55.97 54.24 1xsi s LYS 195 Cb 0.13 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1xsi s LYS 195 CO 0.80 -0.94 0.07 -0.80 -0.92 0.00 0.00 175.35 173.56 1xsi s ASN 196 N 1.06 5.66 -0.14 2.83 0.01 -1.23 -1.97 114.94 121.16 1xsi s ASN 196 Ca 0.10 0.17 -0.04 0.00 -0.71 0.00 0.00 52.86 52.38 1xsi s ASN 196 Cb -0.19 -1.64 0.07 0.00 0.41 0.00 0.00 41.25 39.91 1xsi s ASN 196 CO -0.12 0.30 0.21 -0.63 -1.51 0.00 0.00 177.10 175.35 1xsi s ILE 197 N -1.14 -0.33 0.00 0.60 -1.09 -1.23 -4.31 121.20 113.70 1xsi s ILE 197 Ca 0.21 0.18 -0.04 0.00 -2.23 0.00 0.00 60.65 58.77 1xsi s ILE 197 Cb -0.12 -0.47 -0.17 0.00 -1.58 0.00 0.00 42.46 40.12 1xsi s ILE 197 CO 0.12 0.03 2.86 -0.81 -1.23 0.00 0.00 174.94 175.91 1xsi n PRO 198 N 5.33 1.53 -5.21 2.79 -0.04 -1.26 -3.62 135.00 134.53 1xsi n PRO 198 Ca -0.05 -0.64 -0.32 0.00 -0.04 0.00 0.00 63.50 62.46 1xsi n PRO 198 Cb 0.50 -1.69 -0.17 0.00 -0.04 0.00 0.00 33.50 32.10 1xsi n PRO 198 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xsi s PHE 199 N 0.92 2.48 0.17 0.54 5.36 -1.26 -0.85 117.98 125.33 1xsi s PHE 199 Ca 0.43 -0.94 0.06 0.00 -0.96 0.00 0.00 56.93 55.52 1xsi s PHE 199 Cb 0.20 -1.65 -0.04 0.00 -0.34 0.00 0.00 43.02 41.19 1xsi s PHE 199 CO 0.00 -0.36 -0.12 1.52 -1.46 0.00 0.00 175.22 174.81 1xsi s TYR 200 N 0.21 1.41 0.11 10.12 -0.85 -0.64 0.40 117.35 128.11 1xsi s TYR 200 Ca -0.14 -0.70 0.00 0.00 -0.52 0.00 0.00 57.07 55.71 1xsi s TYR 200 Cb -0.17 -0.69 -0.04 0.00 0.38 0.00 0.00 41.96 41.44 1xsi s TYR 200 CO 0.07 0.17 -0.01 0.00 -1.52 0.00 0.00 175.55 174.27 1xsi s MET 201 N -3.71 0.85 0.37 -3.49 0.23 -0.60 -0.61 119.30 112.35 1xsi s MET 201 Ca 0.18 -1.37 0.04 0.00 -1.03 0.00 0.00 55.69 53.52 1xsi s MET 201 Cb 0.01 0.03 -0.06 0.00 -1.53 0.00 0.00 34.83 33.28 1xsi s MET 201 CO 0.03 -0.13 0.05 0.95 -2.03 0.00 0.00 175.02 173.88 1xsi s THR 202 N -3.83 1.37 -1.62 3.16 -4.23 -0.90 -1.00 115.64 108.59 1xsi s THR 202 Ca 0.16 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 1xsi s THR 202 Cb 0.07 -2.76 0.04 0.00 1.34 0.00 0.00 72.50 71.18 1xsi s THR 202 CO -0.03 0.00 0.86 -0.46 -0.54 0.00 0.00 174.62 174.45 1xsi n ASN 203 N -0.88 0.59 -1.15 3.99 6.94 -0.89 -2.39 115.26 121.47 1xsi n ASN 203 Ca -0.05 -2.02 0.12 0.00 -0.02 0.00 0.00 54.58 52.61 1xsi n ASN 203 Cb 0.67 -0.20 0.22 0.00 -2.36 0.00 0.00 39.78 38.10 1xsi n ASN 203 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1xsi n ARG 204 N -0.23 2.50 -2.78 -3.83 0.63 -1.26 -4.97 116.66 106.72 1xsi n ARG 204 Ca 0.01 -2.30 -0.08 0.00 -0.92 0.00 0.00 57.85 54.56 1xsi n ARG 204 Cb 0.13 -1.51 0.03 0.00 0.45 0.00 0.00 32.46 31.56 1xsi n ARG 204 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xsi n GLY 205 N 1.48 0.33 3.23 5.14 0.00 -1.00 -4.97 105.19 109.39 1xsi n GLY 205 Ca 0.19 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1xsi n GLY 205 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xsi s TYR 206 N -3.12 0.38 0.23 1.61 -0.85 -1.26 -1.71 117.35 112.63 1xsi s TYR 206 Ca 0.15 -0.80 0.03 0.00 -0.52 0.00 0.00 57.07 55.93 1xsi s TYR 206 Cb -0.06 -0.16 -0.05 0.00 0.38 0.00 0.00 41.96 42.07 1xsi s TYR 206 CO 0.26 -0.58 0.03 0.20 -1.52 0.00 0.00 175.55 173.95 1xsi s GLY 207 N -2.93 1.57 -0.06 5.49 0.00 0.17 -2.12 107.32 109.43 1xsi s GLY 207 Ca 0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 43.04 1xsi s GLY 207 CO -0.05 -1.63 0.14 0.54 0.00 0.00 0.00 173.10 172.10 1xsi s VAL 208 N -3.56 -0.05 -0.21 1.40 0.11 0.22 -0.19 120.40 118.12 1xsi s VAL 208 Ca 0.31 0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 59.48 1xsi s VAL 208 Cb 0.07 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 1xsi s VAL 208 CO 0.09 0.07 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.70 1xsi s LEU 209 N 1.11 3.11 -0.26 2.54 2.96 -0.35 -1.62 118.68 126.17 1xsi s LEU 209 Ca -0.09 -0.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.37 1xsi s LEU 209 Cb -0.11 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1xsi s LEU 209 CO -0.05 0.02 0.44 -0.69 -1.32 0.00 0.00 176.35 174.74 1xsi s VAL 210 N 1.28 5.13 -1.10 1.68 1.01 -0.03 -0.40 120.40 127.96 1xsi s VAL 210 Ca 0.04 0.72 -0.06 0.00 0.00 0.00 0.00 61.98 62.67 1xsi s VAL 210 Cb -0.15 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1xsi s VAL 210 CO 0.00 0.13 2.75 -3.20 0.00 0.00 0.00 175.10 174.79 1xsi n ASN 211 N 5.37 7.65 -3.67 3.32 5.15 0.30 -4.77 115.26 128.60 1xsi n ASN 211 Ca -0.06 -2.93 -0.24 0.00 -0.60 0.00 0.00 54.58 50.75 1xsi n ASN 211 Cb 0.50 -1.40 -0.17 0.00 -0.53 0.00 0.00 39.78 38.18 1xsi n ASN 211 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1xsi s HIS 212 N -0.13 0.34 -0.60 1.20 3.76 -1.26 -4.80 115.29 113.80 1xsi s HIS 212 Ca 0.61 -0.18 0.25 0.00 -0.15 0.00 0.00 55.06 55.59 1xsi s HIS 212 Cb 0.23 -0.69 0.86 0.00 1.11 0.00 0.00 32.58 34.10 1xsi s HIS 212 CO -0.10 -0.39 1.76 -1.35 -0.85 0.00 0.00 174.74 173.81 1xsi h PRO 213 N 8.39 0.00 -7.33 8.40 0.11 -1.88 -3.44 132.00 136.24 1xsi h PRO 213 Ca -0.15 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.56 1xsi h PRO 213 Cb 1.13 0.00 0.20 0.00 0.11 0.00 0.00 31.00 32.44 1xsi h PRO 213 CO 0.25 0.00 0.08 -0.65 -0.21 0.00 0.00 178.00 177.46 1xsi s GLN 214 N -3.20 -1.79 0.03 1.05 1.11 -1.26 -4.45 119.66 111.15 1xsi s GLN 214 Ca 0.08 -0.12 -0.33 0.00 0.01 0.00 0.00 55.36 55.00 1xsi s GLN 214 Cb 0.11 -1.53 -0.12 0.00 -1.01 0.00 0.00 33.01 30.46 1xsi s GLN 214 CO 0.54 -4.08 1.82 0.00 0.01 0.00 0.00 175.29 173.58 1xsi s VAL 216 N 3.16 4.46 -0.39 0.00 1.01 -1.26 -4.57 120.40 122.82 1xsi s VAL 216 Ca 0.87 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 1xsi s VAL 216 Cb -0.60 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1xsi s VAL 216 CO 0.44 0.54 0.27 -0.55 0.00 0.00 0.00 175.10 175.81 1xsi s SER 217 N -0.30 6.02 -0.14 3.32 0.15 -0.43 -1.04 113.70 121.29 1xsi s SER 217 Ca 0.07 -0.84 -0.14 0.00 0.70 0.00 0.00 55.95 55.74 1xsi s SER 217 Cb -0.12 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 62.01 1xsi s SER 217 CO 0.02 -0.40 0.32 -0.36 1.20 0.00 0.00 173.24 174.02 1xsi s PHE 218 N 1.66 3.50 -0.38 3.44 0.40 0.16 -1.83 117.98 124.93 1xsi s PHE 218 Ca 0.05 0.66 -0.02 0.00 -0.60 0.00 0.00 56.93 57.02 1xsi s PHE 218 Cb -0.19 -2.34 0.10 0.00 0.51 0.00 0.00 43.02 41.10 1xsi s PHE 218 CO 0.09 0.29 0.14 -1.21 0.70 0.00 0.00 175.22 175.23 1xsi s GLU 219 N 0.27 2.01 -0.92 0.44 0.41 0.94 -1.09 118.70 120.75 1xsi s GLU 219 Ca 0.18 -1.71 -0.18 0.00 -0.41 0.00 0.00 54.97 52.85 1xsi s GLU 219 Cb -0.14 -3.44 0.15 0.00 -1.78 0.00 0.00 34.13 28.92 1xsi s GLU 219 CO 0.05 -0.96 1.07 0.08 -0.49 0.00 0.00 175.26 175.02 1xsi s VAL 220 N 1.13 4.88 -1.96 2.63 1.01 -0.42 -1.08 120.40 126.58 1xsi s VAL 220 Ca 0.06 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1xsi s VAL 220 Cb -0.22 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.43 1xsi s VAL 220 CO -0.04 -1.43 0.00 0.61 0.00 0.00 0.00 175.10 174.24 1xsi n GLY 221 N 5.22 0.83 0.00 4.51 0.00 -0.13 0.68 105.19 116.30 1xsi n GLY 221 Ca 0.23 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1xsi n GLY 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsi n SER 222 N -1.55 0.56 0.04 1.61 3.41 -1.26 -3.88 113.62 112.55 1xsi n SER 222 Ca -0.22 -0.69 -0.00 0.00 -0.26 0.00 0.00 58.87 57.69 1xsi n SER 222 Cb 0.67 1.02 -0.00 0.00 -0.26 0.00 0.00 64.21 65.64 1xsi n SER 222 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xsi n GLU 223 N -1.25 0.02 -3.66 4.33 2.13 -1.26 -4.94 120.64 116.01 1xsi n GLU 223 Ca 0.02 0.01 -0.38 0.00 0.66 0.00 0.00 57.16 57.46 1xsi n GLU 223 Cb 0.15 -0.46 -0.12 0.00 0.27 0.00 0.00 31.44 31.29 1xsi n GLU 223 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xsi s LYS 224 N -1.87 3.38 0.58 5.31 -0.14 -1.26 -4.97 119.74 120.76 1xsi s LYS 224 Ca -0.01 -0.69 0.35 0.00 -1.36 0.00 0.00 55.97 54.26 1xsi s LYS 224 Cb 0.00 -3.55 1.72 0.00 -1.68 0.00 0.00 37.83 34.32 1xsi s LYS 224 CO 0.02 -0.39 2.13 -0.39 -0.76 0.00 0.00 175.35 175.95 1xsi h VAL 225 N 5.64 0.17 -0.33 3.17 -1.51 -1.92 -2.05 116.25 119.42 1xsi h VAL 225 Ca -0.33 -0.38 -0.11 0.00 -1.23 0.00 0.00 66.70 64.65 1xsi h VAL 225 Cb 1.15 1.31 -0.07 0.00 -2.13 0.00 0.00 31.29 31.56 1xsi h VAL 225 CO 0.61 0.04 -0.01 -1.54 -1.23 0.00 0.00 177.57 175.44 1xsi n SER 226 N -3.24 3.15 -3.99 4.19 3.41 -1.26 -4.48 113.62 111.40 1xsi n SER 226 Ca -0.01 -3.42 -0.08 0.00 -0.26 0.00 0.00 58.87 55.09 1xsi n SER 226 Cb 0.22 -0.60 -0.10 0.00 -0.26 0.00 0.00 64.21 63.47 1xsi n SER 226 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xsi s LYS 227 N -3.06 0.54 -0.42 4.33 3.01 -0.77 -0.50 119.74 122.87 1xsi s LYS 227 Ca 0.44 -0.89 -0.15 0.00 -1.01 0.00 0.00 55.97 54.36 1xsi s LYS 227 Cb 0.38 0.20 0.03 0.00 -1.01 0.00 0.00 37.83 37.43 1xsi s LYS 227 CO 0.04 -0.12 0.32 0.08 0.51 0.00 0.00 175.35 176.18 1xsi s VAL 228 N -2.86 5.23 -0.09 3.17 1.01 0.45 -0.95 120.40 126.37 1xsi s VAL 228 Ca -0.03 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 1xsi s VAL 228 Cb 0.00 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1xsi s VAL 228 CO -0.06 -0.37 0.62 -1.58 0.00 0.00 0.00 175.10 173.71 1xsi s GLN 229 N 1.67 4.40 -0.02 2.72 0.74 -0.24 -1.23 119.66 127.70 1xsi s GLN 229 Ca 0.05 0.72 0.03 0.00 0.05 0.00 0.00 55.36 56.21 1xsi s GLN 229 Cb -0.20 -3.44 -0.00 0.00 1.10 0.00 0.00 33.01 30.46 1xsi s GLN 229 CO 0.09 0.10 -0.10 -0.59 -0.55 0.00 0.00 175.29 174.24 1xsi s PHE 230 N 0.74 0.97 0.05 1.67 -0.12 0.46 -0.04 117.98 121.71 1xsi s PHE 230 Ca 0.33 -0.22 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1xsi s PHE 230 Cb -0.17 -0.66 -0.03 0.00 -0.63 0.00 0.00 43.02 41.53 1xsi s PHE 230 CO 0.15 -0.06 -0.05 -1.54 -0.05 0.00 0.00 175.22 173.67 1xsi s SER 231 N -0.01 0.64 -0.02 1.98 1.04 -0.76 -1.38 113.70 115.19 1xsi s SER 231 Ca 0.00 -0.74 -0.10 0.00 0.48 0.00 0.00 55.95 55.59 1xsi s SER 231 Cb -0.07 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1xsi s SER 231 CO 0.00 -0.39 0.20 0.54 0.98 0.00 0.00 173.24 174.58 1xsi s VAL 232 N -2.51 0.06 -0.75 5.02 0.11 -0.66 -1.32 120.40 120.35 1xsi s VAL 232 Ca -0.03 -0.52 -0.26 0.00 -2.93 0.00 0.00 61.98 58.24 1xsi s VAL 232 Cb -0.02 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 1xsi s VAL 232 CO -0.04 -0.28 1.45 -0.70 -3.33 0.00 0.00 175.10 172.19 1xsi s GLU 233 N -1.13 3.09 -0.08 1.54 2.12 -1.26 -1.74 118.70 121.24 1xsi s GLU 233 Ca -0.12 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.75 1xsi s GLU 233 Cb -0.06 -4.38 0.11 0.00 0.26 0.00 0.00 34.13 30.06 1xsi s GLU 233 CO 0.02 -2.32 0.95 0.45 -0.54 0.00 0.00 175.26 173.82 1xsi s SER 234 N 4.95 -0.35 0.00 -1.70 0.15 -1.18 -4.98 113.70 110.59 1xsi s SER 234 Ca 0.44 0.16 0.27 0.00 0.70 0.00 0.00 55.95 57.52 1xsi s SER 234 Cb -0.08 0.33 0.82 0.00 -1.71 0.00 0.00 66.02 65.38 1xsi s SER 234 CO 0.13 -0.48 1.60 -0.62 1.20 0.00 0.00 173.24 175.07 1xsi n GLU 235 N 0.14 1.24 -4.10 5.44 -0.58 -1.26 -3.40 120.64 118.12 1xsi n GLU 235 Ca -0.09 -0.76 -0.08 0.00 -0.42 0.00 0.00 57.16 55.82 1xsi n GLU 235 Cb 0.60 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.88 1xsi n GLU 235 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1xsi s TYR 236 N -2.28 0.57 -0.07 -0.32 -0.85 -1.26 -1.36 117.35 111.77 1xsi s TYR 236 Ca 0.30 -1.03 0.04 0.00 -0.52 0.00 0.00 57.07 55.85 1xsi s TYR 236 Cb 0.20 -0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.14 1xsi s TYR 236 CO 0.44 -0.34 -0.18 -1.17 -1.52 0.00 0.00 175.55 172.78 1xsi s LEU 237 N -2.89 1.88 -0.10 -3.49 2.96 0.16 -4.83 118.68 112.38 1xsi s LEU 237 Ca 0.07 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1xsi s LEU 237 Cb 0.07 -1.09 0.02 0.00 0.50 0.00 0.00 46.19 45.69 1xsi s LEU 237 CO -0.09 0.12 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.25 1xsi s GLU 238 N 0.37 1.72 0.07 1.98 2.12 -1.26 0.35 118.70 124.06 1xsi s GLU 238 Ca -0.13 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.84 1xsi s GLU 238 Cb -0.16 -1.59 -0.04 0.00 0.26 0.00 0.00 34.13 32.61 1xsi s GLU 238 CO 0.05 -0.14 -0.06 1.52 -0.54 0.00 0.00 175.26 176.10 1xsi s TYR 239 N 1.23 0.74 -0.12 5.30 1.13 -0.70 0.11 117.35 125.04 1xsi s TYR 239 Ca -0.03 -0.88 0.03 0.00 -1.41 0.00 0.00 57.07 54.78 1xsi s TYR 239 Cb -0.14 -0.45 0.01 0.00 -1.10 0.00 0.00 41.96 40.27 1xsi s TYR 239 CO -0.03 -0.20 -0.21 -0.06 -2.51 0.00 0.00 175.55 172.54 1xsi s PHE 240 N -3.29 2.45 -0.18 -3.49 0.08 0.46 -0.37 117.98 113.64 1xsi s PHE 240 Ca 0.06 -1.14 -0.13 0.00 0.12 0.00 0.00 56.93 55.84 1xsi s PHE 240 Cb 0.03 -1.68 -0.05 0.00 -0.57 0.00 0.00 43.02 40.76 1xsi s PHE 240 CO -0.05 -0.51 0.28 0.08 -0.10 0.00 0.00 175.22 174.92 1xsi s VAL 241 N 0.68 5.30 -0.19 -0.44 1.01 -0.07 -1.21 120.40 125.47 1xsi s VAL 241 Ca -0.11 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1xsi s VAL 241 Cb -0.16 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1xsi s VAL 241 CO 0.02 0.36 -0.18 -0.63 0.00 0.00 0.00 175.10 174.68 1xsi s ILE 242 N 0.68 2.16 0.68 2.22 1.01 0.73 -1.58 121.20 127.10 1xsi s ILE 242 Ca 0.15 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 59.67 1xsi s ILE 242 Cb -0.13 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1xsi s ILE 242 CO 0.04 0.45 1.07 -0.62 0.00 0.00 0.00 174.94 175.88 1xsi s ASP 243 N 1.28 5.32 0.00 3.58 2.15 -0.50 -0.66 116.67 127.84 1xsi s ASP 243 Ca 0.03 1.72 0.00 0.00 0.43 0.00 0.00 52.55 54.73 1xsi s ASP 243 Cb -0.14 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1xsi s ASP 243 CO -0.11 -1.48 0.00 0.61 -0.17 0.00 0.00 175.17 174.01 1xsi n GLY 244 N -1.55 0.12 0.45 2.66 0.00 -0.69 -3.97 105.19 102.20 1xsi n GLY 244 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1xsi n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xsi n PRO 245 N 0.00 1.57 -4.22 1.61 -0.04 -1.26 -4.63 135.00 128.02 1xsi n PRO 245 Ca 0.00 -0.88 -0.23 0.00 -0.04 0.00 0.00 63.50 62.36 1xsi n PRO 245 Cb 0.00 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1xsi n PRO 245 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xsi s THR 246 N -1.73 3.55 0.27 0.52 -4.23 -1.26 -4.19 115.64 108.58 1xsi s THR 246 Ca 0.22 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1xsi s THR 246 Cb 0.12 -2.97 0.26 0.00 1.34 0.00 0.00 72.50 71.24 1xsi s THR 246 CO 0.16 -0.33 1.78 -0.65 -0.54 0.00 0.00 174.62 175.04 1xsi h PRO 247 N 1.74 0.69 -0.48 3.99 0.11 -1.89 0.08 132.00 136.24 1xsi h PRO 247 Ca -0.45 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1xsi h PRO 247 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1xsi h PRO 247 CO 0.61 0.46 -0.17 0.87 -0.21 0.00 0.00 178.00 179.56 1xsi h LYS 248 N 0.71 0.94 -0.22 1.05 1.57 -1.96 -1.58 116.57 117.09 1xsi h LYS 248 Ca 0.49 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1xsi h LYS 248 Cb 0.68 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1xsi h LYS 248 CO -0.35 1.03 -0.24 0.00 -0.57 0.00 0.00 179.45 179.32 1xsi h ALA 249 N 0.97 1.18 -0.30 3.86 0.00 -1.65 0.10 119.26 123.43 1xsi h ALA 249 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xsi h ALA 249 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xsi h ALA 249 CO 0.06 0.53 0.20 0.28 0.00 0.00 0.00 179.25 180.31 1xsi h VAL 250 N 0.36 1.08 0.00 0.00 2.07 -0.61 -2.02 116.25 117.14 1xsi h VAL 250 Ca 0.06 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 1xsi h VAL 250 Cb 0.62 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1xsi h VAL 250 CO 0.04 0.08 -0.61 -0.07 0.02 0.00 0.00 177.57 177.03 1xsi h LEU 251 N 0.41 0.00 0.28 2.57 3.38 -0.79 0.34 115.31 121.50 1xsi h LEU 251 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xsi h LEU 251 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1xsi h LEU 251 CO -0.02 0.61 -0.21 -0.78 0.09 0.00 0.00 178.44 178.13 1xsi h ASP 252 N 0.00 -0.55 -0.63 -0.43 3.58 -0.60 -0.57 116.42 117.21 1xsi h ASP 252 Ca -0.01 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 1xsi h ASP 252 Cb 1.09 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.29 1xsi h ASP 252 CO 0.08 -0.33 0.15 0.03 -2.88 0.00 0.00 179.24 176.29 1xsi h ARG 253 N -0.50 1.02 -0.63 0.28 3.08 -0.93 -0.40 114.38 116.30 1xsi h ARG 253 Ca -0.02 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 1xsi h ARG 253 Cb 0.44 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1xsi h ARG 253 CO -0.00 0.92 0.06 -0.92 -1.07 0.00 0.00 179.97 178.96 1xsi h TYR 254 N 0.94 1.15 0.00 3.04 3.20 -0.21 -1.21 116.97 123.89 1xsi h TYR 254 Ca 0.20 -0.18 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 1xsi h TYR 254 Cb 0.36 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1xsi h TYR 254 CO 0.03 0.99 -0.89 1.79 -1.64 0.00 0.00 178.16 178.44 1xsi h THR 255 N 0.98 1.60 -0.91 1.81 1.35 -0.96 -1.07 112.91 115.72 1xsi h THR 255 Ca 0.19 -3.07 0.08 0.00 -0.55 0.00 0.00 66.41 63.06 1xsi h THR 255 Cb 0.50 2.67 -0.06 0.00 -1.73 0.00 0.00 68.15 69.52 1xsi h THR 255 CO 0.02 0.87 0.59 -0.09 -0.25 0.00 0.00 175.52 176.65 1xsi h ARG 256 N 0.00 0.93 -0.06 4.72 2.43 -0.92 0.20 114.38 121.68 1xsi h ARG 256 Ca -0.01 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 58.92 1xsi h ARG 256 Cb 1.60 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 30.95 1xsi h ARG 256 CO 0.12 0.62 -0.68 0.35 -1.51 0.00 0.00 179.97 178.86 1xsi h PHE 257 N 0.96 0.80 0.00 2.20 3.57 -0.87 -3.39 116.94 120.21 1xsi h PHE 257 Ca 0.41 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1xsi h PHE 257 Cb 0.31 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1xsi h PHE 257 CO -0.00 1.20 -0.55 0.25 -2.23 0.00 0.00 178.31 176.98 1xsi n THR 258 N -4.11 0.00 0.00 4.41 -2.24 -0.43 0.27 114.28 112.17 1xsi n THR 258 Ca -0.09 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1xsi n THR 258 Cb 0.70 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1xsi n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xsi n GLY 259 N 1.48 4.88 3.77 3.38 0.00 0.69 -4.18 105.19 115.21 1xsi n GLY 259 Ca 0.00 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 1xsi n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xsi s ARG 260 N -4.98 4.16 0.25 1.61 1.81 -1.14 -4.50 118.95 116.15 1xsi s ARG 260 Ca 0.00 0.37 -0.31 0.00 -1.72 0.00 0.00 55.73 54.08 1xsi s ARG 260 Cb 0.00 -3.35 -0.14 0.00 -0.45 0.00 0.00 34.95 31.01 1xsi s ARG 260 CO 0.00 0.38 1.32 -2.30 -0.68 0.00 0.00 175.30 174.02 1xsi n PRO 261 N 2.93 1.86 -1.48 3.54 -0.02 -1.25 -4.04 135.00 136.53 1xsi n PRO 261 Ca -0.11 0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 1xsi n PRO 261 Cb 0.52 -2.26 0.07 0.00 -0.02 0.00 0.00 33.50 31.81 1xsi n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsi s ALA 262 N -0.29 2.36 -0.39 3.55 0.00 -1.24 -3.96 121.76 121.79 1xsi s ALA 262 Ca 0.67 0.38 -0.24 0.00 0.00 0.00 0.00 51.96 52.76 1xsi s ALA 262 Cb -0.67 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.17 1xsi s ALA 262 CO 0.52 -1.54 0.83 -1.17 0.00 0.00 0.00 175.76 174.41 1xsi s LEU 263 N -5.46 4.10 0.76 0.00 2.96 -1.26 -4.68 118.68 115.10 1xsi s LEU 263 Ca 0.63 0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 54.73 1xsi s LEU 263 Cb -0.18 -3.09 0.05 0.00 0.50 0.00 0.00 46.19 43.47 1xsi s LEU 263 CO 0.50 -0.83 1.12 -2.84 -1.32 0.00 0.00 176.35 172.98 1xsi s PRO 264 N 3.30 2.21 0.55 0.98 0.02 -1.26 -4.94 135.00 135.86 1xsi s PRO 264 Ca 0.33 1.35 -0.20 0.00 0.02 0.00 0.00 61.00 62.50 1xsi s PRO 264 Cb -0.12 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1xsi s PRO 264 CO 0.19 -1.70 1.24 -1.25 -0.33 0.00 0.00 177.00 175.15 1xsi s PRO 265 N -4.53 3.17 0.40 5.54 0.04 -1.25 -4.91 135.00 133.44 1xsi s PRO 265 Ca 0.65 1.93 0.15 0.00 0.04 0.00 0.00 61.00 63.77 1xsi s PRO 265 Cb -0.20 -2.11 1.01 0.00 0.04 0.00 0.00 34.50 33.24 1xsi s PRO 265 CO 0.51 -1.08 1.85 0.00 0.04 0.00 0.00 177.00 178.32 1xsi h ALA 266 N 1.26 2.10 -0.47 8.56 0.00 -1.91 -2.19 119.26 126.62 1xsi h ALA 266 Ca -0.50 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1xsi h ALA 266 Cb 1.