#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 4.44 -0.07 2.12 -0.14 -1.26 -4.91 119.74 119.92 1xsi s LYS 2 Ca 0.00 1.50 -0.06 0.00 -1.36 0.00 0.00 55.97 56.05 1xsi s LYS 2 Cb 0.00 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.61 1xsi s LYS 2 CO 0.00 -0.28 -0.14 -0.89 -0.76 0.00 0.00 175.35 173.28 1xsi n ILE 3 N 4.34 0.97 -1.93 2.17 5.41 -1.26 -4.84 119.36 124.22 1xsi n ILE 3 Ca 0.09 0.06 -0.31 0.00 1.00 0.00 0.00 62.75 63.58 1xsi n ILE 3 Cb 0.48 -1.77 0.01 0.00 -0.71 0.00 0.00 39.64 37.65 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 -5.99 6.27 -0.56 4.38 1.04 -1.26 -0.26 113.70 117.32 1xsi s SER 4 Ca -0.14 1.43 0.04 0.00 0.48 0.00 0.00 55.95 57.76 1xsi s SER 4 Cb 0.04 -2.47 0.14 0.00 0.10 0.00 0.00 66.02 63.83 1xsi s SER 4 CO 0.19 -0.84 0.32 -0.62 0.98 0.00 0.00 173.24 173.27 1xsi s ASP 5 N -4.07 4.33 0.92 7.02 2.15 0.34 -4.31 116.67 123.06 1xsi s ASP 5 Ca 0.55 -3.19 0.00 0.00 0.43 0.00 0.00 52.55 50.35 1xsi s ASP 5 Cb -0.11 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.95 1xsi s ASP 5 CO 0.52 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.93 1xsi n GLY 6 N 2.86 -1.02 0.19 2.66 0.00 -1.26 -2.48 105.19 106.14 1xsi n GLY 6 Ca 0.09 -1.02 0.01 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.04 0.08 0.58 1.61 -1.24 -1.96 -3.31 115.58 111.29 1xsi h ASN 7 Ca 0.00 -0.03 -0.17 0.00 0.71 0.00 0.00 56.30 56.81 1xsi h ASN 7 Cb 0.04 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 1xsi h ASN 7 CO 0.00 0.48 -1.55 0.79 -1.29 0.00 0.00 177.43 175.85 1xsi n TRP 8 N -4.05 0.81 -4.42 0.67 7.02 -1.26 -5.02 117.44 111.19 1xsi n TRP 8 Ca -0.02 0.27 -0.22 0.00 -1.02 0.00 0.00 57.50 56.51 1xsi n TRP 8 Cb 0.44 -1.03 -0.08 0.00 -2.42 0.00 0.00 31.31 28.22 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 -5.64 1.87 0.09 -0.99 1.43 -1.04 -5.00 118.68 109.40 1xsi s LEU 9 Ca -0.04 -1.65 0.10 0.00 -1.03 0.00 0.00 54.13 51.51 1xsi s LEU 9 Cb 0.09 0.09 -0.03 0.00 0.03 0.00 0.00 46.19 46.36 1xsi s LEU 9 CO 0.82 -0.93 -0.25 -0.63 0.23 0.00 0.00 176.35 175.59 1xsi s ILE 10 N -3.37 2.08 0.36 -0.59 1.01 -1.26 0.13 121.20 119.56 1xsi s ILE 10 Ca 0.31 -1.57 -0.26 0.00 0.00 0.00 0.00 60.65 59.12 1xsi s ILE 10 Cb 0.03 -1.83 -0.12 0.00 0.01 0.00 0.00 42.46 40.56 1xsi s ILE 10 CO 0.18 0.15 1.12 0.00 0.00 0.00 0.00 174.94 176.39 1xsi n GLN 11 N 1.26 1.64 -1.73 2.79 1.13 0.64 -4.48 117.38 118.63 1xsi n GLN 11 Ca -0.18 0.58 -0.42 0.00 -1.94 0.00 0.00 57.00 55.04 1xsi n GLN 11 Cb 0.53 -2.11 -0.03 0.00 0.11 0.00 0.00 30.24 28.74 1xsi n GLN 11 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1xsi s PRO 12 N -1.88 4.12 0.00 -1.09 0.02 -1.26 -2.42 135.00 132.49 1xsi s PRO 12 Ca 0.59 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.23 1xsi s PRO 12 Cb -0.59 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 30.87 1xsi s PRO 12 CO 0.59 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.93 1xsi n GLY 13 N 3.67 0.73 3.65 0.52 0.00 -1.26 -4.86 105.19 107.65 1xsi n GLY 13 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.25 0.99 1.43 -1.02 -0.14 118.68 123.81 1xsi s LEU 14 Ca 0.00 0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 1xsi s LEU 14 Cb 0.00 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1xsi s LEU 14 CO 0.00 -0.06 0.12 0.20 0.23 0.00 0.00 176.35 176.84 1xsi s ASN 15 N 1.20 5.58 -0.08 2.29 0.01 -0.41 -4.88 114.94 118.64 1xsi s ASN 15 Ca 0.14 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 1xsi s ASN 15 Cb -0.15 -2.01 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 1xsi s ASN 15 CO 0.07 -0.00 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.84 1xsi s LEU 16 N 1.45 3.19 0.03 0.60 1.43 -1.26 -0.92 118.68 123.20 1xsi s LEU 16 Ca 0.06 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1xsi s LEU 16 Cb -0.15 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1xsi s LEU 16 CO 0.06 0.34 -0.10 0.27 0.23 0.00 0.00 176.35 177.15 1xsi s ILE 17 N -0.66 0.77 0.02 -0.59 -4.36 -0.87 -5.00 121.20 110.51 1xsi s ILE 17 Ca 0.10 -0.89 0.01 0.00 -0.26 0.00 0.00 60.65 59.61 1xsi s ILE 17 Cb -0.11 -0.74 -0.02 0.00 1.25 0.00 0.00 42.46 42.84 1xsi s ILE 17 CO 0.02 -0.12 -0.06 -1.00 0.24 0.00 0.00 174.94 174.02 1xsi s HIS 18 N -0.92 0.48 -0.06 1.37 3.76 -1.26 -1.13 115.29 117.53 1xsi s HIS 18 Ca -0.03 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.20 1xsi s HIS 18 Cb -0.08 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.27 1xsi s HIS 18 CO 0.01 -0.09 1.41 -1.25 -0.85 0.00 0.00 174.74 173.97 1xsi s PRO 19 N -1.14 4.25 0.00 8.40 0.04 -1.26 -3.66 135.00 141.63 1xsi s PRO 19 Ca -0.08 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1xsi s PRO 19 Cb -0.08 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1xsi s PRO 19 CO -0.00 -0.67 0.00 1.28 0.04 0.00 0.00 177.00 177.65 1xsi n LEU 20 N 6.13 0.00 -3.68 -3.56 4.77 0.25 -4.56 117.00 116.35 1xsi n LEU 20 Ca 0.14 -0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 1xsi n LEU 20 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1xsi n LEU 20 CO 0.59 0.00 0.11 -1.58 -1.33 0.00 0.00 177.39 175.18 1xsi s GLN 21 N -1.09 0.45 0.01 3.23 0.74 -0.97 -4.21 119.66 117.83 1xsi s GLN 21 Ca 0.00 0.90 -0.30 0.00 0.05 0.00 0.00 55.36 56.00 1xsi s GLN 21 Cb 0.00 0.04 -0.07 0.00 1.10 0.00 0.00 33.01 34.08 1xsi s GLN 21 CO 0.00 -0.16 1.67 0.08 -0.55 0.00 0.00 175.29 176.33 1xsi s VAL 22 N 1.54 3.28 -0.22 1.34 1.01 -1.26 -0.80 120.40 125.30 1xsi s VAL 22 Ca -0.09 0.56 -0.15 0.00 0.00 0.00 0.00 61.98 62.30 1xsi s VAL 22 Cb -0.08 -3.36 -0.18 0.00 0.00 0.00 0.00 36.38 32.76 1xsi s VAL 22 CO -0.14 -0.03 0.04 0.33 0.00 0.00 0.00 175.10 175.31 1xsi n PHE 23 N 6.38 0.69 -3.70 5.22 7.35 0.97 -4.80 117.46 129.57 1xsi n PHE 23 Ca 0.17 0.25 -0.14 0.00 -0.76 0.00 0.00 57.45 56.97 1xsi n PHE 23 Cb 0.42 -1.08 -0.09 0.00 0.35 0.00 0.00 39.48 39.08 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 -2.45 0.68 -0.01 -4.13 2.12 -1.08 -5.00 118.70 108.83 1xsi s GLU 24 Ca -0.31 0.21 0.07 0.00 0.36 0.00 0.00 54.97 55.31 1xsi s GLU 24 Cb 0.09 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.77 1xsi s GLU 24 CO 0.60 -0.16 -0.24 0.08 -0.54 0.00 0.00 175.26 175.00 1xsi s VAL 25 N -0.68 2.26 -0.05 3.70 1.01 -1.26 -0.73 120.40 124.65 1xsi s VAL 25 Ca -0.08 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1xsi s VAL 25 Cb -0.03 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1xsi s VAL 25 CO 0.04 0.54 0.11 -0.70 0.00 0.00 0.00 175.10 175.09 1xsi s GLU 26 N -0.76 0.05 -0.21 2.72 2.12 -0.24 -5.00 118.70 117.38 1xsi s GLU 26 Ca 0.11 0.33 -0.26 0.00 0.36 0.00 0.00 54.97 55.51 1xsi s GLU 26 Cb -0.10 -0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.07 1xsi s GLU 26 CO -0.00 -0.18 0.87 -1.14 -0.54 0.00 0.00 175.26 174.27 1xsi s GLN 27 N 1.24 4.25 -0.56 4.30 0.74 -1.26 -0.90 119.66 127.47 1xsi s GLN 27 Ca -0.08 1.05 0.01 0.00 0.05 0.00 0.00 55.36 56.38 1xsi s GLN 27 Cb -0.12 -3.61 0.14 0.00 1.10 0.00 0.00 33.01 30.52 1xsi s GLN 27 CO -0.05 -0.45 0.33 -0.65 -0.55 0.00 0.00 175.29 173.92 1xsi s GLN 28 N 2.59 2.23 4.64 1.67 -0.21 0.09 -5.00 119.66 125.67 1xsi s GLN 28 Ca 0.38 -2.51 0.00 0.00 0.02 0.00 0.00 55.36 53.24 1xsi s GLN 28 Cb -0.16 -3.52 0.00 0.00 1.00 0.00 0.00 33.01 30.33 1xsi s GLN 28 CO 0.09 -1.13 0.00 -3.47 -2.12 0.00 0.00 175.29 168.66 1xsi n ASP 29 N 3.40 0.00 -2.07 5.90 4.64 -1.26 -1.93 116.55 125.22 1xsi n ASP 29 Ca 0.06 0.00 -0.19 0.00 -1.38 0.00 0.00 54.79 53.29 1xsi n ASP 29 Cb 0.36 0.00 0.21 0.00 -1.04 0.00 0.00 41.12 40.64 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 9.33 3.81 -4.00 1.67 6.94 -1.26 -4.91 115.26 126.84 1xsi n ASN 30 Ca 0.00 -3.56 -0.13 0.00 -0.02 0.00 0.00 54.58 50.88 1xsi n ASN 30 Cb 0.00 -0.80 -0.12 0.00 -2.36 0.00 0.00 39.78 36.50 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 -3.24 0.41 -0.15 -3.83 2.02 -0.81 -4.69 118.70 108.41 1xsi s GLU 31 Ca 0.55 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 55.02 1xsi s GLU 31 Cb 0.46 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.50 1xsi s GLU 31 CO 0.10 0.04 -0.18 1.41 0.02 0.00 0.00 175.26 176.65 1xsi s MET 32 N -1.11 3.14 -0.14 1.61 -2.45 -0.47 -0.73 119.30 119.14 1xsi s MET 32 Ca -0.08 -0.79 -0.02 0.00 -1.25 0.00 0.00 55.69 53.55 1xsi s MET 32 Cb -0.07 -2.56 -0.02 0.00 1.25 0.00 0.00 34.83 33.43 1xsi s MET 32 CO -0.00 -0.01 -0.08 0.08 1.05 0.00 0.00 175.02 176.07 1xsi s VAL 33 N 0.84 3.53 -0.13 10.11 1.01 -0.08 0.06 120.40 135.74 1xsi s VAL 33 Ca -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1xsi s VAL 33 Cb -0.15 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1xsi s VAL 33 CO -0.01 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.70 1xsi s VAL 34 N 0.34 2.29 -0.24 2.92 1.01 0.22 -1.08 120.40 125.87 1xsi s VAL 34 Ca -0.07 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 1xsi s VAL 34 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1xsi s VAL 34 CO 0.04 0.54 0.21 -0.31 0.00 0.00 0.00 175.10 175.59 1xsi s TYR 35 N 0.60 3.32 -0.07 5.22 2.02 0.09 0.14 117.35 128.67 1xsi s TYR 35 Ca -0.11 0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 1xsi s TYR 35 Cb -0.16 -2.34 0.01 0.00 -0.40 0.00 0.00 41.96 39.07 1xsi s TYR 35 CO 0.03 0.03 -0.13 0.00 -1.57 0.00 0.00 175.55 173.91 1xsi s ALA 36 N 1.18 1.36 0.20 3.71 0.00 -0.22 -0.02 121.76 127.98 1xsi s ALA 36 Ca 0.10 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1xsi s ALA 36 Cb -0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1xsi s ALA 36 CO 0.06 0.08 0.36 0.00 0.00 0.00 0.00 175.76 176.26 1xsi s ALA 37 N 0.72 3.89 -1.38 0.00 0.00 0.02 -0.64 121.76 124.39 1xsi s ALA 37 Ca -0.13 -1.00 0.13 0.00 0.00 0.00 0.00 51.96 50.96 1xsi s ALA 37 Cb -0.16 -1.87 0.50 0.00 0.00 0.00 0.00 23.12 21.59 1xsi s ALA 37 CO 0.03 0.39 1.37 -0.35 0.00 0.00 0.00 175.76 177.20 1xsi n PRO 38 N -0.88 2.81 -3.82 0.00 -0.04 -1.24 -0.59 135.00 131.24 1xsi n PRO 38 Ca -0.06 -1.98 -0.08 0.00 -0.04 0.00 0.00 63.50 61.34 1xsi n PRO 38 Cb 0.55 -1.66 0.01 0.00 -0.04 0.00 0.00 33.50 32.36 1xsi n PRO 38 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1xsi s ARG 39 N -1.69 2.04 -0.18 0.54 1.70 -1.26 -4.74 118.95 115.36 1xsi s ARG 39 Ca 0.36 -1.26 -0.29 0.00 -0.47 0.00 0.00 55.73 54.07 1xsi s ARG 39 Cb 0.22 0.61 -0.04 0.00 -0.57 0.00 0.00 34.95 35.17 1xsi s ARG 39 CO 0.18 -0.95 1.79 0.34 -1.08 0.00 0.00 175.30 175.58 1xsi s ASP 40 N -3.04 6.20 -0.21 -2.89 2.15 -1.26 -4.66 116.67 112.97 1xsi s ASP 40 Ca 0.14 1.83 0.13 0.00 0.43 0.00 0.00 52.55 55.08 1xsi s ASP 40 Cb -0.05 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.48 1xsi s ASP 40 CO 0.10 -1.37 1.19 1.33 -0.17 0.00 0.00 175.17 176.25 1xsi n VAL 41 N 6.55 1.92 0.07 1.11 0.24 -1.26 -4.75 118.33 122.22 1xsi n VAL 41 Ca 0.21 -3.22 -0.03 0.00 -2.04 0.00 0.00 64.34 59.26 1xsi n VAL 41 Cb 0.45 -0.21 0.22 0.00 -1.47 0.00 0.00 33.84 32.82 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 1.53 0.30 -6.03 7.34 3.08 -1.94 -3.44 114.38 115.22 1xsi h ARG 42 Ca 0.07 -0.14 -0.60 0.00 0.07 0.00 0.00 59.98 59.38 1xsi h ARG 42 Cb 1.32 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.32 1xsi h ARG 42 CO 0.27 0.64 -0.30 -1.21 -1.07 0.00 0.00 179.97 178.30 1xsi s GLU 43 N -4.22 3.68 0.50 0.04 2.02 -1.26 -4.99 118.70 114.47 1xsi s GLU 43 Ca -0.05 0.06 0.24 0.00 0.02 0.00 0.00 54.97 55.24 1xsi s GLU 43 Cb 0.13 -3.02 1.33 0.00 0.10 0.00 0.00 34.13 32.67 1xsi s GLU 43 CO 0.78 0.59 2.05 0.00 0.02 0.00 0.00 175.26 178.70 1xsi h ARG 44 N 3.76 0.00 0.00 1.61 3.08 -1.98 -2.23 114.38 118.63 1xsi h ARG 44 Ca -0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 1xsi h ARG 44 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1xsi h ARG 44 CO 0.67 0.14 -0.11 0.00 -1.07 0.00 0.00 179.97 179.60 1xsi h THR 45 N 0.00 0.31 -0.03 2.04 1.03 -1.95 -2.54 112.91 111.77 1xsi h THR 45 Ca -0.00 -0.73 0.00 0.00 -0.01 0.00 0.00 66.41 65.67 1xsi h THR 45 Cb 0.33 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 1xsi h THR 45 CO 0.02 0.11 -0.01 0.79 -0.01 0.00 0.00 175.52 176.42 1xsi n TRP 46 N -3.29 0.00 -1.07 0.00 7.02 -0.85 -4.56 117.44 114.69 1xsi n TRP 46 Ca -0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.32 1xsi n TRP 46 Cb 0.33 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.16 1xsi n TRP 46 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1xsi n GLN 47 N 1.13 1.94 -3.54 -0.99 6.02 -0.96 -4.79 117.38 116.19 1xsi n GLN 47 Ca 0.12 -1.41 -0.07 0.00 -0.01 0.00 0.00 57.00 55.63 1xsi n GLN 47 Cb 0.51 -1.82 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 1xsi n GLN 47 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1xsi s LEU 48 N -1.10 -0.29 -1.35 1.08 0.05 -1.26 -4.99 118.68 110.83 1xsi s LEU 48 Ca 0.47 -0.02 -0.03 0.00 0.05 0.00 0.00 54.13 54.60 1xsi s LEU 48 Cb 0.28 1.83 0.02 0.00 -2.05 0.00 0.00 46.19 46.27 1xsi s LEU 48 CO -0.08 -0.52 0.75 0.47 -0.55 0.00 0.00 176.35 176.43 1xsi n ASP 49 N -0.21 -1.88 -3.74 1.48 8.00 -1.26 -5.01 116.55 113.93 1xsi n ASP 49 Ca -0.06 -0.81 -0.14 0.00 0.71 0.00 0.00 54.79 54.49 1xsi n ASP 49 Cb 0.61 -4.03 -0.09 0.00 -0.02 0.00 0.00 41.12 37.58 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 -3.60 0.03 0.95 -3.53 -1.32 -1.26 -5.15 115.64 101.76 1xsi s THR 50 Ca 0.13 -0.28 -0.12 0.00 -1.21 0.00 0.00 61.69 60.21 1xsi s THR 50 Cb -0.06 -0.62 0.16 0.00 -1.51 0.00 0.00 72.50 70.47 1xsi s THR 50 CO 0.81 -0.15 1.11 -2.84 -2.21 0.00 0.00 174.62 171.34 1xsi s PRO 51 N -0.80 0.83 -0.19 7.08 0.02 -1.26 -5.08 135.00 135.60 1xsi s PRO 51 Ca -0.09 0.42 -0.11 0.00 0.02 0.00 0.00 61.00 61.24 1xsi s PRO 51 Cb -0.04 -1.79 0.06 0.00 0.02 0.00 0.00 34.50 32.75 1xsi s PRO 51 CO 0.03 -2.44 0.46 -1.17 -0.33 0.00 0.00 177.00 173.56 1xsi s LEU 52 N -6.23 -0.18 0.08 -5.54 0.20 -1.26 -4.24 118.68 101.51 1xsi s LEU 52 Ca 0.64 0.99 -0.06 0.00 0.69 0.00 0.00 54.13 56.39 1xsi s LEU 52 Cb -0.17 1.53 -0.05 0.00 -0.43 0.00 0.00 46.19 47.07 1xsi s LEU 52 CO 0.55 -0.20 0.33 -0.36 -0.29 0.00 0.00 176.35 176.39 1xsi s PHE 53 N 1.29 3.54 -0.28 5.38 0.40 0.19 -4.83 117.98 123.67 1xsi s PHE 53 Ca -0.08 0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 56.83 1xsi s PHE 53 Cb -0.07 -2.01 0.05 0.00 0.51 0.00 0.00 43.02 41.49 1xsi s PHE 53 CO -0.12 0.52 -0.04 0.99 0.70 0.00 0.00 175.22 177.27 1xsi s THR 54 N -1.47 2.75 -0.13 0.64 2.01 -0.97 -1.05 115.64 117.42 1xsi s THR 54 Ca 0.34 -1.35 -0.05 0.00 0.31 0.00 0.00 61.69 60.94 1xsi s THR 54 Cb -0.13 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1xsi s THR 54 CO 0.21 -0.01 0.07 -0.76 -0.69 0.00 0.00 174.62 173.44 1xsi s LEU 55 N 1.23 3.95 -0.10 4.42 1.02 0.12 -1.18 118.68 128.14 1xsi s LEU 55 Ca -0.05 0.25 -0.00 0.00 0.02 0.00 0.00 54.13 54.35 1xsi s LEU 55 Cb -0.19 -1.95 0.02 0.00 0.02 0.00 0.00 46.19 44.09 1xsi s LEU 55 CO -0.03 0.33 -0.07 -0.60 0.02 0.00 0.00 176.35 176.01 1xsi s ARG 56 N -0.58 1.39 -0.17 1.70 3.52 -0.27 0.70 118.95 125.25 1xsi s ARG 56 Ca 0.11 -0.21 -0.07 0.00 -0.13 0.00 0.00 55.73 55.43 1xsi s ARG 56 Cb -0.12 -1.48 -0.04 0.00 -1.56 0.00 0.00 34.95 31.75 1xsi s ARG 56 CO 0.02 -0.26 0.08 -0.06 -0.81 0.00 0.00 175.30 174.27 1xsi s PHE 57 N 1.69 3.31 0.27 5.12 0.08 0.11 -1.57 117.98 126.99 1xsi s PHE 57 Ca 0.04 0.18 -0.15 0.00 0.12 0.00 0.00 56.93 57.12 1xsi s PHE 57 Cb -0.13 -2.05 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 1xsi s PHE 57 CO -0.07 0.28 0.57 -0.59 -0.10 0.00 0.00 175.22 175.31 1xsi s PHE 58 N 0.07 0.19 -0.13 0.36 -0.71 -0.92 -1.37 117.98 115.47 1xsi s PHE 58 Ca 0.06 -0.59 -0.02 0.00 -1.04 0.00 0.00 56.93 55.34 1xsi s PHE 58 Cb -0.12 0.39 0.04 0.00 -1.21 0.00 0.00 43.02 42.12 1xsi s PHE 58 CO 0.00 -1.11 0.02 0.45 -1.34 0.00 0.00 175.22 173.24 1xsi s SER 59 N -3.00 2.25 0.34 1.98 0.15 -1.26 -0.46 113.70 113.70 1xsi s SER 59 Ca 0.19 -0.45 0.23 0.00 0.70 0.00 0.00 55.95 56.62 1xsi s SER 59 Cb -0.03 -0.52 0.33 0.00 -1.71 0.00 0.00 66.02 64.09 1xsi s SER 59 CO 0.09 -0.25 1.49 1.55 1.20 0.00 0.00 173.24 177.33 1xsi h PRO 60 N 8.29 0.00 -2.84 5.44 0.13 -1.81 -3.43 132.00 137.77 1xsi h PRO 60 Ca -0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.86 1xsi h PRO 60 Cb 1.12 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.08 1xsi h PRO 60 CO 0.30 0.00 -0.09 -0.65 -0.23 0.00 0.00 178.00 177.33 1xsi s GLN 61 N -3.23 0.88 0.05 0.86 -1.52 -1.26 -1.59 119.66 113.85 1xsi s GLN 61 Ca 0.06 -0.20 -0.37 0.00 -1.95 0.00 0.00 55.36 52.90 1xsi s GLN 61 Cb 0.07 0.40 -0.16 0.00 -0.22 0.00 0.00 33.01 33.10 1xsi s GLN 61 CO 0.69 -0.29 1.46 -1.91 -0.25 0.00 0.00 175.29 174.99 1xsi n GLU 62 N 0.77 1.37 -0.97 2.91 0.00 -1.26 -1.52 120.64 121.94 1xsi n GLU 62 Ca -0.19 0.50 0.00 0.00 0.00 0.00 0.00 57.16 57.46 1xsi n GLU 62 Cb 0.58 -2.17 0.00 0.00 0.00 0.00 0.00 31.44 29.85 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 2.97 0.58 3.28 8.31 0.00 -1.17 -4.91 105.19 114.25 1xsi n GLY 63 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.48 3.02 -0.31 -0.61 1.01 -0.58 -1.55 121.20 119.71 1xsi s ILE 64 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 1xsi s ILE 64 Cb 0.00 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.16 1xsi s ILE 64 CO 0.00 0.47 0.07 -0.69 0.00 0.00 0.00 174.94 174.79 1xsi s VAL 65 N 1.19 3.66 0.17 2.92 1.01 0.43 -4.19 120.40 125.58 1xsi s VAL 65 Ca 0.02 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.73 1xsi s VAL 65 Cb -0.14 -2.99 -0.08 0.00 0.00 0.00 0.00 36.38 33.16 1xsi s VAL 65 CO -0.03 -0.05 0.82 -0.83 0.00 0.00 0.00 175.10 175.01 1xsi s GLY 66 N 1.41 2.96 -0.12 4.51 0.00 0.39 -0.84 107.32 115.63 1xsi s GLY 66 Ca -0.01 0.42 -0.01 0.00 0.00 0.00 0.00 44.72 45.12 1xsi s GLY 66 CO 0.01 0.98 -0.02 0.14 0.00 0.00 0.00 173.10 174.22 1xsi s VAL 67 N -1.02 0.68 -0.17 1.40 1.01 0.16 -2.15 120.40 120.29 1xsi s VAL 67 Ca 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 1xsi s VAL 67 Cb -0.24 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 1xsi s VAL 67 CO 0.27 0.18 -0.13 -0.60 0.00 0.00 0.00 175.10 174.83 1xsi s ARG 68 N 1.84 3.24 -0.17 2.72 3.52 -0.61 -0.82 118.95 128.67 1xsi s ARG 68 Ca 0.03 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1xsi s ARG 68 Cb -0.14 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.56 1xsi s ARG 68 CO -0.07 -0.06 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.70 1xsi s ILE 69 N 1.02 1.85 0.11 4.11 2.07 0.87 -1.11 121.20 130.12 1xsi s ILE 69 Ca -0.01 -0.86 0.07 0.00 -1.41 0.00 0.00 60.65 58.44 1xsi s ILE 69 Cb -0.15 -1.73 -0.03 0.00 0.13 0.00 0.00 42.46 40.68 1xsi s ILE 69 CO -0.03 0.46 -0.18 -1.83 -1.91 0.00 0.00 174.94 171.45 1xsi s GLU 70 N 1.36 1.07 0.00 3.50 -1.05 -0.32 -1.37 118.70 121.89 1xsi s GLU 70 Ca 0.04 -1.16 0.00 0.00 -0.15 0.00 0.00 54.97 53.70 1xsi s GLU 70 Cb -0.13 -1.21 0.00 0.00 -0.44 0.00 0.00 34.13 32.34 1xsi s GLU 70 CO -0.11 0.27 0.00 1.58 0.95 0.00 0.00 175.26 177.95 1xsi n HIS 71 N 0.96 0.00 -2.95 4.83 -0.00 -0.29 -2.30 115.22 115.48 1xsi n HIS 71 Ca -0.19 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.13 1xsi n HIS 71 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.49 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 0.81 3.50 -0.87 1.57 0.08 -1.26 -4.85 117.98 116.97 1xsi s PHE 72 Ca 0.00 1.28 0.26 0.00 0.12 0.00 0.00 56.93 58.59 1xsi s PHE 72 Cb 0.00 -2.93 0.78 0.00 -0.57 0.00 0.00 43.02 40.30 1xsi s PHE 72 CO 0.00 -0.08 1.64 1.04 -0.10 0.00 0.00 175.22 177.72 1xsi n GLN 73 N 4.51 0.11 0.00 0.44 6.02 -1.26 -4.20 117.38 123.00 1xsi n GLN 73 Ca 0.02 0.06 0.10 0.00 -0.01 0.00 0.00 57.00 57.17 1xsi n GLN 73 Cb 0.50 -1.60 0.52 0.00 1.02 0.00 0.00 30.24 30.68 1xsi n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsi n GLY 74 N 1.43 -0.88 3.68 1.08 0.00 -1.26 -4.87 105.19 104.37 1xsi n GLY 74 Ca 0.06 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.46 1.55 0.09 4.61 0.00 -1.26 -4.97 121.76 119.32 1xsi s ALA 75 Ca 0.21 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 1xsi s ALA 75 Cb 0.13 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 1xsi s ALA 75 CO 0.29 -2.67 1.64 -0.07 0.00 0.00 0.00 175.76 174.95 1xsi h LEU 76 N -1.77 0.27 -3.48 0.00 3.38 -1.97 -3.47 115.31 108.27 1xsi h LEU 76 Ca -0.43 -0.16 -0.47 0.00 0.09 0.00 0.00 57.88 56.91 1xsi h LEU 76 Cb 1.27 -0.07 0.04 0.00 0.09 0.00 0.00 40.66 41.98 1xsi h LEU 76 CO 0.42 0.36 -0.93 0.59 0.09 0.00 0.00 178.44 178.97 1xsi n ASN 77 N -4.83 -5.06 -4.88 -0.43 5.03 -1.26 -4.99 115.26 98.84 1xsi n ASN 77 Ca -0.04 -1.04 -0.30 0.00 0.87 0.00 0.00 54.58 54.07 1xsi n ASN 77 Cb 0.12 -2.71 0.01 0.00 -1.02 0.00 0.00 39.78 36.18 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 -3.38 6.24 1.07 6.41 0.01 -1.26 -5.11 114.94 118.93 1xsi s ASN 78 Ca 0.38 1.30 -0.06 0.00 -0.71 0.00 0.00 52.86 53.77 1xsi s ASN 78 Cb -0.17 -2.42 0.09 0.00 0.41 0.00 0.00 41.25 39.17 1xsi s ASN 78 CO 0.90 -0.80 0.32 0.61 -1.51 0.00 0.00 177.10 176.62 1xsi n GLY 79 N -2.62 -2.55 3.83 0.66 0.00 -1.26 -4.65 105.19 98.60 1xsi n GLY 79 Ca 0.05 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.73 2.71 0.26 1.61 0.04 -1.26 -1.20 135.00 133.44 1xsi s PRO 80 Ca 0.21 0.72 0.10 0.00 0.04 0.00 0.00 61.00 62.07 1xsi s PRO 80 Cb -0.02 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1xsi s PRO 80 CO 0.16 -1.20 -0.02 -1.01 0.04 0.00 0.00 177.00 174.97 1xsi s HIS 81 N -3.16 2.67 0.60 0.56 3.76 -1.26 -4.85 115.29 113.61 1xsi s HIS 81 Ca 0.59 -0.23 -0.19 0.00 -0.15 0.00 0.00 55.06 55.08 1xsi s HIS 81 Cb -0.13 -1.18 -0.03 0.00 1.11 0.00 0.00 32.58 32.34 1xsi s HIS 81 CO 0.54 0.62 1.26 0.71 -0.85 0.00 0.00 174.74 177.02 1xsi s TYR 82 N -2.32 2.29 -1.51 1.40 2.02 -1.26 -4.91 117.35 113.07 1xsi s TYR 82 Ca 0.31 1.49 -0.11 0.00 -0.37 0.00 0.00 57.07 58.39 1xsi s TYR 82 Cb -0.06 -3.59 -0.06 0.00 -0.40 0.00 0.00 41.96 37.84 1xsi s TYR 82 CO 0.20 -2.52 2.71 -0.35 -1.57 0.00 0.00 175.55 174.02 1xsi n PRO 83 N -1.57 3.32 -2.57 -1.71 -0.04 -1.26 -4.95 135.00 126.23 1xsi n PRO 83 Ca 0.14 -2.20 -0.40 0.00 -0.04 0.00 0.00 63.50 60.99 1xsi n PRO 83 Cb 0.48 -2.87 -0.05 0.00 -0.04 0.00 0.00 33.50 31.02 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 0.61 4.59 -0.44 1.53 1.02 -1.26 -4.71 118.68 120.01 1xsi s LEU 84 Ca 0.62 2.16 -0.24 0.00 0.02 0.00 0.00 54.13 56.69 1xsi s LEU 84 Cb 0.16 -3.62 0.02 0.00 0.02 0.00 0.00 46.19 42.78 1xsi s LEU 84 CO -0.06 -0.04 0.82 0.20 0.02 0.00 0.00 176.35 177.29 1xsi s ASN 85 N -0.98 6.45 -0.19 2.29 0.01 0.44 -5.01 114.94 117.95 1xsi s ASN 85 Ca 0.43 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 1xsi s ASN 85 Cb -0.30 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 38.97 1xsi s ASN 85 CO 0.38 -0.93 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.23 1xsi s ILE 86 N 3.39 2.21 0.14 0.60 1.01 -1.26 -4.75 121.20 122.53 1xsi s ILE 86 Ca 0.32 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 1xsi s ILE 86 Cb -0.12 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1xsi s ILE 86 CO 0.23 0.52 0.35 -0.76 0.00 0.00 0.00 174.94 175.27 1xsi s LEU 87 N 1.31 4.28 -0.02 2.97 1.43 -0.62 -5.03 118.68 123.00 1xsi s LEU 87 Ca 0.05 0.48 0.21 0.00 -1.03 0.00 0.00 54.13 53.84 1xsi s LEU 87 Cb -0.13 -3.21 -0.29 0.00 0.03 0.00 0.00 46.19 42.59 1xsi s LEU 87 CO -0.12 0.05 0.60 0.00 0.23 0.00 0.00 176.35 177.11 1xsi n GLN 88 N -0.04 0.53 -0.64 1.70 1.13 -1.26 -4.53 117.38 114.28 1xsi n GLN 88 Ca -0.03 -0.12 0.06 0.00 -1.94 0.00 0.00 57.00 54.97 1xsi n GLN 88 Cb 0.52 -1.48 0.30 0.00 0.11 0.00 0.00 30.24 29.69 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 -1.96 4.41 -4.72 1.08 5.75 -1.26 -4.99 116.55 114.87 1xsi n ASP 89 Ca -0.01 -3.06 -0.42 0.00 -0.01 0.00 0.00 54.79 51.29 1xsi n ASP 89 Cb 0.46 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 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 -2.86 2.64 -0.02 2.12 1.01 -1.26 -4.93 120.40 117.10 1xsi s VAL 90 Ca 0.47 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 1xsi s VAL 90 Cb 0.38 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1xsi s VAL 90 CO 0.11 0.03 1.34 -0.75 0.00 0.00 0.00 175.10 175.83 1xsi s LYS 91 N 1.24 4.30 0.13 2.72 2.20 -1.26 -5.00 119.74 124.06 1xsi s LYS 91 Ca 0.70 1.87 -0.00 0.00 -0.36 0.00 0.00 55.97 58.18 1xsi s LYS 91 Cb -0.44 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 1xsi s LYS 91 CO 0.31 -0.55 0.02 0.14 -0.36 0.00 0.00 175.35 174.92 1xsi s VAL 92 N 2.41 0.30 -0.06 4.02 -7.23 -1.26 -4.51 120.40 114.06 1xsi s VAL 92 Ca 0.61 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.91 1xsi s VAL 92 Cb -0.29 -1.98 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 1xsi s VAL 92 CO 0.25 -0.56 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.38 1xsi s THR 93 N -3.90 1.74 -0.12 5.32 2.01 -0.27 -5.00 115.64 115.42 1xsi s THR 93 Ca 0.21 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1xsi s THR 93 Cb 0.07 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 71.10 1xsi s THR 93 CO 0.00 0.49 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.64 1xsi s ILE 94 N 0.13 1.59 -0.11 1.82 1.01 -1.26 -0.94 121.20 123.43 1xsi s ILE 94 Ca -0.09 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1xsi s ILE 94 Cb -0.14 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.87 1xsi s ILE 94 CO 0.05 0.46 -0.23 -0.70 0.00 0.00 0.00 174.94 174.52 1xsi s GLU 95 N 1.08 3.05 -0.39 2.79 2.12 -0.27 -5.01 118.70 122.08 1xsi s GLU 95 Ca -0.04 -0.86 0.03 0.00 0.36 0.00 0.00 54.97 54.46 1xsi s GLU 95 Cb -0.14 -2.36 0.11 0.00 0.26 0.00 0.00 34.13 32.00 1xsi s GLU 95 CO -0.04 0.11 0.13 1.21 -0.54 0.00 0.00 175.26 176.14 1xsi s ASN 96 N 0.50 4.39 0.14 -1.70 2.47 -1.26 -1.30 114.94 118.17 1xsi s ASN 96 Ca -0.15 -2.33 0.01 0.00 0.42 0.00 0.00 52.86 50.82 1xsi s ASN 96 Cb -0.17 -1.42 0.01 0.00 -1.45 0.00 0.00 41.25 38.22 1xsi s ASN 96 CO 0.05 -0.34 0.07 0.35 -3.72 0.00 0.00 177.10 173.51 1xsi n THR 97 N 4.00 0.00 0.08 -5.21 -2.24 0.15 -5.01 114.28 106.05 1xsi n THR 97 Ca 0.04 -0.57 -0.05 0.00 -2.27 0.00 0.00 64.05 61.20 1xsi n THR 97 Cb 0.39 -0.22 0.12 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.25 0.00 -0.78 4.81 -2.02 -3.33 114.58 113.51 1xsi h GLU 98 Ca -0.09 -0.17 -0.36 0.00 -0.13 0.00 0.00 59.36 58.60 1xsi h GLU 98 Cb 0.32 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 1xsi h GLU 98 CO 0.15 0.77 -2.37 -2.13 -0.73 0.00 0.00 179.01 174.70 1xsi n ARG 99 N -3.88 0.75 -3.95 1.92 0.63 -1.26 -4.78 116.66 106.09 1xsi n ARG 99 Ca -0.02 0.03 -0.09 0.00 -0.92 0.00 0.00 57.85 56.85 1xsi n ARG 99 Cb 0.61 -1.50 -0.10 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 -2.48 0.23 -0.08 -0.14 4.12 -1.25 -0.50 117.35 117.25 1xsi s TYR 100 Ca -0.16 -0.55 0.03 0.00 0.02 0.00 0.00 57.07 56.41 1xsi s TYR 100 Cb 0.07 -0.17 -0.02 0.00 -1.52 0.00 0.00 41.96 40.32 1xsi s TYR 100 CO 0.75 -0.34 -0.16 0.00 0.02 0.00 0.00 175.55 175.82 1xsi s ALA 101 N -2.51 2.55 -0.04 3.71 0.00 -0.20 -0.68 121.76 124.60 1xsi s ALA 101 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1xsi s ALA 101 Cb -0.02 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.14 1xsi s ALA 101 CO -0.04 0.43 -0.00 -2.00 0.00 0.00 0.00 175.76 174.15 1xsi s GLU 102 N -0.28 0.39 -0.20 0.00 2.12 -0.42 -0.06 118.70 120.25 1xsi s GLU 102 Ca 0.01 0.06 -0.03 0.00 0.36 0.00 0.00 54.97 55.38 1xsi s GLU 102 Cb -0.13 -0.57 -0.01 0.00 0.26 0.00 0.00 34.13 33.68 1xsi s GLU 102 CO 0.03 -0.15 -0.08 0.12 -0.54 0.00 0.00 175.26 174.64 1xsi s PHE 103 N 1.12 2.91 -0.06 5.30 5.36 0.81 -1.12 117.98 132.31 1xsi s PHE 103 Ca -0.08 -0.95 0.05 0.00 -0.96 0.00 0.00 56.93 54.99 1xsi s PHE 103 Cb -0.13 -2.03 -0.01 0.00 -0.34 0.00 0.00 43.02 40.51 1xsi s PHE 103 CO -0.02 -0.50 -0.21 0.21 -1.46 0.00 0.00 175.22 173.24 1xsi s LYS 104 N 1.21 2.26 -0.11 10.12 2.20 -0.12 0.38 119.74 135.69 1xsi s LYS 104 Ca 0.02 -0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 54.85 1xsi s LYS 104 Cb -0.14 -1.91 0.04 0.00 -1.51 0.00 0.00 37.83 34.31 1xsi s LYS 104 CO -0.03 0.29 0.01 0.45 -0.36 0.00 0.00 175.35 175.72 1xsi s SER 105 N -0.01 1.99 1.34 1.43 0.15 0.12 -1.12 113.70 117.60 1xsi s SER 105 Ca -0.06 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1xsi s SER 105 Cb -0.13 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1xsi s SER 105 CO 0.04 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1xsi n GLY 106 N 5.11 2.08 0.48 9.45 0.00 -1.26 -1.99 105.19 119.06 1xsi n GLY 106 Ca -0.08 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 5.09 1.50 -4.61 1.61 5.03 -1.26 -4.88 115.26 117.74 1xsi n ASN 107 Ca 0.00 -1.49 -0.35 0.00 0.87 0.00 0.00 54.58 53.61 1xsi n ASN 107 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.66 1xsi n ASN 107 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsi s LEU 108 N -2.01 3.75 0.09 3.41 2.96 -0.84 -0.31 118.68 125.73 1xsi s LEU 108 Ca 0.38 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 1xsi s LEU 108 Cb 0.21 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1xsi s LEU 108 CO 0.34 0.15 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.47 1xsi s SER 109 N 0.51 1.45 -0.22 3.68 1.04 0.37 0.11 113.70 120.64 1xsi s SER 109 Ca 0.03 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.63 1xsi s SER 109 Cb -0.13 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1xsi s SER 109 CO 0.01 -0.22 0.09 0.00 0.98 0.00 0.00 173.24 174.10 1xsi s ALA 110 N -2.10 3.35 -0.11 5.32 0.00 0.16 -0.47 121.76 127.91 1xsi s ALA 110 Ca 0.02 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1xsi s ALA 110 Cb -0.05 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 21.02 1xsi s ALA 110 CO 0.01 -0.16 -0.14 0.50 0.00 0.00 0.00 175.76 175.97 1xsi s ARG 111 N 1.01 2.05 -0.22 0.00 3.52 0.74 -0.14 118.95 125.92 1xsi s ARG 111 Ca 0.05 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 55.09 1xsi s ARG 111 Cb -0.14 -1.80 -0.03 0.00 -1.56 0.00 0.00 34.95 31.42 1xsi s ARG 111 CO 0.03 -0.10 0.02 0.08 -0.81 0.00 0.00 175.30 174.52 1xsi s VAL 112 N 1.11 4.08 -0.01 7.11 1.01 0.91 -0.05 120.40 134.56 1xsi s VAL 112 Ca -0.05 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1xsi s VAL 112 Cb -0.14 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1xsi s VAL 112 CO -0.03 0.40 0.98 -0.44 0.00 0.00 0.00 175.10 176.01 1xsi s SER 113 N 1.20 7.35 0.72 3.32 0.01 -0.52 -1.03 113.70 124.75 1xsi s SER 113 Ca 0.04 1.64 -0.08 0.00 1.31 0.00 0.00 55.95 58.86 1xsi s SER 113 Cb -0.14 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.58 1xsi s SER 113 CO 0.02 -0.28 1.05 -0.54 0.41 0.00 0.00 173.24 173.89 1xsi s LYS 114 N 1.13 2.18 1.58 12.44 1.02 0.35 -4.21 119.74 134.23 1xsi s LYS 114 Ca 0.51 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1xsi s LYS 114 Cb -0.21 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1xsi s LYS 114 CO 0.27 -1.29 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 1xsi n GLY 115 N -2.99 -1.62 0.21 -3.33 0.00 -1.26 -4.42 105.19 91.79 1xsi n GLY 115 Ca 0.08 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 -3.62 1.61 4.81 -1.92 -3.37 114.58 112.09 1xsi h GLU 116 Ca 0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1xsi h GLU 116 Cb 0.00 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.07 1xsi h GLU 116 CO 0.00 0.28 -0.04 -0.06 -0.73 0.00 0.00 179.01 178.46 1xsi s PHE 117 N -3.85 3.73 0.35 0.92 0.08 -1.26 -4.99 117.98 112.95 1xsi s PHE 117 Ca -0.01 -2.50 -0.29 0.00 0.12 0.00 0.00 56.93 54.26 1xsi s PHE 117 Cb 0.12 -3.52 -0.11 0.00 -0.57 0.00 0.00 43.02 38.94 1xsi s PHE 117 CO 0.66 -0.89 1.47 -0.46 -0.10 0.00 0.00 175.22 175.89 1xsi s TRP 118 N -0.35 2.73 -0.23 0.36 -0.11 -1.26 -4.67 118.94 115.41 1xsi s TRP 118 Ca 0.21 1.14 -0.20 0.00 1.22 0.00 0.00 56.10 58.47 1xsi s TRP 118 Cb -0.13 -3.95 0.06 0.00 -1.50 0.00 0.00 33.47 27.95 1xsi s TRP 118 CO -0.08 -2.85 0.61 0.45 -4.62 0.00 0.00 176.95 170.47 1xsi s SER 119 N -0.07 -0.67 -0.26 5.86 0.15 -1.26 -4.16 113.70 113.29 1xsi s SER 119 Ca 0.54 1.26 -0.02 0.00 0.70 0.00 0.00 55.95 58.43 1xsi s SER 119 Cb -0.45 1.25 0.03 0.00 -1.71 0.00 0.00 66.02 65.14 1xsi s SER 119 CO 0.57 -0.22 -0.05 -0.22 1.20 0.00 0.00 173.24 174.53 1xsi s LEU 120 N 0.53 3.31 -0.04 3.45 0.20 -0.82 -1.44 118.68 123.87 1xsi s LEU 120 Ca -0.02 -0.92 0.07 0.00 0.69 0.00 0.00 54.13 53.95 1xsi s LEU 120 Cb -0.05 -1.68 -0.02 0.00 -0.43 0.00 0.00 46.19 44.02 1xsi s LEU 120 CO -0.02 -0.15 -0.24 -1.81 -0.29 0.00 0.00 176.35 173.84 1xsi s ASP 121 N 1.32 3.17 -0.17 3.68 1.01 0.92 -0.49 116.67 126.11 1xsi s ASP 121 Ca -0.01 -0.45 -0.06 0.00 0.71 0.00 0.00 52.55 52.74 1xsi s ASP 121 Cb -0.17 -0.55 -0.04 0.00 1.01 0.00 0.00 42.92 43.17 1xsi s ASP 121 CO -0.04 0.30 0.02 -0.36 0.21 0.00 0.00 175.17 175.30 1xsi s PHE 122 N -0.48 3.16 -0.03 4.23 0.08 0.50 -0.18 117.98 125.25 1xsi s PHE 122 Ca 0.06 -0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.08 1xsi s PHE 122 Cb -0.11 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1xsi s PHE 122 CO 0.01 0.07 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.51 1xsi s LEU 123 N 0.38 1.98 -0.28 -0.37 1.43 0.37 -0.67 118.68 121.53 1xsi s LEU 123 Ca 0.00 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1xsi s LEU 123 Cb -0.13 -0.96 0.03 0.00 0.03 0.00 0.00 46.19 45.17 1xsi s LEU 123 CO 0.01 0.19 -0.01 -0.60 0.23 0.00 0.00 176.35 176.18 1xsi s ARG 124 N -0.22 2.70 -1.43 1.70 3.52 0.23 -0.48 118.95 124.97 1xsi s ARG 124 Ca 0.02 -1.08 -0.03 0.00 -0.13 0.00 0.00 55.73 54.51 1xsi s ARG 124 Cb -0.09 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.18 1xsi s ARG 124 CO 0.01 -0.51 0.55 0.09 -0.81 0.00 0.00 175.30 174.63 1xsi n ASN 125 N 4.69 -1.11 0.00 -2.12 3.02 0.58 -1.01 115.26 119.30 1xsi n ASN 125 Ca -0.15 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1xsi n ASN 125 Cb 0.46 -3.25 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 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 -1.83 0.46 3.73 7.41 0.00 -1.26 -5.00 105.19 108.70 1xsi n GLY 126 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.54 4.25 0.02 1.61 2.02 -0.18 -5.00 118.70 120.87 1xsi s GLU 127 Ca 0.00 0.07 -0.30 0.00 0.02 0.00 0.00 54.97 54.75 1xsi s GLU 127 Cb 0.00 -3.42 -0.06 0.00 0.10 0.00 0.00 34.13 30.74 1xsi s GLU 127 CO 0.00 0.24 1.45 0.50 0.02 0.00 0.00 175.26 177.47 1xsi s ARG 128 N 0.46 4.27 -0.05 1.61 3.52 -1.26 -0.60 118.95 126.89 1xsi s ARG 128 Ca 0.16 2.04 0.12 0.00 -0.13 0.00 0.00 55.73 57.91 1xsi s ARG 128 Cb -0.13 -3.55 -0.17 0.00 -1.56 0.00 0.00 34.95 29.53 1xsi s ARG 128 CO 0.03 -0.59 0.19 0.44 -0.81 0.00 0.00 175.30 174.56 1xsi n ILE 129 N 4.62 0.28 -3.92 4.11 -5.35 0.16 -4.93 119.36 114.34 1xsi n ILE 129 Ca 0.13 -0.36 -0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1xsi n ILE 129 Cb 0.43 -0.11 0.02 0.00 -1.74 0.00 0.00 39.64 38.24 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 -2.11 0.00 -2.04 7.28 5.66 -1.22 -4.89 114.28 116.96 1xsi n THR 130 Ca -0.08 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1xsi n THR 130 Cb 0.52 0.63 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 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 -0.73 -1.52 2.91 1.09 0.00 -1.26 -0.37 105.19 105.31 1xsi n GLY 131 Ca 0.01 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.40 2.21 0.56 1.61 0.15 0.36 -0.53 113.70 115.66 1xsi s SER 132 Ca 0.00 -0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.26 1xsi s SER 132 Cb 0.00 -0.86 -0.02 0.00 -1.71 0.00 0.00 66.02 63.42 1xsi s SER 132 CO 0.00 -0.11 0.90 -1.10 1.20 0.00 0.00 173.24 174.13 1xsi s GLN 133 N 1.68 3.35 0.19 5.44 -0.21 -1.26 -1.94 119.66 126.91 1xsi s GLN 133 Ca 0.05 0.31 -0.33 0.00 0.02 0.00 0.00 55.36 55.41 1xsi s GLN 133 Cb -0.13 -2.25 -0.14 0.00 1.00 0.00 0.00 33.01 31.49 1xsi s GLN 133 CO -0.08 -0.48 1.39 1.55 -2.12 0.00 0.00 175.29 175.54 1xsi n VAL 134 N -2.52 0.63 -0.92 1.09 3.14 -1.26 -1.04 118.33 117.45 1xsi n VAL 134 Ca 0.03 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1xsi n VAL 134 Cb 0.56 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 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 2.33 0.00 -0.30 1.45 5.02 -1.26 -4.89 118.16 120.51 1xsi n LYS 135 Ca 0.14 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1xsi n LYS 135 Cb 0.28 -2.50 0.27 0.00 -0.02 0.00 0.00 35.03 33.07 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 0.00 3.68 -3.88 4.39 3.02 -0.20 -4.90 115.26 117.36 1xsi n ASN 136 Ca 0.00 -1.99 -0.20 0.00 -0.03 0.00 0.00 54.58 52.36 1xsi n ASN 136 Cb 0.00 -0.39 -0.09 0.00 -0.61 0.00 0.00 39.78 38.69 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 -1.10 1.86 0.00 6.41 2.20 -1.26 -1.07 114.94 121.97 1xsi s ASN 137 Ca 0.43 -1.63 0.00 0.00 -0.94 0.00 0.00 52.86 50.72 1xsi s ASN 137 Cb 0.23 0.45 0.00 0.00 -2.00 0.00 0.00 41.25 39.93 1xsi s ASN 137 CO 0.30 -0.94 0.00 0.61 -2.94 0.00 0.00 177.10 174.14 1xsi n GLY 138 N -0.67 0.73 3.25 0.45 0.00 -0.80 -4.37 105.19 103.78 1xsi n GLY 138 Ca 0.01 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.96 2.35 -0.18 1.61 5.04 -0.28 -1.02 117.35 121.91 1xsi s TYR 139 Ca 0.00 -0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 53.92 1xsi s TYR 139 Cb 0.00 -1.55 0.01 0.00 0.35 0.00 0.00 41.96 40.77 1xsi s TYR 139 CO 0.00 -0.22 -0.15 0.08 -1.34 0.00 0.00 175.55 173.91 1xsi s VAL 140 N -0.11 2.53 -0.38 3.14 1.01 0.12 -2.05 120.40 124.65 1xsi s VAL 140 Ca -0.04 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 1xsi s VAL 140 Cb -0.14 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.23 1xsi s VAL 140 CO 0.04 0.51 0.18 -1.58 0.00 0.00 0.00 175.10 174.24 1xsi s GLN 141 N 1.14 2.52 -0.59 2.72 0.74 -0.10 0.04 119.66 126.13 1xsi s GLN 141 Ca 0.01 -1.39 -0.25 0.00 0.05 0.00 0.00 55.36 