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1xsi h ALA 266 CO 0.57 -0.39 0.22 0.11 0.00 0.00 0.00 179.25 179.75 1xsi h TRP 267 N 0.48 0.65 0.00 0.00 5.08 -1.91 -1.85 115.95 118.39 1xsi h TRP 267 Ca 0.48 -0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.44 1xsi h TRP 267 Cb 1.09 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 27.04 1xsi h TRP 267 CO -0.00 0.49 0.00 0.66 -1.28 0.00 0.00 178.44 178.30 1xsi h SER 268 N 0.66 0.00 0.03 0.11 4.64 -1.77 -1.57 113.55 115.65 1xsi h SER 268 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1xsi h SER 268 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1xsi h SER 268 CO -0.02 0.00 -0.00 0.49 -0.87 0.00 0.00 176.83 176.42 1xsi n PHE 269 N -2.37 0.00 -1.01 4.77 3.72 -0.70 -4.72 117.46 117.15 1xsi n PHE 269 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1xsi n PHE 269 Cb 0.06 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1xsi n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xsi n GLY 270 N 1.06 -0.93 3.70 1.37 0.00 -0.59 -4.82 105.19 104.97 1xsi n GLY 270 Ca 0.22 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 1xsi n GLY 270 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsi s LEU 271 N 0.00 4.27 -0.13 0.99 2.96 -1.26 -4.33 118.68 121.18 1xsi s LEU 271 Ca 0.00 1.31 -0.10 0.00 -0.22 0.00 0.00 54.13 55.12 1xsi s LEU 271 Cb 0.00 -3.27 -0.05 0.00 0.50 0.00 0.00 46.19 43.37 1xsi s LEU 271 CO 0.00 -0.27 0.21 0.26 -1.32 0.00 0.00 176.35 175.22 1xsi s TRP 272 N 1.43 3.55 0.08 5.38 0.52 -0.23 -1.71 118.94 127.95 1xsi s TRP 272 Ca 0.42 0.57 0.08 0.00 0.02 0.00 0.00 56.10 57.18 1xsi s TRP 272 Cb -0.18 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 29.99 1xsi s TRP 272 CO 0.18 0.53 -0.21 -1.17 0.02 0.00 0.00 176.95 176.30 1xsi s LEU 273 N -0.45 2.24 0.22 2.99 2.96 -0.39 -0.51 118.68 125.75 1xsi s LEU 273 Ca 0.15 -0.62 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 1xsi s LEU 273 Cb -0.13 -0.94 -0.05 0.00 0.50 0.00 0.00 46.19 45.58 1xsi s LEU 273 CO 0.04 0.11 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.14 1xsi s THR 274 N -1.00 1.86 -1.17 3.68 2.01 -1.04 -0.40 115.64 119.59 1xsi s THR 274 Ca 0.07 -2.24 0.23 0.00 0.31 0.00 0.00 61.69 60.05 1xsi s THR 274 Cb -0.09 -2.11 0.27 0.00 0.01 0.00 0.00 72.50 70.58 1xsi s THR 274 CO 0.03 -0.55 1.73 0.35 -0.69 0.00 0.00 174.62 175.50 1xsi n THR 275 N -0.43 0.39 -1.91 -0.82 -2.24 -1.10 -4.82 114.28 103.34 1xsi n THR 275 Ca -0.07 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1xsi n THR 275 Cb 0.60 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1xsi n THR 275 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsi n SER 276 N -1.41 -6.37 -0.00 3.42 7.64 -1.26 -4.74 113.62 110.89 1xsi n SER 276 Ca 0.08 0.98 -0.00 0.00 1.01 0.00 0.00 58.87 60.93 1xsi n SER 276 Cb 0.23 -2.74 -0.00 0.00 -1.01 0.00 0.00 64.21 60.69 1xsi n SER 276 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xsi n PHE 277 N -3.16 0.02 -0.54 1.43 7.35 -0.79 -4.56 117.46 117.22 1xsi n PHE 277 Ca 0.01 0.01 0.08 0.00 -0.76 0.00 0.00 57.45 56.79 1xsi n PHE 277 Cb 0.41 -0.11 0.27 0.00 0.35 0.00 0.00 39.48 40.41 1xsi n PHE 277 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1xsi n THR 278 N -2.53 1.59 -0.62 -2.13 -2.24 0.19 -4.52 114.28 104.03 1xsi n THR 278 Ca -0.01 -1.25 -0.31 0.00 -2.27 0.00 0.00 64.05 60.21 1xsi n THR 278 Cb 0.02 0.20 0.20 0.00 -2.10 0.00 0.00 70.33 68.65 1xsi n THR 278 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xsi n THR 279 N 0.66 0.00 -2.73 4.28 -2.24 -1.24 -4.93 114.28 108.08 1xsi n THR 279 Ca 0.20 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.36 1xsi n THR 279 Cb 0.72 -0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 1xsi n THR 279 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xsi s ASN 280 N -2.26 6.95 -0.26 3.42 -0.87 -1.26 -5.05 114.94 115.60 1xsi s ASN 280 Ca 0.63 1.82 -0.26 0.00 -1.57 0.00 0.00 52.86 53.48 1xsi s ASN 280 Cb -0.21 -2.56 0.13 0.00 -0.02 0.00 0.00 41.25 38.58 1xsi s ASN 280 CO 0.64 -0.35 1.05 -0.72 -2.57 0.00 0.00 177.10 175.15 1xsi s TYR 281 N -1.92 -0.44 0.00 2.20 1.13 -1.26 -5.03 117.35 112.03 1xsi s TYR 281 Ca 0.59 1.03 0.00 0.00 -1.41 0.00 0.00 57.07 57.28 1xsi s TYR 281 Cb -0.15 0.38 0.00 0.00 -1.10 0.00 0.00 41.96 41.09 1xsi s TYR 281 CO 0.19 -0.24 0.00 -0.40 -2.51 0.00 0.00 175.55 172.59 1xsi n ASP 282 N 1.96 0.00 0.00 -0.18 3.85 -1.26 -4.95 116.55 115.97 1xsi n ASP 282 Ca -0.12 -0.92 0.03 0.00 -0.71 0.00 0.00 54.79 53.06 1xsi n ASP 282 Cb 0.56 0.00 0.39 0.00 -1.35 0.00 0.00 41.12 40.72 1xsi n ASP 282 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1xsi h GLU 283 N 0.00 0.53 -0.02 0.11 4.81 -1.85 -2.09 114.58 116.08 1xsi h GLU 283 Ca 0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1xsi h GLU 283 Cb 0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1xsi h GLU 283 CO 0.00 0.41 -0.01 0.00 -0.73 0.00 0.00 179.01 178.69 1xsi h ALA 284 N 1.67 0.02 -0.83 2.92 0.00 -1.96 -2.57 119.26 118.51 1xsi h ALA 284 Ca 0.14 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.03 1xsi h ALA 284 Cb 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 1xsi h ALA 284 CO -0.02 -0.27 0.28 1.15 0.00 0.00 0.00 179.25 180.39 1xsi h THR 285 N -0.36 0.47 0.51 0.00 2.02 -1.90 0.85 112.91 114.50 1xsi h THR 285 Ca 0.00 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1xsi h THR 285 Cb 0.41 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1xsi h THR 285 CO 0.00 0.06 -0.26 0.58 0.37 0.00 0.00 175.52 176.28 1xsi h VAL 286 N 0.32 0.48 -0.46 3.16 2.07 -1.20 0.43 116.25 121.06 1xsi h VAL 286 Ca 0.50 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.09 1xsi h VAL 286 Cb 0.91 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1xsi h VAL 286 CO -0.54 0.00 0.08 0.78 0.02 0.00 0.00 177.57 177.91 1xsi h ASN 287 N -0.70 -0.03 -0.19 0.57 2.35 -1.05 -0.55 115.58 115.98 1xsi h ASN 287 Ca -0.07 0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1xsi h ASN 287 Cb 0.54 0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.97 1xsi h ASN 287 CO 0.10 0.02 -0.31 -1.28 -1.65 0.00 0.00 177.43 174.31 1xsi h SER 288 N 0.21 -0.98 -0.46 5.81 0.87 -0.58 0.30 113.55 118.72 1xsi h SER 288 Ca 0.23 0.15 0.07 0.00 -1.23 0.00 0.00 61.79 61.01 1xsi h SER 288 Cb 0.30 0.43 -0.06 0.00 -0.44 0.00 0.00 62.40 62.63 1xsi h SER 288 CO -0.31 -0.34 0.13 -0.26 -0.53 0.00 0.00 176.83 175.52 1xsi h PHE 289 N -0.35 0.23 -0.36 2.24 -1.00 -0.00 0.18 116.94 117.88 1xsi h PHE 289 Ca 0.11 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.80 1xsi h PHE 289 Cb 0.53 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 1xsi h PHE 289 CO -0.42 0.06 -0.25 0.82 -1.61 0.00 0.00 178.31 176.90 1xsi h ILE 290 N 0.29 1.29 -0.31 -0.55 2.04 -0.52 -2.04 117.51 117.71 1xsi h ILE 290 Ca 0.22 -1.41 -0.13 0.00 1.00 0.00 0.00 64.86 64.54 1xsi h ILE 290 Cb 0.25 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1xsi h ILE 290 CO -0.25 0.46 -0.32 0.44 0.00 0.00 0.00 178.15 178.48 1xsi h ASP 291 N 0.59 0.82 -0.05 1.72 3.32 -0.28 -2.61 116.42 119.92 1xsi h ASP 291 Ca 0.07 -0.48 0.02 0.00 0.02 0.00 0.00 57.03 56.66 1xsi h ASP 291 Cb 0.82 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1xsi h ASP 291 CO 0.07 1.13 0.04 1.23 -1.72 0.00 0.00 179.24 179.99 1xsi h GLY 292 N 0.52 0.00 0.49 2.75 0.00 -0.51 -0.88 103.07 105.44 1xsi h GLY 292 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1xsi h GLY 292 CO 0.08 0.00 -0.13 -0.33 0.00 0.00 0.00 176.54 176.16 1xsi h MET 293 N 0.00 -0.35 -0.96 4.80 2.86 -1.10 -2.97 114.93 117.22 1xsi h MET 293 Ca 0.03 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1xsi h MET 293 Cb 0.11 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 1xsi h MET 293 CO -0.00 0.00 0.62 0.00 1.06 0.00 0.00 176.91 178.60 1xsi h ALA 294 N -0.42 1.45 0.00 6.32 0.00 -1.12 -1.03 119.26 124.46 1xsi h ALA 294 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xsi h ALA 294 Cb 0.51 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xsi h ALA 294 CO 0.06 0.40 0.00 0.93 0.00 0.00 0.00 179.25 180.64 1xsi h GLU 295 N 1.11 0.00 -0.74 0.00 5.08 -1.26 -1.31 114.58 117.46 1xsi h GLU 295 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1xsi h GLU 295 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xsi h GLU 295 CO -0.16 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.39 1xsi n ARG 296 N -2.44 2.75 -3.25 2.33 1.74 -0.49 -4.96 116.66 112.33 1xsi n ARG 296 Ca 0.04 -2.67 -0.23 0.00 -0.77 0.00 0.00 57.85 54.22 1xsi n ARG 296 Cb 0.39 -1.59 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 1xsi n ARG 296 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xsi n ASN 297 N 1.64 -6.14 -4.35 0.55 3.02 -0.50 -4.98 115.26 104.51 1xsi n ASN 297 Ca 0.25 -0.39 -0.45 0.00 -0.03 0.00 0.00 54.58 53.95 1xsi n ASN 297 Cb 0.63 -4.92 -0.05 0.00 -0.61 0.00 0.00 39.78 34.84 1xsi n ASN 297 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xsi s LEU 298 N -6.92 5.76 0.39 3.41 1.43 -0.59 -4.91 118.68 117.25 1xsi s LEU 298 Ca 0.42 -1.58 -0.25 0.00 -1.03 0.00 0.00 54.13 51.68 1xsi s LEU 298 Cb -0.19 -2.26 -0.11 0.00 0.03 0.00 0.00 46.19 43.66 1xsi s LEU 298 CO 0.51 -0.97 1.02 -2.65 0.23 0.00 0.00 176.35 174.49 1xsi n PRO 299 N 5.78 1.39 -3.72 1.29 -0.02 -1.26 -4.31 135.00 134.14 1xsi n PRO 299 Ca -0.12 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1xsi n PRO 299 Cb 0.41 -2.01 -0.12 0.00 -0.02 0.00 0.00 33.50 31.76 1xsi n PRO 299 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xsi s LEU 300 N -0.31 0.31 0.00 2.45 1.98 -1.26 -4.80 118.68 117.04 1xsi s LEU 300 Ca 0.62 0.68 0.00 0.00 -2.89 0.00 0.00 54.13 52.53 1xsi s LEU 300 Cb -0.59 1.02 0.00 0.00 0.66 0.00 0.00 46.19 47.28 1xsi s LEU 300 CO 0.58 -0.16 0.00 1.41 -1.89 0.00 0.00 176.35 176.28 1xsi n HIS 301 N 3.97 0.00 -4.51 5.38 8.25 -0.70 -4.88 115.22 122.74 1xsi n HIS 301 Ca -0.22 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 56.99 1xsi n HIS 301 Cb 0.55 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.49 1xsi n HIS 301 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xsi s VAL 302 N -1.84 1.13 -0.11 1.59 1.01 -0.93 -0.67 120.40 120.58 1xsi s VAL 302 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1xsi s VAL 302 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1xsi s VAL 302 CO 0.00 0.36 -0.04 0.12 0.00 0.00 0.00 175.10 175.54 1xsi s PHE 303 N 0.78 3.02 -0.17 5.22 5.36 0.08 -1.26 117.98 131.01 1xsi s PHE 303 Ca -0.12 -0.08 -0.01 0.00 -0.96 0.00 0.00 56.93 55.75 1xsi s PHE 303 Cb -0.15 -1.84 -0.01 0.00 -0.34 0.00 0.00 43.02 40.68 1xsi s PHE 303 CO 0.02 0.20 -0.11 -1.58 -1.46 0.00 0.00 175.22 172.30 1xsi s HIS 304 N -0.32 2.86 -0.26 10.12 5.65 0.47 -0.80 115.29 133.00 1xsi s HIS 304 Ca 0.05 -0.88 -0.21 0.00 0.25 0.00 0.00 55.06 54.28 1xsi s HIS 304 Cb -0.12 -1.95 -0.02 0.00 -1.18 0.00 0.00 32.58 29.31 1xsi s HIS 304 CO 0.02 -0.41 0.65 -0.06 -0.65 0.00 0.00 174.74 174.29 1xsi s PHE 305 N 0.88 3.27 0.00 3.88 0.08 0.44 -2.72 117.98 123.81 1xsi s PHE 305 Ca -0.03 0.80 0.00 0.00 0.12 0.00 0.00 56.93 57.83 1xsi s PHE 305 Cb -0.15 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 1xsi s PHE 305 CO -0.00 -0.36 0.00 -3.47 -0.10 0.00 0.00 175.22 171.29 1xsi n ASP 306 N 5.77 0.00 -0.10 1.36 2.03 -1.26 -1.29 116.55 123.06 1xsi n ASP 306 Ca -0.00 -0.68 0.10 0.00 0.52 0.00 0.00 54.79 54.74 1xsi n ASP 306 Cb 0.49 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.35 1xsi n ASP 306 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xsi n PHE 308 N -4.48 0.20 0.22 0.00 3.72 -1.26 -1.98 117.46 113.88 1xsi n PHE 308 Ca 0.10 -0.08 0.06 0.00 -0.05 0.00 0.00 57.45 57.48 1xsi n PHE 308 Cb 0.33 -0.10 0.51 0.00 -0.94 0.00 0.00 39.48 39.28 1xsi n PHE 308 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 176.76 176.82 1xsi h TRP 309 N 0.49 0.00 -1.86 1.38 5.08 -1.14 -3.44 115.95 116.46 1xsi h TRP 309 Ca 0.00 0.00 -0.45 0.00 1.08 0.00 0.00 58.89 59.52 1xsi h TRP 309 Cb 0.47 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.63 1xsi h TRP 309 CO 0.10 0.23 -0.36 -1.64 -1.28 0.00 0.00 178.44 175.50 1xsi s MET 310 N -4.34 3.13 0.43 0.12 -1.94 -0.84 -0.64 119.30 115.22 1xsi s MET 310 Ca -0.03 -1.00 -0.24 0.00 -1.71 0.00 0.00 55.69 52.70 1xsi s MET 310 Cb 0.14 -2.80 -0.08 0.00 2.01 0.00 0.00 34.83 34.10 1xsi s MET 310 CO 0.68 0.12 1.18 0.15 -0.01 0.00 0.00 175.02 177.14 1xsi s LYS 311 N -4.13 3.91 0.32 2.03 1.02 -1.25 -4.73 119.74 116.90 1xsi s LYS 311 Ca 0.43 1.85 -0.29 0.00 0.02 0.00 0.00 55.97 57.98 1xsi s LYS 311 Cb -0.09 -2.57 -0.13 0.00 -0.52 0.00 0.00 37.83 34.52 1xsi s LYS 311 CO 0.30 -0.44 1.32 0.00 -0.92 0.00 0.00 175.35 175.61 1xsi n ALA 312 N -0.16 1.27 -0.88 5.17 0.00 -1.26 -1.81 120.51 122.85 1xsi n ALA 312 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1xsi n ALA 312 Cb 0.47 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1xsi n ALA 312 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xsi n PHE 313 N 0.75 0.00 -0.09 0.00 3.72 -1.26 -4.81 117.46 115.77 1xsi n PHE 313 Ca 0.06 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.51 1xsi n PHE 313 Cb 0.35 -0.88 0.13 0.00 -0.94 0.00 0.00 39.48 38.14 1xsi n PHE 313 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xsi n GLN 314 N -1.50 2.58 -1.97 -1.08 6.02 -0.75 -3.73 117.38 116.95 1xsi n GLN 314 Ca 0.00 -1.89 -0.39 0.00 -0.01 0.00 0.00 57.00 54.71 1xsi n GLN 314 Cb 0.13 -1.24 0.01 0.00 1.02 0.00 0.00 30.24 30.16 1xsi n GLN 314 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1xsi s TRP 315 N -0.98 2.64 -1.34 1.08 0.51 -1.25 -2.42 118.94 117.18 1xsi s TRP 315 Ca 0.20 1.38 -0.07 0.00 -2.12 0.00 0.00 56.10 55.49 1xsi s TRP 315 Cb 0.11 -3.72 0.01 0.00 -0.81 0.00 0.00 33.47 29.06 1xsi s TRP 315 CO 0.14 -2.37 1.13 0.00 -0.51 0.00 0.00 176.95 175.34 1xsi n ASP 317 N -3.03 2.00 -0.89 0.00 5.75 -1.02 -4.71 116.55 114.65 1xsi n ASP 317 Ca -0.05 -1.50 -0.12 0.00 -0.01 0.00 0.00 54.79 53.11 1xsi n ASP 317 Cb 0.58 0.16 -0.05 0.00 -1.03 0.00 0.00 41.12 40.79 1xsi n ASP 317 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1xsi n PHE 318 N 0.50 0.00 -3.59 2.11 3.72 -1.26 -4.99 117.46 113.95 1xsi n PHE 318 Ca 0.08 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.10 1xsi n PHE 318 Cb 0.35 -2.46 -0.10 0.00 -0.94 0.00 0.00 39.48 36.34 1xsi n PHE 318 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xsi s GLU 319 N -2.85 4.04 0.28 -1.08 0.41 -1.26 -5.07 118.70 113.17 1xsi s GLU 319 Ca 0.00 -0.20 -0.30 0.00 -0.41 0.00 0.00 54.97 54.06 1xsi s GLU 319 Cb 0.00 -3.58 -0.11 0.00 -1.78 0.00 0.00 34.13 28.66 1xsi s GLU 319 CO 0.00 -0.05 1.50 -1.58 -0.49 0.00 0.00 175.26 174.65 1xsi s TRP 320 N 1.37 2.88 -0.29 1.61 0.52 -1.26 -3.95 118.94 119.82 1xsi s TRP 320 Ca 0.09 0.95 -0.29 0.00 0.02 0.00 0.00 56.10 56.87 1xsi s TRP 320 Cb -0.15 -3.93 -0.00 0.00 -1.15 0.00 0.00 33.47 28.24 1xsi s TRP 320 CO 0.07 -3.04 1.39 0.34 0.02 0.00 0.00 176.95 175.73 1xsi s ASP 321 N 0.35 6.56 0.12 2.95 -1.08 0.19 -4.82 116.67 120.94 1xsi s ASP 321 Ca 0.60 1.26 0.27 0.00 -0.52 0.00 0.00 52.55 54.16 1xsi s ASP 321 Cb -0.45 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 39.47 1xsi s ASP 321 CO 0.47 -1.16 1.83 -0.81 0.52 0.00 0.00 175.17 176.01 1xsi n PRO 322 N 7.48 0.14 0.08 4.34 -0.04 -1.26 0.14 135.00 145.88 1xsi n PRO 322 Ca 0.16 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.68 1xsi n PRO 322 Cb 0.46 -1.67 0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1xsi n PRO 322 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1xsi h LEU 323 N 0.00 0.29 0.00 1.53 3.38 -1.97 -3.24 115.31 115.31 1xsi h LEU 323 Ca 0.00 -0.20 -0.35 0.00 0.09 0.00 0.00 57.88 57.42 1xsi h LEU 323 Cb 0.60 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1xsi h LEU 323 CO 0.00 0.92 -2.33 0.41 0.09 0.00 0.00 178.44 177.53 1xsi n THR 324 N -3.78 1.34 -3.72 0.22 -1.04 -1.08 -4.68 114.28 101.54 1xsi n THR 324 Ca -0.03 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.20 1xsi n THR 324 Cb 0.70 -1.35 -0.11 0.00 -1.82 0.00 0.00 70.33 67.75 1xsi n THR 324 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1xsi s PHE 325 N -2.47 2.62 0.38 -1.42 0.08 0.12 -2.26 117.98 115.03 1xsi s PHE 325 Ca -0.32 -2.94 0.24 0.00 0.12 0.00 0.00 56.93 54.04 1xsi s PHE 325 Cb 0.08 -2.04 1.28 0.00 -0.57 0.00 0.00 43.02 41.77 1xsi s PHE 325 CO 0.53 -0.66 2.01 -1.35 -0.10 0.00 0.00 175.22 175.66 1xsi h PRO 326 N 5.58 0.00 -2.48 0.24 0.11 -1.74 -3.37 132.00 130.34 1xsi h PRO 326 Ca 0.17 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.72 1xsi h PRO 326 Cb 0.82 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.55 1xsi h PRO 326 CO 0.58 0.16 -0.86 0.34 -0.21 0.00 0.00 178.00 178.02 1xsi s ASP 327 N -6.31 2.49 0.05 -2.05 2.15 -1.26 -4.99 116.67 106.75 1xsi s ASP 327 Ca -0.03 -2.29 -0.23 0.00 0.43 0.00 0.00 52.55 50.44 1xsi s ASP 327 Cb 0.13 -0.30 -0.15 0.00 -0.30 0.00 0.00 42.92 42.31 1xsi s ASP 327 CO 0.61 -0.28 1.54 -0.65 -0.17 0.00 0.00 175.17 176.22 1xsi h PRO 328 N 6.75 0.12 -0.40 4.34 0.11 -1.99 -1.71 132.00 139.22 1xsi h PRO 328 Ca 0.10 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 1xsi h PRO 328 Cb 0.97 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1xsi h PRO 328 CO 0.27 0.31 0.10 1.49 -0.21 0.00 0.00 178.00 179.96 1xsi h GLU 329 N -0.09 0.64 -0.13 1.05 4.81 -1.96 0.32 114.58 119.22 1xsi h GLU 329 Ca 0.02 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1xsi h GLU 329 Cb 0.24 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1xsi h GLU 329 CO 0.00 0.66 -0.12 0.78 -0.73 0.00 0.00 179.01 179.61 1xsi h GLY 330 N 0.51 -0.02 0.82 1.92 0.00 -1.90 0.52 103.07 104.90 1xsi h GLY 330 Ca 0.13 0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.62 1xsi h GLY 330 CO 0.00 -0.13 0.16 1.98 0.00 0.00 0.00 176.54 178.55 1xsi h MET 331 N -0.14 0.32 -0.14 4.80 1.85 -1.07 -1.29 114.93 119.27 1xsi h MET 331 Ca 0.09 -0.02 0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1xsi h MET 331 Cb 0.26 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 1xsi h MET 331 CO -0.21 0.21 0.07 0.82 -0.40 0.00 0.00 176.91 177.40 1xsi h ILE 332 N 0.33 1.00 0.00 1.77 2.04 0.17 -2.49 117.51 120.33 1xsi h ILE 332 Ca 0.14 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 1xsi h ILE 332 Cb 0.07 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1xsi h ILE 332 CO -0.11 0.03 -0.34 0.03 0.00 0.00 0.00 178.15 177.76 1xsi h ARG 333 N 0.15 0.00 -0.04 2.37 3.08 -0.81 0.54 114.38 119.67 1xsi h ARG 333 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1xsi h ARG 333 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xsi h ARG 333 CO -0.03 0.34 0.01 -0.09 -1.07 0.00 0.00 179.97 179.12 1xsi h ARG 334 N 0.00 0.06 -0.77 0.04 2.43 -0.99 0.29 114.38 115.43 1xsi h ARG 334 Ca -0.00 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1xsi h ARG 334 Cb 0.74 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 1xsi h ARG 334 CO 0.04 0.24 0.44 -0.07 -1.51 0.00 0.00 179.97 179.12 1xsi h LEU 335 N -0.13 0.66 -1.18 3.80 3.38 -1.00 -1.33 115.31 119.51 1xsi h LEU 335 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xsi h LEU 335 Cb 0.20 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1xsi h LEU 335 CO -0.00 0.41 0.53 0.50 0.09 0.00 0.00 178.44 179.96 1xsi h LYS 336 N 0.79 1.08 -0.40 1.13 3.64 -0.73 -2.28 116.57 119.80 1xsi h LYS 336 Ca 0.35 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1xsi h LYS 336 Cb 0.25 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1xsi h LYS 336 CO -0.21 0.72 -0.06 0.00 -2.27 0.00 0.00 179.45 177.64 1xsi h ALA 337 N 1.47 1.16 0.00 5.00 0.00 0.24 0.16 119.26 127.29 1xsi h ALA 337 Ca 0.30 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xsi h ALA 337 Cb -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1xsi h ALA 337 CO -0.06 0.54 0.00 1.63 0.00 0.00 0.00 179.25 181.36 1xsi n LYS 338 N -4.21 0.79 -0.73 0.00 5.02 -1.07 -4.90 118.16 113.06 1xsi n LYS 338 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1xsi n LYS 338 Cb 0.31 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1xsi n LYS 338 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsi n GLY 339 N 0.52 0.64 3.77 0.72 0.00 0.55 -5.06 105.19 106.32 1xsi n GLY 339 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1xsi n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsi s LEU 340 N 0.00 4.35 0.41 0.99 1.43 -0.88 -4.97 118.68 120.00 1xsi s LEU 340 Ca 0.00 2.24 -0.09 0.00 -1.03 0.00 0.00 54.13 55.25 1xsi s LEU 340 Cb 0.00 -3.88 -0.06 0.00 0.03 0.00 0.00 46.19 42.28 1xsi s LEU 340 CO 0.00 -0.39 0.75 -0.54 0.23 0.00 0.00 176.35 176.41 1xsi s LYS 341 N -1.96 3.71 -0.13 1.70 -0.14 0.15 -4.16 119.74 118.91 1xsi s LYS 341 Ca 0.51 0.37 0.02 0.00 -1.36 0.00 0.00 55.97 55.51 1xsi s LYS 341 Cb -0.29 -2.41 0.01 0.00 -1.68 0.00 0.00 37.83 33.46 1xsi s LYS 341 CO 0.37 -0.05 -0.20 0.42 -0.76 0.00 0.00 175.35 175.13 1xsi s ILE 342 N -2.43 1.88 0.01 2.17 -1.09 -1.26 -0.74 121.20 119.74 1xsi s ILE 342 Ca 0.50 -0.87 0.05 0.00 -2.23 0.00 0.00 60.65 58.10 1xsi s ILE 342 Cb -0.10 -1.68 -0.03 0.00 -1.58 0.00 0.00 42.46 39.06 1xsi s ILE 342 CO 0.34 0.52 -0.13 0.00 -1.23 0.00 0.00 174.94 174.44 1xsi s VAL 344 N -0.92 1.27 0.32 0.00 -7.23 -1.09 -0.42 120.40 112.32 1xsi s VAL 344 Ca 0.15 -1.23 -0.28 0.00 -1.81 0.00 0.00 61.98 58.81 1xsi s VAL 344 Cb -0.11 -1.17 -0.10 0.00 0.56 0.00 0.00 36.38 35.57 1xsi s VAL 344 CO 0.05 -0.07 1.16 0.86 -0.31 0.00 0.00 175.10 176.80 1xsi s TRP 345 N -1.06 3.33 0.23 2.82 -0.00 -0.41 -2.00 118.94 121.85 1xsi s TRP 345 Ca 0.02 1.60 -0.07 0.00 -0.00 0.00 0.00 56.10 57.64 1xsi s TRP 345 Cb -0.09 -3.40 -0.02 0.00 -0.00 0.00 0.00 33.47 29.96 1xsi s TRP 345 CO 0.02 -1.03 0.32 0.96 -0.00 0.00 0.00 176.95 177.22 1xsi s ILE 346 N -1.23 0.00 0.26 5.86 -4.36 -0.80 -4.91 121.20 116.02 1xsi s ILE 346 Ca 0.49 -1.69 -0.22 0.00 -0.26 0.00 0.00 60.65 58.97 1xsi s ILE 346 Cb -0.33 -2.36 0.03 0.00 1.25 0.00 0.00 42.46 41.05 1xsi s ILE 346 CO 0.43 0.00 0.78 0.54 0.24 0.00 0.00 174.94 176.93 1xsi s ASN 347 N -3.10 -0.23 -0.25 4.36 4.22 -1.26 -2.09 114.94 116.59 1xsi s ASN 347 Ca 0.30 -0.59 0.05 0.00 -2.14 0.00 0.00 52.86 50.49 1xsi s ASN 347 Cb 0.03 0.68 0.50 0.00 1.28 0.00 0.00 41.25 43.74 1xsi s ASN 347 CO 0.11 -1.26 1.53 -0.81 -2.04 0.00 0.00 177.10 174.63 1xsi n PRO 348 N -0.47 2.56 -4.39 3.55 -0.04 -1.26 -4.78 135.00 130.17 1xsi n PRO 348 Ca -0.05 -2.11 -0.20 0.00 -0.04 0.00 0.00 63.50 61.11 1xsi n PRO 348 Cb 0.59 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1xsi n PRO 348 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xsi s TYR 349 N -2.25 1.82 -0.08 0.54 2.02 -1.26 -1.47 117.35 116.68 1xsi s TYR 349 Ca 0.39 -0.70 -0.04 0.00 -0.37 0.00 0.00 57.07 56.34 1xsi s TYR 349 Cb 0.31 -1.00 0.04 0.00 -0.40 0.00 0.00 41.96 40.92 1xsi s TYR 349 CO 0.09 0.25 0.19 -1.50 -1.57 0.00 0.00 175.55 173.00 1xsi s ILE 350 N -3.07 -0.04 0.47 2.71 2.07 0.07 -3.63 121.20 119.77 1xsi s ILE 350 Ca 0.27 0.15 -0.23 0.00 -1.41 0.00 0.00 60.65 59.44 1xsi s ILE 350 Cb 0.03 -0.30 -0.07 0.00 0.13 0.00 0.00 42.46 42.25 1xsi s ILE 350 CO 0.10 0.06 1.21 -0.83 -1.91 0.00 0.00 174.94 173.57 1xsi s GLY 351 N 1.11 2.81 0.47 1.50 0.00 -0.89 -1.02 107.32 111.31 1xsi s GLY 351 Ca -0.08 1.02 0.26 0.00 0.00 0.00 0.00 44.72 45.92 1xsi s GLY 351 CO -0.06 1.50 1.88 -1.61 0.00 0.00 0.00 173.10 174.81 1xsi h GLN 352 N 2.03 0.00 0.00 2.90 4.15 -1.29 -2.90 115.11 120.00 1xsi h GLN 352 Ca -0.50 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.89 1xsi h GLN 352 Cb 1.26 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.94 1xsi h GLN 352 CO 0.60 0.17 -0.16 -0.22 -1.93 0.00 0.00 178.83 177.29 1xsi h LYS 353 N 0.00 0.00 -6.58 1.69 3.64 -1.77 -3.44 116.57 110.10 1xsi h LYS 353 Ca -0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1xsi h LYS 353 Cb 0.66 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 32.56 1xsi h LYS 353 CO 0.02 0.16 0.66 0.45 -2.27 0.00 0.00 179.45 178.47 1xsi n SER 354 N -3.92 2.86 -0.04 4.20 2.88 -1.10 -4.87 113.62 113.63 1xsi n SER 354 Ca -0.02 1.13 0.24 0.00 -1.33 0.00 0.00 58.87 58.89 1xsi n SER 354 Cb 0.25 -1.43 0.69 0.00 -0.75 0.00 0.00 64.21 62.97 1xsi n SER 354 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1xsi h PRO 355 N 4.55 0.00 0.00 -1.46 0.11 -1.92 -2.37 132.00 130.91 1xsi h PRO 355 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1xsi h PRO 355 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1xsi h PRO 355 CO 0.78 0.00 -0.44 0.28 -0.21 0.00 0.00 178.00 178.41 1xsi h VAL 356 N 0.00 0.57 -0.54 3.15 2.07 -1.93 -3.38 116.25 116.19 1xsi h VAL 356 Ca 0.31 -1.82 0.11 0.00 0.82 0.00 0.00 66.70 66.12 1xsi h VAL 356 Cb 1.60 2.25 -0.10 0.00 -1.52 0.00 0.00 31.29 33.51 1xsi h VAL 356 CO -0.00 0.32 -0.14 0.15 0.02 0.00 0.00 177.57 177.92 1xsi h PHE 357 N 0.00 -0.32 -0.40 1.57 3.04 -1.71 -1.22 116.94 117.90 1xsi h PHE 357 Ca -0.01 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 1xsi h PHE 357 Cb 1.28 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.99 1xsi h PHE 357 CO 0.00 -0.24 0.09 -0.22 -2.02 0.00 0.00 178.31 175.92 1xsi h LYS 358 N -0.01 0.65 -0.47 1.11 3.64 -1.77 0.83 116.57 120.55 1xsi h LYS 358 Ca 0.26 -0.16 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1xsi h LYS 358 Cb 0.40 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1xsi h LYS 358 CO -0.56 0.67 0.04 1.49 -2.27 0.00 0.00 179.45 178.83 1xsi h GLU 359 N 0.51 0.16 -0.56 1.90 4.81 -1.65 0.74 114.58 120.48 1xsi h GLU 359 Ca 0.13 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1xsi h GLU 359 Cb 0.32 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1xsi h GLU 359 CO 0.00 0.11 0.07 -0.07 -0.73 0.00 0.00 179.01 178.39 1xsi h LEU 360 N 0.17 0.87 -0.44 1.64 3.38 -0.69 -0.48 115.31 119.75 1xsi h LEU 360 Ca 0.23 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1xsi h LEU 360 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1xsi h LEU 360 CO -0.35 0.89 -0.03 -0.61 0.09 0.00 0.00 178.44 178.44 1xsi h GLN 361 N 0.86 0.79 -0.08 1.13 4.15 -0.36 -0.54 115.11 121.06 1xsi h GLN 361 Ca 0.17 -0.26 -0.09 0.00 0.77 0.00 0.00 58.65 59.24 1xsi h GLN 361 Cb 0.41 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1xsi h GLN 361 CO 0.01 0.87 -0.35 0.93 -1.93 0.00 0.00 178.83 178.35 1xsi h GLU 362 N 0.62 0.16 0.00 1.69 5.08 -0.58 -2.82 114.58 118.73 1xsi h GLU 362 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xsi h GLU 362 Cb 0.53 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1xsi h GLU 362 CO 0.03 0.50 -0.06 1.63 -1.00 0.00 0.00 179.01 180.11 1xsi n LYS 363 N -4.08 0.00 -2.38 2.33 5.02 -0.21 -4.92 118.16 113.92 1xsi n LYS 363 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1xsi n LYS 363 Cb 0.42 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.93 1xsi n LYS 363 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsi n GLY 364 N 1.50 0.12 0.35 0.72 0.00 -0.78 -4.95 105.19 102.14 1xsi n GLY 364 Ca 0.07 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.74 1xsi n GLY 364 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xsi n TYR 365 N -3.86 0.00 -4.08 1.61 4.01 -0.28 -4.93 117.16 109.62 1xsi n TYR 365 Ca -0.07 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.40 1xsi n TYR 365 Cb 0.56 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.46 1xsi n TYR 365 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsi s LEU 366 N -2.51 3.77 0.12 7.72 1.43 -1.26 -1.33 118.68 126.62 1xsi s LEU 366 Ca 0.21 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.88 1xsi s LEU 366 Cb 0.19 -2.40 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 1xsi s LEU 366 CO 0.55 0.09 1.63 -0.22 0.23 0.00 0.00 176.35 178.63 1xsi s LEU 367 N -2.93 4.37 0.22 1.79 2.96 1.00 -4.70 118.68 121.39 1xsi s LEU 367 Ca 0.30 2.58 0.05 0.00 -0.22 0.00 0.00 54.13 56.85 1xsi s LEU 367 Cb -0.10 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1xsi s LEU 367 CO 0.23 -0.87 0.27 -0.54 -1.32 0.00 0.00 176.35 174.12 1xsi s LYS 368 N 1.87 3.22 0.70 1.98 1.02 -1.26 -1.53 119.74 125.74 1xsi s LYS 368 Ca 0.73 -0.84 -0.11 0.00 0.02 0.00 0.00 55.97 55.76 1xsi s LYS 368 Cb -0.42 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1xsi s LYS 368 CO 0.32 0.44 1.07 1.03 -0.92 0.00 0.00 175.35 177.29 1xsi s ARG 369 N -3.73 2.88 0.46 1.68 0.52 0.08 -1.08 118.95 119.76 1xsi s ARG 369 Ca 0.33 0.71 0.19 0.00 -0.52 0.00 0.00 55.73 56.44 1xsi s ARG 369 Cb -0.09 -2.00 1.17 0.00 0.52 0.00 0.00 34.95 34.55 1xsi s ARG 369 CO 0.27 -1.08 1.95 -1.35 0.02 0.00 0.00 175.30 175.11 1xsi h PRO 370 N -0.69 0.26 0.00 3.54 0.11 -1.84 -0.23 132.00 133.14 1xsi h PRO 370 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xsi h PRO 370 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xsi h PRO 370 CO 0.60 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 1xsi n ASP 371 N -4.44 0.00 0.00 -2.05 5.75 -1.26 -4.91 116.55 109.64 1xsi n ASP 371 Ca 0.12 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 1xsi n ASP 371 Cb 0.54 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1xsi n ASP 371 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsi n GLY 372 N 0.75 3.02 3.77 6.12 0.00 -0.10 -5.08 105.19 113.67 1xsi n GLY 372 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1xsi n GLY 372 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsi s SER 373 N -1.31 4.20 0.34 1.61 1.04 -1.26 -4.76 113.70 113.56 1xsi s SER 373 Ca 0.00 1.49 -0.28 0.00 0.48 0.00 0.00 55.95 57.64 1xsi s SER 373 Cb 0.00 -2.21 -0.10 0.00 0.10 0.00 0.00 66.02 63.81 1xsi s SER 373 CO 0.00 -2.18 1.22 -0.76 0.98 0.00 0.00 173.24 172.50 1xsi s LEU 374 N -5.94 4.40 -0.03 2.42 1.43 -1.26 -0.74 118.68 118.96 1xsi s LEU 374 Ca 0.62 2.50 -0.30 0.00 -1.03 0.00 0.00 54.13 55.92 1xsi s LEU 374 Cb -0.16 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1xsi s LEU 374 CO 0.56 -0.48 1.33 0.86 0.23 0.00 0.00 176.35 178.85 1xsi s TRP 375 N -1.21 2.95 0.03 0.29 -0.00 -0.58 -4.63 118.94 115.79 1xsi s TRP 375 Ca 0.50 0.95 -0.06 0.00 -0.00 0.00 0.00 56.10 57.50 1xsi s TRP 375 Cb -0.36 -3.58 -0.01 0.00 -0.00 0.00 0.00 33.47 29.53 1xsi s TRP 375 CO 0.46 -2.04 0.10 -0.65 -0.00 0.00 0.00 176.95 174.82 1xsi s GLN 376 N 2.42 0.54 0.20 5.86 -0.21 -1.26 -4.46 119.66 122.75 1xsi s GLN 376 Ca 0.61 -0.65 -0.03 0.00 0.02 0.00 0.00 55.36 55.31 1xsi s GLN 376 Cb -0.29 0.21 0.01 0.00 1.00 0.00 0.00 33.01 33.95 1xsi s GLN 376 CO 0.24 -0.13 0.31 -2.67 -2.12 0.00 0.00 175.29 170.92 1xsi n TRP 377 N 1.01 -1.18 -0.48 0.91 2.14 -1.03 -4.95 117.44 113.87 1xsi n TRP 377 Ca -0.20 -1.20 0.06 0.00 2.07 0.00 0.00 57.50 58.23 1xsi n TRP 377 Cb 0.57 0.35 0.18 0.00 -0.81 0.00 0.00 31.31 31.61 1xsi n TRP 377 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1xsi n ASP 378 N -1.71 3.21 -4.78 -0.67 8.00 -1.26 -0.49 116.55 118.86 1xsi n ASP 378 Ca -0.01 -2.39 -0.38 0.00 0.71 0.00 0.00 54.79 52.72 1xsi n ASP 378 Cb 0.32 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 1xsi n ASP 378 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xsi s LYS 379 N -1.70 4.59 0.00 -1.24 1.02 -1.26 -4.33 119.74 116.82 1xsi s LYS 379 Ca 0.29 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.55 1xsi s LYS 379 Cb 0.20 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1xsi s LYS 379 CO 0.12 0.38 0.00 1.87 -0.92 0.00 0.00 175.35 176.80 1xsi n TRP 380 N 0.90 0.00 -4.30 3.18 -0.00 -1.26 -4.74 117.44 111.22 1xsi n TRP 380 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.30 1xsi n TRP 380 Cb 0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.68 1xsi n TRP 380 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xsi s GLN 381 N 0.00 0.89 0.10 5.87 -1.52 -1.26 -5.01 119.66 118.73 1xsi s GLN 381 Ca 0.00 -0.81 -0.31 0.00 -1.95 0.00 0.00 55.36 52.29 1xsi s GLN 381 Cb 0.00 -0.90 -0.09 0.00 -0.22 0.00 0.00 33.01 31.79 1xsi s GLN 381 CO 0.00 0.22 1.77 -1.25 -0.25 0.00 0.00 175.29 175.78 1xsi s PRO 382 N -1.30 4.16 -1.16 2.91 0.04 -1.26 -2.71 135.00 135.67 1xsi s PRO 382 Ca 0.00 2.50 -0.06 0.00 0.04 0.00 0.00 61.00 63.48 1xsi s PRO 382 Cb -0.08 -3.63 0.01 0.00 0.04 0.00 0.00 34.50 30.84 1xsi s PRO 382 CO 0.01 -0.81 0.80 0.41 0.04 0.00 0.00 177.00 177.46 1xsi n GLY 383 N 4.16 -0.28 3.73 0.56 0.00 -1.06 -1.52 105.19 110.79 1xsi n GLY 383 Ca 0.17 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1xsi n GLY 383 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsi s LEU 384 N -5.92 4.37 0.36 0.99 0.20 0.36 -3.40 118.68 115.63 1xsi s LEU 384 Ca 0.40 2.75 0.08 0.00 0.69 0.00 0.00 54.13 58.05 1xsi s LEU 384 Cb -0.18 -3.61 -0.05 0.00 -0.43 0.00 0.00 46.19 41.92 1xsi s LEU 384 CO 0.49 -0.83 0.09 0.00 -0.29 0.00 0.00 176.35 175.81 1xsi s ALA 385 N 0.50 3.38 -0.09 5.97 0.00 -0.19 -2.47 121.76 128.86 1xsi s ALA 385 Ca 0.66 -1.95 0.02 0.00 0.00 0.00 0.00 51.96 50.68 1xsi s ALA 385 Cb -0.45 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1xsi s ALA 385 CO 0.39 0.01 -0.17 0.42 0.00 0.00 0.00 175.76 176.41 1xsi s ILE 386 N -2.51 2.75 0.15 0.00 1.01 -1.26 -0.75 121.20 120.59 1xsi s ILE 386 Ca 0.37 -0.79 -0.31 0.00 0.00 0.00 0.00 60.65 59.91 1xsi s ILE 386 Cb 0.00 -2.10 -0.11 0.00 0.01 0.00 0.00 42.46 40.26 1xsi s ILE 386 CO 0.21 0.55 1.80 -0.31 0.00 0.00 0.00 174.94 177.19 1xsi s TYR 387 N 0.01 2.39 -0.89 3.97 1.51 -0.54 -0.00 117.35 123.80 1xsi s TYR 387 Ca -0.06 0.09 -0.20 0.00 -1.01 0.00 0.00 57.07 55.90 1xsi s TYR 387 Cb -0.15 -4.17 0.12 0.00 -0.11 0.00 0.00 41.96 37.65 1xsi s TYR 387 CO 0.05 -4.70 1.12 0.34 -1.11 0.00 0.00 175.55 171.25 1xsi s ASP 388 N 2.22 6.54 0.00 2.29 -1.08 -0.45 -4.74 116.67 121.47 1xsi s ASP 388 Ca 0.79 -1.83 0.17 0.00 -0.52 0.00 0.00 52.55 51.16 1xsi s ASP 388 Cb -0.47 -2.41 1.02 0.00 -1.46 0.00 0.00 42.92 39.59 1xsi s ASP 388 CO 0.35 -1.15 1.42 0.49 0.52 0.00 0.00 175.17 176.80 1xsi n PHE 389 N 6.89 0.00 1.46 -5.34 0.99 -1.26 -1.99 117.46 118.21 1xsi n PHE 389 Ca 0.20 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.79 1xsi n PHE 389 Cb 0.49 0.00 0.54 0.00 -1.00 0.00 0.00 39.48 39.50 1xsi n PHE 389 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1xsi n THR 390 N -1.00 0.00 -3.53 4.37 -2.24 -1.26 -4.74 114.28 105.89 1xsi n THR 390 Ca 0.13 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1xsi n THR 390 Cb 0.06 0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 1xsi n THR 390 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xsi s ASN 391 N -2.22 5.92 0.41 3.42 3.84 -0.84 -4.11 114.94 121.36 1xsi s ASN 391 Ca 0.34 -0.96 0.12 0.00 0.21 0.00 0.00 52.86 52.57 1xsi s ASN 391 Cb 0.20 -2.09 0.96 0.00 -0.55 0.00 0.00 41.25 39.78 1xsi s ASN 391 CO 0.41 -0.42 1.94 -0.65 -2.79 0.00 0.00 177.10 175.59 1xsi h PRO 392 N 8.53 0.49 -0.11 0.43 0.11 -1.85 -0.44 132.00 139.16 1xsi h PRO 392 Ca -0.26 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.61 1xsi h PRO 392 Cb 1.11 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.12 1xsi h PRO 392 CO 0.70 0.32 -0.78 -0.44 -0.21 0.00 0.00 178.00 177.59 1xsi h ASP 393 N 0.50 0.77 -0.82 -2.05 3.32 -1.93 -1.68 116.42 114.53 1xsi h ASP 393 Ca 0.33 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1xsi h ASP 393 Cb 0.62 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1xsi h ASP 393 CO -0.11 1.30 0.44 0.00 -1.72 0.00 0.00 179.24 179.15 1xsi h ALA 394 N 0.69 1.05 -0.69 3.45 0.00 -1.56 -2.10 119.26 120.09 1xsi h ALA 394 Ca -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xsi h ALA 394 Cb 1.40 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1xsi h ALA 394 CO 0.15 0.56 0.30 0.00 0.00 0.00 0.00 179.25 180.26 1xsi h LYS 396 N 0.97 1.01 -0.52 0.00 3.64 -1.13 -0.07 116.57 120.47 1xsi h LYS 396 Ca 0.23 -0.29 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 1xsi h LYS 396 Cb 0.17 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1xsi h LYS 396 CO -0.02 0.97 -0.11 2.35 -2.27 0.00 0.00 179.45 180.37 1xsi h TRP 397 N 0.92 1.09 -0.39 1.91 7.01 -0.96 0.33 115.95 125.85 1xsi h TRP 397 Ca 0.18 -0.22 -0.16 0.00 2.11 0.00 0.00 58.89 60.80 1xsi h TRP 397 Cb 0.47 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1xsi h TRP 397 CO 0.03 1.02 -0.38 -0.92 -2.79 0.00 0.00 178.44 175.40 1xsi h TYR 398 N 0.87 1.13 -0.37 2.65 3.20 -1.28 -2.74 116.97 120.44 1xsi h TYR 398 Ca 0.14 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1xsi h TYR 398 Cb 0.66 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1xsi h TYR 398 CO 0.04 1.17 0.24 0.00 -1.64 0.00 0.00 178.16 177.97 1xsi h ALA 399 N 0.79 0.47 -0.76 1.82 0.00 -0.32 -2.15 119.26 119.10 1xsi h ALA 399 Ca 0.06 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1xsi h ALA 399 Cb 0.97 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 1xsi h ALA 399 CO 0.09 -0.07 0.38 -0.44 0.00 0.00 0.00 179.25 179.21 1xsi h ASP 400 N 0.50 0.47 -0.45 0.00 3.32 -0.34 0.53 116.42 120.44 1xsi h ASP 400 Ca 0.13 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1xsi h ASP 400 Cb -0.05 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1xsi h ASP 400 CO -0.03 0.24 0.29 0.11 -1.72 0.00 0.00 179.24 178.13 1xsi h LYS 401 N 0.60 0.57 -0.53 3.56 1.79 -1.21 -1.44 116.57 119.91 1xsi h LYS 401 Ca 0.39 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1xsi h LYS 401 Cb 0.48 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1xsi h LYS 401 CO -0.31 0.38 0.35 -0.07 -1.08 0.00 0.00 179.45 178.72 1xsi h LEU 402 N 0.59 0.61 -1.42 2.94 3.38 -0.68 -2.24 115.31 118.50 1xsi h LEU 402 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1xsi h LEU 402 Cb -0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1xsi h LEU 402 CO -0.05 0.45 0.07 0.11 0.09 0.00 0.00 178.44 179.11 1xsi h LYS 403 N 0.72 0.46 -0.14 1.13 1.57 -0.64 -0.74 116.57 118.93 1xsi h LYS 403 Ca 0.20 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1xsi h LYS 403 Cb -0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1xsi h LYS 403 CO -0.04 0.43 -0.22 0.78 -0.57 0.00 0.00 179.45 179.83 1xsi h GLY 404 N 0.69 0.26 0.79 3.86 0.00 -0.70 0.07 103.07 108.05 1xsi h GLY 404 Ca 0.11 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 1xsi h GLY 404 CO -0.00 0.18 -0.59 1.41 0.00 0.00 0.00 176.54 177.54 1xsi h LEU 405 N 0.23 0.53 -0.76 3.11 3.38 -0.70 -3.02 115.31 118.09 1xsi h LEU 405 Ca 0.04 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1xsi h LEU 405 Cb 0.53 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1xsi h LEU 405 CO 0.04 1.21 0.49 0.58 0.09 0.00 0.00 178.44 180.85 1xsi h VAL 406 N -0.09 1.20 0.00 1.22 2.07 -0.88 -2.00 116.25 117.77 1xsi h VAL 406 Ca -0.07 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1xsi h VAL 406 Cb 1.29 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1xsi h VAL 406 CO 0.12 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1xsi h ALA 407 N 1.27 1.00 0.00 1.67 0.00 -1.03 0.31 119.26 122.48 1xsi h ALA 407 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xsi h ALA 407 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xsi h ALA 407 CO -0.06 0.00 -0.48 -0.12 0.00 0.00 0.00 179.25 178.59 1xsi n MET 408 N -2.97 0.05 0.00 0.00 0.00 -0.80 -4.95 117.12 108.45 1xsi n MET 408 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1xsi n MET 408 Cb 0.11 -1.53 0.00 0.00 0.00 0.00 0.00 33.22 31.80 1xsi n MET 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xsi n GLY 409 N 1.47 1.16 3.75 -5.12 0.00 0.11 -4.62 105.19 101.94 1xsi n GLY 409 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1xsi n GLY 409 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsi s VAL 410 N -2.00 3.51 -0.14 1.61 1.01 -0.90 -4.75 120.40 118.75 1xsi s VAL 410 Ca 0.00 1.38 0.12 0.00 0.00 0.00 0.00 61.98 63.48 1xsi s VAL 410 Cb 0.00 -3.88 -0.24 0.00 0.00 0.00 0.00 36.38 32.27 1xsi s VAL 410 CO 0.00 0.27 0.30 0.47 0.00 0.00 0.00 175.10 176.14 1xsi n ASP 411 N 1.88 0.75 -3.21 3.32 8.00 0.18 -4.35 116.55 123.12 1xsi n ASP 411 Ca 0.02 0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.58 1xsi n ASP 411 Cb 0.45 0.26 -0.01 0.00 -0.02 0.00 0.00 41.12 41.80 1xsi n ASP 411 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xsi s PHE 413 N -2.84 0.16 -0.51 0.00 0.40 -1.26 -2.67 117.98 111.27 1xsi s PHE 413 Ca 0.20 -0.00 -0.21 0.00 -0.60 0.00 0.00 56.93 56.32 1xsi s PHE 413 Cb -0.03 -0.17 0.05 0.00 0.51 0.00 0.00 43.02 43.38 1xsi s PHE 413 CO 0.13 -0.04 0.72 0.21 0.70 0.00 0.00 175.22 176.94 1xsi s LYS 414 N 0.29 3.20 -1.00 0.44 2.20 -0.85 -1.72 119.74 122.31 1xsi s LYS 414 Ca -0.02 -0.64 -0.19 0.00 -0.36 0.00 0.00 55.97 54.75 1xsi s LYS 414 Cb -0.04 -4.06 0.12 0.00 -1.51 0.00 0.00 37.83 32.33 1xsi s LYS 414 CO -0.01 -1.26 1.26 0.95 -0.36 0.00 0.00 175.35 175.92 1xsi s THR 415 N 3.02 4.59 0.76 3.43 -4.23 0.61 -1.90 115.64 121.91 1xsi s THR 415 Ca 0.20 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1xsi s THR 415 Cb -0.17 -4.87 0.05 0.00 1.34 0.00 0.00 72.50 68.85 1xsi s THR 415 CO 0.15 -1.63 1.11 -0.62 -0.54 0.00 0.00 174.62 173.09 1xsi s ASP 416 N 3.81 4.96 0.94 3.99 -1.08 -0.89 -1.63 116.67 126.76 1xsi s ASP 416 Ca 0.38 1.11 0.00 0.00 -0.52 0.00 0.00 52.55 53.51 1xsi s ASP 416 Cb -0.03 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.60 1xsi s ASP 416 CO -0.08 -1.65 0.00 0.49 0.52 0.00 0.00 175.17 174.45 1xsi n PHE 417 N -3.20 -0.27 0.00 -5.34 3.01 -1.26 -4.43 117.46 105.97 1xsi n PHE 417 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1xsi n PHE 417 Cb 0.58 0.12 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 1xsi n PHE 417 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xsi n GLY 418 N 0.00 0.41 0.13 1.37 0.00 -1.26 -3.92 105.19 101.92 1xsi n GLY 418 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1xsi n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xsi n GLU 419 N -1.84 0.70 -2.18 1.61 0.00 -1.26 -4.24 120.64 113.43 1xsi n GLU 419 Ca 0.00 0.30 -0.42 0.00 0.00 0.00 0.00 57.16 57.04 1xsi n GLU 419 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 31.44 29.77 1xsi n GLU 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xsi n ARG 420 N -3.67 3.26 -3.52 3.44 1.74 -1.26 -4.58 116.66 112.07 1xsi n ARG 420 Ca -0.36 -3.17 -0.40 0.00 -0.77 0.00 0.00 57.85 53.15 1xsi n ARG 420 Cb 0.96 -3.13 -0.10 0.00 -1.02 0.00 0.00 32.46 29.17 1xsi n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xsi s ILE 421 N 1.96 5.27 0.82 0.55 -1.09 -1.26 -5.06 121.20 122.38 1xsi s ILE 421 Ca 0.44 -0.00 -0.11 0.00 -2.23 0.00 0.00 60.65 58.75 1xsi s ILE 421 Cb 0.10 -3.67 0.08 0.00 -1.58 0.00 0.00 42.46 37.39 1xsi s ILE 421 CO -0.03 0.07 1.09 -2.16 -1.23 0.00 0.00 174.94 172.68 1xsi s PRO 422 N 1.80 1.90 -0.01 2.79 0.04 -1.26 -4.74 135.00 135.53 1xsi s PRO 422 Ca 0.08 0.92 0.09 0.00 0.04 0.00 0.00 61.00 62.13 1xsi s PRO 422 Cb -0.17 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 1xsi s PRO 422 CO 0.11 -1.82 0.27 0.25 0.04 0.00 0.00 177.00 175.85 1xsi n THR 423 N -3.61 0.00 -1.96 1.26 -2.24 -1.26 -4.75 114.28 101.72 1xsi n THR 423 Ca 0.08 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1xsi n THR 423 Cb 0.54 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 1xsi n THR 423 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xsi n ASP 424 N -1.56 7.45 -3.90 3.42 3.85 -1.26 -4.78 116.55 119.76 1xsi n ASP 424 Ca -0.00 -3.05 -0.09 0.00 -0.71 0.00 0.00 54.79 50.93 1xsi n ASP 424 Cb 0.20 -1.42 -0.05 0.00 -1.35 0.00 0.00 41.12 38.49 1xsi n ASP 424 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1xsi s VAL 425 N -0.29 0.03 -0.16 2.12 -7.23 -1.26 -4.53 120.40 109.08 1xsi s VAL 425 Ca 0.53 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.52 1xsi s VAL 425 Cb 0.17 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 35.24 1xsi s VAL 425 CO -0.07 -0.13 -0.17 -1.58 -0.31 0.00 0.00 175.10 172.84 1xsi s GLN 426 N -3.95 2.58 0.30 4.82 0.74 -0.24 -4.71 119.66 119.20 1xsi s GLN 426 Ca 0.16 -0.67 -0.29 0.00 0.05 0.00 0.00 55.36 54.61 1xsi s GLN 426 Cb 0.00 -2.27 -0.10 0.00 1.10 0.00 0.00 33.01 31.74 1xsi s GLN 426 CO 0.02 -0.20 1.13 -1.58 -0.55 0.00 0.00 175.29 174.11 1xsi s TRP 427 N 1.35 3.45 0.27 1.67 0.52 -1.26 -4.05 118.94 120.88 1xsi s TRP 427 Ca 0.04 1.65 -0.05 0.00 0.02 0.00 0.00 56.10 57.76 1xsi s TRP 427 Cb -0.13 -3.33 0.51 0.00 -1.15 0.00 0.00 33.47 29.37 1xsi s TRP 427 CO -0.10 -0.78 1.45 0.34 0.02 0.00 0.00 176.95 177.87 1xsi n PHE 428 N 0.97 0.41 1.72 -1.98 7.35 -1.26 -0.79 117.46 123.89 1xsi n PHE 428 Ca -0.00 1.13 0.15 0.00 -0.76 0.00 0.00 57.45 57.96 1xsi n PHE 428 Cb 0.45 -1.09 0.72 0.00 0.35 0.00 0.00 39.48 39.91 1xsi n PHE 428 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1xsi n ASP 429 N -5.46 0.81 -0.57 -2.13 5.75 -1.26 -4.90 116.55 108.78 1xsi n ASP 429 Ca 0.17 -1.26 -0.07 0.00 -0.01 0.00 0.00 54.79 53.62 1xsi n ASP 429 Cb 0.54 -0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.60 1xsi n ASP 429 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsi n GLY 430 N 1.10 0.94 3.47 6.12 0.00 0.03 -5.00 105.19 111.84 1xsi n GLY 430 Ca 0.21 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1xsi n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsi n SER 431 N 0.38 -1.21 -4.64 1.61 7.64 -1.26 -4.91 113.62 111.23 1xsi n SER 431 Ca -0.07 0.57 -0.42 0.00 1.01 0.00 0.00 58.87 59.96 1xsi n SER 431 Cb 0.28 -1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.23 1xsi n SER 431 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xsi s ASP 432 N -1.52 6.23 0.53 6.43 -1.08 0.78 -4.62 116.67 123.43 1xsi s ASP 432 Ca 0.65 2.16 0.20 0.00 -0.52 0.00 0.00 52.55 55.03 1xsi s ASP 432 Cb -0.34 -2.53 1.37 0.00 -1.46 0.00 0.00 42.92 39.97 1xsi s ASP 432 CO 0.58 -1.30 2.13 -0.65 0.52 0.00 0.00 175.17 176.46 1xsi h PRO 433 N 11.50 0.00 -0.02 4.34 0.11 -1.88 -2.11 132.00 143.94 1xsi h PRO 433 Ca -0.42 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.57 1xsi h PRO 433 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1xsi h PRO 433 CO 0.96 0.00 -0.54 1.96 -0.21 0.00 0.00 178.00 180.18 1xsi h GLN 434 N 0.00 0.05 0.08 1.05 1.08 -1.89 -2.93 115.11 112.54 1xsi h GLN 434 Ca 0.04 -0.03 -0.25 0.00 -1.45 0.00 0.00 58.65 56.96 1xsi h GLN 434 Cb 0.19 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1xsi h GLN 434 CO -0.00 0.57 -1.17 0.87 -0.95 0.00 0.00 178.83 178.15 1xsi h LYS 435 N 0.04 0.16 0.00 1.46 1.57 -1.67 -3.35 116.57 114.79 1xsi h LYS 435 Ca -0.00 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1xsi h LYS 435 Cb 0.96 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1xsi h LYS 435 CO 0.07 1.12 -0.45 0.52 -0.57 0.00 0.00 179.45 180.15 1xsi h MET 436 N 0.04 0.00 -0.40 3.15 2.86 -1.35 -2.85 114.93 116.38 1xsi h MET 436 Ca -0.09 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1xsi h MET 436 Cb 1.90 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.47 1xsi h MET 436 CO 0.17 0.45 -0.37 1.25 1.06 0.00 0.00 176.91 179.47 1xsi h HIS 437 N 0.00 -1.04 0.12 -0.22 -0.00 -1.64 0.14 115.15 112.51 1xsi h HIS 437 Ca -0.00 0.06 -0.18 0.00 -0.00 0.00 0.00 60.37 60.25 1xsi h HIS 437 Cb 1.10 0.51 0.01 0.00 -0.00 0.00 0.00 27.41 29.04 1xsi h HIS 437 CO 0.00 -0.41 -0.81 -0.91 -0.00 0.00 0.00 177.93 175.81 1xsi h ASN 438 N -0.28 0.39 -0.01 3.26 2.35 -1.78 -3.35 115.58 116.16 1xsi h ASN 438 Ca 0.16 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 1xsi h ASN 438 Cb 0.56 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1xsi h ASN 438 CO -0.55 1.38 0.01 -0.74 -1.65 0.00 0.00 177.43 175.88 1xsi h HIS 439 N -0.45 0.00 -0.84 1.19 2.76 -1.38 -2.45 115.15 113.99 1xsi h HIS 439 Ca -0.15 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.16 1xsi h HIS 439 Cb 1.58 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 30.44 1xsi h HIS 439 CO 0.20 0.00 0.42 -0.92 -1.30 0.00 0.00 177.93 176.32 1xsi h TYR 440 N 0.00 0.73 -0.85 5.26 3.20 -0.85 -0.60 116.97 123.87 1xsi h TYR 440 Ca 0.00 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1xsi h TYR 440 Cb 0.02 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 1xsi h TYR 440 CO 0.00 0.17 0.55 0.00 -1.64 0.00 0.00 178.16 177.24 1xsi h ALA 441 N 1.56 1.55 -0.14 1.82 0.00 -1.61 0.45 119.26 122.88 1xsi h ALA 441 Ca 0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1xsi h ALA 441 Cb 0.65 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xsi h ALA 441 CO -0.37 0.33 -0.09 -0.92 0.00 0.00 0.00 179.25 178.20 1xsi h TYR 442 N 0.97 0.36 -0.34 0.00 3.20 -1.28 -2.46 116.97 117.41 1xsi h TYR 442 Ca 0.36 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1xsi h TYR 442 Cb 0.18 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1xsi h TYR 442 CO -0.00 0.67 0.13 0.82 -1.64 0.00 0.00 178.16 178.13 1xsi h ILE 443 N -0.04 1.19 0.28 1.81 1.08 -0.52 0.44 117.51 121.75 1xsi h ILE 443 Ca 0.03 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1xsi h ILE 443 Cb 0.58 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1xsi h ILE 443 CO 0.03 0.21 -0.14 0.22 -0.69 0.00 0.00 178.15 177.78 1xsi h TYR 444 N 0.41 -0.37 -0.05 1.37 -0.00 -1.04 -1.41 116.97 115.88 1xsi h TYR 444 Ca 0.11 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.73 58.72 1xsi h TYR 444 Cb 0.21 0.12 -0.01 0.00 -0.00 0.00 0.00 36.73 37.05 1xsi h TYR 444 CO 0.00 -0.23 -0.52 -0.91 -0.00 0.00 0.00 178.16 176.50 1xsi h ASN 445 N -0.39 0.15 -0.14 -2.11 2.35 -1.26 -2.39 115.58 111.79 1xsi h ASN 445 Ca -0.04 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 1xsi h ASN 445 Cb 0.30 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1xsi h ASN 445 CO 0.06 0.64 -0.23 -0.08 -1.65 0.00 0.00 177.43 176.17 1xsi h GLU 446 N 0.11 0.58 -0.12 0.81 4.81 -0.73 -0.68 114.58 119.36 1xsi h GLU 446 Ca 0.00 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1xsi h GLU 446 Cb 0.96 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1xsi h GLU 446 CO 0.07 0.77 0.00 1.25 -0.73 0.00 0.00 179.01 180.37 1xsi h LEU 447 N 0.51 0.20 -0.60 1.64 6.46 -0.98 -1.87 115.31 120.68 1xsi h LEU 447 Ca 0.08 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.49 1xsi h LEU 447 Cb 0.67 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1xsi h LEU 447 CO 0.05 0.46 0.22 0.58 -0.62 0.00 0.00 178.44 179.13 1xsi h VAL 448 N -0.06 1.23 -0.62 1.05 2.07 -1.24 -2.20 116.25 116.48 1xsi h VAL 448 Ca 0.03 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1xsi h VAL 448 Cb 0.35 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1xsi h VAL 448 CO 0.01 0.29 0.38 -0.25 0.02 0.00 0.00 177.57 178.01 1xsi h TRP 449 N 0.83 0.71 0.00 1.57 2.91 -1.08 -2.43 115.95 118.46 1xsi h TRP 449 Ca 0.20 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 1xsi h TRP 449 Cb 0.23 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 28.64 1xsi h TRP 449 CO 0.01 0.40 -0.16 -0.91 -1.03 0.00 0.00 178.44 176.76 1xsi h ASN 450 N 0.74 0.00 0.12 2.65 2.35 -1.03 0.79 115.58 121.20 1xsi h ASN 450 Ca 0.25 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1xsi h ASN 450 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1xsi h ASN 450 CO -0.11 0.16 -0.06 0.58 -1.65 0.00 0.00 177.43 176.35 1xsi h VAL 451 N 0.00 1.07 0.14 2.81 2.07 -0.91 -1.47 116.25 119.95 1xsi h VAL 451 Ca -0.00 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.59 1xsi h VAL 451 Cb 0.41 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1xsi h VAL 451 CO 0.02 0.22 -0.36 -0.07 0.02 0.00 0.00 177.57 177.40 1xsi h LEU 452 N -0.63 -1.04 -0.83 2.57 4.07 -1.23 -1.36 115.31 116.86 1xsi h LEU 452 Ca -0.02 0.12 0.21 0.00 0.08 0.00 0.00 57.88 58.27 1xsi h LEU 452 Cb 0.49 0.39 -0.14 0.00 1.08 0.00 0.00 40.66 42.48 1xsi h LEU 452 CO 0.03 -0.45 0.14 0.50 -1.08 0.00 0.00 178.44 177.58 1xsi h LYS 453 N -0.60 0.16 0.00 1.13 3.64 -0.90 0.94 116.57 120.94 1xsi h LYS 453 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1xsi h LYS 453 Cb 0.62 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1xsi h LYS 453 CO -0.20 0.11 0.00 -0.25 -2.27 0.00 0.00 179.45 176.84 1xsi n ASP 454 N -5.28 0.00 0.00 4.20 8.00 -0.55 -3.04 116.55 119.88 1xsi n ASP 454 Ca 0.18 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1xsi n ASP 454 Cb 0.60 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1xsi n ASP 454 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xsi n THR 455 N -1.38 0.00 0.47 -3.53 -2.24 0.14 -4.84 114.28 102.90 1xsi n THR 455 Ca 0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 1xsi n THR 455 Cb 0.23 -0.67 0.46 0.00 -2.10 0.00 0.00 70.33 68.25 1xsi n THR 455 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1xsi n VAL 456 N -1.67 0.78 0.00 2.28 0.24 -0.12 -4.99 118.33 114.84 1xsi n VAL 456 Ca 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 1xsi n VAL 456 Cb 0.00 -1.01 0.00 0.00 -1.47 0.00 0.00 33.84 31.36 1xsi n VAL 456 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xsi n GLY 457 N 0.29 1.18 0.33 7.63 0.00 -0.99 -4.41 105.19 109.22 1xsi n GLY 457 Ca 0.03 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.61 1xsi n GLY 457 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsi h GLU 458 N 0.00 0.02 0.00 1.61 4.81 -1.81 0.25 114.58 119.46 1xsi h GLU 458 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xsi h GLU 458 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1xsi h GLU 458 CO 0.00 0.02 0.00 0.93 -0.73 0.00 0.00 179.01 179.23 1xsi h GLU 459 N 0.02 0.00 -0.02 1.92 3.07 -1.92 -1.85 114.58 115.81 1xsi h GLU 459 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1xsi h GLU 459 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1xsi h GLU 459 CO -0.89 0.00 -0.26 0.39 -1.40 0.00 0.00 179.01 176.86 1xsi n GLU 460 N -2.56 1.70 -2.33 2.33 -0.58 0.84 -3.97 120.64 116.07 1xsi n GLU 460 Ca 0.01 -1.40 -0.42 0.00 -0.42 0.00 0.00 57.16 54.93 1xsi n GLU 460 Cb 0.22 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 1xsi n GLU 460 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsi s ALA 461 N -2.22 3.49 -0.03 0.62 0.00 -0.70 -4.84 121.76 118.08 1xsi s ALA 461 Ca 0.22 0.89 -0.25 0.00 0.00 0.00 0.00 51.96 52.82 1xsi s ALA 461 Cb 0.19 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.85 1xsi s ALA 461 CO 0.44 -0.62 0.54 0.54 0.00 0.00 0.00 175.76 176.66 1xsi s VAL 462 N 1.51 0.02 0.33 0.00 0.11 -1.26 -4.52 120.40 116.59 1xsi s VAL 462 Ca 0.61 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.51 1xsi s VAL 462 Cb -0.31 -0.86 -0.06 0.00 -1.53 0.00 0.00 36.38 33.62 1xsi s VAL 462 CO 0.28 -0.10 0.07 -0.76 -3.33 0.00 0.00 175.10 171.26 1xsi s LEU 463 N -1.29 2.11 -0.29 2.54 1.43 -0.24 -3.99 118.68 118.95 1xsi s LEU 463 Ca -0.12 -1.41 0.01 0.00 -1.03 0.00 0.00 54.13 51.58 1xsi s LEU 463 Cb -0.02 -0.32 0.09 0.00 0.03 0.00 0.00 46.19 45.97 1xsi s LEU 463 CO 0.07 -0.65 0.04 0.12 0.23 0.00 0.00 176.35 176.16 1xsi s PHE 464 N -3.33 2.31 -0.11 0.29 5.36 -0.70 -3.87 117.98 117.93 1xsi s PHE 464 Ca 0.35 -1.97 0.01 0.00 -0.96 0.00 0.00 56.93 54.36 1xsi s PHE 464 Cb 0.08 -1.91 -0.02 0.00 -0.34 0.00 0.00 43.02 40.84 1xsi s PHE 464 CO 0.15 -0.85 -0.13 0.00 -1.46 0.00 0.00 175.22 172.93 1xsi s ALA 465 N 1.41 2.64 -0.07 11.12 0.00 0.85 -0.29 121.76 137.43 1xsi s ALA 465 Ca 0.05 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 1xsi s ALA 465 Cb -0.18 -1.16 -0.26 0.00 0.00 0.00 0.00 23.12 21.53 1xsi s ALA 465 CO -0.15 0.33 0.57 -0.09 0.00 0.00 0.00 175.76 176.42 1xsi h ARG 466 N 6.33 0.19 -5.84 0.00 2.43 -1.58 -2.39 114.38 113.51 1xsi h ARG 466 Ca -0.31 -0.32 -0.59 0.00 -0.81 0.00 0.00 59.98 57.95 1xsi h ARG 466 Cb 1.20 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 30.76 1xsi h ARG 466 CO 0.54 0.98 -0.56 -1.54 -1.51 0.00 0.00 179.97 177.88 1xsi s SER 467 N -6.75 4.17 0.17 -3.80 1.04 -1.25 -4.48 113.70 102.80 1xsi s SER 467 Ca -0.14 -1.17 -0.24 0.00 0.48 0.00 0.00 55.95 54.88 1xsi s SER 467 Cb 0.07 -0.46 0.06 0.00 0.10 0.00 0.00 66.02 65.79 1xsi s SER 467 CO 0.81 -0.44 0.95 0.00 0.98 0.00 0.00 173.24 175.53 1xsi s ALA 468 N -2.62 -1.59 0.27 5.32 0.00 -1.25 -4.92 121.76 116.97 1xsi s ALA 468 Ca 0.38 0.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 1xsi s ALA 468 Cb 0.05 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1xsi s ALA 468 CO 0.20 -1.05 0.66 0.45 0.00 0.00 0.00 175.76 176.02 1xsi s SER 469 N -3.00 -0.21 0.10 0.00 0.15 -1.26 -3.56 113.70 105.92 1xsi s SER 469 Ca 0.13 -0.70 -0.36 0.00 0.70 0.00 0.00 55.95 55.72 1xsi s SER 469 Cb -0.02 0.69 -0.16 0.00 -1.71 0.00 0.00 66.02 64.82 1xsi s SER 469 CO 0.03 -1.30 1.33 0.52 1.20 0.00 0.00 173.24 175.03 1xsi n VAL 470 N -0.44 0.09 0.00 4.45 0.31 -1.26 -1.56 118.33 119.93 1xsi n VAL 470 Ca -0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1xsi n VAL 470 Cb 0.60 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 1xsi n VAL 470 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsi n GLY 471 N 2.51 2.04 0.05 2.92 0.00 -1.26 -4.63 105.19 106.82 1xsi n GLY 471 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1xsi n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsi n ALA 472 N -1.97 2.83 0.33 4.61 0.00 -0.60 -2.30 120.51 123.41 1xsi n ALA 472 Ca 0.00 -0.24 0.18 0.00 0.00 0.00 0.00 53.44 53.38 1xsi n ALA 472 Cb 0.00 -1.32 0.94 0.00 0.00 0.00 0.00 19.45 19.07 1xsi n ALA 472 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1xsi h GLN 473 N 0.25 0.00 0.00 0.00 -0.00 -1.88 -1.82 115.11 111.66 1xsi h GLN 473 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xsi h GLN 473 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.92 1xsi h GLN 473 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 178.83 179.70 1xsi h LYS 474 N 0.00 0.00 -2.37 0.06 1.57 -1.60 -3.33 116.57 110.90 1xsi h LYS 474 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 1xsi h LYS 474 Cb 0.47 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.39 1xsi h LYS 474 CO -0.00 0.00 -0.25 1.19 -0.57 0.00 0.00 179.45 179.82 1xsi n PHE 475 N -2.83 3.32 -0.93 -1.35 3.72 -0.68 -3.61 117.46 115.09 1xsi n PHE 475 Ca -0.01 -3.77 -0.30 0.00 -0.05 0.00 0.00 57.45 53.32 1xsi n PHE 475 Cb 0.14 -0.73 0.18 0.00 -0.94 0.00 0.00 39.48 38.13 1xsi n PHE 475 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xsi s PRO 476 N -2.57 0.58 -0.01 -1.08 0.04 -1.25 -4.71 135.00 126.00 1xsi s PRO 476 Ca 0.38 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1xsi s PRO 476 Cb 0.13 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.95 1xsi s PRO 476 CO 0.02 -2.74 0.02 1.55 0.04 0.00 0.00 177.00 175.89 1xsi n VAL 477 N -4.25 -4.27 -4.83 -0.36 3.14 -1.25 -1.08 118.33 105.43 1xsi n VAL 477 Ca 0.07 0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 61.63 1xsi n VAL 477 Cb 0.54 -3.75 -0.13 0.00 -1.06 0.00 0.00 33.84 29.44 1xsi n VAL 477 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1xsi s HIS 478 N -0.10 2.58 0.13 1.45 3.76 -1.22 -0.10 115.29 121.78 1xsi s HIS 478 Ca -0.02 -0.25 0.09 0.00 -0.15 0.00 0.00 55.06 54.73 1xsi s HIS 478 Cb 0.00 -1.53 -0.04 0.00 1.11 0.00 0.00 32.58 32.13 1xsi s HIS 478 CO 0.06 0.19 -0.20 1.67 -0.85 0.00 0.00 174.74 175.61 1xsi s TRP 479 N -0.81 1.84 -1.94 1.40 -2.14 -0.90 -0.93 118.94 115.45 1xsi s TRP 479 Ca 0.13 -0.43 0.00 0.00 2.66 0.00 0.00 56.10 58.46 1xsi s TRP 479 Cb -0.10 -0.97 0.00 0.00 -3.10 0.00 0.00 33.47 29.29 1xsi s TRP 479 CO 0.03 0.26 0.71 0.41 -2.66 0.00 0.00 176.95 175.70 1xsi n GLY 480 N 0.78 -0.62 7.00 3.67 0.00 -0.98 -4.67 105.19 110.37 1xsi n GLY 480 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1xsi n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsi n GLY 481 N 0.22 -0.32 3.52 -0.02 0.00 -1.26 -4.65 105.19 102.68 1xsi n GLY 481 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 1xsi n GLY 481 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsi s ASP 482 N -4.00 6.88 0.68 1.61 1.01 -1.26 -4.68 116.67 116.91 1xsi s ASP 482 Ca 0.00 -2.52 -0.05 0.00 0.71 0.00 0.00 52.55 50.70 1xsi s ASP 482 Cb 0.00 -2.50 0.07 0.00 1.01 0.00 0.00 42.92 41.50 1xsi s ASP 482 CO 0.00 -1.04 0.97 0.00 0.21 0.00 0.00 175.17 175.31 1xsi s TYR 484 N -3.14 2.94 -1.40 0.00 2.02 -1.26 -1.19 117.35 115.32 1xsi s TYR 484 Ca 0.61 -0.13 -0.09 0.00 -0.37 0.00 0.00 57.07 57.09 1xsi s TYR 484 Cb -0.10 -1.37 0.07 0.00 -0.40 0.00 0.00 41.96 40.17 1xsi s TYR 484 CO 0.43 0.54 2.37 0.00 -1.57 0.00 0.00 175.55 177.33 1xsi n ALA 485 