53.77 1xsi s GLN 141 Cb -0.14 -3.60 0.04 0.00 1.10 0.00 0.00 33.01 30.41 1xsi s GLN 141 CO -0.06 -0.84 1.04 0.34 -0.55 0.00 0.00 175.29 175.22 1xsi s ASP 142 N 1.76 6.33 0.31 6.67 -1.08 0.59 -1.29 116.67 129.96 1xsi s ASP 142 Ca 0.02 -0.31 0.26 0.00 -0.52 0.00 0.00 52.55 51.99 1xsi s ASP 142 Cb -0.21 -2.48 0.99 0.00 -1.46 0.00 0.00 42.92 39.76 1xsi s ASP 142 CO 0.01 -1.37 1.77 0.74 0.52 0.00 0.00 175.17 176.84 1xsi h THR 143 N 6.05 0.00 0.21 1.71 2.02 -0.81 0.73 112.91 122.82 1xsi h THR 143 Ca -0.26 -0.36 -0.30 0.00 0.77 0.00 0.00 66.41 66.26 1xsi h THR 143 Cb 1.07 1.20 0.03 0.00 -1.74 0.00 0.00 68.15 68.70 1xsi h THR 143 CO 1.14 0.00 -1.36 0.78 0.37 0.00 0.00 175.52 176.45 1xsi h ASN 144 N 0.00 0.71 -0.01 4.18 2.35 -1.89 -3.38 115.58 117.53 1xsi h ASN 144 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 1xsi h ASN 144 Cb 0.49 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1xsi h ASN 144 CO 0.00 1.65 0.00 -0.46 -1.65 0.00 0.00 177.43 176.97 1xsi n ASN 145 N -3.81 1.58 -1.46 5.81 0.23 -1.19 -5.00 115.26 111.42 1xsi n ASN 145 Ca -0.18 -1.53 -0.19 0.00 -0.53 0.00 0.00 54.58 52.16 1xsi n ASN 145 Cb 1.02 -0.01 -0.08 0.00 -2.08 0.00 0.00 39.78 38.64 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 -0.20 -1.31 -3.60 -3.83 1.13 0.24 -5.00 117.38 104.80 1xsi n GLN 146 Ca 0.01 1.16 -0.32 0.00 -1.94 0.00 0.00 57.00 55.91 1xsi n GLN 146 Cb 0.14 -5.46 -0.05 0.00 0.11 0.00 0.00 30.24 24.98 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 -3.62 3.68 -0.00 -1.09 0.52 -1.20 -4.93 118.95 112.30 1xsi s ARG 147 Ca 0.00 0.02 0.07 0.00 -0.52 0.00 0.00 55.73 55.30 1xsi s ARG 147 Cb 0.00 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 1xsi s ARG 147 CO 0.00 0.44 -0.22 -0.80 0.02 0.00 0.00 175.30 174.74 1xsi s ASN 148 N -2.35 2.58 0.12 0.23 0.01 -1.26 -0.30 114.94 113.97 1xsi s ASN 148 Ca 0.42 -0.43 0.03 0.00 -0.71 0.00 0.00 52.86 52.17 1xsi s ASN 148 Cb -0.12 -0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.23 1xsi s ASN 148 CO 0.23 0.25 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.68 1xsi s TYR 149 N -0.58 1.04 0.07 2.20 2.02 0.11 -2.76 117.35 119.44 1xsi s TYR 149 Ca 0.08 -0.85 0.09 0.00 -0.37 0.00 0.00 57.07 56.03 1xsi s TYR 149 Cb -0.09 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.87 1xsi s TYR 149 CO -0.00 -0.05 -0.25 -1.64 -1.57 0.00 0.00 175.55 172.04 1xsi s MET 150 N -3.78 1.74 0.15 -0.62 -1.94 -0.66 0.14 119.30 114.32 1xsi s MET 150 Ca 0.14 -1.16 -0.08 0.00 -1.71 0.00 0.00 55.69 52.88 1xsi s MET 150 Cb 0.04 -2.00 -0.01 0.00 2.01 0.00 0.00 34.83 34.86 1xsi s MET 150 CO -0.03 0.50 0.24 -0.59 -0.01 0.00 0.00 175.02 175.14 1xsi s PHE 151 N -0.92 0.42 0.03 -0.03 -0.71 -0.19 -1.78 117.98 114.79 1xsi s PHE 151 Ca 0.13 -0.79 -0.10 0.00 -1.04 0.00 0.00 56.93 55.13 1xsi s PHE 151 Cb -0.10 -0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.61 1xsi s PHE 151 CO 0.04 -0.67 0.21 -2.00 -1.34 0.00 0.00 175.22 171.46 1xsi s GLU 152 N -3.96 0.67 -0.07 1.99 2.56 -0.58 -1.90 118.70 117.40 1xsi s GLU 152 Ca 0.16 -0.53 -0.01 0.00 0.00 0.00 0.00 54.97 54.59 1xsi s GLU 152 Cb 0.04 0.28 0.03 0.00 2.00 0.00 0.00 34.13 36.48 1xsi s GLU 152 CO -0.01 -0.19 -0.00 1.03 -0.56 0.00 0.00 175.26 175.52 1xsi s ARG 153 N -2.22 0.65 -0.21 4.30 0.52 -0.24 -0.84 118.95 120.92 1xsi s ARG 153 Ca -0.08 0.08 -0.09 0.00 -0.52 0.00 0.00 55.73 55.12 1xsi s ARG 153 Cb -0.03 -0.96 -0.05 0.00 0.52 0.00 0.00 34.95 34.43 1xsi s ARG 153 CO -0.02 -0.28 0.11 -0.51 0.02 0.00 0.00 175.30 174.62 1xsi s LEU 154 N 1.84 4.01 0.64 2.53 1.43 -0.46 -4.37 118.68 124.32 1xsi s LEU 154 Ca 0.03 0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 1xsi s LEU 154 Cb -0.12 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1xsi s LEU 154 CO -0.05 0.14 1.24 0.47 0.23 0.00 0.00 176.35 178.39 1xsi n ASP 155 N 3.77 1.87 -4.40 2.29 8.00 0.31 -1.18 116.55 127.21 1xsi n ASP 155 Ca -0.16 0.82 -0.33 0.00 0.71 0.00 0.00 54.79 55.83 1xsi n ASP 155 Cb 0.52 -1.53 -0.14 0.00 -0.02 0.00 0.00 41.12 39.95 1xsi n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xsi s LEU 156 N -4.01 2.77 0.81 0.64 1.43 0.95 -4.65 118.68 116.62 1xsi s LEU 156 Ca 0.82 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.52 1xsi s LEU 156 Cb -0.38 -1.62 0.10 0.00 0.03 0.00 0.00 46.19 44.31 1xsi s LEU 156 CO 0.41 0.19 1.16 -0.83 0.23 0.00 0.00 176.35 177.51 1xsi s GLY 157 N 0.18 1.66 0.23 -3.19 0.00 -1.26 -4.77 107.32 100.17 1xsi s GLY 157 Ca -0.07 -0.86 -0.32 0.00 0.00 0.00 0.00 44.72 43.47 1xsi s GLY 157 CO 0.05 -0.34 1.66 -0.62 0.00 0.00 0.00 173.10 173.85 1xsi n VAL 158 N -3.28 0.31 -1.05 1.40 0.31 -1.26 -1.31 118.33 113.45 1xsi n VAL 158 Ca 0.10 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.33 1xsi n VAL 158 Cb 0.61 -1.90 -0.01 0.00 -0.91 0.00 0.00 33.84 31.63 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 3.35 0.33 3.66 2.92 0.00 -1.26 -5.00 105.19 109.19 1xsi n GLY 159 Ca 0.14 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.50 4.28 0.10 1.61 2.12 -0.42 -4.96 118.70 119.93 1xsi s GLU 160 Ca 0.00 1.28 0.06 0.00 0.36 0.00 0.00 54.97 56.67 1xsi s GLU 160 Cb 0.00 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1xsi s GLU 160 CO 0.00 -0.53 -0.04 0.95 -0.54 0.00 0.00 175.26 175.11 1xsi s THR 161 N 2.83 3.75 0.02 -1.70 -4.23 -1.26 -4.82 115.64 110.22 1xsi s THR 161 Ca 0.43 -1.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1xsi s THR 161 Cb -0.16 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 1xsi s THR 161 CO 0.09 0.09 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.50 1xsi s VAL 162 N -1.32 3.59 0.09 2.29 1.01 -1.26 -2.17 120.40 122.62 1xsi s VAL 162 Ca 0.24 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1xsi s VAL 162 Cb -0.11 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1xsi s VAL 162 CO 0.17 0.36 0.03 -0.31 0.00 0.00 0.00 175.10 175.34 1xsi s TYR 163 N -1.02 0.62 0.00 5.22 2.02 0.03 -0.68 117.35 123.53 1xsi s TYR 163 Ca 0.18 -1.09 0.00 0.00 -0.37 0.00 0.00 57.07 55.78 1xsi s TYR 163 Cb -0.11 -0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.06 1xsi s TYR 163 CO 0.08 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.02 1xsi n GLY 164 N 0.01 1.08 2.27 0.71 0.00 -1.26 -2.26 105.19 105.74 1xsi n GLY 164 Ca -0.11 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.05 0.00 0.99 4.77 0.06 -4.78 117.00 116.99 1xsi n LEU 165 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1xsi n LEU 165 Cb 0.00 -1.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.37 1xsi n LEU 165 CO 0.00 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 1xsi n GLY 166 N -1.42 -1.76 3.52 -0.72 0.00 -1.23 -3.31 105.19 100.25 1xsi n GLY 166 Ca -0.11 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.09 3.32 0.23 1.61 2.12 -0.46 -3.66 118.70 121.76 1xsi s GLU 167 Ca 0.00 -0.78 0.09 0.00 0.36 0.00 0.00 54.97 54.64 1xsi s GLU 167 Cb 0.00 -4.57 -0.04 0.00 0.26 0.00 0.00 34.13 29.78 1xsi s GLU 167 CO 0.00 -2.04 -0.05 1.03 -0.54 0.00 0.00 175.26 173.67 1xsi s ARG 168 N 4.77 2.19 0.00 4.30 0.52 -1.26 -4.58 118.95 124.90 1xsi s ARG 168 Ca 0.34 -1.35 0.03 0.00 -0.52 0.00 0.00 55.73 54.23 1xsi s ARG 168 Cb -0.08 -2.16 0.02 0.00 0.52 0.00 0.00 34.95 33.25 1xsi s ARG 168 CO 0.05 0.40 0.55 1.19 0.02 0.00 0.00 175.30 177.51 1xsi n PHE 169 N -0.48 0.00 -0.96 -0.53 3.72 -1.26 -3.16 117.46 114.79 1xsi n PHE 169 Ca -0.08 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.04 1xsi n PHE 169 Cb 0.57 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.35 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 0.07 0.00 -1.62 4.37 -2.24 -1.26 -4.83 114.28 108.77 1xsi n THR 170 Ca 0.01 -0.42 -0.39 0.00 -2.27 0.00 0.00 64.05 60.99 1xsi n THR 170 Cb 0.06 -1.20 0.04 0.00 -2.10 0.00 0.00 70.33 67.13 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 -4.78 0.25 0.15 6.98 0.00 -1.26 -4.89 120.51 116.96 1xsi n ALA 171 Ca -0.19 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1xsi n ALA 171 Cb 0.54 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.81 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 0.90 -0.38 -9.36 0.00 5.85 -1.93 -3.39 115.31 107.00 1xsi h LEU 172 Ca -0.47 0.03 -0.55 0.00 0.84 0.00 0.00 57.88 57.73 1xsi h LEU 172 Cb 1.35 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 1xsi h LEU 172 CO 0.53 -0.24 0.55 -0.69 -0.34 0.00 0.00 178.44 178.25 1xsi s VAL 173 N -6.13 4.53 -0.83 1.05 1.01 -1.26 -4.61 120.40 114.16 1xsi s VAL 173 Ca -0.15 1.82 0.26 0.00 0.00 0.00 0.00 61.98 63.91 1xsi s VAL 173 Cb 0.06 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.39 1xsi s VAL 173 CO 0.65 0.07 1.56 0.54 0.00 0.00 0.00 175.10 177.92 1xsi n ARG 174 N 4.56 0.14 -1.66 2.72 5.12 0.14 -4.86 116.66 122.82 1xsi n ARG 174 Ca 0.09 0.07 -0.53 0.00 -1.93 0.00 0.00 57.85 55.55 1xsi n ARG 174 Cb 0.48 -1.62 -0.06 0.00 -1.16 0.00 0.00 32.46 30.11 1xsi n ARG 174 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xsi n ASN 175 N -1.84 2.47 0.00 0.55 4.13 -1.26 -1.23 115.26 118.08 1xsi n ASN 175 Ca 0.05 1.07 0.00 0.00 1.68 0.00 0.00 54.58 57.38 1xsi n ASN 175 Cb 0.39 -1.24 0.00 0.00 -1.54 0.00 0.00 39.78 37.39 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 3.63 2.65 3.91 7.41 0.00 0.58 -5.00 105.19 118.36 1xsi n GLY 176 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1xsi n GLY 176 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xsi s GLN 177 N -0.41 3.40 0.01 1.61 -0.21 -0.36 -4.53 119.66 119.17 1xsi s GLN 177 Ca 0.00 -0.45 -0.19 0.00 0.02 0.00 0.00 55.36 54.74 1xsi s GLN 177 Cb 0.00 -3.02 -0.06 0.00 1.00 0.00 0.00 33.01 30.93 1xsi s GLN 177 CO 0.00 0.61 0.55 -0.08 -2.12 0.00 0.00 175.29 174.25 1xsi s THR 178 N -1.49 4.89 -0.05 -0.19 -1.32 -1.26 -1.12 115.64 115.09 1xsi s THR 178 Ca 0.34 1.15 0.03 0.00 -1.21 0.00 0.00 61.69 62.00 1xsi s THR 178 Cb -0.13 -3.88 0.01 0.00 -1.51 0.00 0.00 72.50 66.99 1xsi s THR 178 CO 0.27 0.48 -0.12 0.68 -2.21 0.00 0.00 174.62 173.72 1xsi s VAL 179 N -0.58 1.07 -0.23 5.08 -7.23 -0.16 -5.00 120.40 113.36 1xsi s VAL 179 Ca 0.29 -0.47 -0.06 0.00 -1.81 0.00 0.00 61.98 59.92 1xsi s VAL 179 Cb -0.18 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 1xsi s VAL 179 CO 0.17 0.33 0.04 -1.61 -0.31 0.00 0.00 175.10 173.72 1xsi s GLU 180 N 0.47 3.64 -1.12 4.82 0.41 -1.26 -0.31 118.70 125.35 1xsi s GLU 180 Ca -0.10 -0.49 -0.19 0.00 -0.41 0.00 0.00 54.97 53.78 1xsi s GLU 180 Cb -0.13 -3.23 0.10 0.00 -1.78 0.00 0.00 34.13 29.09 1xsi s GLU 180 CO 0.03 -0.11 1.45 0.95 -0.49 0.00 0.00 175.26 177.09 1xsi s THR 181 N 1.36 4.39 -0.21 3.63 -4.23 -0.36 -4.86 115.64 115.36 1xsi s THR 181 Ca 0.05 -1.65 -0.05 0.00 -1.18 0.00 0.00 61.69 58.86 1xsi s THR 181 Cb -0.15 -5.00 0.11 0.00 1.34 0.00 0.00 72.50 68.80 1xsi s THR 181 CO 0.02 -1.80 0.37 0.86 -0.54 0.00 0.00 174.62 173.53 1xsi s TRP 182 N 3.54 -0.74 0.27 3.99 -0.11 -1.26 -4.10 118.94 120.54 1xsi s TRP 182 Ca 0.44 1.07 -0.30 0.00 1.22 0.00 0.00 56.10 58.54 1xsi s TRP 182 Cb -0.01 0.10 -0.10 0.00 -1.50 0.00 0.00 33.47 31.96 1xsi s TRP 182 CO -0.03 -0.58 1.47 -0.80 -4.62 0.00 0.00 176.95 172.39 1xsi s ASN 183 N 2.54 6.57 0.06 5.86 0.01 -1.26 -4.66 114.94 124.05 1xsi s ASN 183 Ca 0.06 2.77 -0.07 0.00 -0.71 0.00 0.00 52.86 54.90 1xsi s ASN 183 Cb -0.14 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 38.89 1xsi s ASN 183 CO -0.14 -0.75 0.14 -0.13 -1.51 0.00 0.00 177.10 174.71 1xsi s ARG 184 N -0.63 0.70 -0.95 -0.60 0.52 -0.90 -4.64 118.95 112.45 1xsi s ARG 184 Ca 0.59 -0.82 -0.12 0.00 -0.52 0.00 0.00 55.73 54.86 1xsi s ARG 184 Cb -0.43 0.28 0.24 0.00 0.52 0.00 0.00 34.95 35.56 1xsi s ARG 184 CO 0.46 -0.20 0.91 0.34 0.02 0.00 0.00 175.30 176.84 1xsi s ASP 185 N -2.42 6.98 -0.01 0.23 -1.08 -1.26 -3.52 116.67 115.59 1xsi s ASP 185 Ca -0.01 -3.09 0.01 0.00 -0.52 0.00 0.00 52.55 48.94 1xsi s ASP 185 Cb 0.02 -2.20 0.02 0.00 -1.46 0.00 0.00 42.92 39.29 1xsi s ASP 185 CO -0.07 -0.44 1.00 0.61 0.52 0.00 0.00 175.17 176.79 1xsi n GLY 186 N 3.41 3.00 7.00 2.66 0.00 -1.26 -5.11 105.19 114.89 1xsi n GLY 186 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.54 -1.28 0.61 -0.02 0.00 -1.26 -4.40 105.19 98.29 1xsi n GLY 187 Ca 0.01 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.09 2.12 -0.05 2.61 -2.24 -1.24 -4.66 114.28 110.73 1xsi n THR 188 Ca 0.00 -1.98 0.00 0.00 -2.27 0.00 0.00 64.05 59.80 1xsi n THR 188 Cb 0.00 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.80 1.40 -3.58 3.42 7.64 -1.26 -4.79 113.62 115.65 1xsi n SER 189 Ca 0.19 -1.45 -0.21 0.00 1.01 0.00 0.00 58.87 58.41 1xsi n SER 189 Cb 0.79 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.94 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 -0.22 0.00 0.71 0.44 -2.24 -1.26 -5.02 114.28 106.68 1xsi n THR 190 Ca 0.00 -1.79 0.09 0.00 -2.27 0.00 0.00 64.05 60.08 1xsi n THR 190 Cb 0.13 0.52 0.41 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.80 0.10 -2.51 -0.78 0.00 -1.26 -4.40 120.64 110.99 1xsi n GLU 191 Ca -0.09 0.16 -0.31 0.00 0.00 0.00 0.00 57.16 56.92 1xsi n GLU 191 Cb 0.47 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.38 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 -2.85 3.82 0.00 3.44 -0.21 -1.26 -4.90 119.66 117.71 1xsi s GLN 192 Ca 0.12 0.71 0.00 0.00 0.02 0.00 0.00 55.36 56.21 1xsi s GLN 192 Cb 0.12 -2.23 -0.00 0.00 1.00 0.00 0.00 33.01 31.89 1xsi s GLN 192 CO 0.31 -0.22 -0.01 0.00 -2.12 0.00 0.00 175.29 173.25 1xsi s ALA 193 N -2.61 0.07 0.04 6.09 0.00 -1.26 -4.71 121.76 119.37 1xsi s ALA 193 Ca 0.55 -0.10 0.24 0.00 0.00 0.00 0.00 51.96 52.64 1xsi s ALA 193 Cb -0.10 0.01 0.79 0.00 0.00 0.00 0.00 23.12 23.82 1xsi s ALA 193 CO 0.35 -0.01 1.77 1.88 0.00 0.00 0.00 175.76 179.75 1xsi h TYR 194 N 5.94 0.00 -3.27 0.00 0.05 -1.81 -2.39 116.97 115.49 1xsi h TYR 194 Ca -0.25 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 57.90 1xsi h TYR 194 Cb 1.21 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.54 1xsi h TYR 194 CO 0.44 0.22 -0.69 0.15 -1.05 0.00 0.00 178.16 177.24 1xsi s LYS 195 N -3.52 1.60 -0.07 4.88 1.02 -1.26 -3.37 119.74 119.02 1xsi s LYS 195 Ca 0.02 -2.23 -0.04 0.00 0.02 0.00 0.00 55.97 53.73 1xsi s LYS 195 Cb 0.09 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1xsi s LYS 195 CO 0.65 -1.10 0.13 -0.80 -0.92 0.00 0.00 175.35 173.30 1xsi s ASN 196 N 0.19 6.16 -0.17 2.83 0.01 -1.24 -1.35 114.94 121.36 1xsi s ASN 196 Ca 0.16 0.36 -0.05 0.00 -0.71 0.00 0.00 52.86 52.62 1xsi s ASN 196 Cb -0.24 -1.92 0.08 0.00 0.41 0.00 0.00 41.25 39.58 1xsi s ASN 196 CO -0.02 0.35 0.33 -0.63 -1.51 0.00 0.00 177.10 175.61 1xsi s ILE 197 N -1.11 -0.51 -0.23 0.60 -1.09 -1.21 -4.41 121.20 113.24 1xsi s ILE 197 Ca 0.19 0.17 -0.06 0.00 -2.23 0.00 0.00 60.65 58.71 1xsi s ILE 197 Cb -0.12 -0.58 -0.23 0.00 -1.58 0.00 0.00 42.46 39.95 1xsi s ILE 197 CO 0.09 0.05 3.35 -0.81 -1.23 0.00 0.00 174.94 176.38 1xsi n PRO 198 N 5.36 2.12 -4.53 2.79 -0.04 -1.26 -3.57 135.00 135.86 1xsi n PRO 198 Ca -0.06 -1.11 -0.23 0.00 -0.04 0.00 0.00 63.50 62.05 1xsi n PRO 198 Cb 0.50 -2.09 -0.16 0.00 -0.04 0.00 0.00 33.50 31.71 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 1.30 1.29 0.19 0.54 5.36 -1.26 -0.20 117.98 125.21 1xsi s PHE 199 Ca 0.63 -0.41 0.04 0.00 -0.96 0.00 0.00 56.93 56.24 1xsi s PHE 199 Cb 0.28 -0.93 -0.05 0.00 -0.34 0.00 0.00 43.02 41.98 1xsi s PHE 199 CO -0.01 -0.20 -0.05 1.52 -1.46 0.00 0.00 175.22 175.02 1xsi s TYR 200 N 0.45 1.44 0.11 10.12 -0.85 -0.62 -0.76 117.35 127.24 1xsi s TYR 200 Ca -0.09 -0.84 -0.01 0.00 -0.52 0.00 0.00 57.07 55.61 1xsi s TYR 200 Cb -0.13 -0.79 -0.04 0.00 0.38 0.00 0.00 41.96 41.38 1xsi s TYR 200 CO 0.02 0.03 0.03 0.00 -1.52 0.00 0.00 175.55 174.12 1xsi s MET 201 N -3.80 0.86 0.37 -3.49 0.23 -0.96 -0.32 119.30 112.19 1xsi s MET 201 Ca 0.23 -1.39 0.04 0.00 -1.03 0.00 0.00 55.69 53.54 1xsi s MET 201 Cb 0.04 0.21 -0.06 0.00 -1.53 0.00 0.00 34.83 33.49 1xsi s MET 201 CO 0.05 -0.22 0.05 0.95 -2.03 0.00 0.00 175.02 173.82 1xsi s THR 202 N -4.00 1.36 -1.92 3.16 -4.23 -0.78 -0.79 115.64 108.44 1xsi s THR 202 Ca 0.20 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1xsi s THR 202 Cb 0.08 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.18 1xsi s THR 202 CO -0.01 0.00 0.99 -0.46 -0.54 0.00 0.00 174.62 174.60 1xsi n ASN 203 N -0.87 0.24 -1.22 3.99 6.94 -0.92 -2.94 115.26 120.47 1xsi n ASN 203 Ca -0.05 -2.00 0.11 0.00 -0.02 0.00 0.00 54.58 52.62 1xsi n ASN 203 Cb 0.67 -0.06 0.27 0.00 -2.36 0.00 0.00 39.78 38.30 1xsi n ASN 203 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xsi n ARG 204 N -0.38 2.65 -1.55 -3.83 5.12 -1.26 -4.98 116.66 112.43 1xsi n ARG 204 Ca 0.01 -2.49 0.00 0.00 -1.93 0.00 0.00 57.85 53.44 1xsi n ARG 204 Cb 0.04 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 1xsi n ARG 204 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xsi n GLY 205 N 1.49 0.81 3.21 -0.13 0.00 -1.15 -4.95 105.19 104.46 1xsi n GLY 205 Ca 0.22 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.11 0.39 0.20 1.61 -0.85 -1.26 -0.52 117.35 114.80 1xsi s TYR 206 Ca 0.00 -0.82 0.00 0.00 -0.52 0.00 0.00 57.07 55.73 1xsi s TYR 206 Cb 0.00 -0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1xsi s TYR 206 CO 0.00 -0.55 0.09 0.20 -1.52 0.00 0.00 175.55 173.76 1xsi s GLY 207 N -2.93 1.41 -0.10 5.49 0.00 0.75 -1.86 107.32 110.08 1xsi s GLY 207 Ca 0.11 -1.69 -0.05 0.00 0.00 0.00 0.00 44.72 43.09 1xsi s GLY 207 CO -0.06 -1.47 0.24 0.54 0.00 0.00 0.00 173.10 172.35 1xsi s VAL 208 N -3.94 -0.04 -0.21 1.40 0.11 0.56 -0.51 120.40 117.77 1xsi s VAL 208 Ca 0.33 0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 59.47 1xsi s VAL 208 Cb 0.07 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1xsi s VAL 208 CO 0.09 0.06 0.04 -0.22 -3.33 0.00 0.00 175.10 171.74 1xsi s LEU 209 N 1.24 3.44 -0.33 2.54 2.96 -0.65 -1.59 118.68 126.30 1xsi s LEU 209 Ca -0.09 -0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 53.53 1xsi s LEU 209 Cb -0.10 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 1xsi s LEU 209 CO -0.08 0.06 0.37 -0.69 -1.32 0.00 0.00 176.35 174.69 1xsi s VAL 210 N 1.03 5.16 -1.45 1.68 1.01 0.72 -0.72 120.40 127.83 1xsi s VAL 210 Ca 0.03 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1xsi s VAL 210 Cb -0.14 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.47 1xsi s VAL 210 CO 0.02 -0.04 2.60 -3.20 0.00 0.00 0.00 175.10 174.48 1xsi n ASN 211 N 5.40 8.02 -3.60 3.32 5.15 0.44 -4.77 115.26 129.22 1xsi n ASN 211 Ca -0.09 -2.89 -0.19 0.00 -0.60 0.00 0.00 54.58 50.81 1xsi n ASN 211 Cb 0.50 -1.46 -0.15 0.00 -0.53 0.00 0.00 39.78 38.13 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 0.50 -0.11 -0.20 1.20 3.76 -1.26 -4.76 115.29 114.42 1xsi s HIS 212 Ca 0.60 0.28 0.27 0.00 -0.15 0.00 0.00 55.06 56.06 1xsi s HIS 212 Cb 0.18 -0.40 0.75 0.00 1.11 0.00 