N -0.63 6.47 -2.86 3.71 0.00 -0.82 -4.35 120.51 122.03 1xsi n ALA 485 Ca -0.08 -3.99 -0.10 0.00 0.00 0.00 0.00 53.44 49.28 1xsi n ALA 485 Cb 0.57 -3.07 -0.06 0.00 0.00 0.00 0.00 19.45 16.89 1xsi n ALA 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsi s ASN 486 N 1.28 -0.01 0.23 0.00 2.20 -1.26 -4.41 114.94 112.97 1xsi s ASN 486 Ca 0.53 -0.92 -0.02 0.00 -0.94 0.00 0.00 52.86 51.52 1xsi s ASN 486 Cb 0.16 0.49 0.26 0.00 -2.00 0.00 0.00 41.25 40.15 1xsi s ASN 486 CO -0.06 -0.98 1.65 1.88 -2.94 0.00 0.00 177.10 176.65 1xsi h TYR 487 N 2.43 0.76 -0.86 1.54 0.05 -1.91 -1.79 116.97 117.18 1xsi h TYR 487 Ca -0.30 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 1xsi h TYR 487 Cb 1.24 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 38.76 1xsi h TYR 487 CO 0.39 0.85 0.51 0.93 -1.05 0.00 0.00 178.16 179.79 1xsi h GLU 488 N 0.58 1.18 0.10 4.88 3.07 -1.94 -0.56 114.58 121.89 1xsi h GLU 488 Ca 0.08 -0.11 -0.26 0.00 -0.50 0.00 0.00 59.36 58.57 1xsi h GLU 488 Cb 0.73 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1xsi h GLU 488 CO 0.06 0.83 -1.17 1.03 -1.40 0.00 0.00 179.01 178.36 1xsi h SER 489 N 1.19 0.49 -0.78 1.42 0.87 -1.75 -1.14 113.55 113.85 1xsi h SER 489 Ca 0.31 -0.48 0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1xsi h SER 489 Cb -0.04 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 61.70 1xsi h SER 489 CO -0.06 1.34 0.45 -0.03 -0.53 0.00 0.00 176.83 178.01 1xsi h MET 490 N 0.13 0.78 -0.25 2.24 -1.53 -1.09 0.84 114.93 116.04 1xsi h MET 490 Ca -0.13 -0.05 -0.07 0.00 -3.44 0.00 0.00 59.70 56.02 1xsi h MET 490 Cb 1.87 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 32.73 1xsi h MET 490 CO 0.20 0.52 -0.11 0.00 0.14 0.00 0.00 176.91 177.65 1xsi h ALA 491 N 1.41 0.36 -0.70 0.39 0.00 -0.97 -2.32 119.26 117.42 1xsi h ALA 491 Ca 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xsi h ALA 491 Cb 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xsi h ALA 491 CO -0.21 0.21 0.40 1.05 0.00 0.00 0.00 179.25 180.70 1xsi h GLU 492 N 0.25 0.95 -0.25 0.00 4.11 -0.98 -1.49 114.58 117.17 1xsi h GLU 492 Ca 0.06 -0.09 0.03 0.00 0.07 0.00 0.00 59.36 59.43 1xsi h GLU 492 Cb 0.62 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1xsi h GLU 492 CO 0.04 0.69 0.04 0.77 0.07 0.00 0.00 179.01 180.61 1xsi h SER 493 N 0.96 -0.01 -0.61 3.06 0.02 -0.65 -1.67 113.55 114.64 1xsi h SER 493 Ca 0.25 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1xsi h SER 493 Cb -0.00 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1xsi h SER 493 CO -0.04 0.03 0.35 0.25 -1.14 0.00 0.00 176.83 176.27 1xsi h LEU 494 N 0.13 0.75 -1.35 5.07 5.85 -0.83 0.28 115.31 125.21 1xsi h LEU 494 Ca 0.11 -0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.87 1xsi h LEU 494 Cb 0.12 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 1xsi h LEU 494 CO -0.16 0.62 0.53 0.03 -0.34 0.00 0.00 178.44 179.12 1xsi h ARG 495 N 0.83 0.67 -0.33 1.25 3.08 -0.91 0.15 114.38 119.11 1xsi h ARG 495 Ca 0.22 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 1xsi h ARG 495 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1xsi h ARG 495 CO -0.04 0.44 -0.07 0.78 -1.07 0.00 0.00 179.97 180.02 1xsi h GLY 496 N 0.69 0.69 1.51 0.04 0.00 0.43 -0.89 103.07 105.53 1xsi h GLY 496 Ca 0.39 -0.56 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 1xsi h GLY 496 CO -0.16 0.51 -0.67 -1.33 0.00 0.00 0.00 176.54 174.89 1xsi h GLY 497 N 0.42 0.55 0.61 4.60 0.00 -0.40 -1.45 103.07 107.39 1xsi h GLY 497 Ca 0.09 -0.72 0.06 0.00 0.00 0.00 0.00 47.33 46.75 1xsi h GLY 497 CO 0.03 0.64 0.20 1.41 0.00 0.00 0.00 176.54 178.82 1xsi h LEU 498 N 0.35 0.23 -0.91 3.11 3.38 -0.64 -2.91 115.31 117.93 1xsi h LEU 498 Ca -0.02 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1xsi h LEU 498 Cb 1.24 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1xsi h LEU 498 CO 0.12 0.17 -0.23 0.28 0.09 0.00 0.00 178.44 178.87 1xsi h SER 499 N 0.39 0.54 0.51 -0.43 0.02 -0.84 -2.33 113.55 111.41 1xsi h SER 499 Ca 0.23 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 1xsi h SER 499 Cb 0.21 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1xsi h SER 499 CO -0.21 0.76 -0.56 -0.29 -1.14 0.00 0.00 176.83 175.40 1xsi h ILE 500 N 0.48 1.39 -0.11 3.27 2.10 -1.13 -1.02 117.51 122.49 1xsi h ILE 500 Ca 0.07 -1.90 -0.14 0.00 1.08 0.00 0.00 64.86 63.97 1xsi h ILE 500 Cb 0.65 2.01 -0.01 0.00 -1.09 0.00 0.00 36.82 38.38 1xsi h ILE 500 CO 0.05 0.55 -0.54 1.23 -1.08 0.00 0.00 178.15 178.36 1xsi h GLY 501 N 1.62 0.34 2.00 8.18 0.00 -1.29 -0.39 103.07 113.54 1xsi h GLY 501 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1xsi h GLY 501 CO 0.08 0.35 0.00 1.04 0.00 0.00 0.00 176.54 178.01 1xsi n LEU 502 N -3.93 0.39 -1.19 3.11 4.77 -0.91 -2.77 117.00 116.47 1xsi n LEU 502 Ca -0.02 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.63 1xsi n LEU 502 Cb 0.58 -0.53 0.29 0.00 -2.33 0.00 0.00 43.42 41.42 1xsi n LEU 502 CO 0.44 -0.40 0.75 -1.20 -1.33 0.00 0.00 177.39 175.65 1xsi n SER 503 N -1.93 4.21 0.00 -1.43 7.64 -0.42 -4.62 113.62 117.07 1xsi n SER 503 Ca 0.03 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.30 1xsi n SER 503 Cb 0.22 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1xsi n SER 503 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xsi n GLY 504 N 0.38 0.83 3.58 0.23 0.00 -1.11 -4.91 105.19 104.19 1xsi n GLY 504 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1xsi n GLY 504 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xsi s PHE 505 N -2.09 3.15 -0.07 1.61 0.08 -0.24 -4.75 117.98 115.68 1xsi s PHE 505 Ca 0.00 -0.08 0.14 0.00 0.12 0.00 0.00 56.93 57.11 1xsi s PHE 505 Cb 0.00 -2.02 -0.16 0.00 -0.57 0.00 0.00 43.02 40.27 1xsi s PHE 505 CO 0.00 0.08 0.88 0.78 -0.10 0.00 0.00 175.22 176.86 1xsi h GLY 506 N 6.66 0.00 -5.45 4.36 0.00 -1.87 -3.29 103.07 103.48 1xsi h GLY 506 Ca -0.35 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.61 1xsi h GLY 506 CO 0.67 0.00 -0.77 -1.36 0.00 0.00 0.00 176.54 175.08 1xsi s PHE 507 N -2.80 0.68 -0.22 5.60 0.08 -1.26 -2.28 117.98 117.79 1xsi s PHE 507 Ca -0.02 -0.14 -0.10 0.00 0.12 0.00 0.00 56.93 56.79 1xsi s PHE 507 Cb 0.08 -0.47 0.09 0.00 -0.57 0.00 0.00 43.02 42.15 1xsi s PHE 507 CO 0.81 -0.04 0.50 -0.46 -0.10 0.00 0.00 175.22 175.92 1xsi s TRP 508 N 0.02 -0.87 0.29 0.36 -0.00 -1.26 -3.37 118.94 114.12 1xsi s TRP 508 Ca 0.00 1.68 0.02 0.00 -0.00 0.00 0.00 56.10 57.80 1xsi s TRP 508 Cb -0.05 0.43 0.02 0.00 -0.00 0.00 0.00 33.47 33.87 1xsi s TRP 508 CO -0.00 -0.48 0.17 0.45 -0.00 0.00 0.00 176.95 177.09 1xsi n SER 509 N 4.88 2.15 -3.50 5.86 2.88 -0.11 -3.56 113.62 122.22 1xsi n SER 509 Ca -0.16 -2.07 -0.09 0.00 -1.33 0.00 0.00 58.87 55.23 1xsi n SER 509 Cb 0.53 0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 1xsi n SER 509 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1xsi s HIS 510 N -1.60 -0.35 -0.42 0.66 -3.43 -1.26 -2.33 115.29 106.55 1xsi s HIS 510 Ca 0.13 0.21 -0.29 0.00 -0.80 0.00 0.00 55.06 54.31 1xsi s HIS 510 Cb -0.01 0.54 0.02 0.00 -1.43 0.00 0.00 32.58 31.70 1xsi s HIS 510 CO 0.08 -0.58 1.25 -0.51 -2.00 0.00 0.00 174.74 172.99 1xsi s ASP 511 N -2.51 6.56 0.07 7.38 -0.00 -1.26 -4.17 116.67 122.74 1xsi s ASP 511 Ca 0.05 0.75 -0.31 0.00 -0.00 0.00 0.00 52.55 53.04 1xsi s ASP 511 Cb -0.01 -2.54 -0.08 0.00 -0.00 0.00 0.00 42.92 40.28 1xsi s ASP 511 CO -0.09 -1.26 1.64 -0.63 -0.00 0.00 0.00 175.17 174.83 1xsi s ILE 512 N 4.72 3.02 0.00 0.77 1.01 -0.49 -0.88 121.20 129.35 1xsi s ILE 512 Ca 0.54 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.68 1xsi s ILE 512 Cb -0.11 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1xsi s ILE 512 CO 0.29 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1xsi n GLY 513 N 3.97 0.87 0.00 6.18 0.00 -1.26 -4.22 105.19 110.73 1xsi n GLY 513 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1xsi n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsi n GLY 514 N -2.00 -0.94 0.00 -0.02 0.00 -0.06 -4.33 105.19 97.84 1xsi n GLY 514 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1xsi n GLY 514 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xsi n PHE 515 N -0.65 0.00 -2.81 1.61 -0.00 -0.99 -4.40 117.46 110.22 1xsi n PHE 515 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.04 1xsi n PHE 515 Cb 0.00 -0.19 -0.04 0.00 -0.00 0.00 0.00 39.48 39.24 1xsi n PHE 515 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1xsi s GLU 516 N -0.93 4.61 0.00 -4.13 0.41 -0.33 -1.00 118.70 117.33 1xsi s GLU 516 Ca 0.00 1.32 0.00 0.00 -0.41 0.00 0.00 54.97 55.88 1xsi s GLU 516 Cb 0.00 -3.39 0.00 0.00 -1.78 0.00 0.00 34.13 28.96 1xsi s GLU 516 CO 0.00 0.19 0.00 0.09 -0.49 0.00 0.00 175.26 175.05 1xsi n ASN 517 N 2.97 0.00 -4.59 -0.19 5.03 -1.26 -1.94 115.26 115.27 1xsi n ASN 517 Ca 0.01 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.10 1xsi n ASN 517 Cb 0.50 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.15 1xsi n ASN 517 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xsi s THR 518 N -2.88 4.88 0.36 3.41 2.01 -1.26 -4.58 115.64 117.59 1xsi s THR 518 Ca 0.00 0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.75 1xsi s THR 518 Cb 0.00 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 1xsi s THR 518 CO 0.00 0.38 1.15 0.00 -0.69 0.00 0.00 174.62 175.47 1xsi s ALA 519 N 0.98 3.24 0.73 7.40 0.00 -1.26 -4.96 121.76 127.89 1xsi s ALA 519 Ca 0.05 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 52.82 1xsi s ALA 519 Cb -0.14 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.65 1xsi s ALA 519 CO 0.03 -0.42 1.22 -1.25 0.00 0.00 0.00 175.76 175.34 1xsi s PRO 520 N -2.06 2.14 0.31 0.00 0.04 -1.26 -4.81 135.00 129.36 1xsi s PRO 520 Ca 0.53 1.80 0.06 0.00 0.04 0.00 0.00 61.00 63.43 1xsi s PRO 520 Cb -0.31 -1.83 0.72 0.00 0.04 0.00 0.00 34.50 33.12 1xsi s PRO 520 CO 0.40 -1.84 1.82 0.00 0.04 0.00 0.00 177.00 177.41 1xsi h ALA 521 N -0.25 1.69 -0.82 8.56 0.00 -1.95 -2.04 119.26 124.46 1xsi h ALA 521 Ca -0.48 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xsi h ALA 521 Cb 1.30 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1xsi h ALA 521 CO 0.50 -0.00 0.50 1.12 0.00 0.00 0.00 179.25 181.37 1xsi h HIS 522 N 0.80 1.08 -0.33 0.00 2.07 -1.99 0.12 115.15 116.89 1xsi h HIS 522 Ca 0.53 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 58.01 1xsi h HIS 522 Cb 0.77 -0.35 -0.01 0.00 2.57 0.00 0.00 27.41 30.38 1xsi h HIS 522 CO -0.00 0.71 0.06 0.28 -3.07 0.00 0.00 177.93 175.91 1xsi h VAL 523 N 1.12 1.23 -0.71 6.12 2.07 -1.75 -1.63 116.25 122.71 1xsi h VAL 523 Ca 0.30 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 67.06 1xsi h VAL 523 Cb -0.05 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1xsi h VAL 523 CO -0.06 0.27 0.41 0.22 0.02 0.00 0.00 177.57 178.44 1xsi h TYR 524 N 0.39 0.77 0.02 1.57 3.20 -0.98 -0.78 116.97 121.15 1xsi h TYR 524 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1xsi h TYR 524 Cb 0.34 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1xsi h TYR 524 CO 0.02 0.39 -0.01 0.87 -1.64 0.00 0.00 178.16 177.79 1xsi h LYS 525 N 0.77 -0.02 -0.53 1.82 6.56 -0.72 -0.15 116.57 124.30 1xsi h LYS 525 Ca 0.31 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.97 1xsi h LYS 525 Cb 0.15 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 31.76 1xsi h LYS 525 CO -0.17 0.13 0.19 0.00 -2.06 0.00 0.00 179.45 177.55 1xsi h ARG 526 N -0.17 0.37 -0.75 3.15 2.47 -1.01 -2.67 114.38 115.76 1xsi h ARG 526 Ca -0.00 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1xsi h ARG 526 Cb 0.17 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.37 1xsi h ARG 526 CO 0.00 0.24 0.39 2.35 0.56 0.00 0.00 179.97 183.51 1xsi h TRP 527 N 0.38 1.05 -0.09 3.04 2.91 -0.86 -3.01 115.95 119.37 1xsi h TRP 527 Ca 0.26 -0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.26 1xsi h TRP 527 Cb 0.28 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.57 1xsi h TRP 527 CO -0.16 0.75 -0.05 0.00 -1.03 0.00 0.00 178.44 177.95 1xsi h ALA 529 N 1.04 -0.02 -0.13 0.00 0.00 -1.46 0.12 119.26 118.81 1xsi h ALA 529 Ca 0.05 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1xsi h ALA 529 Cb 0.12 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1xsi h ALA 529 CO -0.11 -0.60 0.02 0.35 0.00 0.00 0.00 179.25 178.91 1xsi h PHE 530 N -0.18 0.03 -0.28 0.00 3.57 -1.39 -1.95 116.94 116.75 1xsi h PHE 530 Ca 0.14 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1xsi h PHE 530 Cb 0.39 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1xsi h PHE 530 CO -0.36 0.01 0.18 0.78 -2.23 0.00 0.00 178.31 176.69 1xsi h GLY 531 N 0.07 0.39 2.00 2.40 0.00 0.06 -2.19 103.07 105.81 1xsi h GLY 531 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1xsi h GLY 531 CO -0.08 0.13 0.00 1.04 0.00 0.00 0.00 176.54 177.63 1xsi n LEU 532 N -4.91 0.58 -1.98 3.11 7.99 0.38 -2.06 117.00 120.11 1xsi n LEU 532 Ca -0.01 0.62 -0.22 0.00 -0.01 0.00 0.00 56.01 56.39 1xsi n LEU 532 Cb 0.04 -0.52 0.15 0.00 -0.11 0.00 0.00 43.42 42.98 1xsi n LEU 532 CO 0.33 -0.44 1.11 0.18 -1.51 0.00 0.00 177.39 177.06 1xsi n LEU 533 N -2.12 6.20 -4.67 2.23 4.77 -0.75 -4.75 117.00 117.92 1xsi n LEU 533 Ca 0.03 -3.87 -0.24 0.00 -0.03 0.00 0.00 56.01 51.89 1xsi n LEU 533 Cb 0.26 -0.79 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 1xsi n LEU 533 CO 0.21 1.26 -0.26 -0.44 -1.33 0.00 0.00 177.39 176.83 1xsi s SER 534 N -1.86 4.30 0.20 -1.43 0.01 -0.88 -4.96 113.70 109.08 1xsi s SER 534 Ca 0.55 -0.98 -0.11 0.00 1.31 0.00 0.00 55.95 56.72 1xsi s SER 534 Cb 0.46 -0.55 0.13 0.00 0.21 0.00 0.00 66.02 66.27 1xsi s SER 534 CO 0.05 -0.31 1.86 0.77 0.41 0.00 0.00 173.24 176.02 1xsi h SER 535 N 1.69 0.80 -3.86 2.44 4.64 -1.86 -3.41 113.55 113.98 1xsi h SER 535 Ca -0.43 -0.03 -0.54 0.00 -0.47 0.00 0.00 61.79 60.32 1xsi h SER 535 Cb 1.25 -0.20 -0.31 0.00 -0.31 0.00 0.00 62.40 62.83 1xsi h SER 535 CO 0.67 0.59 -0.83 -1.00 -0.87 0.00 0.00 176.83 175.39 1xsi s HIS 536 N -6.10 1.60 -0.15 4.77 3.76 -1.23 -4.74 115.29 113.19 1xsi s HIS 536 Ca -0.13 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1xsi s HIS 536 Cb 0.14 -1.09 0.03 0.00 1.11 0.00 0.00 32.58 32.77 1xsi s HIS 536 CO 0.77 -0.16 -0.11 -1.12 -0.85 0.00 0.00 174.74 173.27 1xsi s SER 537 N 0.09 2.73 -0.04 1.40 0.01 -1.26 -4.24 113.70 112.39 1xsi s SER 537 Ca -0.04 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.67 1xsi s SER 537 Cb -0.11 -1.08 0.03 0.00 0.21 0.00 0.00 66.02 65.07 1xsi s SER 537 CO 0.02 -0.11 0.02 -0.60 0.41 0.00 0.00 173.24 172.99 1xsi s ARG 538 N 1.54 0.19 -0.41 12.44 3.52 -1.26 -1.07 118.95 133.89 1xsi s ARG 538 Ca 0.03 0.18 -0.28 0.00 -0.13 0.00 0.00 55.73 55.54 1xsi s ARG 538 Cb -0.14 -0.52 0.02 0.00 -1.56 0.00 0.00 34.95 32.76 1xsi s ARG 538 CO -0.09 -0.22 1.04 -0.51 -0.81 0.00 0.00 175.30 174.71 1xsi s LEU 539 N 1.47 3.85 -0.13 -0.88 1.43 0.33 -1.39 118.68 123.37 1xsi s LEU 539 Ca -0.04 0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 53.48 1xsi s LEU 539 Cb -0.13 -3.42 0.04 0.00 0.03 0.00 0.00 46.19 42.71 1xsi s LEU 539 CO -0.03 -1.04 0.41 -2.28 0.23 0.00 0.00 176.35 173.64 1xsi s HIS 540 N 3.91 -0.42 0.19 0.29 2.46 -1.26 -2.49 115.29 117.98 1xsi s HIS 540 Ca 0.43 0.97 -0.06 0.00 0.47 0.00 0.00 55.06 56.87 1xsi s HIS 540 Cb -0.10 0.16 -0.02 0.00 -0.13 0.00 0.00 32.58 32.48 1xsi s HIS 540 CO 0.24 -0.26 0.25 0.20 -2.47 0.00 0.00 174.74 172.69 1xsi s GLY 541 N -0.10 0.89 -0.02 1.59 0.00 -1.26 -4.28 107.32 104.14 1xsi s GLY 541 Ca -0.03 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 1xsi s GLY 541 CO 0.02 -1.05 -0.02 0.23 0.00 0.00 0.00 173.10 172.28 1xsi h SER 542 N 2.55 0.00 -0.01 1.64 0.87 -1.33 -2.09 113.55 115.18 1xsi h SER 542 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1xsi h SER 542 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1xsi h SER 542 CO 0.48 0.10 -0.08 0.29 -0.53 0.00 0.00 176.83 177.09 1xsi n LYS 543 N -2.54 1.19 -4.14 2.24 5.02 -1.26 -0.64 118.16 118.04 1xsi n LYS 543 Ca -0.01 -0.78 -0.09 0.00 -2.02 0.00 0.00 58.31 55.41 1xsi n LYS 543 Cb 0.02 -1.10 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 1xsi n LYS 543 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xsi s SER 544 N -0.95 0.75 0.48 4.39 1.04 -1.26 -4.60 113.70 113.54 1xsi s SER 544 Ca 0.08 -1.05 -0.12 0.00 0.48 0.00 0.00 55.95 55.35 1xsi s SER 544 Cb 0.07 0.17 -0.06 0.00 0.10 0.00 0.00 66.02 66.30 1xsi s SER 544 CO 0.16 -0.57 0.88 -0.31 0.98 0.00 0.00 173.24 174.38 1xsi s TYR 545 N -3.81 3.50 -1.18 5.02 2.02 -1.26 -4.43 117.35 117.20 1xsi s TYR 545 Ca 0.13 1.20 0.12 0.00 -0.37 0.00 0.00 57.07 58.15 1xsi s TYR 545 Cb 0.07 -2.58 0.30 0.00 -0.40 0.00 0.00 41.96 39.35 1xsi s TYR 545 CO -0.05 -0.29 1.21 0.54 -1.57 0.00 0.00 175.55 175.39 1xsi n ARG 546 N -1.69 2.42 -1.72 -0.62 5.12 -1.26 -4.90 116.66 114.02 1xsi n ARG 546 Ca 0.04 -1.95 -0.42 0.00 -1.93 0.00 0.00 57.85 53.58 1xsi n ARG 546 Cb 0.54 -1.30 -0.03 0.00 -1.16 0.00 0.00 32.46 30.51 1xsi n ARG 546 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1xsi n VAL 547 N 0.68 0.11 -0.34 1.55 0.24 -1.26 -4.90 118.33 114.42 1xsi n VAL 547 Ca 0.12 -0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.52 1xsi n VAL 547 Cb 0.43 -1.96 0.33 0.00 -1.47 0.00 0.00 33.84 31.17 1xsi n VAL 547 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1xsi h PRO 548 N 6.50 0.74 0.00 7.34 0.10 -1.92 0.24 132.00 144.99 1xsi h PRO 548 Ca -0.44 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1xsi h PRO 548 Cb 1.21 -0.17 0.00 0.00 0.10 0.00 0.00 31.00 32.14 1xsi h PRO 548 CO 0.94 0.49 0.00 -2.67 0.10 0.00 0.00 178.00 176.85 1xsi n TRP 549 N -4.70 0.00 0.45 0.65 2.14 -1.26 -0.36 117.44 114.36 1xsi n TRP 549 Ca 0.22 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.92 1xsi n TRP 549 Cb 0.55 -0.27 0.41 0.00 -0.81 0.00 0.00 31.31 31.19 1xsi n TRP 549 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xsi h ALA 550 N 2.79 1.00 0.00 -1.67 0.00 -0.87 -3.39 119.26 117.12 1xsi h ALA 550 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsi h ALA 550 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xsi h ALA 550 CO 0.00 0.00 -0.22 0.66 0.00 0.00 0.00 179.25 179.69 1xsi n TYR 551 N -2.53 0.00 -3.87 0.00 4.02 0.52 -5.11 117.16 110.18 1xsi n TYR 551 Ca 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.88 1xsi n TYR 551 Cb 0.39 -0.11 0.02 0.00 -0.02 0.00 0.00 39.34 39.62 1xsi n TYR 551 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1xsi s ASP 552 N -4.50 0.02 0.11 7.72 1.47 -1.05 -4.93 116.67 115.50 1xsi s ASP 552 Ca -0.06 -0.82 -0.15 0.00 1.18 0.00 0.00 52.55 52.70 1xsi s ASP 552 Cb 0.01 0.59 -0.06 0.00 -0.34 0.00 0.00 42.92 43.12 1xsi s ASP 552 CO 0.09 -1.18 1.47 0.44 0.68 0.00 0.00 175.17 176.68 1xsi h ASP 553 N 2.00 0.72 -1.00 2.11 3.32 -1.91 -2.86 116.42 118.81 1xsi h ASP 553 Ca -0.29 -0.41 0.19 0.00 0.02 0.00 0.00 57.03 56.53 1xsi h ASP 553 Cb 1.22 -0.20 -0.10 0.00 0.22 0.00 0.00 39.33 40.47 1xsi h ASP 553 CO 0.38 0.98 0.61 -0.08 -1.72 0.00 0.00 179.24 179.41 1xsi h GLU 554 N 0.47 0.72 -0.87 3.56 4.81 -1.96 -1.18 114.58 120.11 1xsi h GLU 554 Ca 0.07 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1xsi h GLU 554 Cb 0.71 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.86 1xsi h GLU 554 CO 0.05 0.47 0.52 0.77 -0.73 0.00 0.00 179.01 180.10 1xsi h SER 555 N 0.74 0.78 -0.37 1.04 0.02 -1.80 0.21 113.55 114.18 1xsi h SER 555 Ca 0.56 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.50 1xsi h SER 555 Cb 0.91 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1xsi h SER 555 CO -0.35 0.47 0.09 0.00 -1.14 0.00 0.00 176.83 175.89 1xsi h ASP 557 N 0.66 0.64 0.08 0.00 3.32 -0.56 -1.58 116.42 118.99 1xsi h ASP 557 Ca 0.15 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.86 1xsi h ASP 557 Cb 0.29 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1xsi h ASP 557 CO 0.00 0.83 -0.11 0.58 -1.72 0.00 0.00 179.24 178.83 1xsi h VAL 558 N 0.44 0.75 -0.41 -1.35 2.07 -0.17 -1.03 116.25 116.56 1xsi h VAL 558 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1xsi h VAL 558 Cb 0.53 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1xsi h VAL 558 CO 0.03 0.00 0.26 0.58 0.02 0.00 0.00 177.57 178.45 1xsi h VAL 559 N -0.22 1.07 -0.05 2.57 2.07 -0.94 -2.16 116.25 118.60 1xsi h VAL 559 Ca 0.01 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1xsi h VAL 559 Cb 0.23 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1xsi h VAL 559 CO -0.05 0.10 0.03 -0.09 0.02 0.00 0.00 177.57 177.58 1xsi h ARG 560 N 0.52 0.07 -0.09 1.57 2.43 -1.14 -0.72 114.38 117.02 1xsi h ARG 560 Ca 0.16 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1xsi h ARG 560 Cb -0.03 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 1xsi h ARG 560 CO -0.05 0.05 -0.31 0.35 -1.51 0.00 0.00 179.97 178.49 1xsi h PHE 561 N 0.06 -0.86 0.00 2.20 3.04 -1.02 -1.30 116.94 119.06 1xsi h PHE 561 Ca 0.02 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.91 1xsi h PHE 561 Cb -0.00 0.39 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 1xsi h PHE 561 CO -0.07 -0.40 -0.46 0.74 -2.02 0.00 0.00 178.31 176.10 1xsi h PHE 562 N -0.41 0.00 0.06 0.41 0.04 -1.34 -1.65 116.94 114.05 1xsi h PHE 562 Ca 0.08 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1xsi h PHE 562 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1xsi h PHE 562 CO -0.38 0.46 -0.03 1.15 -0.60 0.00 0.00 178.31 178.91 1xsi h THR 563 N 0.00 1.19 -0.33 -1.55 2.02 -1.01 0.15 112.91 113.38 1xsi h THR 563 Ca -0.00 -0.93 0.07 0.00 0.77 0.00 0.00 66.41 66.32 1xsi h THR 563 Cb 1.15 1.79 -0.06 0.00 -1.74 0.00 0.00 68.15 69.29 1xsi h THR 563 CO 0.06 0.23 -0.08 1.56 0.37 0.00 0.00 175.52 177.66 1xsi h GLN 564 N -0.51 0.00 -0.59 6.66 4.20 -1.22 -0.03 115.11 123.62 1xsi h GLN 564 Ca -0.01 -0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.79 1xsi h GLN 564 Cb 0.44 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 1xsi h GLN 564 CO 0.01 0.00 0.21 1.25 -0.67 0.00 0.00 178.83 179.64 1xsi h LEU 565 N 0.00 0.20 -0.70 1.46 5.85 -1.23 0.17 115.31 121.06 1xsi h LEU 565 Ca 0.16 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1xsi h LEU 565 Cb 0.24 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1xsi h LEU 565 CO -0.34 0.13 0.21 0.50 -0.34 0.00 0.00 178.44 178.59 1xsi h LYS 566 N 0.39 1.09 -0.69 1.25 3.64 -0.30 -0.34 116.57 121.62 1xsi h LYS 566 Ca 0.30 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1xsi h LYS 566 Cb 0.36 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1xsi h LYS 566 CO -0.30 0.95 0.34 0.00 -2.27 0.00 0.00 179.45 178.17 1xsi h ARG 568 N 0.95 0.49 -0.00 0.00 3.08 -0.08 -2.67 114.38 116.15 1xsi h ARG 568 Ca 0.24 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1xsi h ARG 568 Cb 0.10 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xsi h ARG 568 CO -0.03 0.37 -0.01 -1.33 -1.07 0.00 0.00 179.97 177.90 1xsi n MET 569 N -4.44 0.21 -0.34 0.04 2.81 -0.19 0.17 117.12 115.37 1xsi n MET 569 Ca 0.02 -0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.06 1xsi n MET 569 Cb 0.10 -1.50 0.34 0.00 -0.71 0.00 0.00 33.22 31.45 1xsi n MET 569 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xsi h MET 570 N 0.01 0.63 -0.46 0.03 2.86 -1.20 0.74 114.93 117.53 1xsi h MET 570 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1xsi h MET 570 Cb 0.40 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1xsi h MET 570 CO 0.00 0.42 0.30 -1.35 1.06 0.00 0.00 176.91 177.34 1xsi h PRO 571 N 0.65 0.61 0.49 -0.22 0.11 -1.77 0.51 132.00 132.38 1xsi h PRO 571 Ca 0.60 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.65 1xsi h PRO 571 Cb 1.05 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1xsi h PRO 571 CO -0.43 0.41 -0.24 -0.92 -0.21 0.00 0.00 178.00 176.61 1xsi h TYR 572 N 0.63 -0.61 -0.35 0.65 3.20 -1.22 -3.28 116.97 116.00 1xsi h TYR 572 Ca 0.17 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.09 1xsi h TYR 572 Cb -0.06 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 1xsi h TYR 572 CO 0.00 -0.36 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.06 1xsi h LEU 573 N -1.15 -0.20 -1.21 2.82 4.07 -0.54 -2.22 115.31 116.87 1xsi h LEU 573 Ca -0.07 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1xsi h LEU 573 Cb 0.53 0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.40 1xsi h LEU 573 CO 0.11 -0.06 0.43 0.22 -1.08 0.00 0.00 178.44 178.06 1xsi h TYR 574 N 0.06 0.94 -1.00 1.13 3.20 -1.08 0.63 116.97 120.85 1xsi h TYR 574 Ca 0.17 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1xsi h TYR 574 Cb 0.24 -0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 1xsi h TYR 574 CO -0.27 0.62 0.66 -0.09 -1.64 0.00 0.00 178.16 177.45 1xsi h ARG 575 N 0.99 1.26 -0.20 1.82 9.65 -1.48 -1.97 114.38 124.46 1xsi h ARG 575 Ca 0.26 -0.08 -0.14 0.00 -1.10 0.00 0.00 59.98 58.92 1xsi h ARG 575 Cb -0.04 -0.29 -0.01 0.00 -1.39 0.00 0.00 29.97 28.24 1xsi h ARG 575 CO -0.05 0.84 -0.47 0.93 2.80 0.00 0.00 179.97 184.02 1xsi h GLU 576 N 1.30 0.51 -0.55 0.20 4.39 -0.65 -2.63 114.58 117.15 1xsi h GLU 576 Ca 0.39 -0.28 0.02 0.00 0.34 0.00 0.00 59.36 59.82 1xsi h GLU 576 Cb -0.05 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1xsi h GLU 576 CO -0.11 0.87 0.36 0.00 -1.16 0.00 0.00 179.01 178.98 1xsi h ALA 577 N 1.08 1.66 0.00 3.43 0.00 -0.67 -2.00 119.26 122.77 1xsi h ALA 577 Ca 0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1xsi h ALA 577 Cb 0.98 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1xsi h ALA 577 CO 0.09 0.30 -0.35 0.00 0.00 0.00 0.00 179.25 179.28 1xsi h ALA 578 N 1.67 1.13 -0.69 0.00 0.00 -1.00 -2.19 119.26 118.18 1xsi h ALA 578 Ca 0.21 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1xsi h ALA 578 Cb -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1xsi h ALA 578 CO -0.05 0.44 0.20 0.00 0.00 0.00 0.00 179.25 179.84 1xsi h ARG 579 N 0.00 1.07 0.08 0.00 3.08 -1.15 0.26 114.38 117.71 1xsi h ARG 579 Ca -0.00 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 1xsi h ARG 579 Cb 0.77 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1xsi h ARG 579 CO 0.05 0.92 -0.04 0.00 -1.07 0.00 0.00 179.97 179.83 1xsi h ALA 580 N 1.19 -0.10 -0.90 0.04 0.00 -1.30 0.70 119.26 118.88 1xsi h ALA 580 Ca 0.22 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1xsi h ALA 580 Cb 0.31 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1xsi h ALA 580 CO -0.00 -0.50 0.54 -0.97 0.00 0.00 0.00 179.25 178.32 1xsi h ASN 581 N -0.21 0.81 0.48 0.00 -0.73 -1.03 -1.51 115.58 113.39 1xsi h ASN 581 Ca -0.01 0.04 -0.30 0.00 1.87 0.00 0.00 56.30 57.90 1xsi h ASN 581 Cb 0.18 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.62 1xsi h ASN 581 CO 0.02 0.46 -1.59 0.00 -0.37 0.00 0.00 177.43 175.95 1xsi h ALA 582 N 1.47 0.47 0.00 1.57 0.00 -0.07 -3.42 119.26 119.28 1xsi h ALA 582 Ca 0.43 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1xsi h ALA 582 Cb 0.36 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xsi h ALA 582 CO -0.24 1.32 0.00 0.54 0.00 0.00 0.00 179.25 180.88 1xsi n ARG 583 N -3.31 2.01 -1.01 0.00 1.74 0.24 -5.00 116.66 111.32 1xsi n ARG 583 Ca -0.17 -0.16 -0.00 0.00 -0.77 0.00 0.00 57.85 56.75 1xsi n ARG 583 Cb 1.03 -0.56 -0.00 0.00 -1.02 0.00 0.00 32.46 31.91 1xsi n ARG 583 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xsi n GLY 584 N 0.33 0.43 3.59 -0.13 0.00 -0.57 -2.70 105.19 106.15 1xsi n GLY 584 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1xsi n GLY 584 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsi s THR 585 N -2.01 4.76 0.76 2.61 2.01 -1.22 -4.76 115.64 117.79 1xsi s THR 585 Ca 0.00 0.96 -0.14 0.00 0.31 0.00 0.00 61.69 62.82 1xsi s THR 585 Cb 0.00 -4.19 0.06 0.00 0.01 0.00 0.00 72.50 68.38 1xsi s THR 585 CO 0.00 -0.38 1.18 -2.16 -0.69 0.00 0.00 174.62 172.57 1xsi s PRO 586 N 3.05 2.01 0.17 4.92 0.04 -1.26 -2.86 135.00 141.07 1xsi s PRO 586 Ca 0.31 1.65 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 1xsi s PRO 586 Cb -0.13 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1xsi s PRO 586 CO 0.16 -1.91 1.46 0.52 0.04 0.00 0.00 177.00 177.27 1xsi h MET 587 N -0.60 0.59 -4.49 4.56 2.86 -1.76 -3.40 114.93 112.68 1xsi h MET 587 Ca -0.46 -0.40 -0.72 0.00 -2.06 0.00 0.00 59.70 56.05 1xsi h MET 587 Cb 1.28 0.06 -0.21 0.00 0.06 0.00 0.00 31.60 32.79 1xsi h MET 587 CO 0.49 1.02 -0.08 1.41 1.06 0.00 0.00 176.91 180.80 1xsi s MET 588 N -3.91 3.03 -0.19 1.72 -2.45 -1.26 -1.18 119.30 115.05 1xsi s MET 588 Ca -0.08 -1.36 -0.07 0.00 -1.25 0.00 0.00 55.69 52.93 1xsi s MET 588 Cb 0.11 -4.22 -0.04 0.00 1.25 0.00 0.00 34.83 31.93 1xsi s MET 588 CO 0.85 -1.32 0.05 1.03 1.05 0.00 0.00 175.02 176.68 1xsi s ARG 589 N 2.15 3.86 0.50 4.11 0.52 0.08 -4.76 118.95 125.40 1xsi s ARG 589 Ca 0.08 -0.40 -0.21 0.00 -0.52 0.00 0.00 55.73 54.68 1xsi s ARG 589 Cb -0.25 -3.20 -0.09 0.00 0.52 0.00 0.00 34.95 31.93 1xsi s ARG 589 CO 0.06 0.16 0.86 0.00 0.02 0.00 0.00 175.30 176.40 1xsi n ALA 590 N 3.87 -0.23 -0.32 2.13 0.00 -1.26 -1.42 120.51 123.27 1xsi n ALA 590 Ca -0.17 0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1xsi n ALA 590 Cb 0.52 -2.01 0.24 0.00 0.00 0.00 0.00 19.45 18.20 1xsi n ALA 590 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1xsi h MET 591 N 0.94 0.99 0.00 0.00 0.00 -1.81 -0.44 114.93 114.60 1xsi h MET 591 Ca -0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 59.70 59.19 1xsi h MET 591 Cb 1.36 -0.22 -0.00 0.00 0.00 0.00 0.00 31.60 32.74 1xsi h MET 591 CO 0.53 0.65 -0.01 0.00 0.00 0.00 0.00 176.91 178.08 1xsi h MET 592 N 1.02 0.00 0.04 1.72 -0.00 -1.82 -0.10 114.93 115.79 1xsi h MET 592 Ca 0.43 0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.85 1xsi h MET 592 Cb 0.30 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.92 1xsi h MET 592 CO -0.18 0.01 -1.10 1.98 -0.00 0.00 0.00 176.91 177.62 1xsi h MET 593 N 0.00 0.63 0.00 -0.10 1.85 -1.42 -2.95 114.93 112.94 1xsi h MET 593 Ca -0.00 -0.73 -0.22 0.00 -0.61 0.00 0.00 59.70 58.14 1xsi h MET 593 Cb 0.46 0.22 -0.03 0.00 0.43 0.00 0.00 31.60 32.67 1xsi h MET 593 CO 0.00 1.31 -1.20 1.49 -0.40 0.00 0.00 176.91 178.11 1xsi h GLU 594 N 0.33 0.00 -2.09 0.39 4.57 -1.32 -3.40 114.58 113.07 1xsi h GLU 594 Ca -0.14 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.47 1xsi h GLU 594 Cb 1.75 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.94 1xsi h GLU 594 CO 0.21 0.71 -0.90 1.19 -1.18 0.00 0.00 179.01 179.04 1xsi n PHE 595 N -3.19 1.48 0.27 0.92 3.01 -0.08 -4.96 117.46 114.90 1xsi n PHE 595 Ca -0.06 -3.84 0.15 0.00 1.01 0.00 0.00 57.45 54.72 1xsi n PHE 595 Cb 0.94 -0.44 0.72 0.00 -0.01 0.00 0.00 39.48 40.69 1xsi n PHE 595 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xsi h PRO 596 N 3.88 0.00 -0.30 -1.08 0.13 -1.73 -1.87 132.00 131.02 1xsi h PRO 596 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1xsi h PRO 596 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1xsi h PRO 596 CO 0.63 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.23 1xsi n ASP 597 N -3.30 2.46 -4.49 1.44 8.00 -1.26 -4.82 116.55 114.58 1xsi n ASP 597 Ca -0.01 -1.87 -0.43 0.00 0.71 0.00 0.00 54.79 53.20 1xsi n ASP 597 Cb 0.28 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 41.11 1xsi n ASP 597 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xsi s ASP 598 N -1.43 6.26 0.61 -2.24 -1.08 -0.71 -4.93 116.67 113.16 1xsi s ASP 598 Ca 0.34 -0.58 0.33 0.00 -0.52 0.00 0.00 52.55 52.13 1xsi s ASP 598 Cb 0.19 -2.28 1.94 0.00 -1.46 0.00 0.00 42.92 41.30 1xsi s ASP 598 CO 0.27 -0.75 2.25 1.55 0.52 0.00 0.00 175.17 179.01 1xsi h PRO 599 N 8.86 0.00 0.00 4.34 0.13 -1.87 -1.24 132.00 142.22 1xsi h PRO 599 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xsi h PRO 599 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1xsi h PRO 599 CO 0.88 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.65 1xsi n ALA 600 N -2.25 1.79 1.32 -0.56 0.00 -1.26 -3.56 120.51 115.99 1xsi n ALA 600 Ca -0.02 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1xsi n ALA 600 Cb 0.13 -1.40 0.45 0.00 0.00 0.00 0.00 19.45 18.63 1xsi n ALA 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsi h ASP 602 N 1.24 0.78 -0.27 0.00 3.32 -1.73 -3.16 116.42 116.60 1xsi h ASP 602 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xsi h ASP 602 Cb 0.47 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1xsi h ASP 602 CO 0.00 0.47 0.00 -1.22 -1.72 0.00 0.00 179.24 176.77 1xsi n TYR 603 N -4.67 0.35 -2.32 4.55 4.01 -1.26 -4.87 117.16 112.94 1xsi n TYR 603 Ca 0.14 -0.37 -0.43 0.00 -0.16 0.00 0.00 57.90 57.08 1xsi n TYR 603 Cb 0.24 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.22 1xsi n TYR 603 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsi s LEU 604 N -0.99 4.12 0.00 7.72 1.43 -1.19 -4.84 118.68 124.93 1xsi s LEU 604 Ca 0.21 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1xsi s LEU 604 Cb 0.12 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1xsi s LEU 604 CO 0.16 -0.90 0.56 -0.90 0.23 0.00 0.00 176.35 175.50 1xsi n ASP 605 N 7.06 0.86 -0.55 2.29 3.85 -1.26 -4.48 116.55 124.32 1xsi n ASP 605 Ca 0.15 -1.31 0.05 0.00 -0.71 0.00 0.00 54.79 52.97 1xsi n ASP 605 Cb 0.45 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.35 1xsi n ASP 605 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xsi n ARG 606 N -0.16 2.88 -3.98 0.11 1.74 -1.26 -4.46 116.66 111.53 1xsi n ARG 606 Ca 0.00 -2.02 -0.10 0.00 -0.77 0.00 0.00 57.85 54.96 1xsi n ARG 606 Cb 0.25 -1.27 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 1xsi n ARG 606 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1xsi s GLN 607 N -1.13 1.72 0.02 5.56 -2.07 -1.26 -3.97 119.66 118.54 1xsi s GLN 607 Ca 0.21 -1.36 -0.29 0.00 -1.82 0.00 0.00 55.36 52.10 1xsi s GLN 607 Cb 0.12 0.49 0.10 0.00 -1.09 0.00 0.00 33.01 32.63 1xsi s GLN 607 CO 0.13 -0.74 1.04 1.52 -1.32 0.00 0.00 175.29 175.92 1xsi s TYR 608 N -3.60 -0.17 -0.13 9.60 -0.85 -0.02 -4.59 117.35 117.58 1xsi s TYR 608 Ca 0.22 -0.01 -0.07 0.00 -0.52 0.00 0.00 57.07 56.70 1xsi s TYR 608 Cb -0.02 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.86 1xsi s TYR 608 CO 0.12 -0.55 0.12 -1.64 -1.52 0.00 0.00 175.55 172.08 1xsi s MET 609 N -2.94 3.55 -0.48 -3.49 -1.94 -0.51 -0.51 119.30 112.99 1xsi s MET 609 Ca 0.10 -0.19 -0.09 0.00 -1.71 0.00 0.00 55.69 53.81 1xsi s MET 609 Cb 0.00 -3.19 0.12 0.00 2.01 0.00 0.00 34.83 33.77 1xsi s MET 609 CO -0.03 0.66 0.35 -1.17 -0.01 0.00 0.00 175.02 174.81 1xsi s LEU 610 N -0.70 5.69 0.00 -0.03 2.96 0.76 -0.74 118.68 126.62 1xsi s LEU 610 Ca 0.13 -1.94 0.00 0.00 -0.22 0.00 0.00 54.13 52.10 1xsi s LEU 610 Cb -0.12 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.57 1xsi s LEU 610 CO 0.03 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 174.98 1xsi n GLY 611 N 4.87 -1.99 0.30 7.98 0.00 -0.32 -3.57 105.19 112.45 1xsi n GLY 611 Ca -0.07 -1.37 0.09 0.00 0.00 0.00 0.00 46.02 44.66 1xsi n GLY 611 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xsi h ASP 612 N -0.23 0.17 -0.00 1.61 3.32 -1.92 -3.36 116.42 116.01 1xsi h ASP 612 Ca 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xsi h ASP 612 Cb 0.23 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1xsi h ASP 612 CO 0.00 0.12 -0.01 0.59 -1.72 0.00 0.00 179.24 178.22 1xsi n ASN 613 N -4.50 0.67 -4.04 6.45 3.02 -1.26 -4.99 115.26 110.61 1xsi n ASN 613 Ca 0.02 -0.84 -0.23 0.00 -0.03 0.00 0.00 54.58 53.50 1xsi n ASN 613 Cb 0.17 0.37 -0.16 0.00 -0.61 0.00 0.00 39.78 39.55 1xsi n ASN 613 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsi s VAL 614 N -0.42 1.05 -0.24 2.41 0.11 -1.23 -2.31 120.40 119.77 1xsi s VAL 614 Ca 0.01 -0.49 -0.08 0.00 -2.93 0.00 0.00 61.98 58.49 1xsi s VAL 614 Cb 0.00 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1xsi s VAL 614 CO 0.01 0.32 0.08 -0.32 -3.33 0.00 0.00 175.10 171.87 1xsi s MET 615 N 0.27 3.76 -0.09 1.54 1.75 -0.08 -0.17 119.30 126.28 1xsi s MET 615 Ca -0.06 -0.43 0.02 0.00 -1.25 0.00 0.00 55.69 53.96 1xsi s MET 615 Cb -0.11 -3.34 -0.02 0.00 2.84 0.00 0.00 34.83 34.19 1xsi s MET 615 CO 0.02 -0.10 -0.13 0.54 -0.65 0.00 0.00 175.02 174.70 1xsi s VAL 616 N 1.39 3.08 -0.37 10.11 0.11 0.33 -1.72 120.40 133.33 1xsi s VAL 616 Ca 0.05 -0.68 0.03 0.00 -2.93 0.00 0.00 61.98 58.46 1xsi s VAL 616 Cb -0.15 -2.25 0.11 0.00 -1.53 0.00 0.00 36.38 32.56 1xsi s VAL 616 CO 0.04 0.56 0.09 0.00 -3.33 0.00 0.00 175.10 172.46 1xsi s ALA 617 N -0.19 2.78 0.79 1.54 0.00 -0.98 -0.84 121.76 124.86 1xsi s ALA 617 Ca 0.00 -2.55 -0.14 0.00 0.00 0.00 0.00 51.96 49.26 1xsi s ALA 617 Cb -0.13 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.06 1xsi s ALA 617 CO 0.03 -1.75 0.90 -2.30 0.00 0.00 0.00 175.76 172.64 1xsi n PRO 618 N 4.12 0.22 -3.49 0.00 -0.02 -1.26 -4.17 135.00 130.41 1xsi n PRO 618 Ca 0.04 0.14 -0.38 0.00 -2.02 0.00 0.00 63.50 61.27 1xsi n PRO 618 Cb 0.40 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 1xsi n PRO 618 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xsi s VAL 619 N -2.04 5.25 -0.22 -1.45 1.01 -1.26 -4.98 120.40 116.71 1xsi s VAL 619 Ca 0.69 0.49 0.14 0.00 0.00 0.00 0.00 61.98 63.30 1xsi s VAL 619 Cb -0.31 -3.64 0.53 0.00 0.00 0.00 0.00 36.38 32.97 1xsi s VAL 619 CO 0.54 0.27 1.46 0.49 0.00 0.00 0.00 175.10 177.86 1xsi n PHE 620 N 4.59 1.08 -4.20 5.22 3.72 -1.26 -4.81 117.46 121.79 1xsi n PHE 620 Ca -0.11 -1.13 -0.16 0.00 -0.05 0.00 0.00 57.45 56.01 1xsi n PHE 620 Cb 0.51 -0.39 -0.11 0.00 -0.94 0.00 0.00 39.48 38.55 1xsi n PHE 620 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1xsi s THR 621 N -2.97 1.10 0.02 4.37 -4.23 -1.26 -4.91 115.64 107.75 1xsi s THR 621 Ca 0.44 -1.68 -0.25 0.00 -1.18 0.00 0.00 61.69 59.01 1xsi s THR 621 Cb 0.37 -1.44 -0.17 0.00 1.34 0.00 0.00 72.50 72.60 1xsi s THR 621 CO 0.06 -0.50 1.34 -0.08 -0.54 0.00 0.00 174.62 174.90 1xsi h GLU 622 N 3.53 -0.24 -0.36 3.99 4.81 -1.93 -3.05 114.58 121.33 1xsi h GLU 622 Ca -0.38 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 58.97 1xsi h GLU 622 Cb 1.19 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1xsi h GLU 622 CO 0.52 0.07 0.34 0.00 -0.73 0.00 0.00 179.01 179.21 1xsi h ALA 623 N 0.18 2.11 0.00 2.92 0.00 -1.97 -3.47 119.26 119.03 1xsi h ALA 623 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xsi h ALA 623 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xsi h ALA 623 CO 0.04 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.17 1xsi n GLY 624 N -1.50 0.72 3.77 0.00 0.00 -1.15 -4.63 105.19 102.39 1xsi n GLY 624 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1xsi n GLY 624 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsi s ASP 625 N -2.60 6.66 -0.21 1.61 1.01 -1.26 -1.41 116.67 120.48 1xsi s ASP 625 Ca 0.00 2.76 -0.19 0.00 0.71 0.00 0.00 52.55 55.83 1xsi s ASP 625 Cb 0.00 -2.65 0.05 0.00 1.01 0.00 0.00 42.92 41.34 1xsi s ASP 625 CO 0.00 -0.64 0.55 0.54 0.21 0.00 0.00 175.17 175.83 1xsi s VAL 626 N -0.86 -0.00 -0.01 -1.27 0.11 -0.84 -4.41 120.40 113.13 1xsi s VAL 626 Ca 0.52 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.64 1xsi s VAL 626 Cb -0.42 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 33.65 1xsi s VAL 626 CO 0.53 0.00 -0.20 -1.10 -3.33 0.00 0.00 175.10 171.00 1xsi s GLN 627 N 0.31 1.59 0.03 1.54 -0.21 -1.26 -1.56 119.66 120.09 1xsi s GLN 627 Ca -0.00 -0.76 -0.19 0.00 0.02 0.00 0.00 55.36 54.43 1xsi s GLN 627 Cb -0.04 -1.56 0.04 0.00 1.00 0.00 0.00 33.01 32.45 1xsi s GLN 627 CO 0.01 0.42 0.43 -0.59 -2.12 0.00 0.00 175.29 173.44 1xsi s PHE 628 N -0.53 -0.30 -0.05 0.91 -0.12 -0.78 -4.97 117.98 112.15 1xsi s PHE 628 Ca 0.08 0.33 -0.04 0.00 -0.05 0.00 0.00 56.93 57.25 1xsi s PHE 628 Cb -0.08 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1xsi s PHE 628 CO -0.00 -0.55 0.15 -0.47 -0.05 0.00 0.00 175.22 174.29 1xsi s TYR 629 N -2.19 3.52 -0.11 3.49 5.04 -1.26 0.23 117.35 126.08 1xsi s TYR 629 Ca -0.07 0.39 0.03 0.00 -2.44 0.00 0.00 57.07 54.98 1xsi s TYR 629 Cb -0.01 -1.85 0.01 0.00 0.35 0.00 0.00 41.96 40.45 1xsi s TYR 629 CO -0.00 0.66 -0.19 -0.51 -1.34 0.00 0.00 175.55 174.17 1xsi s LEU 630 N -1.60 1.93 1.06 6.97 1.02 -0.34 -4.98 118.68 122.75 1xsi s LEU 630 Ca 0.22 -0.50 -0.12 0.00 0.02 0.00 0.00 54.13 53.75 1xsi s LEU 630 Cb -0.12 -1.26 0.23 0.00 0.02 0.00 0.00 46.19 45.06 1xsi s LEU 630 CO 0.13 0.07 1.07 -2.84 0.02 0.00 0.00 176.35 174.80 1xsi s PRO 631 N 0.74 -0.11 0.30 1.29 0.02 -1.26 -0.22 135.00 135.75 1xsi s PRO 631 Ca -0.11 0.69 -0.26 0.00 0.02 0.00 0.00 61.00 61.35 1xsi s PRO 631 Cb -0.16 -1.66 -0.15 0.00 0.02 0.00 0.00 34.50 32.55 1xsi s PRO 631 CO 0.02 -3.14 0.67 -1.91 -0.33 0.00 0.00 177.00 172.30 1xsi n GLU 632 N -4.49 0.62 0.00 5.54 2.13 -1.26 -2.79 120.64 120.38 1xsi n GLU 632 Ca 0.04 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1xsi n GLU 632 Cb 0.56 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.84 1xsi n GLU 632 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xsi n GLY 633 N 1.69 2.66 3.51 8.31 0.00 -1.26 -4.79 105.19 115.30 1xsi n GLY 633 Ca 0.13 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1xsi n GLY 633 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xsi s ARG 634 N -1.94 3.31 0.07 1.61 3.52 -1.26 -0.38 118.95 123.87 1xsi s ARG 634 Ca 0.00 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.82 1xsi s ARG 634 Cb 0.00 -3.87 -0.04 0.00 -1.56 0.00 0.00 34.95 29.47 1xsi s ARG 634 CO 0.00 -0.57 0.24 -1.58 -0.81 0.00 0.00 175.30 172.58 1xsi s TRP 635 N 1.74 3.52 -0.07 5.12 0.52 0.26 -3.40 118.94 126.63 1xsi s TRP 635 Ca 0.06 0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.55 1xsi s TRP 635 Cb -0.18 -1.83 0.01 0.00 -1.15 0.00 0.00 33.47 30.32 1xsi s TRP 635 CO 0.11 0.56 -0.15 0.99 0.02 0.00 0.00 176.95 178.48 1xsi s THR 636 N -1.51 1.31 0.29 2.01 2.01 -0.31 -1.35 115.64 118.10 1xsi s THR 636 Ca 0.35 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 1xsi s THR 636 Cb -0.13 -1.17 -0.10 0.00 0.01 0.00 0.00 72.50 71.11 1xsi s THR 636 CO 0.26 0.39 1.43 -2.28 -0.69 0.00 0.00 174.62 173.73 1xsi s HIS 637 N 0.52 2.93 0.28 4.92 2.46 -0.21 -0.36 115.29 125.82 1xsi s HIS 637 Ca -0.14 1.12 -0.03 0.00 0.47 0.00 0.00 55.06 56.48 1xsi s HIS 637 Cb -0.15 -3.85 0.38 0.00 -0.13 0.00 0.00 32.58 28.83 1xsi s HIS 637 CO 0.04 -2.63 1.92 1.25 -2.47 0.00 0.00 174.74 172.85 1xsi h LEU 638 N 4.28 0.97 0.00 8.88 5.85 -1.08 -1.23 115.31 132.97 1xsi h LEU 638 Ca -0.48 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1xsi h LEU 638 Cb 1.22 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1xsi h LEU 638 CO 0.73 0.75 -0.89 -2.67 -0.34 0.00 0.00 178.44 176.01 1xsi n TRP 639 N -4.37 0.00 0.24 1.25 2.14 -1.26 -4.65 117.44 110.79 1xsi n TRP 639 Ca 0.09 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.74 1xsi n TRP 639 Cb 0.07 0.00 0.60 0.00 -0.81 0.00 0.00 31.31 31.17 1xsi n TRP 639 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1xsi h HIS 640 N 0.00 0.00 0.00 -2.67 3.86 -1.93 -3.47 115.15 110.94 1xsi h HIS 640 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xsi h HIS 640 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1xsi h HIS 640 CO 0.00 0.18 0.00 -1.71 0.86 0.00 0.00 177.93 177.26 1xsi n ASN 641 N -3.88 -1.44 -4.80 2.45 5.15 -0.46 -4.93 115.26 107.34 1xsi n ASN 641 Ca -0.02 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.63 1xsi n ASN 641 Cb 0.28 -1.94 -0.00 0.00 -0.53 0.00 0.00 39.78 37.58 1xsi n ASN 641 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1xsi s ASP 642 N -2.23 5.99 0.05 1.20 -4.77 -1.26 -4.62 116.67 111.03 1xsi s ASP 642 Ca 0.00 1.83 0.05 0.00 -3.30 0.00 0.00 52.55 51.14 1xsi s ASP 642 Cb 0.00 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.26 1xsi s ASP 642 CO 0.00 -1.03 -0.09 -1.61 0.70 0.00 0.00 175.17 173.14 1xsi s GLU 643 N -3.85 2.30 0.00 2.11 2.02 -1.26 -1.05 118.70 118.98 1xsi s GLU 643 Ca 0.64 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.76 1xsi s GLU 643 Cb -0.16 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.69 1xsi s GLU 643 CO 0.32 0.55 -0.06 -0.51 0.02 0.00 0.00 175.26 175.58 1xsi s LEU 644 N -1.79 2.05 0.27 1.80 1.43 -0.45 -4.99 118.68 117.00 1xsi s LEU 644 Ca 0.19 -0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 52.88 1xsi s LEU 644 Cb -0.11 -0.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.73 1xsi s LEU 644 CO 0.10 0.03 0.81 -1.81 0.23 0.00 0.00 176.35 175.72 1xsi s ASP 645 N -0.40 7.14 0.01 2.29 1.01 -1.26 -0.58 116.67 124.88 1xsi s ASP 645 Ca 0.00 1.57 0.00 0.00 0.71 0.00 0.00 52.55 54.84 1xsi s ASP 645 Cb -0.04 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1xsi s ASP 645 CO -0.00 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1xsi n GLY 646 N 0.55 1.66 2.46 0.21 0.00 0.49 -4.60 105.19 105.95 1xsi n GLY 646 Ca -0.00 -2.01 -0.21 0.00 0.00 0.00 0.00 46.02 43.80 1xsi n GLY 646 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsi n SER 647 N -0.21 -5.77 -3.72 1.61 7.64 0.69 -4.72 113.62 109.14 1xsi n SER 647 Ca 0.00 0.14 -0.07 0.00 1.01 0.00 0.00 58.87 59.95 1xsi n SER 647 Cb 0.00 -4.87 -0.02 0.00 -1.01 0.00 0.00 64.21 58.31 1xsi n SER 647 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsi s ARG 648 N -4.65 1.49 0.40 1.43 1.70 -0.89 -4.97 118.95 113.47 1xsi s ARG 648 Ca 0.00 -0.77 -0.10 0.00 -0.47 0.00 0.00 55.73 54.39 1xsi s ARG 648 Cb 0.00 0.55 -0.06 0.00 -0.57 0.00 0.00 34.95 34.86 1xsi s ARG 648 CO 0.00 -0.68 0.77 -1.58 -1.08 0.00 0.00 175.30 172.73 1xsi s TRP 649 N -3.70 3.47 0.10 5.89 0.52 -1.26 -1.20 118.94 122.76 1xsi s TRP 649 Ca 0.09 1.04 0.04 0.00 0.02 0.00 0.00 56.10 57.29 1xsi s TRP 649 Cb -0.04 -2.44 -0.04 0.00 -1.15 0.00 0.00 33.47 29.81 1xsi s TRP 649 CO 0.01 -0.10 -0.11 -1.01 0.02 0.00 0.00 176.95 175.76 1xsi s HIS 650 N -2.37 1.08 -0.10 -1.98 3.76 0.14 -4.96 115.29 110.86 1xsi s HIS 650 Ca 0.51 -0.63 0.02 0.00 -0.15 0.00 0.00 55.06 54.81 1xsi s HIS 650 Cb -0.10 -0.59 0.01 0.00 1.11 0.00 0.00 32.58 33.01 1xsi s HIS 650 CO 0.31 0.01 -0.14 0.21 -0.85 0.00 0.00 174.74 174.28 1xsi s LYS 651 N -2.67 2.08 0.30 1.40 2.20 -1.26 -1.87 119.74 119.92 1xsi s LYS 651 Ca 0.05 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.19 1xsi s LYS 651 Cb -0.04 -1.77 -0.03 0.00 -1.51 0.00 0.00 37.83 34.48 1xsi s LYS 651 CO 0.00 -0.05 0.27 -0.65 -0.36 0.00 0.00 175.35 174.56 1xsi s GLN 652 N 0.94 1.66 -0.09 4.03 -0.21 -0.60 -5.02 119.66 120.37 1xsi s GLN 652 Ca -0.08 -1.91 -0.04 0.00 0.02 0.00 0.00 55.36 53.35 1xsi s GLN 652 Cb -0.15 0.33 0.05 0.00 1.00 0.00 0.00 33.01 34.23 1xsi s GLN 652 CO -0.00 -0.61 0.20 -1.14 -2.12 0.00 0.00 175.29 171.62 1xsi s GLN 653 N -3.56 0.13 -0.06 2.91 -0.44 -1.26 -1.98 119.66 115.40 1xsi s GLN 653 Ca 0.39 0.51 0.01 0.00 -2.50 0.00 0.00 55.36 53.78 1xsi s GLN 653 Cb 0.03 -0.15 0.02 0.00 -1.64 0.00 0.00 33.01 31.26 1xsi s GLN 653 CO 0.24 -0.21 -0.08 -1.01 0.50 0.00 0.00 175.29 174.73 1xsi s HIS 654 N 1.57 1.17 1.24 1.67 3.76 -0.50 -4.97 115.29 119.23 1xsi s HIS 654 Ca -0.06 -0.42 -0.19 0.00 -0.15 0.00 0.00 55.06 54.25 1xsi s HIS 654 Cb -0.11 -0.92 0.30 0.00 1.11 0.00 0.00 32.58 32.95 1xsi s HIS 654 CO -0.07 -0.27 1.05 0.20 -0.85 0.00 0.00 174.74 174.80 1xsi s GLY 655 N 0.90 1.53 0.00 -2.22 0.00 -1.26 -4.32 107.32 101.95 1xsi s GLY 655 Ca -0.11 -0.75 0.12 0.00 0.00 0.00 0.00 44.72 43.98 1xsi s GLY 655 CO 0.01 0.12 1.31 0.69 0.00 0.00 0.00 173.10 175.22 1xsi n PHE 656 N -4.95 0.00 -0.56 1.90 3.72 -1.26 -1.51 117.46 114.80 1xsi n PHE 656 Ca 0.11 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.60 1xsi n PHE 656 Cb 0.59 -0.30 0.34 0.00 -0.94 0.00 0.00 39.48 39.17 1xsi n PHE 656 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xsi n LEU 657 N -1.30 4.46 -3.98 4.37 4.32 -1.26 -4.82 117.00 118.79 1xsi n LEU 657 Ca 0.06 -2.34 -0.09 0.00 -0.02 0.00 0.00 56.01 53.61 1xsi n LEU 657 Cb 0.10 -0.54 -0.10 0.00 -1.62 0.00 0.00 43.42 41.26 1xsi n LEU 657 CO 0.09 0.85 -0.31 -0.55 -1.22 0.00 0.00 177.39 176.25 1xsi s SER 658 N -0.98 0.25 0.16 -1.43 0.15 -0.57 -5.04 113.70 106.24 1xsi s SER 658 Ca 0.49 -0.57 -0.20 0.00 0.70 0.00 0.00 55.95 56.37 1xsi s SER 658 Cb 0.30 0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.82 1xsi s SER 658 CO 0.26 -0.41 0.53 -1.48 1.20 0.00 0.00 173.24 173.34 1xsi s LEU 659 N -1.86 -0.17 -0.32 3.45 2.34 -1.26 -4.65 118.68 116.21 1xsi s LEU 659 Ca -0.09 -0.19 -0.34 0.00 0.06 0.00 0.00 54.13 53.57 1xsi s LEU 659 Cb -0.05 2.31 -0.10 0.00 -0.56 0.00 0.00 46.19 47.79 1xsi s LEU 659 CO -0.03 -0.96 2.19 -2.65 -1.06 0.00 0.00 176.35 173.84 1xsi n PRO 660 N -0.33 1.25 -3.72 1.48 -0.02 -1.26 -4.92 135.00 127.48 1xsi n PRO 660 Ca -0.15 0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 1xsi n PRO 660 Cb 0.64 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 1xsi n PRO 660 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xsi s VAL 661 N 7.44 0.80 0.03 -1.45 1.01 -1.26 -2.31 120.40 124.66 1xsi s VAL 661 Ca 1.08 -1.28 0.09 0.00 0.00 0.00 0.00 61.98 61.86 1xsi s VAL 661 Cb -0.76 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1xsi s VAL 661 CO 0.47 -0.63 -0.26 -0.31 0.00 0.00 0.00 175.10 174.37 1xsi s TYR 662 N 1.67 2.33 -0.16 5.22 2.02 -0.70 -0.41 117.35 127.32 1xsi s TYR 662 Ca 0.08 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.33 1xsi s TYR 662 Cb -0.17 -1.43 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1xsi s TYR 662 CO -0.24 0.08 -0.05 0.08 -1.57 0.00 0.00 175.55 173.85 1xsi s VAL 663 N -0.75 3.76 0.98 0.71 1.01 0.51 -0.90 120.40 125.73 1xsi s VAL 663 Ca 0.11 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1xsi s VAL 663 Cb -0.10 -2.65 0.10 0.00 0.00 0.00 0.00 36.38 33.73 1xsi s VAL 663 CO 0.01 0.49 0.61 0.54 0.00 0.00 0.00 175.10 176.75 1xsi n ARG 664 N 3.65 -0.70 -1.91 2.72 1.74 -0.98 -1.16 116.66 120.02 1xsi n ARG 664 Ca -0.17 -0.16 -0.29 0.00 -0.77 0.00 0.00 57.85 56.45 1xsi n ARG 664 Cb 0.52 -2.00 0.11 0.00 -1.02 0.00 0.00 32.46 30.07 1xsi n ARG 664 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1xsi s ASP 665 N -2.20 4.24 -1.45 0.55 3.84 -1.22 -4.02 116.67 116.43 1xsi s ASP 665 Ca 0.60 0.68 -0.06 0.00 -0.00 0.00 0.00 52.55 53.77 1xsi s ASP 665 Cb -0.21 -1.09 0.03 0.00 -1.38 0.00 0.00 42.92 40.28 1xsi s ASP 665 CO 0.65 -2.06 0.54 0.59 -0.00 0.00 0.00 175.17 174.89 1xsi n ASN 666 N -3.40 -5.18 -4.43 2.11 3.02 -0.75 -4.96 115.26 101.67 1xsi n ASN 666 Ca 0.09 -0.31 -0.33 0.00 -0.03 0.00 0.00 54.58 54.01 1xsi n ASN 666 Cb 0.61 -4.21 -0.14 0.00 -0.61 0.00 0.00 39.78 35.43 1xsi n ASN 666 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xsi s THR 667 N -3.07 3.08 -0.25 3.41 2.01 -1.17 -4.32 115.64 115.32 1xsi s THR 667 Ca 0.33 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1xsi s THR 667 Cb -0.16 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.13 1xsi s THR 667 CO 0.41 0.56 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.60 1xsi s LEU 668 N -0.20 3.21 -0.08 4.42 2.96 -1.26 -1.04 118.68 126.69 1xsi s LEU 668 Ca 0.00 -0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 52.94 1xsi s LEU 668 Cb -0.13 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1xsi s LEU 668 CO 0.03 -0.14 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.66 1xsi s LEU 669 N 1.28 3.33 -0.26 -0.68 2.96 -0.20 -4.33 118.68 120.79 1xsi s LEU 669 Ca -0.01 0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.83 1xsi s LEU 669 Cb -0.17 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1xsi s LEU 669 CO -0.05 0.35 0.15 0.00 -1.32 0.00 0.00 176.35 175.49 1xsi s ALA 670 N -0.74 3.48 0.01 5.97 0.00 -1.26 -0.36 121.76 128.87 1xsi s ALA 670 Ca 0.11 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1xsi s ALA 670 Cb -0.11 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1xsi s ALA 670 CO 0.02 -0.40 -0.02 -0.51 0.00 0.00 0.00 175.76 174.85 1xsi s LEU 671 N 1.46 3.38 0.43 0.00 1.02 -0.01 -3.37 118.68 121.59 1xsi s LEU 671 Ca 0.07 -0.08 0.05 0.00 0.02 0.00 0.00 54.13 54.18 1xsi s LEU 671 Cb -0.15 -1.96 0.01 0.00 0.02 0.00 0.00 46.19 44.10 1xsi s LEU 671 CO 0.07 0.27 0.60 -0.83 0.02 0.00 0.00 176.35 176.48 1xsi s GLY 672 N -1.61 1.76 -0.02 -3.19 0.00 0.13 -0.90 107.32 103.48 1xsi s GLY 672 Ca 0.19 -1.44 0.19 0.00 0.00 0.00 0.00 44.72 43.67 1xsi s GLY 672 CO 0.10 -1.26 1.49 1.16 0.00 0.00 0.00 173.10 174.60 1xsi n ASN 673 N -1.94 3.69 -4.05 1.64 6.94 -1.26 -4.75 115.26 115.52 1xsi n ASN 673 Ca 0.05 -2.10 -0.31 0.00 -0.02 0.00 0.00 54.58 52.20 1xsi n ASN 673 Cb 0.59 -0.46 -0.16 0.00 -2.36 0.00 0.00 39.78 37.38 1xsi n ASN 673 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xsi s ASN 674 N -0.96 3.02 -0.17 0.53 3.84 -1.26 -5.00 114.94 114.94 1xsi s ASN 674 Ca 0.44 -0.64 0.16 0.00 0.21 0.00 0.00 52.86 53.02 1xsi s ASN 674 Cb 0.24 -1.30 0.58 0.00 -0.55 0.00 0.00 41.25 40.23 1xsi s ASN 674 CO 0.28 -0.06 1.49 -0.90 -2.79 0.00 0.00 177.10 175.12 1xsi n ASP 675 N 4.69 4.23 -0.00 -4.21 5.75 -1.26 -3.43 116.55 122.32 1xsi n ASP 675 Ca -0.18 -2.87 0.02 0.00 -0.01 0.00 0.00 54.79 51.75 1xsi n ASP 675 Cb 0.49 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 40.01 1xsi n ASP 675 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xsi n GLN 676 N -0.07 0.37 -3.75 0.11 1.13 -1.26 -4.07 117.38 109.83 1xsi n GLN 676 Ca 0.22 -0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 55.15 1xsi n GLN 676 Cb 0.91 -1.06 -0.06 0.00 0.11 0.00 0.00 30.24 30.14 1xsi n GLN 676 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1xsi s ARG 677 N -2.19 0.91 0.23 -1.09 1.70 -1.26 -4.72 118.95 112.53 1xsi s ARG 677 Ca -0.01 -0.76 0.14 0.00 -0.47 0.00 0.00 55.73 54.63 1xsi s ARG 677 Cb 0.02 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.78 1xsi s ARG 677 CO 0.14 -0.32 1.35 -1.00 -1.08 0.00 0.00 175.30 174.39 1xsi h PRO 678 N 2.74 0.00 -4.40 3.89 0.13 -1.87 -3.44 132.00 129.05 1xsi h PRO 678 Ca -0.33 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.08 1xsi h PRO 678 Cb 1.22 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.05 1xsi h PRO 678 CO 0.50 0.57 -0.46 0.16 -0.23 0.00 0.00 178.00 178.55 1xsi s ASP 679 N -6.44 5.58 0.17 1.44 -4.77 -1.26 -4.86 116.67 106.54 1xsi s ASP 679 Ca 0.03 -1.74 -0.04 0.00 -3.30 0.00 0.00 52.55 47.49 1xsi s ASP 679 Cb 0.08 -1.96 0.02 0.00 -1.09 0.00 0.00 42.92 39.96 1xsi s ASP 679 CO 0.77 -0.59 0.31 0.00 0.70 0.00 0.00 175.17 176.35 1xsi n TYR 680 N 4.85 -1.34 -2.86 2.11 4.11 -1.26 -5.04 117.16 117.73 1xsi n TYR 680 Ca -0.08 -0.94 -0.43 0.00 -0.00 0.00 0.00 57.90 56.45 1xsi n TYR 680 Cb 0.42 0.36 -0.03 0.00 -0.00 0.00 0.00 39.34 40.08 1xsi n TYR 680 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1xsi s VAL 681 N -2.60 4.45 0.19 -3.48 0.11 -1.26 -4.86 120.40 112.95 1xsi s VAL 681 Ca 0.10 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.29 1xsi s VAL 681 Cb -0.02 -4.75 -0.09 0.00 -1.53 0.00 0.00 36.38 30.00 1xsi s VAL 681 CO 0.07 -1.51 1.46 -0.50 -3.33 0.00 0.00 175.10 171.29 1xsi h TRP 682 N 9.30 0.45 0.00 1.54 6.55 -1.98 -2.99 115.95 128.82 1xsi h TRP 682 Ca -0.08 -0.20 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1xsi h TRP 682 Cb 1.05 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 29.28 1xsi h TRP 682 CO 1.07 0.93 0.00 -2.39 -1.05 0.00 0.00 178.44 177.00 1xsi n HIS 683 N -3.83 0.00 -4.33 0.49 1.44 -1.26 -4.24 115.22 103.49 1xsi n HIS 683 Ca -0.04 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.39 1xsi n HIS 683 Cb 0.69 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.63 1xsi n HIS 683 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1xsi s GLU 684 N -2.00 2.22 0.00 -1.40 2.02 -1.13 -1.81 118.70 116.59 1xsi s GLU 684 Ca 0.14 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1xsi s GLU 684 Cb 0.07 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1xsi s GLU 684 CO 0.11 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.69 1xsi n GLY 685 N 4.37 0.65 3.67 -1.39 0.00 -0.72 -4.70 105.19 107.08 1xsi n GLY 685 Ca -0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.38 1xsi n GLY 685 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsi n THR 686 N -2.00 0.14 -3.35 2.61 -1.04 -1.26 -4.30 114.28 105.08 1xsi n THR 686 Ca 0.00 -0.03 -0.45 0.00 -2.04 0.00 0.00 64.05 61.54 1xsi n THR 686 Cb 0.00 -1.66 -0.07 0.00 -1.82 0.00 0.00 70.33 66.79 1xsi n THR 686 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xsi s ALA 687 N 1.68 3.57 0.48 2.41 0.00 -0.08 -2.01 121.76 127.81 1xsi s ALA 687 Ca 0.82 -2.19 -0.19 0.00 0.00 0.00 0.00 51.96 50.41 1xsi s ALA 687 Cb -0.66 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 1xsi s ALA 687 CO 0.40 -1.82 0.97 -0.06 0.00 0.00 0.00 175.76 175.26 1xsi s PHE 688 N 1.71 3.36 -0.05 0.00 0.08 0.36 -0.83 117.98 122.61 1xsi s PHE 688 Ca 0.05 1.53 -0.02 0.00 0.12 0.00 0.00 56.93 58.61 1xsi s PHE 688 Cb -0.25 -2.83 0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1xsi s PHE 688 CO 0.06 -0.29 0.09 -1.01 -0.10 0.00 0.00 175.22 173.97 1xsi s HIS 689 N -2.41 -0.01 -0.24 0.36 3.76 0.52 -0.87 115.29 116.40 1xsi s HIS 689 Ca 0.61 0.35 -0.10 0.00 -0.15 0.00 0.00 55.06 55.77 1xsi s HIS 689 Cb -0.10 -0.40 -0.05 0.00 1.11 0.00 0.00 32.58 33.15 1xsi s HIS 689 CO 0.23 -0.21 0.13 -1.17 -0.85 0.00 0.00 174.74 172.88 1xsi s LEU 690 N 2.13 3.94 -0.20 0.89 2.96 -0.09 -1.03 118.68 127.27 1xsi s LEU 690 Ca 0.03 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1xsi s LEU 690 Cb -0.12 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.53 1xsi s LEU 690 CO -0.04 0.05 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.54 1xsi s PHE 691 N 1.14 2.87 -0.64 5.38 0.08 -0.20 -2.43 117.98 124.18 1xsi s PHE 691 Ca 0.06 -1.45 -0.16 0.00 0.12 0.00 0.00 56.93 55.50 1xsi s PHE 691 Cb -0.14 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 1xsi s PHE 691 CO 0.05 -0.73 0.37 0.09 -0.10 0.00 0.00 175.22 174.90 1xsi n ASN 692 N 4.67 -2.38 -4.66 1.36 3.02 -1.26 -1.82 115.26 114.19 1xsi n ASN 692 Ca -0.20 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.23 1xsi n ASN 692 Cb 0.50 -0.89 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 1xsi n ASN 692 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xsi s LEU 693 N -5.85 4.31 0.23 3.41 0.20 -1.26 -2.23 118.68 117.49 1xsi s LEU 693 Ca 0.22 2.18 -0.04 0.00 0.69 0.00 0.00 54.13 57.19 1xsi s LEU 693 Cb -0.12 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.05 1xsi s LEU 693 CO 0.54 -0.89 0.47 -1.10 -0.29 0.00 0.00 176.35 175.08 1xsi s GLN 694 N 3.79 3.60 -0.10 1.98 -0.21 -1.26 -4.97 119.66 122.50 1xsi s GLN 694 Ca 0.71 -0.11 -0.38 0.00 0.02 0.00 0.00 55.36 55.60 1xsi s GLN 694 Cb -0.32 -2.74 -0.16 0.00 1.00 0.00 0.00 33.01 30.79 1xsi s GLN 694 CO 0.28 0.32 1.58 -3.47 -2.12 0.00 0.00 175.29 171.88 1xsi n ASP 695 N -0.62 2.16 0.00 5.90 -0.08 -1.26 -1.55 116.55 121.09 1xsi n ASP 695 Ca -0.03 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.34 1xsi n ASP 695 Cb 0.53 -1.18 0.00 0.00 2.34 0.00 0.00 41.12 42.81 1xsi n ASP 695 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xsi n GLY 696 N 3.48 0.73 3.47 0.27 0.00 -0.07 -5.02 105.19 108.05 1xsi n GLY 696 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1xsi n GLY 696 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsi s HIS 697 N -2.24 2.35 -0.06 1.61 3.76 -0.60 -4.97 115.29 115.13 1xsi s HIS 697 Ca 0.00 -0.32 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 1xsi s HIS 697 Cb 0.00 -1.07 0.01 0.00 1.11 0.00 0.00 32.58 32.62 1xsi s HIS 697 CO 0.00 0.63 -0.16 -2.00 -0.85 0.00 0.00 174.74 172.36 1xsi s GLU 698 N -3.20 1.93 -0.15 1.40 2.12 -1.26 -1.58 118.70 117.95 1xsi s GLU 698 Ca 0.27 -0.55 -0.05 0.00 0.36 0.00 0.00 54.97 54.99 1xsi s GLU 698 Cb -0.06 -1.59 -0.04 0.00 0.26 0.00 0.00 34.13 32.71 1xsi s GLU 698 CO 0.14 0.13 0.02 0.00 -0.54 0.00 0.00 175.26 175.01 1xsi s ALA 699 N 0.38 3.29 -0.06 6.30 0.00 -0.18 -4.94 121.76 126.56 1xsi s ALA 699 Ca -0.11 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.14 1xsi s ALA 699 Cb -0.14 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 1xsi s ALA 699 CO 0.04 0.30 -0.24 0.08 0.00 0.00 0.00 175.76 175.93 1xsi s VAL 700 N 