0.00 32.58 34.22 1xsi s HIS 212 CO -0.07 -0.41 1.76 -1.35 -0.85 0.00 0.00 174.74 173.81 1xsi h PRO 213 N 8.37 0.00 0.00 8.40 0.11 -1.88 -3.43 132.00 143.56 1xsi h PRO 213 Ca -0.15 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.78 1xsi h PRO 213 Cb 1.13 0.00 0.10 0.00 0.11 0.00 0.00 31.00 32.34 1xsi h PRO 213 CO 0.21 0.03 -0.01 0.00 -0.21 0.00 0.00 178.00 178.02 1xsi n GLN 214 N -3.11 -2.70 -2.02 1.05 0.00 -1.26 -4.39 117.38 104.95 1xsi n GLN 214 Ca 0.02 -0.79 -0.42 0.00 0.00 0.00 0.00 57.00 55.81 1xsi n GLN 214 Cb 0.45 -0.86 -0.03 0.00 0.00 0.00 0.00 30.24 29.80 1xsi n GLN 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsi s VAL 216 N 3.31 4.75 -0.39 0.00 1.01 -1.26 -4.59 120.40 123.24 1xsi s VAL 216 Ca 0.72 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 1xsi s VAL 216 Cb -0.35 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1xsi s VAL 216 CO 0.30 0.50 0.20 -0.55 0.00 0.00 0.00 175.10 175.55 1xsi s SER 217 N 0.03 5.58 -0.16 3.32 0.15 -0.72 -1.22 113.70 120.68 1xsi s SER 217 Ca 0.05 -1.28 -0.11 0.00 0.70 0.00 0.00 55.95 55.31 1xsi s SER 217 Cb -0.12 -1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.18 1xsi s SER 217 CO 0.01 -0.44 0.21 -0.36 1.20 0.00 0.00 173.24 173.86 1xsi s PHE 218 N 1.45 3.48 -0.51 3.44 0.40 0.58 -1.84 117.98 124.97 1xsi s PHE 218 Ca 0.02 0.50 -0.05 0.00 -0.60 0.00 0.00 56.93 56.80 1xsi s PHE 218 Cb -0.21 -2.21 0.13 0.00 0.51 0.00 0.00 43.02 41.24 1xsi s PHE 218 CO 0.03 0.35 0.34 -1.21 0.70 0.00 0.00 175.22 175.44 1xsi s GLU 219 N 0.13 2.39 -0.85 0.44 0.41 0.88 -0.99 118.70 121.11 1xsi s GLU 219 Ca 0.13 -2.04 -0.19 0.00 -0.41 0.00 0.00 54.97 52.46 1xsi s GLU 219 Cb -0.12 -3.78 0.13 0.00 -1.78 0.00 0.00 34.13 28.58 1xsi s GLU 219 CO 0.02 -1.15 1.03 0.08 -0.49 0.00 0.00 175.26 174.75 1xsi s VAL 220 N 0.82 4.75 -1.56 2.63 1.01 -0.28 -1.65 120.40 126.12 1xsi s VAL 220 Ca 0.10 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1xsi s VAL 220 Cb -0.22 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.45 1xsi s VAL 220 CO -0.03 -1.42 0.00 0.61 0.00 0.00 0.00 175.10 174.26 1xsi n GLY 221 N 5.32 1.47 0.00 4.51 0.00 -0.61 -0.31 105.19 115.57 1xsi n GLY 221 Ca 0.15 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.78 1.01 -0.01 1.61 3.41 -1.25 -4.06 113.62 113.54 1xsi n SER 222 Ca -0.15 -0.54 -0.05 0.00 -0.26 0.00 0.00 58.87 57.87 1xsi n SER 222 Cb 0.54 1.24 -0.02 0.00 -0.26 0.00 0.00 64.21 65.71 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 -1.57 0.19 -3.88 4.33 2.13 -1.26 -4.97 120.64 115.61 1xsi n GLU 223 Ca 0.01 0.08 -0.35 0.00 0.66 0.00 0.00 57.16 57.55 1xsi n GLU 223 Cb 0.28 -0.83 -0.14 0.00 0.27 0.00 0.00 31.44 31.02 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 -2.27 3.37 0.49 5.31 -0.14 -1.26 -4.99 119.74 120.24 1xsi s LYS 224 Ca -0.11 -0.64 0.28 0.00 -1.36 0.00 0.00 55.97 54.15 1xsi s LYS 224 Cb 0.02 -3.08 0.93 0.00 -1.68 0.00 0.00 37.83 34.02 1xsi s LYS 224 CO 0.15 -0.22 1.82 -0.39 -0.76 0.00 0.00 175.35 175.95 1xsi h VAL 225 N 5.72 0.12 -0.53 3.17 -1.51 -1.94 -2.65 116.25 118.63 1xsi h VAL 225 Ca -0.40 -0.83 -0.23 0.00 -1.23 0.00 0.00 66.70 64.01 1xsi h VAL 225 Cb 1.16 1.74 -0.14 0.00 -2.13 0.00 0.00 31.29 31.92 1xsi h VAL 225 CO 0.60 0.05 0.14 -1.54 -1.23 0.00 0.00 177.57 175.59 1xsi n SER 226 N -3.14 3.27 -3.81 4.19 3.41 -1.26 -4.57 113.62 111.71 1xsi n SER 226 Ca 0.02 -3.55 -0.12 0.00 -0.26 0.00 0.00 58.87 54.95 1xsi n SER 226 Cb 0.41 -0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 63.57 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 -3.16 0.37 -0.40 4.33 3.01 -1.00 -0.04 119.74 122.86 1xsi s LYS 227 Ca 0.48 0.07 -0.22 0.00 -1.01 0.00 0.00 55.97 55.28 1xsi s LYS 227 Cb 0.42 0.17 0.01 0.00 -1.01 0.00 0.00 37.83 37.42 1xsi s LYS 227 CO 0.05 -0.07 0.75 0.08 0.51 0.00 0.00 175.35 176.67 1xsi s VAL 228 N -0.45 4.74 -0.03 3.17 1.01 -0.33 -1.57 120.40 126.93 1xsi s VAL 228 Ca -0.06 0.63 -0.17 0.00 0.00 0.00 0.00 61.98 62.38 1xsi s VAL 228 Cb -0.04 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1xsi s VAL 228 CO 0.01 -0.52 0.48 -1.58 0.00 0.00 0.00 175.10 173.49 1xsi s GLN 229 N 3.08 4.16 0.01 2.72 0.74 -0.66 -1.35 119.66 128.36 1xsi s GLN 229 Ca 0.29 0.52 0.01 0.00 0.05 0.00 0.00 55.36 56.23 1xsi s GLN 229 Cb -0.13 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.66 1xsi s GLN 229 CO 0.19 0.46 -0.03 -0.59 -0.55 0.00 0.00 175.29 174.78 1xsi s PHE 230 N -0.40 0.22 0.03 1.67 -0.12 -0.02 -0.09 117.98 119.28 1xsi s PHE 230 Ca 0.26 -0.15 -0.00 0.00 -0.05 0.00 0.00 56.93 56.99 1xsi s PHE 230 Cb -0.17 -0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.05 1xsi s PHE 230 CO 0.14 -0.04 -0.03 -1.54 -0.05 0.00 0.00 175.22 173.70 1xsi s SER 231 N -0.39 0.38 -0.07 1.98 1.04 -0.77 -1.53 113.70 114.35 1xsi s SER 231 Ca -0.03 -0.68 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 1xsi s SER 231 Cb -0.03 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1xsi s SER 231 CO -0.00 -0.39 0.22 0.54 0.98 0.00 0.00 173.24 174.59 1xsi s VAL 232 N -2.30 0.01 -0.68 5.02 0.11 -0.74 -1.76 120.40 120.08 1xsi s VAL 232 Ca -0.08 -0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.59 1xsi s VAL 232 Cb -0.04 -0.36 0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1xsi s VAL 232 CO -0.04 -0.06 1.31 -0.70 -3.33 0.00 0.00 175.10 172.28 1xsi s GLU 233 N -0.16 3.24 -0.15 1.54 2.12 -1.26 -1.66 118.70 122.37 1xsi s GLU 233 Ca -0.03 -0.00 -0.32 0.00 0.36 0.00 0.00 54.97 54.98 1xsi s GLU 233 Cb -0.03 -4.15 0.13 0.00 0.26 0.00 0.00 34.13 30.35 1xsi s GLU 233 CO 0.01 -2.06 1.11 0.45 -0.54 0.00 0.00 175.26 174.23 1xsi s SER 234 N 3.91 -0.22 0.00 -1.70 0.15 -1.11 -4.98 113.70 109.74 1xsi s SER 234 Ca 0.41 0.09 0.29 0.00 0.70 0.00 0.00 55.95 57.43 1xsi s SER 234 Cb -0.08 0.21 1.27 0.00 -1.71 0.00 0.00 66.02 65.71 1xsi s SER 234 CO 0.19 -0.32 1.88 -0.62 1.20 0.00 0.00 173.24 175.58 1xsi n GLU 235 N 0.11 0.75 -3.96 5.44 -0.58 -1.26 -3.60 120.64 117.54 1xsi n GLU 235 Ca -0.04 -0.25 -0.08 0.00 -0.42 0.00 0.00 57.16 56.37 1xsi n GLU 235 Cb 0.59 -1.49 -0.08 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 -2.42 0.35 -0.05 -0.32 -0.85 -1.26 -1.14 117.35 111.66 1xsi s TYR 236 Ca 0.31 -0.80 0.05 0.00 -0.52 0.00 0.00 57.07 56.10 1xsi s TYR 236 Cb 0.20 -0.19 -0.01 0.00 0.38 0.00 0.00 41.96 42.34 1xsi s TYR 236 CO 0.46 -0.51 -0.20 -1.17 -1.52 0.00 0.00 175.55 172.60 1xsi s LEU 237 N -2.91 1.98 -0.03 -3.49 2.96 -0.47 -4.83 118.68 111.89 1xsi s LEU 237 Ca 0.08 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1xsi s LEU 237 Cb 0.06 -1.14 0.01 0.00 0.50 0.00 0.00 46.19 45.62 1xsi s LEU 237 CO -0.08 0.19 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.39 1xsi s GLU 238 N -0.02 0.65 0.13 1.98 2.12 -1.26 -0.09 118.70 122.21 1xsi s GLU 238 Ca -0.05 -0.13 -0.05 0.00 0.36 0.00 0.00 54.97 55.11 1xsi s GLU 238 Cb -0.13 -0.66 -0.02 0.00 0.26 0.00 0.00 34.13 33.57 1xsi s GLU 238 CO 0.03 -0.01 0.15 1.52 -0.54 0.00 0.00 175.26 176.41 1xsi s TYR 239 N 0.53 0.57 -0.10 5.30 1.13 0.00 -0.42 117.35 124.37 1xsi s TYR 239 Ca -0.07 -0.97 0.03 0.00 -1.41 0.00 0.00 57.07 54.65 1xsi s TYR 239 Cb -0.10 -0.27 0.01 0.00 -1.10 0.00 0.00 41.96 40.50 1xsi s TYR 239 CO -0.00 -0.58 -0.19 -0.06 -2.51 0.00 0.00 175.55 172.21 1xsi s PHE 240 N -3.98 2.22 -0.16 -3.49 0.08 0.10 -0.67 117.98 112.07 1xsi s PHE 240 Ca 0.18 -0.98 -0.17 0.00 0.12 0.00 0.00 56.93 56.07 1xsi s PHE 240 Cb 0.06 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 1xsi s PHE 240 CO -0.02 -0.45 0.45 0.08 -0.10 0.00 0.00 175.22 175.18 1xsi s VAL 241 N 0.67 5.18 -0.23 -0.44 1.01 -0.02 -1.63 120.40 124.94 1xsi s VAL 241 Ca -0.12 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.72 1xsi s VAL 241 Cb -0.16 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1xsi s VAL 241 CO 0.03 0.28 -0.13 -0.63 0.00 0.00 0.00 175.10 174.64 1xsi s ILE 242 N 1.02 2.20 0.61 2.22 1.01 0.33 -0.43 121.20 128.16 1xsi s ILE 242 Ca 0.23 -1.36 -0.16 0.00 0.00 0.00 0.00 60.65 59.36 1xsi s ILE 242 Cb -0.15 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1xsi s ILE 242 CO 0.09 0.18 1.08 -0.62 0.00 0.00 0.00 174.94 175.66 1xsi s ASP 243 N 1.18 5.56 0.00 3.58 2.15 -0.59 -0.18 116.67 128.37 1xsi s ASP 243 Ca -0.04 1.89 0.00 0.00 0.43 0.00 0.00 52.55 54.84 1xsi s ASP 243 Cb -0.17 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1xsi s ASP 243 CO -0.08 -1.32 0.00 0.61 -0.17 0.00 0.00 175.17 174.21 1xsi n GLY 244 N -0.77 0.09 0.39 2.66 0.00 0.32 -3.99 105.19 103.89 1xsi n GLY 244 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 1.51 -4.19 1.61 -0.04 -1.26 -4.56 135.00 128.06 1xsi n PRO 245 Ca 0.00 -0.77 -0.24 0.00 -0.04 0.00 0.00 63.50 62.45 1xsi n PRO 245 Cb 0.00 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.82 3.94 0.26 0.52 -4.23 -1.26 -3.95 115.64 109.10 1xsi s THR 246 Ca 0.28 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 1xsi s THR 246 Cb 0.14 -3.06 0.23 0.00 1.34 0.00 0.00 72.50 71.15 1xsi s THR 246 CO 0.22 -0.25 1.77 -0.65 -0.54 0.00 0.00 174.62 175.16 1xsi h PRO 247 N 2.10 0.61 -0.65 3.99 0.11 -1.88 0.18 132.00 136.47 1xsi h PRO 247 Ca -0.47 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1xsi h PRO 247 Cb 1.23 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1xsi h PRO 247 CO 0.60 0.41 0.22 0.87 -0.21 0.00 0.00 178.00 179.89 1xsi h LYS 248 N 0.63 0.97 -0.04 1.05 1.57 -1.95 -2.03 116.57 116.77 1xsi h LYS 248 Ca 0.45 -0.18 -0.18 0.00 -1.87 0.00 0.00 60.65 58.86 1xsi h LYS 248 Cb 0.61 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1xsi h LYS 248 CO -0.35 0.82 -0.77 0.00 -0.57 0.00 0.00 179.45 178.58 1xsi h ALA 249 N 1.30 0.61 -0.46 3.86 0.00 -1.52 0.17 119.26 123.20 1xsi h ALA 249 Ca 0.21 -0.65 0.07 0.00 0.00 0.00 0.00 54.91 54.55 1xsi h ALA 249 Cb 0.24 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1xsi h ALA 249 CO -0.01 0.82 0.10 0.28 0.00 0.00 0.00 179.25 180.44 1xsi h VAL 250 N 0.18 0.76 -0.01 0.00 2.07 -0.44 -1.00 116.25 117.81 1xsi h VAL 250 Ca -0.03 -0.08 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 1xsi h VAL 250 Cb 1.36 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1xsi h VAL 250 CO 0.12 0.04 -0.80 -0.07 0.02 0.00 0.00 177.57 176.89 1xsi h LEU 251 N 0.24 0.17 0.16 2.57 3.38 -1.06 0.23 115.31 121.00 1xsi h LEU 251 Ca 0.23 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1xsi h LEU 251 Cb 0.29 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1xsi h LEU 251 CO -0.29 0.90 -0.19 -0.78 0.09 0.00 0.00 178.44 178.17 1xsi h ASP 252 N 0.08 -0.50 -0.46 -0.43 1.82 -0.48 0.12 116.42 116.57 1xsi h ASP 252 Ca -0.03 0.05 -0.14 0.00 -0.39 0.00 0.00 57.03 56.52 1xsi h ASP 252 Cb 1.40 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.58 1xsi h ASP 252 CO 0.12 -0.28 -0.26 0.03 -1.61 0.00 0.00 179.24 177.24 1xsi h ARG 253 N -0.39 0.99 -0.66 0.28 3.08 -0.86 -1.99 114.38 114.82 1xsi h ARG 253 Ca 0.01 -0.45 0.04 0.00 0.07 0.00 0.00 59.98 59.65 1xsi h ARG 253 Cb 0.38 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1xsi h ARG 253 CO -0.06 1.12 0.39 -0.92 -1.07 0.00 0.00 179.97 179.43 1xsi h TYR 254 N 0.84 0.73 0.00 3.04 3.20 -0.46 -1.19 116.97 123.14 1xsi h TYR 254 Ca 0.10 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.83 1xsi h TYR 254 Cb 0.85 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1xsi h TYR 254 CO 0.06 0.40 -0.74 1.79 -1.64 0.00 0.00 178.16 178.02 1xsi h THR 255 N 0.76 1.48 -0.62 1.81 1.35 -0.67 -0.19 112.91 116.82 1xsi h THR 255 Ca 0.28 -2.59 -0.03 0.00 -0.55 0.00 0.00 66.41 63.52 1xsi h THR 255 Cb 0.08 2.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.88 1xsi h THR 255 CO -0.13 0.73 0.27 -0.09 -0.25 0.00 0.00 175.52 176.04 1xsi h ARG 256 N 0.00 0.89 -0.06 4.72 2.43 -1.19 0.36 114.38 121.53 1xsi h ARG 256 Ca -0.01 -0.13 -0.25 0.00 -0.81 0.00 0.00 59.98 58.79 1xsi h ARG 256 Cb 1.36 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1xsi h ARG 256 CO 0.10 0.71 -0.92 0.35 -1.51 0.00 0.00 179.97 178.70 1xsi h PHE 257 N 0.88 1.04 0.00 2.20 3.57 -0.82 -3.38 116.94 120.44 1xsi h PHE 257 Ca 0.21 -0.53 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1xsi h PHE 257 Cb 0.14 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1xsi h PHE 257 CO 0.01 1.36 -0.54 0.25 -2.23 0.00 0.00 178.31 177.16 1xsi n THR 258 N -3.91 0.00 0.00 4.41 -2.24 -0.12 -0.42 114.28 112.00 1xsi n THR 258 Ca -0.10 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1xsi n THR 258 Cb 0.82 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 1.41 4.84 3.80 3.38 0.00 0.12 -4.14 105.19 114.60 1xsi n GLY 259 Ca 0.01 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.62 4.30 0.30 1.61 1.81 -1.08 -4.53 118.95 116.74 1xsi s ARG 260 Ca 0.00 0.86 -0.30 0.00 -1.72 0.00 0.00 55.73 54.58 1xsi s ARG 260 Cb 0.00 -3.15 -0.13 0.00 -0.45 0.00 0.00 34.95 31.22 1xsi s ARG 260 CO 0.00 0.56 1.39 -2.30 -0.68 0.00 0.00 175.30 174.27 1xsi n PRO 261 N 1.41 2.19 -1.61 3.54 -0.02 -1.25 -4.03 135.00 135.23 1xsi n PRO 261 Ca -0.07 0.77 -0.31 0.00 -2.02 0.00 0.00 63.50 61.87 1xsi n PRO 261 Cb 0.50 -2.42 0.04 0.00 -0.02 0.00 0.00 33.50 31.61 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 -0.53 2.74 -0.38 3.55 0.00 -1.25 -4.11 121.76 121.78 1xsi s ALA 262 Ca 0.62 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 52.40 1xsi s ALA 262 Cb -0.59 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.38 1xsi s ALA 262 CO 0.55 -1.15 0.79 -1.17 0.00 0.00 0.00 175.76 174.78 1xsi s LEU 263 N -5.50 4.14 0.47 0.00 2.96 -1.26 -4.68 118.68 114.80 1xsi s LEU 263 Ca 0.58 0.29 -0.23 0.00 -0.22 0.00 0.00 54.13 54.55 1xsi s LEU 263 Cb -0.14 -3.03 -0.07 0.00 0.50 0.00 0.00 46.19 43.45 1xsi s LEU 263 CO 0.55 -0.77 1.18 -2.84 -1.32 0.00 0.00 176.35 173.15 1xsi s PRO 264 N 3.15 3.70 0.92 0.98 0.02 -1.26 -4.89 135.00 137.62 1xsi s PRO 264 Ca 0.31 1.81 -0.12 0.00 0.02 0.00 0.00 61.00 63.03 1xsi s PRO 264 Cb -0.13 -2.38 0.09 0.00 0.02 0.00 0.00 34.50 32.10 1xsi s PRO 264 CO 0.18 -0.61 0.83 -0.35 -0.33 0.00 0.00 177.00 176.71 1xsi n PRO 265 N -0.55 -0.33 -0.03 5.54 -0.04 -1.24 -4.91 135.00 133.44 1xsi n PRO 265 Ca 0.08 -0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1xsi n PRO 265 Cb 0.48 -2.15 0.09 0.00 -0.04 0.00 0.00 33.50 31.88 1xsi n PRO 265 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsi h ALA 266 N -1.65 0.83 -0.26 0.55 0.00 -1.89 -2.75 119.26 114.08 1xsi h ALA 266 Ca -0.43 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.12 1xsi h ALA 266 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1xsi h ALA 266 CO 0.39 0.64 0.22 0.11 0.00 0.00 0.00 179.25 180.60 1xsi h TRP 267 N 0.53 0.00 0.00 0.00 5.08 -1.91 -1.48 115.95 118.18 1xsi h TRP 267 Ca 0.05 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.02 1xsi h TRP 267 Cb 0.88 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.04 1xsi h TRP 267 CO 0.04 0.00 0.00 0.66 -1.28 0.00 0.00 178.44 177.86 1xsi h SER 268 N 0.00 0.00 0.14 0.11 4.64 -1.84 -2.22 113.55 114.38 1xsi h SER 268 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1xsi h SER 268 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1xsi h SER 268 CO -0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 1xsi n PHE 269 N -2.87 0.00 -0.85 4.77 3.72 -0.56 -4.76 117.46 116.92 1xsi n PHE 269 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1xsi n PHE 269 Cb 0.25 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.87 -0.76 3.64 1.37 0.00 -0.84 -4.84 105.19 104.63 1xsi n GLY 270 Ca 0.19 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 4.08 0.23 0.99 2.96 -1.26 -4.38 118.68 121.29 1xsi s LEU 271 Ca 0.00 1.03 -0.18 0.00 -0.22 0.00 0.00 54.13 54.76 1xsi s LEU 271 Cb 0.00 -3.22 -0.08 0.00 0.50 0.00 0.00 46.19 43.39 1xsi s LEU 271 CO 0.00 -0.55 0.70 0.26 -1.32 0.00 0.00 176.35 175.44 1xsi s TRP 272 N 2.92 3.60 -0.05 5.38 0.52 -0.09 -1.77 118.94 129.45 1xsi s TRP 272 Ca 0.36 1.31 0.03 0.00 0.02 0.00 0.00 56.10 57.82 1xsi s TRP 272 Cb -0.15 -2.57 0.00 0.00 -1.15 0.00 0.00 33.47 29.60 1xsi s TRP 272 CO 0.08 0.31 -0.14 -1.17 0.02 0.00 0.00 176.95 176.05 1xsi s LEU 273 N -2.14 1.82 -0.02 2.99 0.20 0.59 -0.44 118.68 121.67 1xsi s LEU 273 Ca 0.44 -0.31 0.08 0.00 0.69 0.00 0.00 54.13 55.03 1xsi s LEU 273 Cb -0.15 -0.85 -0.02 0.00 -0.43 0.00 0.00 46.19 44.73 1xsi s LEU 273 CO 0.20 0.10 -0.25 -0.89 -0.29 0.00 0.00 176.35 175.22 1xsi s THR 274 N 0.25 2.00 0.62 3.68 2.01 -0.30 0.09 115.64 123.98 1xsi s THR 274 Ca -0.07 -1.08 0.41 0.00 0.31 0.00 0.00 61.69 61.26 1xsi s THR 274 Cb -0.12 -1.66 0.43 0.00 0.01 0.00 0.00 72.50 71.15 1xsi s THR 274 CO 0.02 0.57 2.33 0.00 -0.69 0.00 0.00 174.62 176.85 1xsi h THR 275 N 4.55 0.10 0.00 -0.82 1.03 -1.89 -3.42 112.91 112.46 1xsi h THR 275 Ca -0.42 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 1xsi h THR 275 Cb 1.13 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 69.24 1xsi h THR 275 CO 0.47 0.00 0.00 -1.20 -0.01 0.00 0.00 175.52 174.78 1xsi n SER 276 N -3.22 0.00 0.00 0.00 7.64 -1.26 -4.77 113.62 112.01 1xsi n SER 276 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1xsi n SER 276 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.11 0.00 1.20 1.43 7.35 -1.02 -4.48 117.46 122.05 1xsi n PHE 277 Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1xsi n PHE 277 Cb 0.00 -0.16 0.30 0.00 0.35 0.00 0.00 39.48 39.97 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 -1.13 0.00 -1.62 -2.13 -2.24 0.96 -4.71 114.28 103.42 1xsi n THR 278 Ca 0.00 -0.16 -0.45 0.00 -2.27 0.00 0.00 64.05 61.17 1xsi n THR 278 Cb 0.00 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.48 1.59 -1.26 4.28 -2.24 -1.26 -5.02 114.28 109.88 1xsi n THR 279 Ca 0.12 -0.40 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 1xsi n THR 279 Cb 0.38 -1.13 0.11 0.00 -2.10 0.00 0.00 70.33 67.59 1xsi n THR 279 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xsi n ASN 280 N 1.49 1.19 0.00 3.42 5.15 -1.26 -5.02 115.26 120.22 1xsi n ASN 280 Ca 0.10 0.65 0.00 0.00 -0.60 0.00 0.00 54.58 54.73 1xsi n ASN 280 Cb 0.31 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.05 1xsi n ASN 280 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xsi n TYR 281 N -2.93 0.00 -3.99 1.20 4.11 -1.26 -5.11 117.16 109.18 1xsi n TYR 281 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.91 1xsi n TYR 281 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.81 1xsi n TYR 281 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1xsi n ASP 282 N 0.00 -1.21 0.25 9.48 5.68 -1.26 -4.95 116.55 124.53 1xsi n ASP 282 Ca 0.00 -2.66 0.11 0.00 -0.50 0.00 0.00 54.79 51.74 1xsi n ASP 282 Cb 0.00 2.25 0.72 0.00 -1.14 0.00 0.00 41.12 42.95 1xsi n ASP 282 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1xsi h GLU 283 N 0.00 0.00 0.04 0.11 4.81 -2.00 -1.61 114.58 115.93 1xsi h GLU 283 Ca -0.24 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.78 1xsi h GLU 283 Cb 1.05 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.44 1xsi h GLU 283 CO 0.33 0.00 -0.86 0.00 -0.73 0.00 0.00 179.01 177.75 1xsi h ALA 284 N 1.97 0.05 -0.92 2.92 0.00 -1.98 -2.78 119.26 118.51 1xsi h ALA 284 Ca 0.02 -0.65 0.04 0.00 0.00 0.00 0.00 54.91 54.32 1xsi h ALA 284 Cb 0.10 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1xsi h ALA 284 CO -0.00 0.50 0.59 1.15 0.00 0.00 0.00 179.25 181.49 1xsi h THR 285 N 0.06 1.12 -0.04 0.00 2.02 -1.76 -1.90 112.91 112.42 1xsi h THR 285 Ca -0.12 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1xsi h THR 285 Cb 1.56 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1xsi h THR 285 CO 0.17 0.21 0.01 0.58 0.37 0.00 0.00 175.52 176.85 1xsi h VAL 286 N 1.13 1.20 -0.43 3.16 2.07 -1.30 -1.70 116.25 120.38 1xsi h VAL 286 Ca 0.38 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1xsi h VAL 286 Cb 0.06 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1xsi h VAL 286 CO -0.14 0.17 0.06 0.78 0.02 0.00 0.00 177.57 178.46 1xsi h ASN 287 N -0.17 0.63 -0.16 0.57 2.35 -1.40 -1.60 115.58 115.79 1xsi h ASN 287 Ca 0.01 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 1xsi h ASN 287 Cb 0.26 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1xsi h ASN 287 CO 0.00 0.66 -0.07 -1.28 -1.65 0.00 0.00 177.43 175.09 1xsi h SER 288 N 0.64 0.46 0.58 5.81 0.87 -1.15 0.12 113.55 120.89 1xsi h SER 288 Ca 0.14 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1xsi h SER 288 Cb 0.31 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1xsi h SER 288 CO 0.01 0.58 -0.28 0.15 -0.53 0.00 0.00 176.83 176.76 1xsi h PHE 289 N 0.45 -0.72 -0.56 2.24 3.04 -0.58 -0.81 116.94 120.01 1xsi h PHE 289 Ca 0.09 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1xsi h PHE 289 Cb 0.41 0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.13 1xsi h PHE 289 CO 0.01 -0.44 0.29 0.82 -2.02 0.00 0.00 178.31 176.97 1xsi h ILE 290 N -0.78 1.19 -0.65 1.41 2.04 -1.10 -2.04 117.51 117.59 1xsi h ILE 290 Ca -0.08 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 1xsi h ILE 290 Cb 0.59 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1xsi h ILE 290 CO 0.13 0.21 0.12 0.44 0.00 0.00 0.00 178.15 179.05 1xsi h ASP 291 N 0.75 1.00 -1.01 1.72 3.32 -0.80 -1.64 116.42 119.76 1xsi h ASP 291 Ca 0.19 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1xsi h ASP 291 Cb 0.07 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 1xsi h ASP 291 CO -0.03 0.98 0.67 1.23 -1.72 0.00 0.00 179.24 180.37 1xsi h GLY 292 N 1.05 1.43 0.98 2.75 0.00 -0.79 0.33 103.07 108.82 1xsi h GLY 292 Ca 0.20 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1xsi h GLY 292 CO 0.01 0.50 -0.35 -0.33 0.00 0.00 0.00 176.54 176.36 1xsi h MET 293 N 1.35 -0.95 -0.94 4.80 2.86 -0.93 -2.98 114.93 118.13 1xsi h MET 293 Ca 0.38 0.06 0.07 0.00 -2.06 0.00 0.00 59.70 58.16 1xsi h MET 293 Cb -0.12 0.22 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 1xsi h MET 293 CO -0.09 -0.63 0.61 0.00 1.06 0.00 0.00 176.91 177.86 1xsi h ALA 294 N -0.77 1.50 0.00 6.32 0.00 -1.11 -1.77 119.26 123.43 1xsi h ALA 294 Ca -0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xsi h ALA 294 Cb 0.77 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xsi h ALA 294 CO 0.17 0.34 -0.00 0.93 0.00 0.00 0.00 179.25 180.68 1xsi h GLU 295 N 1.05 0.00 -0.23 0.00 5.08 -0.25 -1.75 114.58 118.47 1xsi h GLU 295 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1xsi h GLU 295 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1xsi h GLU 295 CO -0.17 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.38 1xsi n ARG 296 N -3.25 2.72 -3.32 2.33 1.74 -0.73 -4.97 116.66 111.19 1xsi n ARG 296 Ca -0.03 -2.61 -0.24 0.00 -0.77 0.00 0.00 57.85 54.20 1xsi n ARG 296 Cb 0.09 -1.66 0.02 0.00 -1.02 0.00 0.00 32.46 29.88 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 -0.43 -4.96 -4.44 0.55 3.02 -0.66 -4.97 115.26 103.38 1xsi n ASN 297 Ca 0.18 -0.41 -0.44 0.00 -0.03 0.00 0.00 54.58 53.88 1xsi n ASN 297 Cb 0.75 -4.02 -0.06 0.00 -0.61 0.00 0.00 39.78 35.84 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 -6.72 5.03 0.31 3.41 1.43 -0.84 -4.91 118.68 116.39 1xsi s LEU 298 Ca 0.41 -0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 52.27 1xsi s LEU 298 Cb -0.20 -2.42 -0.10 0.00 0.03 0.00 0.00 46.19 43.49 1xsi s LEU 298 CO 0.51 -0.87 1.36 -2.84 0.23 0.00 0.00 176.35 174.73 1xsi s PRO 299 N 2.55 4.31 -0.03 1.29 0.02 -1.26 -4.20 135.00 137.67 1xsi s PRO 299 Ca 0.14 2.27 0.02 0.00 0.02 0.00 0.00 61.00 63.45 1xsi s PRO 299 Cb -0.20 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.26 1xsi s PRO 299 CO 0.11 -0.28 -0.07 -1.17 -0.33 0.00 0.00 177.00 175.26 1xsi s LEU 300 N -1.46 1.60 0.00 -5.54 1.98 -1.26 -4.73 118.68 109.27 1xsi s LEU 300 Ca 0.52 -0.16 0.00 0.00 -2.89 0.00 0.00 54.13 51.60 1xsi s LEU 300 Cb -0.41 -0.49 0.00 0.00 0.66 0.00 0.00 46.19 45.95 1xsi s LEU 300 CO 0.52 0.01 0.00 1.41 -1.89 0.00 0.00 176.35 176.40 1xsi n HIS 301 N 3.62 0.00 -4.20 5.38 8.25 -0.73 -4.84 115.22 122.70 1xsi n HIS 301 Ca -0.21 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.03 1xsi n HIS 301 Cb 0.53 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.47 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 -1.92 0.68 -0.11 1.59 1.01 -0.94 -0.75 120.40 119.95 1xsi s VAL 302 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1xsi s VAL 302 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1xsi s VAL 302 CO 0.00 0.26 -0.05 0.12 0.00 0.00 0.00 175.10 175.43 1xsi s PHE 303 N 1.01 2.99 -0.12 5.22 5.36 0.11 -0.30 117.98 132.25 1xsi s PHE 303 Ca -0.09 -0.15 0.02 0.00 -0.96 0.00 0.00 56.93 55.74 1xsi s PHE 303 Cb -0.14 -1.84 -0.01 0.00 -0.34 0.00 0.00 43.02 40.69 1xsi s PHE 303 CO -0.00 0.14 -0.18 -1.58 -1.46 0.00 0.00 175.22 172.13 1xsi s HIS 304 N -0.20 2.70 -0.27 10.12 5.65 0.11 -0.88 115.29 132.52 1xsi s HIS 304 Ca 0.03 -0.91 -0.21 0.00 0.25 0.00 0.00 55.06 54.22 1xsi s HIS 304 Cb -0.13 -1.79 -0.01 0.00 -1.18 0.00 0.00 32.58 29.46 1xsi s HIS 304 CO 0.03 -0.36 0.67 -0.06 -0.65 0.00 0.00 174.74 174.36 1xsi s PHE 305 N 0.44 3.26 0.00 3.88 0.08 -0.21 -3.89 117.98 121.55 1xsi s PHE 305 Ca -0.13 0.80 0.00 0.00 0.12 0.00 0.00 56.93 57.72 1xsi s PHE 305 Cb -0.17 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1xsi s PHE 305 CO 0.06 -0.39 0.00 -3.47 -0.10 0.00 0.00 175.22 171.32 1xsi n ASP 306 N 5.83 0.00 -0.33 1.36 4.64 -1.26 -0.97 116.55 125.82 1xsi n ASP 306 Ca 0.00 -0.31 0.28 0.00 -1.38 0.00 0.00 54.79 53.39 1xsi n ASP 306 Cb 0.49 0.00 0.53 0.00 -1.04 0.00 0.00 41.12 41.09 1xsi n ASP 306 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1xsi n PHE 308 N -5.30 0.22 0.24 0.00 3.72 -1.26 -2.30 117.46 112.79 1xsi n PHE 308 Ca 0.35 -0.09 0.12 0.00 -0.05 0.00 0.00 57.45 57.78 1xsi n PHE 308 Cb 1.17 -0.07 0.58 0.00 -0.94 0.00 0.00 39.48 40.23 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 0.63 0.00 -1.04 1.38 5.08 -1.81 -3.45 115.95 116.74 1xsi h TRP 309 Ca 0.00 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 1xsi h TRP 309 Cb 0.39 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.57 1xsi h TRP 309 CO 0.11 0.15 -0.17 -1.64 -1.28 0.00 0.00 178.44 175.61 1xsi s MET 310 N -3.78 2.50 0.27 0.12 -1.94 -0.97 -0.86 119.30 114.64 1xsi s MET 310 Ca -0.00 -1.51 -0.24 0.00 -1.71 0.00 0.00 55.69 52.23 1xsi s MET 310 Cb 0.11 -2.66 -0.09 0.00 2.01 0.00 0.00 34.83 34.20 1xsi s MET 310 CO 0.60 -0.62 0.86 0.15 -0.01 0.00 0.00 175.02 176.01 1xsi s LYS 311 N -4.52 4.51 0.26 2.03 1.02 -1.26 -4.60 119.74 117.17 1xsi s LYS 311 Ca 0.58 1.19 -0.30 0.00 0.02 0.00 0.00 55.97 57.45 1xsi s LYS 311 Cb -0.07 -2.91 -0.14 0.00 -0.52 0.00 0.00 37.83 34.20 1xsi s LYS 311 CO 0.36 0.36 1.31 0.00 -0.92 0.00 0.00 175.35 176.46 1xsi n ALA 312 N 0.78 0.76 -1.19 5.17 0.00 -1.26 -1.32 120.51 123.45 1xsi n ALA 312 Ca -0.00 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 53.78 1xsi n ALA 312 Cb 0.50 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 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 1.38 0.00 0.08 0.00 3.72 -1.26 -4.83 117.46 116.55 1xsi n PHE 313 Ca 0.10 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.54 1xsi n PHE 313 Cb 0.31 -2.20 0.06 0.00 -0.94 0.00 0.00 39.48 36.72 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 -0.70 1.43 -1.63 -1.08 6.02 -0.43 -3.93 117.38 117.06 1xsi n GLN 314 Ca -0.07 -1.36 -0.38 0.00 -0.01 0.00 0.00 57.00 55.19 1xsi n GLN 314 Cb 0.48 -1.14 0.06 0.00 1.02 0.00 0.00 30.24 30.66 1xsi n GLN 314 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1xsi n TRP 315 N 0.22 0.92 -3.06 1.08 8.01 -1.25 -1.43 117.44 121.93 1xsi n TRP 315 Ca 0.05 0.43 -0.01 0.00 -1.31 0.00 0.00 57.50 56.67 1xsi n TRP 315 Cb 0.26 -2.15 -0.00 0.00 -2.01 0.00 0.00 31.31 27.41 1xsi n TRP 315 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1xsi n ASP 317 N 0.50 2.25 -0.11 0.00 5.75 -0.52 -4.76 116.55 119.66 1xsi n ASP 317 Ca -0.01 -1.63 -0.01 0.00 -0.01 0.00 0.00 54.79 53.13 1xsi n ASP 317 Cb 0.02 0.32 -0.01 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.38 0.00 -3.09 2.11 3.72 -1.26 -5.00 117.46 114.31 1xsi n PHE 318 Ca 0.10 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.10 1xsi n PHE 318 Cb 0.48 -1.21 -0.05 0.00 -0.94 0.00 0.00 39.48 37.76 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 -1.32 4.33 0.34 -1.08 0.41 -1.26 -5.05 118.70 115.08 1xsi s GLU 319 Ca 0.00 0.74 -0.29 0.00 -0.41 0.00 0.00 54.97 55.01 1xsi s GLU 319 Cb 0.00 -3.50 -0.11 0.00 -1.78 0.00 0.00 34.13 28.74 1xsi s GLU 319 CO 0.00 -0.06 1.38 -1.58 -0.49 0.00 0.00 175.26 174.51 1xsi s TRP 320 N 1.29 2.88 -0.18 1.61 0.52 -1.26 -4.15 118.94 119.65 1xsi s TRP 320 Ca 0.33 1.30 -0.28 0.00 0.02 0.00 0.00 56.10 57.46 1xsi s TRP 320 Cb -0.17 -3.81 -0.05 0.00 -1.15 0.00 0.00 33.47 28.29 1xsi s TRP 320 CO 0.14 -2.32 2.13 0.34 0.02 0.00 0.00 176.95 177.26 1xsi s ASP 321 N -0.31 5.68 0.31 2.95 -1.08 -0.04 -4.85 116.67 119.34 1xsi s ASP 321 Ca 0.51 1.98 0.17 0.00 -0.52 0.00 0.00 52.55 54.69 1xsi s ASP 321 Cb -0.42 -2.52 0.26 0.00 -1.46 0.00 0.00 42.92 38.78 1xsi s ASP 321 CO 0.56 -1.77 1.53 1.55 0.52 0.00 0.00 175.17 177.57 1xsi h PRO 322 N 14.01 0.00 -0.21 4.34 0.14 -1.91 0.30 132.00 148.67 1xsi h PRO 322 Ca -0.42 0.00 -0.14 0.00 0.14 0.00 0.00 66.00 65.58 1xsi h PRO 322 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.36 1xsi h PRO 322 CO 0.96 0.45 -0.45 -0.07 0.14 0.00 0.00 178.00 179.03 1xsi h LEU 323 N 0.00 0.56 0.06 1.56 3.38 -1.98 -3.16 115.31 115.73 1xsi h LEU 323 Ca -0.00 -0.26 -0.27 0.00 0.09 0.00 0.00 57.88 57.43 1xsi h LEU 323 Cb 1.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1xsi h LEU 323 CO 0.06 0.93 -1.47 0.74 0.09 0.00 0.00 178.44 178.78 1xsi h THR 324 N 0.42 0.88 -2.93 0.22 2.02 -1.83 -3.42 112.91 108.27 1xsi h THR 324 Ca 0.03 -2.28 -0.61 0.00 0.77 0.00 0.00 66.41 64.31 1xsi h THR 324 Cb 0.96 2.45 -0.41 0.00 -1.74 0.00 0.00 68.15 69.40 1xsi h THR 324 CO 0.08 0.58 -0.67 -0.36 0.37 0.00 0.00 175.52 175.52 1xsi s PHE 325 N -2.44 2.95 -0.04 3.16 0.08 0.10 -4.11 117.98 117.68 1xsi s PHE 325 Ca -0.25 -3.08 0.30 0.00 0.12 0.00 0.00 56.93 54.03 1xsi s PHE 325 Cb 0.05 -2.29 1.40 0.00 -0.57 0.00 0.00 43.02 41.62 1xsi s PHE 325 CO 0.69 -0.62 1.91 -1.35 -0.10 0.00 0.00 175.22 175.74 1xsi h PRO 326 N 5.55 0.00 -2.13 0.24 0.11 -1.74 -3.34 132.00 130.69 1xsi h PRO 326 Ca 0.16 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.71 1xsi h PRO 326 Cb 0.80 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.54 1xsi h PRO 326 CO 0.63 0.00 -1.00 -3.47 -0.21 0.00 0.00 178.00 173.95 1xsi n ASP 327 N -2.66 -0.41 0.03 -2.05 2.03 -1.26 -5.03 116.55 107.20 1xsi n ASP 327 Ca 0.00 -2.53 -0.12 0.00 0.52 0.00 0.00 54.79 52.67 1xsi n ASP 327 Cb 0.19 -0.45 -0.07 0.00 -0.72 0.00 0.00 41.12 40.06 1xsi n ASP 327 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xsi h PRO 328 N 4.98 0.03 -0.19 -0.67 0.11 -1.99 -1.67 132.00 132.59 1xsi h PRO 328 Ca 0.18 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1xsi h PRO 328 Cb 0.91 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1xsi h PRO 328 CO 0.39 0.07 0.03 1.49 -0.21 0.00 0.00 178.00 179.77 1xsi h GLU 329 N -0.03 0.32 -0.63 1.05 4.81 -1.95 0.22 114.58 118.36 1xsi h GLU 329 Ca 0.01 -0.09 0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1xsi h GLU 329 Cb 0.05 -0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.27 1xsi h GLU 329 CO -0.00 0.48 -0.24 0.78 -0.73 0.00 0.00 179.01 179.30 1xsi h GLY 330 N 0.11 0.23 0.91 1.92 0.00 -1.89 -0.39 103.07 103.95 1xsi h GLY 330 Ca 0.06 0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 1xsi h GLY 330 CO 0.00 -0.24 0.04 1.98 0.00 0.00 0.00 176.54 178.33 1xsi h MET 331 N -0.07 0.13 -0.43 4.80 1.85 -0.78 -2.14 114.93 118.28 1xsi h MET 331 Ca 0.28 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.35 1xsi h MET 331 Cb 0.52 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.51 1xsi h MET 331 CO -0.69 0.19 0.23 0.82 -0.40 0.00 0.00 176.91 177.06 1xsi h ILE 332 N 0.03 1.17 -0.43 1.77 2.04 -0.55 -0.73 117.51 120.81 1xsi h ILE 332 Ca 0.03 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1xsi h ILE 332 Cb 0.11 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1xsi h ILE 332 CO -0.00 0.18 0.14 0.03 0.00 0.00 0.00 178.15 178.50 1xsi h ARG 333 N 0.56 0.62 -0.02 2.37 -0.00 -1.01 0.86 114.38 117.75 1xsi h ARG 333 Ca 0.15 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.98 59.54 1xsi h ARG 333 Cb 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 29.94 1xsi h ARG 333 CO -0.02 0.53 0.00 0.00 0.00 0.00 0.00 179.97 180.48 1xsi h ARG 334 N 0.61 0.04 -0.92 0.04 3.08 -0.79 -1.97 114.38 114.47 1xsi h ARG 334 Ca 0.15 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.29 1xsi h ARG 334 Cb 0.17 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.14 1xsi h ARG 334 CO -0.01 0.33 0.56 -0.07 -1.07 0.00 0.00 179.97 179.71 1xsi h LEU 335 N -0.27 0.82 -0.87 3.04 3.38 -0.66 -2.58 115.31 118.18 1xsi h LEU 335 Ca 0.01 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1xsi h LEU 335 Cb 0.32 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1xsi h LEU 335 CO 0.00 0.46 0.44 0.50 0.09 0.00 0.00 178.44 179.94 1xsi h LYS 336 N 0.92 1.24 -0.16 1.13 1.63 -0.62 -2.50 116.57 118.21 1xsi h LYS 336 Ca 0.44 -0.17 -0.04 0.00 -0.85 0.00 0.00 60.65 60.04 1xsi h LYS 336 Cb 0.39 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1xsi h LYS 336 CO -0.25 0.93 -0.08 0.00 -3.45 0.00 0.00 179.45 176.61 1xsi h ALA 337 N 1.24 1.57 0.00 5.00 0.00 -0.95 -0.03 119.26 126.09 1xsi h ALA 337 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xsi h ALA 337 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xsi h ALA 337 CO -0.04 0.31 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1xsi n LYS 338 N -4.32 0.29 -2.37 0.00 5.02 -0.94 -4.84 118.16 111.00 1xsi n LYS 338 Ca -0.01 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.24 1xsi n LYS 338 Cb 0.23 -1.11 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.26 0.30 3.14 0.72 0.00 -0.03 -5.06 105.19 104.00 1xsi n GLY 339 Ca 0.02 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.93 2.07 0.33 0.99 1.43 -1.18 -4.77 118.68 114.62 1xsi s LEU 340 Ca 0.01 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1xsi s LEU 340 Cb -0.01 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.39 1xsi s LEU 340 CO 0.17 0.15 0.64 -0.54 0.23 0.00 0.00 176.35 177.00 1xsi s LYS 341 N -0.59 3.73 -0.13 1.70 -0.14 0.07 -4.43 119.74 119.94 1xsi s LYS 341 Ca 0.05 0.26 0.02 0.00 -1.36 0.00 0.00 55.97 54.94 1xsi s LYS 341 Cb -0.07 -2.54 0.00 0.00 -1.68 0.00 0.00 37.83 33.55 1xsi s LYS 341 CO 0.00 0.13 -0.21 0.42 -0.76 0.00 0.00 175.35 174.93 1xsi s ILE 342 N -2.15 2.20 0.04 2.17 1.09 -1.26 -0.71 121.20 122.58 1xsi s ILE 342 Ca 0.48 -0.94 0.04 0.00 -1.10 0.00 0.00 60.65 59.12 1xsi s ILE 342 Cb -0.11 -1.88 -0.04 0.00 -1.06 0.00 0.00 42.46 39.38 1xsi s ILE 342 CO 0.28 0.54 -0.04 0.00 -0.10 0.00 0.00 174.94 175.63 1xsi s VAL 344 N -1.11 0.98 0.19 0.00 -7.23 -0.99 -1.04 120.40 111.19 1xsi s VAL 344 Ca 0.20 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 1xsi s VAL 344 Cb -0.11 -0.95 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 1xsi s VAL 344 CO 0.11 -0.22 1.21 0.86 -0.31 0.00 0.00 175.10 176.75 1xsi s TRP 345 N -1.21 3.40 0.19 2.82 -0.00 -0.14 -1.82 118.94 122.18 1xsi s TRP 345 Ca -0.03 1.41 0.00 0.00 -0.00 0.00 0.00 56.10 57.48 1xsi s TRP 345 Cb -0.10 -3.45 -0.04 0.00 -0.00 0.00 0.00 33.47 29.88 1xsi s TRP 345 CO 0.02 -1.27 0.06 0.96 -0.00 0.00 0.00 176.95 176.72 1xsi s ILE 346 N -0.10 0.38 0.34 5.86 -4.36 -0.76 -4.92 121.20 117.64 1xsi s ILE 346 Ca 0.53 -1.97 -0.10 0.00 -0.26 0.00 0.00 60.65 58.85 1xsi s ILE 346 Cb -0.33 -2.31 0.02 0.00 1.25 0.00 0.00 42.46 41.09 1xsi s ILE 346 CO 0.37 -0.26 0.60 0.54 0.24 0.00 0.00 174.94 176.44 1xsi s ASN 347 N -3.18 0.38 -0.34 4.36 4.22 -1.26 -1.74 114.94 117.39 1xsi s ASN 347 Ca 0.30 -1.23 0.09 0.00 -2.14 0.00 0.00 52.86 49.88 1xsi s ASN 347 Cb 0.07 0.72 0.65 0.00 1.28 0.00 0.00 41.25 43.97 1xsi s ASN 347 CO 0.07 -1.42 1.72 -0.81 -2.04 0.00 0.00 177.10 174.62 1xsi n PRO 348 N -0.52 2.78 -4.47 3.55 -0.04 -1.26 -4.71 135.00 130.32 1xsi n PRO 348 Ca -0.03 -3.07 -0.24 0.00 -0.04 0.00 0.00 63.50 60.13 1xsi n PRO 348 Cb 0.61 -2.07 -0.10 0.00 -0.04 0.00 0.00 33.50 31.90 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 -3.12 2.23 -0.04 0.54 2.02 -1.26 -1.91 117.35 115.81 1xsi s TYR 349 Ca 0.52 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.76 1xsi s TYR 349 Cb 0.43 -1.09 0.02 0.00 -0.40 0.00 0.00 41.96 40.92 1xsi s TYR 349 CO 0.09 0.61 0.09 -1.50 -1.57 0.00 0.00 175.55 173.27 1xsi s ILE 350 N -2.63 -0.02 0.38 2.71 2.07 -0.31 -3.55 121.20 119.85 1xsi s ILE 350 Ca 0.30 0.06 -0.21 0.00 -1.41 0.00 0.00 60.65 59.39 1xsi s ILE 350 Cb -0.02 -0.15 -0.10 0.00 0.13 0.00 0.00 42.46 42.32 1xsi s ILE 350 CO 0.14 0.02 0.90 -0.83 -1.91 0.00 0.00 174.94 173.27 1xsi s GLY 351 N 0.38 2.48 0.49 1.50 0.00 -1.11 -1.26 107.32 109.81 1xsi s GLY 351 Ca -0.03 0.36 0.18 0.00 0.00 0.00 0.00 44.72 45.23 1xsi s GLY 351 CO -0.01 0.67 2.08 -1.61 0.00 0.00 0.00 173.10 174.22 1xsi h GLN 352 N 2.30 0.00 0.00 2.90 4.15 -1.46 -2.31 115.11 120.69 1xsi h GLN 352 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1xsi h GLN 352 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1xsi h GLN 352 CO 0.63 0.10 0.00 -0.22 -1.93 0.00 0.00 178.83 177.41 1xsi h LYS 353 N 0.00 0.00 -6.49 1.69 3.64 -1.79 -3.44 116.57 110.18 1xsi h LYS 353 Ca -0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1xsi h LYS 353 Cb 0.19 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1xsi h LYS 353 CO 0.01 0.00 0.63 0.45 -2.27 0.00 0.00 179.45 178.27 1xsi s SER 354 N -5.11 6.99 0.60 4.20 0.15 -0.87 -4.89 113.70 114.77 1xsi s SER 354 Ca -0.01 2.10 0.28 0.00 0.70 0.00 0.00 55.95 59.03 1xsi s SER 354 Cb 0.10 -2.58 1.26 0.00 -1.71 0.00 0.00 66.02 63.09 1xsi s SER 354 CO 0.43 -0.54 1.64 -0.65 1.20 0.00 0.00 173.24 175.32 1xsi h PRO 355 N 6.88 0.00 0.00 5.44 0.11 -1.90 -1.02 132.00 141.52 1xsi h PRO 355 Ca -0.41 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.60 1xsi h PRO 355 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xsi h PRO 355 CO 0.83 0.00 -0.56 0.28 -0.21 0.00 0.00 178.00 178.34 1xsi h VAL 356 N 0.00 0.66 -0.15 3.15 2.07 -1.92 -3.30 116.25 116.75 1xsi h VAL 356 Ca 0.34 -1.97 0.05 0.00 0.82 0.00 0.00 66.70 65.94 1xsi h VAL 356 Cb 1.96 2.28 -0.05 0.00 -1.52 0.00 0.00 31.29 33.95 1xsi h VAL 356 CO -0.00 0.38 -0.16 0.15 0.02 0.00 0.00 177.57 177.95 1xsi h PHE 357 N 0.00 -0.40 -0.98 1.57 3.04 -1.44 1.00 116.94 119.72 1xsi h PHE 357 Ca -0.02 0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.98 1xsi h PHE 357 Cb 1.34 0.20 -0.06 0.00 2.56 0.00 0.00 35.95 40.00 1xsi h PHE 357 CO 0.00 -0.23 0.64 -0.22 -2.02 0.00 0.00 178.31 176.48 1xsi h LYS 358 N -0.19 1.21 0.02 1.11 3.64 -1.73 0.33 116.57 120.97 1xsi h LYS 358 Ca 0.10 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xsi h LYS 358 Cb 0.34 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1xsi h LYS 358 CO -0.27 0.80 -0.01 1.49 -2.27 0.00 0.00 179.45 179.20 1xsi h GLU 359 N 1.25 -0.03 -0.59 1.90 4.81 -1.31 0.16 114.58 120.77 1xsi h GLU 359 Ca 0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1xsi h GLU 359 Cb -0.03 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1xsi h GLU 359 CO -0.11 -0.02 0.35 -0.07 -0.73 0.00 0.00 179.01 178.43 1xsi h LEU 360 N -0.03 0.72 -0.34 1.64 3.38 -0.34 -1.45 115.31 118.90 1xsi h LEU 360 Ca -0.00 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1xsi h LEU 360 Cb 0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1xsi h LEU 360 CO 0.00 0.57 0.11 -0.61 0.09 0.00 0.00 178.44 178.61 1xsi h GLN 361 N 0.80 0.25 -0.16 1.13 4.15 -0.00 -1.58 115.11 119.69 1xsi h GLN 361 Ca 0.21 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.53 1xsi h GLN 361 Cb -0.01 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1xsi h GLN 361 CO -0.04 0.16 -0.27 0.93 -1.93 0.00 0.00 178.83 177.69 1xsi h GLU 362 N 0.25 0.29 -0.00 1.69 5.08 -0.16 -2.68 114.58 119.06 1xsi h GLU 362 Ca 0.15 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xsi h GLU 362 Cb 0.