0.03 2.11 -0.09 0.00 1.01 -1.26 -1.66 120.40 120.55 1xsi s VAL 700 Ca 0.04 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1xsi s VAL 700 Cb -0.13 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1xsi s VAL 700 CO 0.02 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.53 1xsi s GLU 702 N 0.68 2.97 -0.19 0.00 2.02 -1.26 -0.57 118.70 122.34 1xsi s GLU 702 Ca -0.13 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 53.86 1xsi s GLU 702 Cb -0.16 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 1xsi s GLU 702 CO 0.04 -0.14 0.45 0.08 0.02 0.00 0.00 175.26 175.70 1xsi s VAL 703 N 1.13 5.16 0.35 2.63 1.01 -0.14 -4.85 120.40 125.70 1xsi s VAL 703 Ca 0.01 0.82 -0.13 0.00 0.00 0.00 0.00 61.98 62.68 1xsi s VAL 703 Cb -0.14 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1xsi s VAL 703 CO -0.09 0.23 0.74 -2.16 0.00 0.00 0.00 175.10 173.82 1xsi s PRO 704 N 1.38 3.89 1.07 2.72 0.04 -1.26 -0.58 135.00 142.26 1xsi s PRO 704 Ca 0.21 0.55 -0.18 0.00 0.04 0.00 0.00 61.00 61.63 1xsi s PRO 704 Cb -0.15 -2.43 0.24 0.00 0.04 0.00 0.00 34.50 32.21 1xsi s PRO 704 CO 0.09 0.08 1.26 0.00 0.04 0.00 0.00 177.00 178.46 1xsi s ALA 705 N -2.15 1.60 0.40 8.56 0.00 0.24 -4.68 121.76 125.73 1xsi s ALA 705 Ca 0.52 -1.17 0.12 0.00 0.00 0.00 0.00 51.96 51.43 1xsi s ALA 705 Cb -0.10 -2.79 0.93 0.00 0.00 0.00 0.00 23.12 21.15 1xsi s ALA 705 CO 0.24 -2.94 1.93 0.00 0.00 0.00 0.00 175.76 174.99 1xsi h ALA 706 N -2.06 1.94 -0.36 0.00 0.00 -1.94 -0.94 119.26 115.90 1xsi h ALA 706 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xsi h ALA 706 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xsi h ALA 706 CO 0.34 -0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.07 1xsi n ASP 707 N -4.49 2.50 0.00 0.00 5.75 -1.26 -4.71 116.55 114.33 1xsi n ASP 707 Ca 0.13 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1xsi n ASP 707 Cb 0.42 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1xsi n ASP 707 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsi n GLY 708 N 0.88 2.83 3.78 6.12 0.00 -0.36 -5.03 105.19 113.42 1xsi n GLY 708 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1xsi n GLY 708 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsi s SER 709 N -3.55 5.27 -0.18 1.61 1.04 -1.26 -4.64 113.70 111.99 1xsi s SER 709 Ca 0.00 1.98 -0.29 0.00 0.48 0.00 0.00 55.95 58.12 1xsi s SER 709 Cb 0.00 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 1xsi s SER 709 CO 0.00 -1.52 1.00 -0.69 0.98 0.00 0.00 173.24 173.02 1xsi s VAL 710 N -2.33 4.74 -0.13 5.02 1.01 -1.26 0.79 120.40 128.24 1xsi s VAL 710 Ca 0.67 1.99 0.16 0.00 0.00 0.00 0.00 61.98 64.79 1xsi s VAL 710 Cb -0.20 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.65 1xsi s VAL 710 CO 0.40 -0.09 0.32 0.00 0.00 0.00 0.00 175.10 175.73 1xsi n ILE 711 N 4.98 1.48 -3.76 2.22 3.06 0.26 -4.82 119.36 122.78 1xsi n ILE 711 Ca 0.10 -0.83 -0.13 0.00 -2.50 0.00 0.00 62.75 59.39 1xsi n ILE 711 Cb 0.47 -0.70 -0.13 0.00 0.54 0.00 0.00 39.64 39.82 1xsi n ILE 711 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 1xsi s PHE 712 N -2.54 -0.23 -0.16 9.51 5.36 -1.11 -1.30 117.98 127.51 1xsi s PHE 712 Ca -0.08 0.59 0.02 0.00 -0.96 0.00 0.00 56.93 56.50 1xsi s PHE 712 Cb 0.07 0.02 0.02 0.00 -0.34 0.00 0.00 43.02 42.78 1xsi s PHE 712 CO 0.83 -0.16 -0.20 0.99 -1.46 0.00 0.00 175.22 175.21 1xsi s THR 713 N 0.79 2.02 -0.13 0.12 2.01 -0.22 -0.96 115.64 119.27 1xsi s THR 713 Ca -0.06 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 1xsi s THR 713 Cb -0.07 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1xsi s THR 713 CO -0.04 0.54 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.16 1xsi s LEU 714 N 1.09 3.26 -0.07 4.42 2.96 0.26 -0.98 118.68 129.63 1xsi s LEU 714 Ca -0.00 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1xsi s LEU 714 Cb -0.14 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.78 1xsi s LEU 714 CO -0.08 0.22 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.44 1xsi s LYS 715 N 0.06 2.25 -0.18 1.98 1.02 0.77 -0.70 119.74 124.94 1xsi s LYS 715 Ca -0.00 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.30 1xsi s LYS 715 Cb -0.13 -1.83 0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1xsi s LYS 715 CO 0.03 0.20 -0.17 0.00 -0.92 0.00 0.00 175.35 174.49 1xsi s ALA 716 N 0.24 2.44 -0.07 5.17 0.00 -0.66 -1.01 121.76 127.86 1xsi s ALA 716 Ca -0.11 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 50.73 1xsi s ALA 716 Cb -0.15 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1xsi s ALA 716 CO 0.05 -0.28 -0.22 0.00 0.00 0.00 0.00 175.76 175.31 1xsi s ALA 717 N 1.19 1.98 -0.23 0.00 0.00 0.62 -1.01 121.76 124.32 1xsi s ALA 717 Ca 0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 1xsi s ALA 717 Cb -0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1xsi s ALA 717 CO -0.08 0.32 0.10 0.50 0.00 0.00 0.00 175.76 176.60 1xsi s ARG 718 N 0.12 3.87 0.00 0.00 3.52 -0.62 -0.67 118.95 125.17 1xsi s ARG 718 Ca -0.10 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 1xsi s ARG 718 Cb -0.15 -3.37 -0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1xsi s ARG 718 CO 0.05 0.00 0.32 -2.37 -0.81 0.00 0.00 175.30 172.50 1xsi n THR 719 N 4.39 0.00 0.00 4.11 5.66 -0.94 -0.89 114.28 126.61 1xsi n THR 719 Ca -0.16 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 1xsi n THR 719 Cb 0.52 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.32 1xsi n THR 719 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsi n GLY 720 N 0.52 -1.10 1.07 1.09 0.00 -1.26 -4.83 105.19 100.68 1xsi n GLY 720 Ca 0.01 0.60 0.09 0.00 0.00 0.00 0.00 46.02 46.71 1xsi n GLY 720 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsi n ASN 721 N 0.00 3.65 -4.29 1.61 3.02 -1.26 -4.78 115.26 113.21 1xsi n ASN 721 Ca 0.00 -2.11 -0.35 0.00 -0.03 0.00 0.00 54.58 52.09 1xsi n ASN 721 Cb 0.00 -0.40 -0.14 0.00 -0.61 0.00 0.00 39.78 38.63 1xsi n ASN 721 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xsi s THR 722 N -1.21 3.32 -0.25 3.41 2.01 -1.26 -0.70 115.64 120.96 1xsi s THR 722 Ca 0.39 -0.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 1xsi s THR 722 Cb 0.22 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1xsi s THR 722 CO 0.24 0.35 0.06 0.27 -0.69 0.00 0.00 174.62 174.85 1xsi s ILE 723 N 1.45 4.28 0.02 1.82 -4.36 0.23 -2.23 121.20 122.43 1xsi s ILE 723 Ca 0.04 -0.18 -0.20 0.00 -0.26 0.00 0.00 60.65 60.06 1xsi s ILE 723 Cb -0.15 -3.00 -0.06 0.00 1.25 0.00 0.00 42.46 40.50 1xsi s ILE 723 CO -0.03 0.35 0.57 -0.89 0.24 0.00 0.00 174.94 175.18 1xsi s THR 724 N 1.56 4.85 -0.22 8.37 2.01 0.16 -0.45 115.64 131.92 1xsi s THR 724 Ca 0.06 1.20 0.01 0.00 0.31 0.00 0.00 61.69 63.27 1xsi s THR 724 Cb -0.15 -3.90 0.06 0.00 0.01 0.00 0.00 72.50 68.51 1xsi s THR 724 CO 0.03 0.48 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.69 1xsi s VAL 725 N -0.58 1.55 -0.12 3.82 1.01 -0.77 -0.28 120.40 125.03 1xsi s VAL 725 Ca 0.30 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1xsi s VAL 725 Cb -0.19 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1xsi s VAL 725 CO 0.17 -0.03 -0.17 0.42 0.00 0.00 0.00 175.10 175.50 1xsi s THR 726 N 1.40 2.73 0.11 3.92 -4.23 -0.18 -4.34 115.64 115.05 1xsi s THR 726 Ca -0.05 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1xsi s THR 726 Cb -0.18 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 1xsi s THR 726 CO -0.07 0.54 0.18 -0.83 -0.54 0.00 0.00 174.62 173.90 1xsi s GLY 727 N 0.30 1.94 -0.08 3.99 0.00 -1.26 -0.17 107.32 112.05 1xsi s GLY 727 Ca -0.13 -1.00 -0.06 0.00 0.00 0.00 0.00 44.72 43.53 1xsi s GLY 727 CO 0.07 -0.99 0.19 0.00 0.00 0.00 0.00 173.10 172.36 1xsi s ALA 728 N -1.58 -0.44 0.00 3.20 0.00 -0.15 -4.99 121.76 117.80 1xsi s ALA 728 Ca 0.33 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1xsi s ALA 728 Cb -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1xsi s ALA 728 CO 0.26 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1xsi n GLY 729 N 3.46 0.53 3.22 0.00 0.00 -1.26 -1.05 105.19 110.09 1xsi n GLY 729 Ca -0.18 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 1xsi n GLY 729 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsi s GLU 730 N 0.00 3.15 0.13 1.61 2.12 -0.42 -4.96 118.70 120.34 1xsi s GLU 730 Ca 0.00 -0.77 -0.19 0.00 0.36 0.00 0.00 54.97 54.37 1xsi s GLU 730 Cb 0.00 -2.62 0.05 0.00 0.26 0.00 0.00 34.13 31.82 1xsi s GLU 730 CO 0.00 -0.07 0.48 0.00 -0.54 0.00 0.00 175.26 175.14 1xsi s ALA 731 N 1.00 -1.21 -0.03 6.30 0.00 -1.26 -4.24 121.76 122.31 1xsi s ALA 731 Ca -0.02 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 1xsi s ALA 731 Cb -0.15 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.73 1xsi s ALA 731 CO -0.04 -0.68 0.15 0.15 0.00 0.00 0.00 175.76 175.35 1xsi s LYS 732 N -3.69 0.33 -1.46 0.00 3.01 -0.75 -4.94 119.74 112.24 1xsi s LYS 732 Ca 0.02 -0.06 -0.08 0.00 -1.01 0.00 0.00 55.97 54.83 1xsi s LYS 732 Cb 0.01 0.14 0.04 0.00 -1.01 0.00 0.00 37.83 37.01 1xsi s LYS 732 CO -0.12 -0.07 0.76 -1.71 0.51 0.00 0.00 175.35 174.72 1xsi n ASN 733 N 2.28 -5.34 -4.95 2.83 2.85 -1.26 -1.75 115.26 109.92 1xsi n ASN 733 Ca -0.17 -0.46 -0.23 0.00 -0.11 0.00 0.00 54.58 53.61 1xsi n ASN 733 Cb 0.57 -4.30 -0.01 0.00 1.24 0.00 0.00 39.78 37.29 1xsi n ASN 733 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1xsi s TRP 734 N -3.17 3.44 0.04 1.20 1.48 -1.26 -3.98 118.94 116.68 1xsi s TRP 734 Ca 0.45 0.24 0.03 0.00 -1.06 0.00 0.00 56.10 55.76 1xsi s TRP 734 Cb -0.22 -1.90 -0.02 0.00 -1.16 0.00 0.00 33.47 30.18 1xsi s TRP 734 CO 0.56 0.11 -0.09 0.99 -4.06 0.00 0.00 176.95 174.46 1xsi s THR 735 N -2.28 0.67 -0.13 0.66 2.01 -0.85 -4.47 115.64 111.23 1xsi s THR 735 Ca 0.40 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 1xsi s THR 735 Cb -0.10 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.77 1xsi s THR 735 CO 0.35 -0.21 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.75 1xsi s LEU 736 N -1.26 1.42 -0.21 4.42 0.20 -0.73 -0.49 118.68 122.04 1xsi s LEU 736 Ca -0.05 -0.41 -0.08 0.00 0.69 0.00 0.00 54.13 54.28 1xsi s LEU 736 Cb -0.08 -0.98 -0.04 0.00 -0.43 0.00 0.00 46.19 44.66 1xsi s LEU 736 CO 0.01 -0.10 0.07 0.00 -0.29 0.00 0.00 176.35 176.04 1xsi s LEU 738 N 0.83 5.14 0.28 0.00 1.43 0.95 -0.91 118.68 126.39 1xsi s LEU 738 Ca 0.04 -1.66 -0.30 0.00 -1.03 0.00 0.00 54.13 51.19 1xsi s LEU 738 Cb -0.14 -2.36 -0.11 0.00 0.03 0.00 0.00 46.19 43.62 1xsi s LEU 738 CO 0.02 -1.13 1.47 -0.13 0.23 0.00 0.00 176.35 176.81 1xsi s ARG 739 N 2.81 4.22 -1.36 1.70 1.81 -1.02 -2.34 118.95 124.78 1xsi s ARG 739 Ca 0.22 2.39 0.00 0.00 -1.72 0.00 0.00 55.73 56.63 1xsi s ARG 739 Cb -0.14 -3.07 0.00 0.00 -0.45 0.00 0.00 34.95 31.29 1xsi s ARG 739 CO 0.00 -0.47 0.00 0.09 -0.68 0.00 0.00 175.30 174.25 1xsi n ASN 740 N 1.96 -5.65 -4.15 0.23 3.02 0.14 -4.69 115.26 106.12 1xsi n ASN 740 Ca 0.06 0.32 -0.38 0.00 -0.03 0.00 0.00 54.58 54.54 1xsi n ASN 740 Cb 0.40 -4.28 -0.09 0.00 -0.61 0.00 0.00 39.78 35.19 1xsi n ASN 740 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xsi s VAL 741 N -2.10 3.83 0.09 2.41 1.01 -0.99 -5.00 120.40 119.65 1xsi s VAL 741 Ca 0.00 -2.26 -0.29 0.00 0.00 0.00 0.00 61.98 59.43 1xsi s VAL 741 Cb 0.00 -3.53 -0.15 0.00 0.00 0.00 0.00 36.38 32.70 1xsi s VAL 741 CO 0.00 -0.79 1.65 -0.37 0.00 0.00 0.00 175.10 175.59 1xsi h VAL 742 N 5.89 0.49 -3.85 2.92 -1.51 -1.92 -0.91 116.25 117.36 1xsi h VAL 742 Ca -0.11 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 65.10 1xsi h VAL 742 Cb 1.03 0.49 -0.27 0.00 -2.13 0.00 0.00 31.29 30.42 1xsi h VAL 742 CO 0.76 0.00 -0.73 -0.75 -1.23 0.00 0.00 177.57 175.61 1xsi s LYS 743 N -6.08 0.24 0.32 5.19 2.20 -1.26 -4.38 119.74 115.97 1xsi s LYS 743 Ca -0.16 -0.22 0.08 0.00 -0.36 0.00 0.00 55.97 55.31 1xsi s LYS 743 Cb 0.05 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 1xsi s LYS 743 CO 0.64 0.04 0.13 0.54 -0.36 0.00 0.00 175.35 176.34 1xsi s VAL 744 N -0.37 3.29 -0.05 4.02 0.11 -1.26 -4.48 120.40 121.66 1xsi s VAL 744 Ca -0.02 -1.68 -0.23 0.00 -2.93 0.00 0.00 61.98 57.12 1xsi s VAL 744 Cb -0.03 -3.01 -0.30 0.00 -1.53 0.00 0.00 36.38 31.51 1xsi s VAL 744 CO -0.00 -0.24 0.91 -1.13 -3.33 0.00 0.00 175.10 171.31 1xsi h ASN 745 N 1.58 0.42 -5.24 3.54 -1.24 -1.06 -3.43 115.58 110.15 1xsi h ASN 745 Ca -0.44 -0.93 -0.07 0.00 0.71 0.00 0.00 56.30 55.57 1xsi h ASN 745 Cb 1.25 -0.13 -0.08 0.00 0.73 0.00 0.00 38.32 40.08 1xsi h ASN 745 CO 0.62 1.31 -0.08 -0.83 -1.29 0.00 0.00 177.43 177.16 1xsi s GLY 746 N -4.34 0.58 -0.25 1.57 0.00 -0.90 -5.00 107.32 98.97 1xsi s GLY 746 Ca -0.14 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 1xsi s GLY 746 CO 0.81 -0.61 0.57 1.08 0.00 0.00 0.00 173.10 174.95 1xsi s LEU 747 N -3.04 -0.82 0.02 0.66 1.43 -1.26 -2.05 118.68 113.62 1xsi s LEU 747 Ca 0.22 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 1xsi s LEU 747 Cb -0.01 1.95 -0.04 0.00 0.03 0.00 0.00 46.19 48.12 1xsi s LEU 747 CO 0.10 -0.22 -0.00 0.00 0.23 0.00 0.00 176.35 176.46 1xsi s GLN 748 N 2.32 2.72 -2.01 1.70 0.00 -0.91 -4.65 119.66 118.82 1xsi s GLN 748 Ca -0.06 -0.67 0.00 0.00 -0.00 0.00 0.00 55.36 54.62 1xsi s GLN 748 Cb -0.10 -2.63 0.00 0.00 0.00 0.00 0.00 33.01 30.28 1xsi s GLN 748 CO -0.17 0.60 0.00 -0.25 0.00 0.00 0.00 175.29 175.47 1xsi n ASP 749 N 1.18 -5.65 -3.80 12.60 9.92 -1.26 -2.88 116.55 126.66 1xsi n ASP 749 Ca -0.13 0.28 -0.10 0.00 -0.53 0.00 0.00 54.79 54.30 1xsi n ASP 749 Cb 0.52 -4.86 -0.07 0.00 -0.64 0.00 0.00 41.12 36.08 1xsi n ASP 749 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xsi s GLY 750 N -2.44 -0.02 0.26 0.44 0.00 -1.26 -0.41 107.32 103.89 1xsi s GLY 750 Ca 0.00 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.49 1xsi s GLY 750 CO 0.00 -0.51 0.14 -1.35 0.00 0.00 0.00 173.10 171.39 1xsi s SER 751 N -2.46 5.21 0.04 1.64 1.04 0.59 -4.95 113.70 114.81 1xsi s SER 751 Ca -0.00 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 1xsi s SER 751 Cb 0.02 -1.21 -0.03 0.00 0.10 0.00 0.00 66.02 64.90 1xsi s SER 751 CO -0.07 -0.05 -0.03 0.00 0.98 0.00 0.00 173.24 174.07 1xsi s GLN 752 N -3.80 0.50 -0.20 4.02 -2.07 -1.26 -0.70 119.66 116.14 1xsi s GLN 752 Ca 0.33 -0.97 -0.18 0.00 -1.82 0.00 0.00 55.36 52.72 1xsi s GLN 752 Cb -0.07 0.14 0.05 0.00 -1.09 0.00 0.00 33.01 32.04 1xsi s GLN 752 CO 0.23 -0.08 0.54 0.00 -1.32 0.00 0.00 175.29 174.66 1xsi s ALA 753 N -2.88 -1.34 0.71 2.60 0.00 -0.58 -5.01 121.76 115.26 1xsi s ALA 753 Ca -0.02 1.57 -0.14 0.00 0.00 0.00 0.00 51.96 53.36 1xsi s ALA 753 Cb 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.24 1xsi s ALA 753 CO -0.06 -0.26 1.15 -1.21 0.00 0.00 0.00 175.76 175.38 1xsi s GLU 754 N 0.42 2.38 0.13 0.00 2.02 -1.26 -1.43 118.70 120.95 1xsi s GLU 754 Ca -0.01 1.55 -0.19 0.00 0.02 0.00 0.00 54.97 56.34 1xsi s GLU 754 Cb -0.04 -1.88 0.05 0.00 0.10 0.00 0.00 34.13 32.35 1xsi s GLU 754 CO -0.01 -1.61 0.48 -1.54 0.02 0.00 0.00 175.26 172.60 1xsi s SER 755 N -2.38 -0.37 0.50 -0.19 1.04 -1.22 -4.77 113.70 106.31 1xsi s SER 755 Ca 0.70 -0.17 0.18 0.00 0.48 0.00 0.00 55.95 57.15 1xsi s SER 755 Cb -0.24 0.52 1.25 0.00 0.10 0.00 0.00 66.02 67.64 1xsi s SER 755 CO 0.45 -0.88 2.09 -0.08 0.98 0.00 0.00 173.24 175.79 1xsi h GLU 756 N 2.27 0.00 0.00 4.02 4.22 -2.01 -1.87 114.58 121.21 1xsi h GLU 756 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.10 1xsi h GLU 756 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1xsi h GLU 756 CO 0.43 0.09 -0.32 0.94 -2.18 0.00 0.00 179.01 177.98 1xsi n GLN 757 N -4.25 0.27 0.00 1.92 7.27 -1.26 -4.91 117.38 116.42 1xsi n GLN 757 Ca -0.03 0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.19 1xsi n GLN 757 Cb 0.17 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.08 1xsi n GLN 757 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xsi n GLY 758 N 1.33 3.23 3.77 1.69 0.00 -0.70 -0.69 105.19 113.81 1xsi n GLY 758 Ca 0.04 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 1xsi n GLY 758 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsi s LEU 759 N 0.00 4.12 -0.19 0.99 2.96 -0.35 -3.40 118.68 122.81 1xsi s LEU 759 Ca 0.00 2.89 -0.02 0.00 -0.22 0.00 0.00 54.13 56.78 1xsi s LEU 759 Cb 0.00 -3.94 -0.00 0.00 0.50 0.00 0.00 46.19 42.75 1xsi s LEU 759 CO 0.00 -1.15 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.09 1xsi s VAL 760 N -1.21 3.02 -0.12 1.68 1.01 -0.52 -0.04 120.40 124.23 1xsi s VAL 760 Ca 0.61 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1xsi s VAL 760 Cb -0.43 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1xsi s VAL 760 CO 0.55 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 175.31 1xsi s VAL 761 N 1.11 3.05 -0.21 2.92 1.01 0.04 -1.52 120.40 126.80 1xsi s VAL 761 Ca 0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1xsi s VAL 761 Cb -0.14 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1xsi s VAL 761 CO -0.03 0.53 0.01 -0.75 0.00 0.00 0.00 175.10 174.87 1xsi s LYS 762 N 0.24 3.61 0.89 2.72 2.20 0.12 -1.77 119.74 127.76 1xsi s LYS 762 Ca -0.09 -0.52 -0.13 0.00 -0.36 0.00 0.00 55.97 54.88 1xsi s LYS 762 Cb -0.15 -3.12 0.13 0.00 -1.51 0.00 0.00 37.83 33.17 1xsi s LYS 762 CO 0.05 -0.05 1.16 -1.25 -0.36 0.00 0.00 175.35 174.90 1xsi s PRO 763 N 1.17 1.29 -0.30 4.03 0.04 -1.26 -0.30 135.00 139.67 1xsi s PRO 763 Ca 0.03 0.19 -0.17 0.00 0.04 0.00 0.00 61.00 61.10 1xsi s PRO 763 Cb -0.14 -1.87 0.19 0.00 0.04 0.00 0.00 34.50 32.72 1xsi s PRO 763 CO 0.02 -2.07 1.17 1.14 0.04 0.00 0.00 177.00 177.29 1xsi s GLN 764 N -5.40 0.15 0.00 4.56 0.00 0.45 -4.80 119.66 114.62 1xsi s GLN 764 Ca 0.64 0.29 0.00 0.00 -0.00 0.00 0.00 55.36 56.29 1xsi s GLN 764 Cb -0.13 0.08 0.00 0.00 0.00 0.00 0.00 33.01 32.96 1xsi s GLN 764 CO 0.52 -0.04 0.00 0.41 0.00 0.00 0.00 175.29 176.18 1xsi n GLY 765 N 3.71 2.80 3.83 2.60 0.00 -1.26 -4.53 105.19 112.34 1xsi n GLY 765 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1xsi n GLY 765 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xsi n ASN 766 N 0.00 -4.90 -0.11 1.61 5.15 -1.26 -4.87 115.26 110.88 1xsi n ASN 766 Ca 0.00 -1.04 -0.13 0.00 -0.60 0.00 0.00 54.58 52.81 1xsi n ASN 766 Cb 0.00 -2.26 -0.14 0.00 -0.53 0.00 0.00 39.78 36.85 1xsi n ASN 766 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xsi n ALA 767 N -3.78 1.47 0.00 5.20 0.00 -1.26 -5.03 120.51 117.11 1xsi n ALA 767 Ca -0.18 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1xsi n ALA 767 Cb 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1xsi n ALA 767 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xsi n LEU 768 N -2.97 0.00 -3.94 0.00 7.94 -1.26 -4.32 117.00 112.45 1xsi n LEU 768 Ca -0.38 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.36 1xsi n LEU 768 Cb 1.09 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.89 1xsi n LEU 768 CO 0.36 0.00 -0.40 0.42 -1.11 0.00 0.00 177.39 176.66 1xsi s THR 769 N 0.00 0.37 -0.13 1.96 -4.23 -1.14 -1.85 115.64 110.61 1xsi s THR 769 Ca 0.00 -0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.27 1xsi s THR 769 Cb 0.00 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1xsi s THR 769 CO 0.00 0.11 0.07 -0.63 -0.54 0.00 0.00 174.62 173.64 1xsi s ILE 770 N -0.00 4.91 -0.30 2.99 -1.09 0.40 -2.14 121.20 125.98 1xsi s ILE 770 Ca 0.01 -0.01 -0.07 0.00 -2.23 0.00 0.00 60.65 58.35 1xsi s ILE 770 Cb -0.03 -3.15 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1xsi s ILE 770 CO -0.00 0.56 0.08 -0.89 -1.23 0.00 0.00 174.94 173.45 1xsi s THR 771 N -0.48 3.91 0.42 2.92 2.01 -0.87 -0.60 115.64 122.95 1xsi s THR 771 Ca 0.10 -0.73 -0.23 0.00 0.31 0.00 0.00 61.69 61.15 1xsi s THR 771 Cb -0.12 -3.03 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 1xsi s THR 771 CO 0.02 0.07 1.00 -0.76 -0.69 0.00 0.00 174.62 174.26 1xsi s LEU 772 N 1.49 4.05 0.00 4.42 2.01 0.12 -0.58 118.68 130.19 1xsi s LEU 772 Ca 0.02 1.88 0.00 0.00 0.01 0.00 0.00 54.13 56.04 1xsi s LEU 772 Cb -0.17 -4.35 0.00 0.00 0.01 0.00 0.00 46.19 41.68 1xsi s LEU 772 CO 0.02 -0.46 0.20 0.00 1.01 0.00 0.00 176.35 177.13