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1xsi h GLU 362 CO -0.16 0.54 -0.25 1.63 -1.00 0.00 0.00 179.01 179.77 1xsi n LYS 363 N -4.14 0.06 -2.36 2.33 5.02 -0.59 -4.95 118.16 113.53 1xsi n LYS 363 Ca -0.01 -0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.21 1xsi n LYS 363 Cb 0.38 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.90 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 1.48 0.34 0.80 0.72 0.00 -0.77 -4.96 105.19 102.79 1xsi n GLY 364 Ca 0.07 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.64 0.03 -4.20 1.61 4.01 -0.67 -4.94 117.16 109.35 1xsi n TYR 365 Ca -0.03 -0.02 -0.31 0.00 -0.16 0.00 0.00 57.90 57.38 1xsi n TYR 365 Cb 0.53 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 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 -1.96 3.41 0.19 7.72 1.43 -1.26 -1.34 118.68 126.87 1xsi s LEU 366 Ca 0.32 -0.16 -0.33 0.00 -1.03 0.00 0.00 54.13 52.94 1xsi s LEU 366 Cb 0.20 -2.09 -0.14 0.00 0.03 0.00 0.00 46.19 44.19 1xsi s LEU 366 CO 0.31 0.21 1.48 -0.11 0.23 0.00 0.00 176.35 178.47 1xsi n LEU 367 N 0.85 2.97 -4.63 1.79 7.94 0.11 -4.67 117.00 121.36 1xsi n LEU 367 Ca -0.12 1.11 -0.29 0.00 -1.11 0.00 0.00 56.01 55.60 1xsi n LEU 367 Cb 0.52 -1.41 -0.09 0.00 0.53 0.00 0.00 43.42 42.98 1xsi n LEU 367 CO 0.37 -0.45 -0.37 -0.54 -1.11 0.00 0.00 177.39 175.29 1xsi s LYS 368 N 0.28 2.32 0.74 1.96 1.02 -1.26 -2.36 119.74 122.43 1xsi s LYS 368 Ca 0.74 -1.00 -0.11 0.00 0.02 0.00 0.00 55.97 55.63 1xsi s LYS 368 Cb -0.69 -2.38 0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1xsi s LYS 368 CO 0.44 0.50 1.07 1.03 -0.92 0.00 0.00 175.35 177.47 1xsi s ARG 369 N -2.44 2.61 0.40 1.68 0.52 0.07 -1.14 118.95 120.65 1xsi s ARG 369 Ca 0.24 0.85 0.21 0.00 -0.52 0.00 0.00 55.73 56.51 1xsi s ARG 369 Cb -0.11 -1.96 1.19 0.00 0.52 0.00 0.00 34.95 34.59 1xsi s ARG 369 CO 0.16 -1.31 1.71 -1.35 0.02 0.00 0.00 175.30 174.53 1xsi h PRO 370 N -0.87 0.29 0.00 3.54 0.11 -1.82 -0.61 132.00 132.64 1xsi h PRO 370 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.57 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 1xsi n ASP 371 N -4.73 0.39 0.00 -2.05 5.68 -1.26 -4.90 116.55 109.68 1xsi n ASP 371 Ca 0.30 0.58 0.00 0.00 -0.50 0.00 0.00 54.79 55.17 1xsi n ASP 371 Cb 1.06 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1xsi n ASP 371 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsi n GLY 372 N 0.26 0.14 3.75 6.12 0.00 -0.24 -5.08 105.19 110.15 1xsi n GLY 372 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.07 3.55 0.31 1.61 1.04 -1.26 -4.76 113.70 112.12 1xsi s SER 373 Ca 0.00 1.21 -0.28 0.00 0.48 0.00 0.00 55.95 57.36 1xsi s SER 373 Cb 0.00 -1.88 -0.09 0.00 0.10 0.00 0.00 66.02 64.15 1xsi s SER 373 CO 0.00 -2.55 1.09 -0.76 0.98 0.00 0.00 173.24 171.99 1xsi s LEU 374 N -6.11 4.46 0.02 2.42 1.43 -1.26 -0.75 118.68 118.90 1xsi s LEU 374 Ca 0.63 2.22 -0.30 0.00 -1.03 0.00 0.00 54.13 55.65 1xsi s LEU 374 Cb -0.16 -3.75 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 1xsi s LEU 374 CO 0.55 -0.23 1.14 0.86 0.23 0.00 0.00 176.35 178.91 1xsi s TRP 375 N -1.27 3.45 0.06 0.29 -0.00 -0.99 -4.65 118.94 115.83 1xsi s TRP 375 Ca 0.48 1.39 -0.08 0.00 -0.00 0.00 0.00 56.10 57.89 1xsi s TRP 375 Cb -0.30 -3.34 -0.00 0.00 -0.00 0.00 0.00 33.47 29.82 1xsi s TRP 375 CO 0.38 -0.96 0.16 -0.65 -0.00 0.00 0.00 176.95 175.88 1xsi s GLN 376 N 1.25 0.73 0.35 5.86 -0.21 -1.26 -4.48 119.66 121.90 1xsi s GLN 376 Ca 0.56 -0.83 -0.14 0.00 0.02 0.00 0.00 55.36 54.97 1xsi s GLN 376 Cb -0.26 0.29 0.05 0.00 1.00 0.00 0.00 33.01 34.09 1xsi s GLN 376 CO 0.27 -0.21 0.73 -2.67 -2.12 0.00 0.00 175.29 171.29 1xsi n TRP 377 N 0.35 -2.19 0.78 0.91 2.14 -1.09 -4.90 117.44 113.45 1xsi n TRP 377 Ca -0.17 -1.65 0.09 0.00 2.07 0.00 0.00 57.50 57.84 1xsi n TRP 377 Cb 0.60 0.82 0.05 0.00 -0.81 0.00 0.00 31.31 31.97 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 -1.47 2.23 -4.75 -0.67 8.00 -1.25 1.00 116.55 119.63 1xsi n ASP 378 Ca -0.08 -1.61 -0.40 0.00 0.71 0.00 0.00 54.79 53.41 1xsi n ASP 378 Cb 0.54 0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 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 -1.76 4.69 0.00 -1.24 1.02 -1.26 -3.84 119.74 117.35 1xsi s LYS 379 Ca 0.19 1.69 0.00 0.00 0.02 0.00 0.00 55.97 57.86 1xsi s LYS 379 Cb 0.15 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1xsi s LYS 379 CO 0.32 0.26 0.00 1.87 -0.92 0.00 0.00 175.35 176.88 1xsi n TRP 380 N 1.63 0.00 -4.20 3.18 -0.00 -1.26 -4.78 117.44 112.00 1xsi n TRP 380 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.32 1xsi n TRP 380 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.65 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 0.91 -0.01 5.87 -1.52 -1.25 -5.04 119.66 118.63 1xsi s GLN 381 Ca 0.00 -1.11 -0.30 0.00 -1.95 0.00 0.00 55.36 52.00 1xsi s GLN 381 Cb 0.00 -0.81 -0.07 0.00 -0.22 0.00 0.00 33.01 31.91 1xsi s GLN 381 CO 0.00 0.16 1.69 -2.14 -0.25 0.00 0.00 175.29 174.76 1xsi s PRO 382 N -2.32 4.18 -1.37 2.91 0.02 -1.26 -3.40 135.00 133.76 1xsi s PRO 382 Ca 0.04 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 1xsi s PRO 382 Cb -0.07 -3.90 -0.00 0.00 0.02 0.00 0.00 34.50 30.56 1xsi s PRO 382 CO 0.02 -0.82 0.50 0.41 -0.33 0.00 0.00 177.00 176.77 1xsi n GLY 383 N 4.14 -0.26 3.72 0.52 0.00 -0.77 -1.89 105.19 110.66 1xsi n GLY 383 Ca 0.17 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -6.88 4.38 0.41 0.99 0.20 0.28 -3.72 118.68 114.35 1xsi s LEU 384 Ca 0.01 2.27 0.07 0.00 0.69 0.00 0.00 54.13 57.18 1xsi s LEU 384 Cb -0.01 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 42.12 1xsi s LEU 384 CO 0.87 -0.57 0.20 0.00 -0.29 0.00 0.00 176.35 176.56 1xsi s ALA 385 N 0.83 3.64 -0.08 5.97 0.00 -0.39 -2.66 121.76 129.07 1xsi s ALA 385 Ca 0.61 -2.08 0.04 0.00 0.00 0.00 0.00 51.96 50.53 1xsi s ALA 385 Cb -0.35 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 1xsi s ALA 385 CO 0.32 -0.18 -0.23 0.42 0.00 0.00 0.00 175.76 176.10 1xsi s ILE 386 N -2.59 1.94 0.05 0.00 1.01 -1.26 -1.17 121.20 119.18 1xsi s ILE 386 Ca 0.42 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.80 1xsi s ILE 386 Cb 0.03 -1.68 -0.08 0.00 0.01 0.00 0.00 42.46 40.75 1xsi s ILE 386 CO 0.23 0.54 1.68 -0.31 0.00 0.00 0.00 174.94 177.08 1xsi s TYR 387 N 0.25 2.25 -0.89 3.97 1.51 -0.80 0.09 117.35 123.73 1xsi s TYR 387 Ca -0.15 0.23 -0.25 0.00 -1.01 0.00 0.00 57.07 55.90 1xsi s TYR 387 Cb -0.17 -3.98 0.02 0.00 -0.11 0.00 0.00 41.96 37.72 1xsi s TYR 387 CO 0.07 -4.02 1.55 0.34 -1.11 0.00 0.00 175.55 172.38 1xsi s ASP 388 N 2.73 6.03 0.00 2.29 -1.08 -0.45 -4.72 116.67 121.46 1xsi s ASP 388 Ca 0.75 -0.88 0.19 0.00 -0.52 0.00 0.00 52.55 52.10 1xsi s ASP 388 Cb -0.39 -2.56 1.16 0.00 -1.46 0.00 0.00 42.92 39.67 1xsi s ASP 388 CO 0.33 -1.92 1.67 0.49 0.52 0.00 0.00 175.17 176.26 1xsi n PHE 389 N 10.39 0.00 1.32 -5.34 0.99 -1.26 -1.79 117.46 121.78 1xsi n PHE 389 Ca 0.26 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.81 1xsi n PHE 389 Cb 0.50 0.00 0.39 0.00 -1.00 0.00 0.00 39.48 39.37 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 -0.84 0.19 -3.67 4.37 -2.24 -1.26 -4.73 114.28 106.09 1xsi n THR 390 Ca 0.15 -0.30 -0.39 0.00 -2.27 0.00 0.00 64.05 61.24 1xsi n THR 390 Cb 0.07 0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.55 5.47 0.41 3.42 3.84 -0.74 -4.12 114.94 121.66 1xsi s ASN 391 Ca 0.31 -1.69 0.24 0.00 0.21 0.00 0.00 52.86 51.93 1xsi s ASN 391 Cb 0.17 -1.92 1.27 0.00 -0.55 0.00 0.00 41.25 40.22 1xsi s ASN 391 CO 0.25 -0.54 1.67 -0.65 -2.79 0.00 0.00 177.10 175.05 1xsi h PRO 392 N 8.28 0.21 -0.13 0.43 0.11 -1.86 0.68 132.00 139.70 1xsi h PRO 392 Ca -0.20 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.70 1xsi h PRO 392 Cb 1.07 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1xsi h PRO 392 CO 0.74 0.14 -0.71 -0.44 -0.21 0.00 0.00 178.00 177.51 1xsi h ASP 393 N 0.21 0.70 -0.35 -2.05 5.19 -1.94 -1.65 116.42 116.53 1xsi h ASP 393 Ca 0.74 -0.45 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 1xsi h ASP 393 Cb 2.09 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 41.38 1xsi h ASP 393 CO -0.42 1.21 0.17 0.00 -3.12 0.00 0.00 179.24 177.08 1xsi h ALA 394 N 0.78 0.45 -0.73 3.45 0.00 -1.28 0.41 119.26 122.35 1xsi h ALA 394 Ca -0.03 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xsi h ALA 394 Cb 1.31 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1xsi h ALA 394 CO 0.14 0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.79 1xsi h LYS 396 N 0.69 0.45 -0.71 0.00 3.64 -0.88 0.31 116.57 120.07 1xsi h LYS 396 Ca 0.34 -0.16 0.12 0.00 -1.27 0.00 0.00 60.65 59.69 1xsi h LYS 396 Cb 0.29 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 1xsi h LYS 396 CO -0.23 0.65 0.29 2.35 -2.27 0.00 0.00 179.45 180.23 1xsi h TRP 397 N 0.21 0.49 -0.04 1.91 7.01 -0.68 0.96 115.95 125.81 1xsi h TRP 397 Ca 0.07 0.03 -0.20 0.00 2.11 0.00 0.00 58.89 60.90 1xsi h TRP 397 Cb 0.46 -0.11 0.01 0.00 -2.10 0.00 0.00 29.16 27.42 1xsi h TRP 397 CO 0.04 0.09 -0.74 -0.92 -2.79 0.00 0.00 178.44 174.12 1xsi h TYR 398 N 0.45 0.83 -0.89 2.65 3.20 -1.05 -2.68 116.97 119.49 1xsi h TYR 398 Ca 0.38 -0.42 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1xsi h TYR 398 Cb 0.53 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1xsi h TYR 398 CO -0.16 1.24 0.54 0.00 -1.64 0.00 0.00 178.16 178.14 1xsi h ALA 399 N 0.41 1.29 -0.59 1.82 0.00 -0.69 -2.34 119.26 119.16 1xsi h ALA 399 Ca -0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1xsi h ALA 399 Cb 1.41 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1xsi h ALA 399 CO 0.15 0.62 0.27 -0.44 0.00 0.00 0.00 179.25 179.85 1xsi h ASP 400 N 1.22 0.79 -0.82 0.00 3.32 -0.73 -0.85 116.42 119.35 1xsi h ASP 400 Ca 0.32 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1xsi h ASP 400 Cb -0.07 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 1xsi h ASP 400 CO -0.06 0.71 0.54 0.11 -1.72 0.00 0.00 179.24 178.82 1xsi h LYS 401 N 0.81 0.98 -0.31 3.56 1.79 -1.21 0.04 116.57 122.23 1xsi h LYS 401 Ca 0.20 -0.06 -0.15 0.00 -2.18 0.00 0.00 60.65 58.46 1xsi h LYS 401 Cb 0.14 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1xsi h LYS 401 CO -0.02 0.65 -0.43 -0.07 -1.08 0.00 0.00 179.45 178.50 1xsi h LEU 402 N 1.01 0.82 -0.80 2.94 3.38 -0.88 -2.67 115.31 119.11 1xsi h LEU 402 Ca 0.33 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xsi h LEU 402 Cb 0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1xsi h LEU 402 CO -0.10 1.14 0.50 0.11 0.09 0.00 0.00 178.44 180.18 1xsi h LYS 403 N 0.62 1.07 -0.80 1.13 1.57 -0.53 -1.28 116.57 118.35 1xsi h LYS 403 Ca 0.04 -0.09 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1xsi h LYS 403 Cb 0.99 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 33.01 1xsi h LYS 403 CO 0.09 0.74 0.52 0.78 -0.57 0.00 0.00 179.45 181.01 1xsi h GLY 404 N 1.09 1.06 0.68 3.86 0.00 -0.80 -0.89 103.07 108.06 1xsi h GLY 404 Ca 0.29 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 1xsi h GLY 404 CO -0.06 0.18 -0.43 1.41 0.00 0.00 0.00 176.54 177.64 1xsi h LEU 405 N 0.74 0.42 -0.90 3.11 3.38 -1.03 -3.06 115.31 117.97 1xsi h LEU 405 Ca 0.37 -0.73 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1xsi h LEU 405 Cb 0.44 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1xsi h LEU 405 CO -0.14 1.09 0.59 0.58 0.09 0.00 0.00 178.44 180.64 1xsi h VAL 406 N -0.21 1.17 0.00 1.22 2.07 -0.89 -1.17 116.25 118.45 1xsi h VAL 406 Ca -0.05 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1xsi h VAL 406 Cb 1.13 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1xsi h VAL 406 CO 0.09 0.21 -0.02 0.00 0.02 0.00 0.00 177.57 177.87 1xsi h ALA 407 N 1.36 1.13 0.00 1.67 0.00 -1.21 0.23 119.26 122.43 1xsi h ALA 407 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xsi h ALA 407 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xsi h ALA 407 CO -0.11 0.02 -0.31 -0.12 0.00 0.00 0.00 179.25 178.74 1xsi n MET 408 N -3.29 0.11 0.00 0.00 0.00 -0.50 -4.92 117.12 108.52 1xsi n MET 408 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1xsi n MET 408 Cb 0.13 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 31.76 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 1.43 1.02 3.72 -5.12 0.00 0.80 -4.58 105.19 102.45 1xsi n GLY 409 Ca 0.05 0.00 -0.42 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 3.90 -0.12 1.61 1.01 -0.86 -4.63 120.40 119.31 1xsi s VAL 410 Ca 0.00 1.41 0.09 0.00 0.00 0.00 0.00 61.98 63.48 1xsi s VAL 410 Cb 0.00 -3.90 -0.24 0.00 0.00 0.00 0.00 36.38 32.24 1xsi s VAL 410 CO 0.00 0.13 0.37 0.47 0.00 0.00 0.00 175.10 176.07 1xsi n ASP 411 N 3.63 0.99 -3.30 3.32 8.00 -0.08 -4.20 116.55 124.90 1xsi n ASP 411 Ca 0.08 0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.67 1xsi n ASP 411 Cb 0.46 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 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 -3.06 0.21 -0.46 0.00 0.40 -1.25 -2.36 117.98 111.45 1xsi s PHE 413 Ca 0.27 -0.07 -0.25 0.00 -0.60 0.00 0.00 56.93 56.28 1xsi s PHE 413 Cb -0.01 -0.13 0.03 0.00 0.51 0.00 0.00 43.02 43.41 1xsi s PHE 413 CO 0.17 -0.01 0.90 0.21 0.70 0.00 0.00 175.22 177.19 1xsi s LYS 414 N -0.14 3.50 -0.89 0.44 2.20 -0.76 -1.62 119.74 122.46 1xsi s LYS 414 Ca -0.00 0.09 -0.20 0.00 -0.36 0.00 0.00 55.97 55.50 1xsi s LYS 414 Cb -0.01 -3.93 0.11 0.00 -1.51 0.00 0.00 37.83 32.48 1xsi s LYS 414 CO -0.00 -1.21 1.15 0.95 -0.36 0.00 0.00 175.35 175.87 1xsi s THR 415 N 3.67 4.53 0.59 3.43 -4.23 0.19 -1.84 115.64 121.99 1xsi s THR 415 Ca 0.35 -1.23 -0.13 0.00 -1.18 0.00 0.00 61.69 59.50 1xsi s THR 415 Cb -0.11 -4.80 -0.05 0.00 1.34 0.00 0.00 72.50 68.88 1xsi s THR 415 CO 0.25 -1.56 1.02 -0.62 -0.54 0.00 0.00 174.62 173.17 1xsi s ASP 416 N 3.84 6.30 0.80 3.99 -1.08 -0.71 -2.03 116.67 127.78 1xsi s ASP 416 Ca 0.33 1.48 0.00 0.00 -0.52 0.00 0.00 52.55 53.84 1xsi s ASP 416 Cb -0.06 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1xsi s ASP 416 CO -0.06 -0.82 0.00 0.49 0.52 0.00 0.00 175.17 175.30 1xsi n PHE 417 N -2.39 -0.42 0.00 -5.34 3.01 -1.26 -4.35 117.46 106.70 1xsi n PHE 417 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1xsi n PHE 417 Cb 0.54 0.12 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 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 0.51 0.11 1.37 0.00 -1.26 -4.07 105.19 101.85 1xsi n GLY 418 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.62 0.70 -2.25 1.61 0.00 -1.26 -4.33 120.64 113.50 1xsi n GLU 419 Ca 0.00 0.28 -0.42 0.00 0.00 0.00 0.00 57.16 57.02 1xsi n GLU 419 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 31.44 29.69 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 -3.27 3.94 -3.33 3.44 1.74 -1.26 -4.45 116.66 113.47 1xsi n ARG 420 Ca -0.25 -3.53 -0.39 0.00 -0.77 0.00 0.00 57.85 52.91 1xsi n ARG 420 Cb 1.05 -2.82 -0.08 0.00 -1.02 0.00 0.00 32.46 29.59 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 -0.17 5.15 0.61 0.55 -1.09 -1.26 -5.04 121.20 119.94 1xsi s ILE 421 Ca 0.44 0.76 -0.15 0.00 -2.23 0.00 0.00 60.65 59.46 1xsi s ILE 421 Cb 0.12 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1xsi s ILE 421 CO -0.02 0.17 1.06 -2.16 -1.23 0.00 0.00 174.94 172.76 1xsi s PRO 422 N 1.80 3.25 0.00 2.79 0.04 -1.26 -4.78 135.00 136.84 1xsi s PRO 422 Ca 0.19 1.17 0.14 0.00 0.04 0.00 0.00 61.00 62.54 1xsi s PRO 422 Cb -0.15 -2.02 -0.14 0.00 0.04 0.00 0.00 34.50 32.22 1xsi s PRO 422 CO 0.09 -0.86 0.63 0.25 0.04 0.00 0.00 177.00 177.15 1xsi n THR 423 N -2.21 0.00 -1.93 1.26 -2.24 -1.26 -4.70 114.28 103.19 1xsi n THR 423 Ca 0.09 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.28 1xsi n THR 423 Cb 0.53 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.20 7.63 -3.68 3.42 3.85 -1.26 -4.79 116.55 120.52 1xsi n ASP 424 Ca 0.03 -3.04 -0.13 0.00 -0.71 0.00 0.00 54.79 50.94 1xsi n ASP 424 Cb 0.23 -1.41 -0.06 0.00 -1.35 0.00 0.00 41.12 38.53 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 -0.33 0.00 -0.22 2.12 -7.23 -1.26 -4.47 120.40 109.01 1xsi s VAL 425 Ca 0.54 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.01 1xsi s VAL 425 Cb 0.17 -2.48 0.06 0.00 0.56 0.00 0.00 36.38 34.69 1xsi s VAL 425 CO -0.07 0.00 0.02 -1.58 -0.31 0.00 0.00 175.10 173.15 1xsi s GLN 426 N -3.61 0.91 0.49 4.82 0.74 -0.29 -4.64 119.66 118.08 1xsi s GLN 426 Ca 0.32 -0.63 -0.22 0.00 0.05 0.00 0.00 55.36 54.88 1xsi s GLN 426 Cb 0.02 -2.23 -0.06 0.00 1.10 0.00 0.00 33.01 31.84 1xsi s GLN 426 CO 0.16 -0.66 1.19 -1.58 -0.55 0.00 0.00 175.29 173.85 1xsi s TRP 427 N 1.72 2.72 0.29 1.67 0.52 -1.26 -4.22 118.94 120.37 1xsi s TRP 427 Ca -0.01 1.51 -0.03 0.00 0.02 0.00 0.00 56.10 57.59 1xsi s TRP 427 Cb -0.18 -3.44 0.61 0.00 -1.15 0.00 0.00 33.47 29.32 1xsi s TRP 427 CO -0.09 -1.78 1.58 0.35 0.02 0.00 0.00 176.95 177.03 1xsi h PHE 428 N 1.75 -0.17 -0.17 -1.98 3.57 -1.93 -0.44 116.94 117.57 1xsi h PHE 428 Ca -0.50 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1xsi h PHE 428 Cb 1.26 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.23 1xsi h PHE 428 CO 0.51 -0.39 0.00 -0.40 -2.23 0.00 0.00 178.31 175.80 1xsi n ASP 429 N -5.49 1.62 -1.28 0.41 5.75 -1.26 -4.90 116.55 111.40 1xsi n ASP 429 Ca 0.19 -1.72 -0.13 0.00 -0.01 0.00 0.00 54.79 53.13 1xsi n ASP 429 Cb 0.63 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 40.59 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 1.11 0.35 3.62 6.12 0.00 -0.17 -4.99 105.19 111.23 1xsi n GLY 430 Ca 0.16 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.29 0.13 -4.62 1.61 7.64 -1.26 -4.92 113.62 111.92 1xsi n SER 431 Ca -0.14 0.52 -0.43 0.00 1.01 0.00 0.00 58.87 59.83 1xsi n SER 431 Cb 0.55 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 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 -2.12 6.18 0.53 6.43 -1.08 -0.34 -4.59 116.67 121.68 1xsi s ASP 432 Ca 0.69 1.44 0.25 0.00 -0.52 0.00 0.00 52.55 54.41 1xsi s ASP 432 Cb -0.27 -2.53 1.39 0.00 -1.46 0.00 0.00 42.92 40.04 1xsi s ASP 432 CO 0.56 -1.45 2.00 -0.65 0.52 0.00 0.00 175.17 176.14 1xsi h PRO 433 N 11.59 0.01 -0.38 4.34 0.11 -1.89 -1.19 132.00 144.60 1xsi h PRO 433 Ca -0.33 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 1xsi h PRO 433 Cb 1.16 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1xsi h PRO 433 CO 1.02 0.00 -0.12 1.96 -0.21 0.00 0.00 178.00 180.65 1xsi h GLN 434 N 0.01 0.66 0.00 1.05 1.08 -1.90 -2.76 115.11 113.25 1xsi h GLN 434 Ca 0.25 -0.21 -0.16 0.00 -1.45 0.00 0.00 58.65 57.08 1xsi h GLN 434 Cb 0.99 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.34 1xsi h GLN 434 CO -0.00 0.76 -0.78 0.87 -0.95 0.00 0.00 178.83 178.73 1xsi h LYS 435 N 0.60 0.00 0.00 1.46 1.57 -1.53 -3.31 116.57 115.37 1xsi h LYS 435 Ca 0.11 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1xsi h LYS 435 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1xsi h LYS 435 CO 0.03 0.78 -0.26 0.52 -0.57 0.00 0.00 179.45 179.95 1xsi h MET 436 N 0.00 0.00 -0.19 3.15 2.86 -1.11 -2.98 114.93 116.67 1xsi h MET 436 Ca -0.01 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1xsi h MET 436 Cb 1.51 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.11 1xsi h MET 436 CO 0.10 0.26 -0.21 1.25 1.06 0.00 0.00 176.91 179.37 1xsi h HIS 437 N 0.00 -0.54 0.16 -0.22 -0.00 -1.58 -0.84 115.15 112.13 1xsi h HIS 437 Ca -0.00 0.03 -0.27 0.00 -0.00 0.00 0.00 60.37 60.13 1xsi h HIS 437 Cb 1.00 0.27 0.03 0.00 -0.00 0.00 0.00 27.41 28.70 1xsi h HIS 437 CO 0.00 -0.28 -1.14 -0.91 -0.00 0.00 0.00 177.93 175.60 1xsi h ASN 438 N -0.23 0.72 0.87 3.26 2.35 -1.76 -3.37 115.58 117.42 1xsi h ASN 438 Ca 0.12 -0.89 -0.04 0.00 -0.55 0.00 0.00 56.30 54.95 1xsi h ASN 438 Cb 0.41 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1xsi h ASN 438 CO -0.33 1.55 -0.17 -0.74 -1.65 0.00 0.00 177.43 176.09 1xsi h HIS 439 N 0.01 0.00 -0.98 1.19 2.76 -1.35 -1.49 115.15 115.28 1xsi h HIS 439 Ca -0.19 0.00 0.23 0.00 -2.20 0.00 0.00 60.37 58.21 1xsi h HIS 439 Cb 1.87 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.71 1xsi h HIS 439 CO 0.15 0.17 0.56 -0.92 -1.30 0.00 0.00 177.93 176.59 1xsi h TYR 440 N 0.00 0.95 -0.90 5.26 3.20 -1.32 -0.33 116.97 123.83 1xsi h TYR 440 Ca -0.00 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.99 1xsi h TYR 440 Cb 0.65 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.58 1xsi h TYR 440 CO 0.00 0.07 0.56 0.00 -1.64 0.00 0.00 178.16 177.15 1xsi h ALA 441 N 1.71 1.29 -0.04 1.82 0.00 -1.46 0.56 119.26 123.14 1xsi h ALA 441 Ca 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 1xsi h ALA 441 Cb 1.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xsi h ALA 441 CO -0.47 0.24 -0.00 -0.92 0.00 0.00 0.00 179.25 178.10 1xsi h TYR 442 N 0.96 0.09 -0.22 0.00 3.20 -1.24 -2.12 116.97 117.63 1xsi h TYR 442 Ca 0.42 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.24 1xsi h TYR 442 Cb 0.30 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1xsi h TYR 442 CO -0.03 0.39 0.03 0.82 -1.64 0.00 0.00 178.16 177.74 1xsi h ILE 443 N -0.24 1.23 0.16 1.81 1.08 -0.96 0.22 117.51 120.81 1xsi h ILE 443 Ca 0.01 -0.76 0.01 0.00 -0.39 0.00 0.00 64.86 63.73 1xsi h ILE 443 Cb 0.36 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.38 1xsi h ILE 443 CO 0.00 0.24 -0.47 0.22 -0.69 0.00 0.00 178.15 177.45 1xsi h TYR 444 N 0.16 -1.36 0.00 1.37 -0.00 -0.99 -0.53 116.97 115.61 1xsi h TYR 444 Ca 0.07 0.03 -0.05 0.00 -0.00 0.00 0.00 58.73 58.78 1xsi h TYR 444 Cb 0.33 0.57 -0.01 0.00 -0.00 0.00 0.00 36.73 37.62 1xsi h TYR 444 CO 0.02 -0.55 -0.24 -0.91 -0.00 0.00 0.00 178.16 176.49 1xsi h ASN 445 N -0.72 0.00 -0.44 -2.11 2.35 -1.22 -2.68 115.58 110.77 1xsi h ASN 445 Ca -0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1xsi h ASN 445 Cb 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1xsi h ASN 445 CO -0.23 0.24 -0.07 -0.08 -1.65 0.00 0.00 177.43 175.64 1xsi h GLU 446 N 0.00 0.82 -0.24 0.81 4.81 -0.33 -0.68 114.58 119.76 1xsi h GLU 446 Ca -0.00 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1xsi h GLU 446 Cb 0.43 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1xsi h GLU 446 CO 0.03 0.91 0.12 1.25 -0.73 0.00 0.00 179.01 180.59 1xsi h LEU 447 N 0.65 0.31 0.05 1.64 6.46 -0.78 -1.35 115.31 122.30 1xsi h LEU 447 Ca 0.12 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1xsi h LEU 447 Cb 0.59 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1xsi h LEU 447 CO 0.04 0.34 -0.03 0.58 -0.62 0.00 0.00 178.44 178.75 1xsi h VAL 448 N 0.27 1.04 -0.74 1.05 2.07 -1.38 -2.33 116.25 116.23 1xsi h VAL 448 Ca 0.08 -0.30 0.14 0.00 0.82 0.00 0.00 66.70 67.44 1xsi h VAL 448 Cb 0.11 1.24 -0.14 0.00 -1.52 0.00 0.00 31.29 30.98 1xsi h VAL 448 CO -0.01 0.08 -0.26 -0.25 0.02 0.00 0.00 177.57 177.14 1xsi h TRP 449 N -0.20 -0.67 0.00 1.57 2.91 -1.00 -2.15 115.95 116.41 1xsi h TRP 449 Ca -0.01 0.07 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 1xsi h TRP 449 Cb 0.18 0.41 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 1xsi h TRP 449 CO -0.03 -0.36 -0.26 -0.91 -1.03 0.00 0.00 178.44 175.85 1xsi h ASN 450 N -0.06 0.00 -0.76 2.65 2.35 -0.93 0.11 115.58 118.94 1xsi h ASN 450 Ca 0.32 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.04 1xsi h ASN 450 Cb 0.57 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 1xsi h ASN 450 CO -0.78 0.26 0.36 0.58 -1.65 0.00 0.00 177.43 176.19 1xsi h VAL 451 N 0.00 1.24 -0.06 2.81 2.07 -0.86 -0.16 116.25 121.29 1xsi h VAL 451 Ca -0.00 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1xsi h VAL 451 Cb 0.47 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1xsi h VAL 451 CO 0.03 0.29 -0.07 -0.07 0.02 0.00 0.00 177.57 177.78 1xsi h LEU 452 N 1.07 0.17 -0.54 2.57 4.07 -0.81 -2.02 115.31 119.82 1xsi h LEU 452 Ca 0.26 -0.50 0.11 0.00 0.08 0.00 0.00 57.88 57.83 1xsi h LEU 452 Cb 0.13 -0.05 -0.09 0.00 1.08 0.00 0.00 40.66 41.73 1xsi h LEU 452 CO -0.03 0.63 -0.02 0.11 -1.08 0.00 0.00 178.44 178.05 1xsi h LYS 453 N -0.29 0.10 0.00 1.13 1.57 -0.77 -0.97 116.57 117.33 1xsi h LYS 453 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xsi h LYS 453 Cb 0.59 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1xsi h LYS 453 CO 0.02 0.06 0.00 -0.44 -0.57 0.00 0.00 179.45 178.52 1xsi h ASP 454 N 0.10 0.00 0.00 0.86 5.19 -0.95 -2.97 116.42 118.65 1xsi h ASP 454 Ca 0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1xsi h ASP 454 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1xsi h ASP 454 CO -0.47 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.00 1xsi n THR 455 N -2.69 0.00 0.59 0.35 -2.24 -0.52 -4.77 114.28 105.00 1xsi n THR 455 Ca 0.01 0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1xsi n THR 455 Cb 0.25 -0.98 0.45 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.21 0.63 0.00 2.28 0.24 -0.51 -5.02 118.33 113.73 1xsi n VAL 456 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1xsi n VAL 456 Cb 0.00 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 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 0.78 -0.85 0.21 7.63 0.00 -0.49 -4.36 105.19 108.11 1xsi n GLY 457 Ca 0.04 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 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 0.41 0.00 1.61 4.81 -1.80 0.15 114.58 119.76 1xsi h GLU 458 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xsi h GLU 458 Cb 0.00 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1xsi h GLU 458 CO 0.00 0.27 -0.01 0.93 -0.73 0.00 0.00 179.01 179.47 1xsi h GLU 459 N 0.42 0.00 -0.01 1.92 3.07 -1.90 -1.63 114.58 116.45 1xsi h GLU 459 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1xsi h GLU 459 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1xsi h GLU 459 CO -0.23 0.01 -0.55 0.39 -1.40 0.00 0.00 179.01 177.23 1xsi n GLU 460 N -3.17 0.75 -2.13 2.33 -0.58 0.46 -3.63 120.64 114.68 1xsi n GLU 460 Ca -0.02 -0.58 -0.41 0.00 -0.42 0.00 0.00 57.16 55.73 1xsi n GLU 460 Cb 0.17 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 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 -2.65 3.58 -0.01 0.62 0.00 -0.62 -4.78 121.76 117.91 1xsi s ALA 461 Ca 0.17 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 53.03 1xsi s ALA 461 Cb 0.18 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.85 1xsi s ALA 461 CO 0.64 -0.63 0.65 0.54 0.00 0.00 0.00 175.76 176.97 1xsi s VAL 462 N 0.27 0.00 0.28 0.00 0.11 -1.26 -4.40 120.40 115.41 1xsi s VAL 462 Ca 0.59 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.67 1xsi s VAL 462 Cb -0.39 -0.99 -0.06 0.00 -1.53 0.00 0.00 36.38 33.41 1xsi s VAL 462 CO 0.38 -0.01 0.04 -0.76 -3.33 0.00 0.00 175.10 171.42 1xsi s LEU 463 N -1.52 2.12 -0.34 2.54 1.43 -0.01 -3.95 118.68 118.94 1xsi s LEU 463 Ca -0.08 -1.31 0.01 0.00 -1.03 0.00 0.00 54.13 51.71 1xsi s LEU 463 Cb -0.00 -0.30 0.09 0.00 0.03 0.00 0.00 46.19 46.00 1xsi s LEU 463 CO 0.05 -0.58 0.07 -0.36 0.23 0.00 0.00 176.35 175.76 1xsi s PHE 464 N -3.39 3.55 -0.17 0.29 0.40 -0.64 -3.67 117.98 114.36 1xsi s PHE 464 Ca 0.34 -2.51 -0.07 0.00 -0.60 0.00 0.00 56.93 54.08 1xsi s PHE 464 Cb 0.07 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.82 1xsi s PHE 464 CO 0.13 -0.92 0.08 0.00 0.70 0.00 0.00 175.22 175.21 1xsi s ALA 465 N 1.07 3.53 -0.04 5.36 0.00 0.13 -0.64 121.76 131.17 1xsi s ALA 465 Ca 0.04 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1xsi s ALA 465 Cb -0.20 -1.95 -0.25 0.00 0.00 0.00 0.00 23.12 20.72 1xsi s ALA 465 CO -0.05 0.27 0.69 -0.09 0.00 0.00 0.00 175.76 176.58 1xsi h ARG 466 N 6.31 0.11 -5.99 0.00 2.43 -1.66 -0.43 114.38 115.15 1xsi h ARG 466 Ca -0.42 -0.19 -0.58 0.00 -0.81 0.00 0.00 59.98 57.99 1xsi h ARG 466 Cb 1.17 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.69 1xsi h ARG 466 CO 0.69 0.82 -0.59 -1.54 -1.51 0.00 0.00 179.97 177.84 1xsi s SER 467 N -6.53 4.25 0.11 -3.80 1.04 -1.26 -4.50 113.70 103.01 1xsi s SER 467 Ca -0.09 -1.00 -0.25 0.00 0.48 0.00 0.00 55.95 55.09 1xsi s SER 467 Cb 0.08 -0.54 0.07 0.00 0.10 0.00 0.00 66.02 65.73 1xsi s SER 467 CO 0.82 -0.29 0.81 0.00 0.98 0.00 0.00 173.24 175.55 1xsi s ALA 468 N -2.53 -1.65 0.25 5.32 0.00 -1.22 -4.93 121.76 117.01 1xsi s ALA 468 Ca 0.36 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 1xsi s ALA 468 Cb 0.01 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.77 1xsi s ALA 468 CO 0.20 -0.84 0.49 0.45 0.00 0.00 0.00 175.76 176.06 1xsi s SER 469 N -2.72 -0.06 -0.12 0.00 0.15 -1.26 -3.64 113.70 106.06 1xsi s SER 469 Ca 0.06 -0.94 -0.38 0.00 0.70 0.00 0.00 55.95 55.39 1xsi s SER 469 Cb -0.02 0.60 -0.16 0.00 -1.71 0.00 0.00 66.02 64.73 1xsi s SER 469 CO -0.05 -1.16 1.60 0.52 1.20 0.00 0.00 173.24 175.35 1xsi n VAL 470 N -0.39 0.20 0.00 4.45 0.31 -1.26 -1.22 118.33 120.42 1xsi n VAL 470 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1xsi n VAL 470 Cb 0.62 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 3.56 2.91 0.04 2.92 0.00 -1.26 -4.59 105.19 108.77 1xsi n GLY 471 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.05 2.11 0.03 4.61 0.00 -0.36 -2.25 120.51 123.60 1xsi n ALA 472 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1xsi n ALA 472 Cb 0.00 -1.41 0.10 0.00 0.00 0.00 0.00 19.45 18.14 1xsi n ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsi n GLN 473 N -1.76 0.02 0.14 0.00 0.00 -1.26 -1.03 117.38 113.50 1xsi n GLN 473 Ca 0.05 0.46 0.13 0.00 0.00 0.00 0.00 57.00 57.64 1xsi n GLN 473 Cb 0.31 -1.67 0.49 0.00 0.00 0.00 0.00 30.24 29.38 1xsi n GLN 473 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1xsi h LYS 474 N 0.00 0.00 -2.30 2.61 1.57 -1.59 -3.34 116.57 113.53 1xsi h LYS 474 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1xsi h LYS 474 Cb 0.18 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.09 1xsi h LYS 474 CO 0.00 0.00 -0.38 1.19 -0.57 0.00 0.00 179.45 179.69 1xsi n PHE 475 N -2.35 3.58 -0.37 -1.35 3.72 -0.20 -3.88 117.46 116.61 1xsi n PHE 475 Ca 0.03 -3.87 -0.29 0.00 -0.05 0.00 0.00 57.45 53.27 1xsi n PHE 475 Cb 0.27 -0.64 0.26 0.00 -0.94 0.00 0.00 39.48 38.43 1xsi n PHE 475 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1xsi n PRO 476 N 0.54 -3.61 -2.93 -1.08 -0.04 -1.25 -4.70 135.00 121.94 1xsi n PRO 476 Ca 0.31 -1.05 -0.01 0.00 -0.04 0.00 0.00 63.50 62.70 1xsi n PRO 476 Cb 0.39 -1.95 -0.01 0.00 -0.04 0.00 0.00 33.50 31.89 1xsi n PRO 476 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1xsi n VAL 477 N -5.34 -6.21 -3.52 0.52 3.14 -1.24 -0.83 118.33 104.86 1xsi n VAL 477 Ca 0.08 1.15 -0.37 0.00 -2.96 0.00 0.00 64.34 62.24 1xsi n VAL 477 Cb 0.56 -4.44 -0.07 0.00 -1.06 0.00 0.00 33.84 28.83 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 -0.72 3.48 -0.14 1.45 3.76 -1.21 0.19 115.29 122.09 1xsi s HIS 478 Ca -0.07 0.63 -0.05 0.00 -0.15 0.00 0.00 55.06 55.42 1xsi s HIS 478 Cb 0.00 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 1xsi s HIS 478 CO 0.34 0.26 0.04 -0.46 -0.85 0.00 0.00 174.74 174.07 1xsi s TRP 479 N 0.39 3.24 0.37 1.40 -0.00 -0.17 -0.12 118.94 124.06 1xsi s TRP 479 Ca 0.17 0.12 0.37 0.00 -0.00 0.00 0.00 56.10 56.77 1xsi s TRP 479 Cb -0.13 -1.96 2.00 0.00 -0.00 0.00 0.00 33.47 33.38 1xsi s TRP 479 CO 0.05 0.30 2.15 0.78 -0.00 0.00 0.00 176.95 180.22 1xsi h GLY 480 N 6.02 0.00 0.00 5.86 0.00 -0.70 -3.42 103.07 110.83 1xsi h GLY 480 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1xsi h GLY 480 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 1xsi n GLY 481 N -1.05 -2.18 3.57 4.60 0.00 -1.26 -4.89 105.19 103.97 1xsi n GLY 481 Ca -0.02 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 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 -3.10 5.86 0.20 1.61 1.01 -1.26 -4.70 116.67 116.29 1xsi s ASP 482 Ca 0.00 0.32 0.10 0.00 0.71 0.00 0.00 52.55 53.67 1xsi s ASP 482 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1xsi s ASP 482 CO 0.00 -1.92 -0.12 0.00 0.21 0.00 0.00 175.17 173.34 1xsi s TYR 484 N -1.83 3.48 -1.32 0.00 2.02 -1.26 -0.52 117.35 117.92 1xsi s TYR 484 Ca 0.25 0.21 -0.09 0.00 -0.37 0.00 0.00 57.07 57.08 1xsi s TYR 484 Cb -0.08 -1.76 0.13 0.00 -0.40 0.00 0.00 41.96 39.85 1xsi s TYR 484 CO 0.15 0.33 2.09 0.00 -1.57 0.00 0.00 175.55 176.55 1xsi n ALA 485 N -1.22 5.89 -3.09 3.71 0.00 -1.26 -4.54 120.51 120.00 1xsi n ALA 485 Ca -0.06 -4.19 -0.09 0.00 0.00 0.00 0.00 53.44 49.10 1xsi n ALA 485 Cb 0.55 -2.98 -0.05 0.00 0.00 0.00 0.00 19.45 16.97 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 0.93 -0.11 0.14 0.00 2.20 -1.26 -4.65 114.94 112.18 1xsi s ASN 486 Ca 0.45 -0.74 -0.13 0.00 -0.94 0.00 0.00 52.86 51.50 1xsi s ASN 486 Cb 0.13 0.54 -0.01 0.00 -2.00 0.00 0.00 41.25 39.91 1xsi s ASN 486 CO -0.03 -1.04 1.55 1.88 -2.94 0.00 0.00 177.10 176.52 1xsi h TYR 487 N 2.32 0.93 -0.73 1.54 0.05 -1.90 -0.69 116.97 118.49 1xsi h TYR 487 Ca -0.29 -0.19 0.07 0.00 0.05 0.00 0.00 58.73 58.38 1xsi h TYR 487 Cb 1.25 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 38.70 1xsi h TYR 487 CO 0.38 0.93 0.40 0.93 -1.05 0.00 0.00 178.16 179.75 1xsi h GLU 488 N 0.66 0.69 -0.16 4.88 3.07 -1.95 0.67 114.58 122.44 1xsi h GLU 488 Ca 0.11 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 1xsi h GLU 488 Cb 0.61 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1xsi h GLU 488 CO 0.04 0.46 -0.41 1.03 -1.40 0.00 0.00 179.01 178.73 1xsi h SER 489 N 0.71 0.39 -0.64 1.42 0.87 -1.76 -1.24 113.55 113.30 1xsi h SER 489 Ca 0.34 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 1xsi h SER 489 Cb 0.27 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1xsi h SER 489 CO -0.22 0.77 0.08 -0.03 -0.53 0.00 0.00 176.83 176.90 1xsi h MET 490 N 0.31 1.09 -0.42 2.24 -1.53 -0.08 -2.07 114.93 114.47 1xsi h MET 490 Ca 0.03 -0.30 -0.02 0.00 -3.44 0.00 0.00 59.70 55.96 1xsi h MET 490 Cb 0.86 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.77 1xsi h MET 490 CO 0.07 1.01 0.17 0.00 0.14 0.00 0.00 176.91 178.31 1xsi h ALA 491 N 1.06 0.54 -0.67 0.39 0.00 -0.61 -2.08 119.26 117.89 1xsi h ALA 491 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xsi h ALA 491 Cb 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1xsi h ALA 491 CO 0.02 0.14 0.34 0.93 0.00 0.00 0.00 179.25 180.68 1xsi h GLU 492 N 0.53 0.94 -0.45 0.00 5.08 -1.08 -1.66 114.58 117.93 1xsi h GLU 492 Ca 0.14 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1xsi h GLU 492 Cb 0.18 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1xsi h GLU 492 CO -0.01 0.71 -0.25 1.03 -1.00 0.00 0.00 179.01 179.48 1xsi h SER 493 N 0.94 1.00 -0.54 1.42 0.87 -1.20 -1.64 113.55 114.40 1xsi h SER 493 Ca 0.24 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.34 1xsi h SER 493 Cb 0.07 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1xsi h SER 493 CO -0.03 1.19 0.12 0.25 -0.53 0.00 0.00 176.83 177.82 1xsi h LEU 494 N 0.82 0.83 -0.87 2.23 5.85 -0.96 -1.23 115.31 121.97 1xsi h LEU 494 Ca 0.10 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1xsi h LEU 494 Cb 0.83 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1xsi h LEU 494 CO 0.07 0.86 0.54 0.03 -0.34 0.00 0.00 178.44 179.60 1xsi h ARG 495 N 0.77 0.92 -0.32 1.25 3.08 -1.14 0.02 114.38 118.95 1xsi h ARG 495 Ca 0.17 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 1xsi h ARG 495 Cb 0.36 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1xsi h ARG 495 CO 0.00 0.61 -0.27 0.78 -1.07 0.00 0.00 179.97 180.02 1xsi h GLY 496 N 0.95 0.72 1.47 0.04 0.00 -0.70 -1.31 103.07 104.23 1xsi h GLY 496 Ca 0.39 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 1xsi h GLY 496 CO -0.20 0.57 -0.36 -1.33 0.00 0.00 0.00 176.54 175.22 1xsi h GLY 497 N 0.99 0.64 0.96 4.60 0.00 -0.63 -1.04 103.07 108.58 1xsi h GLY 497 Ca 0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1xsi h GLY 497 CO 0.06 0.56 0.13 1.41 0.00 0.00 0.00 176.54 178.70 1xsi h LEU 498 N 0.49 0.66 -0.58 3.11 3.38 -0.88 -2.99 115.31 118.50 1xsi h LEU 498 Ca 0.05 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1xsi h LEU 498 Cb 0.86 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1xsi h LEU 498 CO 0.07 0.70 0.10 0.28 0.09 0.00 0.00 178.44 179.69 1xsi h SER 499 N 0.59 0.92 -0.31 -0.43 0.02 -0.95 -2.08 113.55 111.31 1xsi h SER 499 Ca 0.14 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1xsi h SER 499 Cb 0.28 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1xsi h SER 499 CO -0.00 0.95 0.10 -0.29 -1.14 0.00 0.00 176.83 176.44 1xsi h ILE 500 N 0.86 1.17 -0.33 3.27 2.10 -1.21 -2.02 117.51 121.36 1xsi h ILE 500 Ca 0.18 -0.61 -0.10 0.00 1.08 0.00 0.00 64.86 65.41 1xsi h ILE 500 Cb 0.41 0.78 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 1xsi h ILE 500 CO 0.01 0.22 -0.22 1.23 -1.08 0.00 0.00 178.15 178.31 1xsi h GLY 501 N 0.77 0.69 1.09 8.18 0.00 -1.26 -1.64 103.07 110.90 1xsi h GLY 501 Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1xsi h GLY 501 CO -0.00 0.52 0.00 1.04 0.00 0.00 0.00 176.54 178.10 1xsi n LEU 502 N -4.12 0.00 -0.37 3.11 4.77 -0.81 -3.22 117.00 116.35 1xsi n LEU 502 Ca 0.00 0.04 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 1xsi n LEU 502 Cb 0.41 -0.04 0.12 0.00 -2.33 0.00 0.00 43.42 41.58 1xsi n LEU 502 CO 0.43 -0.01 0.59 -1.20 -1.33 0.00 0.00 177.39 175.87 1xsi n SER 503 N -1.04 2.69 0.00 -1.43 7.64 -0.69 -4.45 113.62 116.33 1xsi n SER 503 Ca 0.18 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.68 1xsi n SER 503 Cb 0.10 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 -0.35 0.82 3.69 0.23 0.00 -1.17 -4.89 105.19 103.51 1xsi n GLY 504 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.36 -0.28 1.61 0.08 -0.78 -4.71 117.98 115.26 1xsi s PHE 505 Ca 0.00 0.29 0.20 0.00 0.12 0.00 0.00 56.93 57.54 1xsi s PHE 505 Cb 0.00 -2.24 0.13 0.00 -0.57 0.00 0.00 43.02 40.34 1xsi s PHE 505 CO 0.00 0.15 1.36 0.78 -0.10 0.00 0.00 175.22 177.41 1xsi h GLY 506 N 7.18 0.00 -5.45 4.36 0.00 -1.87 -3.35 103.07 103.95 1xsi h GLY 506 Ca -0.39 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 1xsi h GLY 506 CO 0.70 0.00 -0.45 -1.36 0.00 0.00 0.00 176.54 175.43 1xsi s PHE 507 N -3.13 -0.26 -0.14 5.60 0.08 -1.26 -1.60 117.98 117.26 1xsi s PHE 507 Ca 0.03 0.64 -0.08 0.00 0.12 0.00 0.00 56.93 57.65 1xsi s PHE 507 Cb 0.07 0.08 0.05 0.00 -0.57 0.00 0.00 43.02 42.65 1xsi s PHE 507 CO 0.73 -0.14 0.34 -0.46 -0.10 0.00 0.00 175.22 175.60 1xsi s TRP 508 N 0.25 -0.47 0.40 0.36 -0.00 -1.26 -3.35 118.94 114.88 1xsi s TRP 508 Ca -0.01 1.06 0.06 0.00 -0.00 0.00 0.00 56.10 57.21 1xsi s TRP 508 Cb -0.03 0.17 -0.07 0.00 -0.00 0.00 0.00 33.47 33.54 1xsi s TRP 508 CO -0.01 -0.28 0.02 -1.54 -0.00 0.00 0.00 176.95 175.14 1xsi s SER 509 N 1.22 3.65 0.12 5.86 1.04 0.83 -3.04 113.70 123.37 1xsi s SER 509 Ca -0.08 -1.39 -0.25 0.00 0.48 0.00 0.00 55.95 54.70 1xsi s SER 509 Cb -0.08 -0.28 0.07 0.00 0.10 0.00 0.00 66.02 65.83 1xsi s SER 509 CO -0.10 -0.51 0.84 -1.38 0.98 0.00 0.00 173.24 173.08 1xsi s HIS 510 N -2.82 -0.27 -0.12 5.02 -3.43 -1.25 0.04 115.29 112.46 1xsi s HIS 510 Ca 0.33 0.02 -0.15 0.00 -0.80 0.00 0.00 55.06 54.45 1xsi s HIS 510 Cb 0.09 0.60 -0.05 0.00 -1.43 0.00 0.00 32.58 31.80 1xsi s HIS 510 CO 0.17 -0.80 0.38 -0.51 -2.00 0.00 0.00 174.74 171.97 1xsi s ASP 511 N -2.76 6.59 -0.18 7.38 1.11 -1.26 -3.25 116.67 124.31 1xsi s ASP 511 Ca 0.08 0.70 -0.29 0.00 0.18 0.00 0.00 52.55 53.22 1xsi s ASP 511 Cb -0.02 -2.23 -0.01 0.00 1.07 0.00 0.00 42.92 41.73 1xsi s ASP 511 CO -0.03 0.10 1.25 -0.63 1.18 0.00 0.00 175.17 177.04 1xsi s ILE 512 N 0.25 4.30 0.00 0.77 1.01 0.18 -3.42 121.20 124.28 1xsi s ILE 512 Ca 0.21 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1xsi s ILE 512 Cb -0.14 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1xsi s ILE 512 CO 0.08 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1xsi n GLY 513 N 3.64 0.73 0.00 6.18 0.00 -1.26 -3.75 105.19 110.73 1xsi n GLY 513 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.03 -0.11 0.00 -0.02 0.00 -1.22 -4.46 105.19 98.35 1xsi n GLY 514 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 0.04 0.00 -0.61 1.61 -0.00 0.32 -4.26 117.46 114.56 1xsi n PHE 515 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.14 1xsi n PHE 515 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 39.48 39.68 1xsi n PHE 515 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1xsi n GLU 516 N -0.15 -1.89 -1.14 -4.13 -0.58 -1.12 -1.48 120.64 110.15 1xsi n GLU 516 Ca 0.00 -0.53 0.08 0.00 -0.42 0.00 0.00 57.16 56.29 1xsi n GLU 516 Cb 0.00 -1.84 -0.05 0.00 -0.57 0.00 0.00 31.44 28.99 1xsi n GLU 516 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xsi n ASN 517 N -2.68 -6.17 -4.57 1.62 5.03 -1.26 -4.21 115.26 103.03 1xsi n ASN 517 Ca 0.01 1.25 -0.40 0.00 0.87 0.00 0.00 54.58 56.31 1xsi n ASN 517 Cb 0.60 -3.74 -0.09 0.00 -1.02 0.00 0.00 39.78 35.52 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 -4.43 5.19 0.17 3.41 2.01 -1.26 -4.76 115.64 115.97 1xsi s THR 518 Ca 0.00 0.23 -0.26 0.00 0.31 0.00 0.00 61.69 61.97 1xsi s THR 518 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 1xsi s THR 518 CO 0.00 0.04 0.80 0.00 -0.69 0.00 0.00 174.62 174.76 1xsi s ALA 519 N 1.99 3.43 0.37 7.40 0.00 -1.26 -4.90 121.76 128.79 1xsi s ALA 519 Ca 0.12 0.39 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 1xsi s ALA 519 Cb -0.16 -2.99 -0.12 0.00 0.00 0.00 0.00 23.12 19.85 1xsi s ALA 519 CO 0.11 0.28 1.12 -0.35 0.00 0.00 0.00 175.76 176.91 1xsi n PRO 520 N 1.62 1.63 -0.31 0.00 -0.04 -1.26 -4.86 135.00 131.78 1xsi n PRO 520 Ca -0.05 0.58 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1xsi n PRO 520 Cb 0.48 -2.11 0.24 0.00 -0.04 0.00 0.00 33.50 32.07 1xsi n PRO 520 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsi n ALA 521 N -0.06 0.41 -0.15 0.55 0.00 -1.26 -1.71 120.51 118.29 1xsi n ALA 521 Ca 0.08 0.97 -0.08 0.00 0.00 0.00 0.00 53.44 54.41 1xsi n ALA 521 Cb 0.37 -0.69 0.07 0.00 0.00 0.00 0.00 19.45 19.20 1xsi n ALA 521 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xsi h HIS 522 N 0.00 1.02 -0.28 0.00 2.07 -1.98 -1.22 115.15 114.76 1xsi h HIS 522 Ca 0.53 -0.19 -0.01 0.00 -2.85 0.00 0.00 60.37 57.85 1xsi h HIS 522 Cb 1.04 -0.26 -0.01 0.00 2.57 0.00 0.00 27.41 30.74 1xsi h HIS 522 CO -0.50 0.96 0.15 0.28 -3.07 0.00 0.00 177.93 175.74 1xsi h VAL 523 N 0.84 1.13 -0.50 6.12 2.07 -1.70 -1.99 116.25 122.23 1xsi h VAL 523 Ca 0.14 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.34 1xsi h VAL 523 Cb 0.61 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1xsi h VAL 523 CO 0.04 0.13 0.27 0.22 0.02 0.00 0.00 177.57 178.25 1xsi h TYR 524 N 0.33 0.50 -0.32 1.57 3.20 -0.97 -1.20 116.97 120.09 1xsi h TYR 524 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1xsi h TYR 524 Cb 0.08 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1xsi h TYR 524 CO -0.03 0.26 0.19 0.87 -1.64 0.00 0.00 178.16 177.82 1xsi h LYS 525 N 0.53 0.43 -0.61 1.82 6.56 -1.15 -1.34 116.57 122.82 1xsi h LYS 525 Ca 0.21 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.70 1xsi h LYS 525 Cb 0.08 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.63 1xsi h LYS 525 CO -0.13 0.32 0.13 0.00 -2.06 0.00 0.00 179.45 177.72 1xsi h ARG 526 N 0.41 0.98 -0.09 3.15 2.47 -1.09 -2.88 114.38 117.33 1xsi h ARG 526 Ca 0.11 -0.25 -0.08 0.00 -1.26 0.00 0.00 59.98 58.51 1xsi h ARG 526 Cb 0.00 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 1xsi h ARG 526 CO -0.02 0.91 -0.30 2.35 0.56 0.00 0.00 179.97 183.47 1xsi h TRP 527 N 0.89 0.19 -0.74 3.04 2.91 -1.13 -2.97 115.95 118.14 1xsi h TRP 527 Ca 0.19 -0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 1xsi h TRP 527 Cb 0.38 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.95 1xsi h TRP 527 CO 0.03 0.46 0.45 0.00 -1.03 0.00 0.00 178.44 178.34 1xsi h ALA 529 N 1.23 0.60 -0.22 0.00 0.00 -1.55 -1.53 119.26 117.80 1xsi h ALA 529 Ca 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xsi h ALA 529 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xsi h ALA 529 CO -0.05 0.29 0.07 0.35 0.00 0.00 0.00 179.25 179.91 1xsi h PHE 530 N 0.61 0.35 -0.17 0.00 3.57 -1.35 -2.54 116.94 117.42 1xsi h PHE 530 Ca 0.14 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1xsi h PHE 530 Cb 0.32 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1xsi h PHE 530 CO 0.02 0.42 -0.13 0.78 -2.23 0.00 0.00 178.31 177.17 1xsi h GLY 531 N 0.18 0.29 1.01 2.40 0.00 -0.39 -2.86 103.07 103.71 1xsi h GLY 531 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1xsi h GLY 531 CO -0.00 0.17 -0.65 1.04 0.00 0.00 0.00 176.54 177.09 1xsi n LEU 532 N -4.26 0.61 -1.92 3.11 7.99 -0.59 -3.20 117.00 118.73 1xsi n LEU 532 Ca -0.01 0.11 -0.20 0.00 -0.01 0.00 0.00 56.01 55.90 1xsi n LEU 532 Cb 0.27 -0.19 0.16 0.00 -0.11 0.00 0.00 43.42 43.55 1xsi n LEU 532 CO 0.38 0.02 1.07 0.18 -1.51 0.00 0.00 177.39 177.54 1xsi n LEU 533 N -1.88 6.03 -4.67 2.23 4.32 -0.96 -4.73 117.00 117.34 1xsi n LEU 533 Ca 0.04 -3.86 -0.25 0.00 -0.02 0.00 0.00 56.01 51.91 1xsi n LEU 533 Cb 0.40 -0.77 -0.09 0.00 -1.62 0.00 0.00 43.42 41.34 1xsi n LEU 533 CO 0.36 1.26 -0.24 -0.44 -1.22 0.00 0.00 177.39 177.11 1xsi s SER 534 N -1.91 4.20 0.13 -1.43 0.01 -1.15 -4.97 113.70 108.58 1xsi s SER 534 Ca 0.54 -1.12 -0.16 0.00 1.31 0.00 0.00 55.95 56.52 1xsi s SER 534 Cb 0.46 -0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 1xsi s SER 534 CO 0.05 -0.41 1.69 0.77 0.41 0.00 0.00 173.24 175.74 1xsi h SER 535 N 1.65 0.53 -4.29 2.44 4.64 -1.87 -3.43 113.55 113.21 1xsi h SER 535 Ca -0.43 -0.15 -0.52 0.00 -0.47 0.00 0.00 61.79 60.22 1xsi h SER 535 Cb 1.25 -0.14 -0.27 0.00 -0.31 0.00 0.00 62.40 62.93 1xsi h SER 535 CO 0.72 0.54 -0.82 -1.00 -0.87 0.00 0.00 176.83 175.39 1xsi s HIS 536 N -5.60 1.47 -0.05 4.77 3.76 -1.17 -4.74 115.29 113.74 1xsi s HIS 536 Ca -0.13 -0.31 -0.02 0.00 -0.15 0.00 0.00 55.06 54.44 1xsi s HIS 536 Cb 0.10 -0.92 0.03 0.00 1.11 0.00 0.00 32.58 32.90 1xsi s HIS 536 CO 0.75 0.01 0.06 -1.12 -0.85 0.00 0.00 174.74 173.59 1xsi s SER 537 N -0.72 1.19 -0.05 1.40 0.01 -1.26 -3.82 113.70 110.45 1xsi s SER 537 Ca 0.05 0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.38 1xsi s SER 537 Cb -0.07 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1xsi s SER 537 CO 0.00 -0.25 -0.08 -0.60 0.41 0.00 0.00 173.24 172.72 1xsi s ARG 538 N 2.16 1.20 -0.32 12.44 3.52 -1.20 -0.91 118.95 135.84 1xsi s ARG 538 Ca 0.05 -0.26 -0.19 0.00 -0.13 0.00 0.00 55.73 55.20 1xsi s ARG 538 Cb -0.12 -1.07 -0.01 0.00 -1.56 0.00 0.00 34.95 32.19 1xsi s ARG 538 CO -0.03 -0.01 0.55 -0.51 -0.81 0.00 0.00 175.30 174.49 1xsi s LEU 539 N 0.70 4.21 0.00 -0.88 1.43 0.41 0.47 118.68 125.02 1xsi s LEU 539 Ca -0.12 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1xsi s LEU 539 Cb -0.14 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1xsi s LEU 539 CO 0.02 -0.44 0.00 1.57 0.23 0.00 0.00 176.35 177.73 1xsi n HIS 540 N 5.75 0.00 -3.08 0.29 -0.00 -1.25 -1.15 115.22 115.78 1xsi n HIS 540 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 1xsi n HIS 540 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 1xsi n HIS 540 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xsi n GLY 541 N -0.16 2.37 0.08 1.57 0.00 -1.26 -4.50 105.19 103.29 1xsi n GLY 541 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 1xsi n GLY 541 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xsi h SER 542 N 0.00 0.00 0.00 1.61 0.87 -1.52 -2.70 113.55 111.81 1xsi h SER 542 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1xsi h SER 542 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1xsi h SER 542 CO 0.00 0.99 -0.49 2.29 -0.53 0.00 0.00 176.83 179.08 1xsi n LYS 543 N -4.56 0.00 -2.06 2.24 2.85 -1.26 -0.03 118.16 115.33 1xsi n LYS 543 Ca -0.15 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.77 1xsi n LYS 543 Cb 0.39 -0.74 0.02 0.00 -0.65 0.00 0.00 35.03 34.06 1xsi n LYS 543 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1xsi s SER 544 N -3.52 5.46 0.26 -5.58 1.04 -1.26 -4.55 113.70 105.55 1xsi s SER 544 Ca 0.00 2.14 -0.30 0.00 0.48 0.00 0.00 55.95 58.27 1xsi s SER 544 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.46 1xsi s SER 544 CO 0.00 -1.40 1.10 -0.31 0.98 0.00 0.00 173.24 173.61 1xsi s TYR 545 N -1.95 3.58 -0.37 5.02 1.51 -1.26 -4.77 117.35 119.11 1xsi s TYR 545 Ca 0.71 1.68 0.07 0.00 -1.01 0.00 0.00 57.07 58.51 1xsi s TYR 545 Cb -0.23 -3.29 0.60 0.00 -0.11 0.00 0.00 41.96 38.93 1xsi s TYR 545 CO 0.32 -0.57 1.70 0.54 -1.11 0.00 0.00 175.55 176.43 1xsi n ARG 546 N 1.41 2.13 -3.01 -0.62 5.12 -1.26 -4.87 116.66 115.56 1xsi n ARG 546 Ca -0.00 -3.10 -0.41 0.00 -1.93 0.00 0.00 57.85 52.41 1xsi n ARG 546 Cb 0.45 -2.01 -0.05 0.00 -1.16 0.00 0.00 32.46 29.69 1xsi n ARG 546 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1xsi s VAL 547 N -3.26 4.88 0.27 1.55 -7.23 -1.26 -4.87 120.40 110.49 1xsi s VAL 547 Ca 0.51 1.19 -0.00 0.00 -1.81 0.00 0.00 61.98 61.87 1xsi s VAL 547 Cb 0.44 -4.05 0.26 0.00 0.56 0.00 0.00 36.38 33.59 1xsi s VAL 547 CO 0.06 -0.11 1.70 -0.65 -0.31 0.00 0.00 175.10 175.79 1xsi h PRO 548 N 7.97 0.38 0.00 4.82 0.11 -1.91 0.37 132.00 143.74 1xsi h PRO 548 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1xsi h PRO 548 Cb 1.11 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1xsi h PRO 548 CO 0.83 0.25 0.00 -2.67 -0.21 0.00 0.00 178.00 176.21 1xsi n TRP 549 N -5.05 0.00 -0.05 0.65 2.14 -1.26 -1.54 117.44 112.33 1xsi n TRP 549 Ca 0.18 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.78 1xsi n TRP 549 Cb 0.54 -0.42 0.37 0.00 -0.81 0.00 0.00 31.31 30.99 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 2.57 1.60 0.19 -1.67 0.00 -1.29 -3.33 119.26 117.34 1xsi h ALA 550 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xsi h ALA 550 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xsi h ALA 550 CO 0.00 0.35 -0.09 1.88 0.00 0.00 0.00 179.25 181.38 1xsi h TYR 551 N 0.65 -0.24 -1.35 0.00 -1.99 -1.41 -3.50 116.97 109.13 1xsi h TYR 551 Ca 0.17 -0.01 0.34 0.00 2.00 0.00 0.00 58.73 61.24 1xsi h TYR 551 Cb -0.01 0.08 -0.12 0.00 2.00 0.00 0.00 36.73 38.67 1xsi h TYR 551 CO 0.00 -0.15 0.87 0.16 -0.00 0.00 0.00 178.16 179.04 1xsi s ASP 552 N -4.89 -0.04 0.26 3.88 1.47 -1.23 -4.96 116.67 111.16 1xsi s ASP 552 Ca -0.04 -0.11 0.01 0.00 1.18 0.00 0.00 52.55 53.59 1xsi s ASP 552 Cb 0.00 0.13 0.35 0.00 -0.34 0.00 0.00 42.92 43.06 1xsi s ASP 552 CO 0.11 -0.23 1.69 0.44 0.68 0.00 0.00 175.17 177.86 1xsi h ASP 553 N 2.00 0.56 -0.86 2.11 3.32 -1.87 -2.88 116.42 118.80 1xsi h ASP 553 Ca -0.31 -0.20 0.09 0.00 0.02 0.00 0.00 57.03 56.63 1xsi h ASP 553 Cb 1.20 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 1xsi h ASP 553 CO 0.29 0.80 0.56 -0.08 -1.72 0.00 0.00 179.24 179.09 1xsi h GLU 554 N 0.48 0.84 -0.44 3.56 4.81 -1.97 -1.15 114.58 120.72 1xsi h GLU 554 Ca 0.07 -0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 1xsi h GLU 554 Cb 0.70 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1xsi h GLU 554 CO 0.05 0.55 0.33 0.77 -0.73 0.00 0.00 179.01 179.99 1xsi h SER 555 N 0.86 0.00 -0.05 1.04 0.02 -1.77 -0.27 113.55 113.39 1xsi h SER 555 Ca 0.39 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.19 1xsi h SER 555 Cb 0.38 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.93 1xsi h SER 555 CO -0.16 0.00 -0.58 0.00 -1.14 0.00 0.00 176.83 174.95 1xsi h ASP 557 N 0.02 0.97 0.40 0.00 3.32 -0.97 -0.02 116.42 120.14 1xsi h ASP 557 Ca -0.06 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 1xsi h ASP 557 Cb 1.26 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1xsi h ASP 557 CO 0.12 0.93 -0.19 0.58 -1.72 0.00 0.00 179.24 178.96 1xsi h VAL 558 N 0.98 0.61 -0.64 -1.35 2.07 -1.15 0.52 116.25 117.29 1xsi h VAL 558 Ca 0.21 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1xsi h VAL 558 Cb 0.35 0.71 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 1xsi h VAL 558 CO 0.00 0.04 0.11 0.58 0.02 0.00 0.00 177.57 178.32 1xsi h VAL 559 N -0.65 0.57 0.05 2.57 2.07 -1.41 -1.87 116.25 117.57 1xsi h VAL 559 Ca -0.06 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1xsi h VAL 559 Cb 0.48 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1xsi h VAL 559 CO 0.09 0.04 -0.02 -0.09 0.02 0.00 0.00 177.57 177.61 1xsi h ARG 560 N 0.22 -0.06 -0.40 1.57 2.43 -0.48 -1.24 114.38 116.42 1xsi h ARG 560 Ca 0.34 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.53 1xsi h ARG 560 Cb 0.54 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1xsi h ARG 560 CO -0.46 0.10 0.25 0.35 -1.51 0.00 0.00 179.97 178.70 1xsi h PHE 561 N -0.21 0.48 0.00 2.20 3.04 0.31 -1.69 116.94 121.07 1xsi h PHE 561 Ca -0.01 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 1xsi h PHE 561 Cb 0.19 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1xsi h PHE 561 CO -0.03 0.29 -0.55 0.74 -2.02 0.00 0.00 178.31 176.75 1xsi h PHE 562 N 0.52 0.00 0.28 0.41 0.04 -1.30 -2.09 116.94 114.80 1xsi h PHE 562 Ca 0.15 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1xsi h PHE 562 Cb -0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1xsi h PHE 562 CO -0.06 0.36 -0.13 1.15 -0.60 0.00 0.00 178.31 179.03 1xsi h THR 563 N 0.00 0.74 -0.59 -1.55 2.02 -1.02 -2.48 112.91 110.02 1xsi h THR 563 Ca -0.02 -0.65 0.11 0.00 0.77 0.00 0.00 66.41 66.62 1xsi h THR 563 Cb 1.30 1.08 -0.12 0.00 -1.74 0.00 0.00 68.15 68.67 1xsi h THR 563 CO 0.04 0.13 -0.26 1.56 0.37 0.00 0.00 175.52 177.36 1xsi h GLN 564 N -0.74 -0.10 -0.20 6.66 4.20 -1.34 -2.00 115.11 121.59 1xsi h GLN 564 Ca -0.04 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.73 1xsi h GLN 564 Cb 0.49 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 1xsi h GLN 564 CO 0.06 -0.07 -0.19 1.25 -0.67 0.00 0.00 178.83 179.22 1xsi h LEU 565 N -0.10 -0.60 -1.00 1.46 5.85 -1.41 -1.75 115.31 117.76 1xsi h LEU 565 Ca 0.26 0.11 0.08 0.00 0.84 0.00 0.00 57.88 59.18 1xsi h LEU 565 Cb 0.52 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1xsi h LEU 565 CO -0.66 -0.23 0.64 0.50 -0.34 0.00 0.00 178.44 178.34 1xsi h LYS 566 N -0.21 1.09 -0.52 1.25 3.64 -0.96 0.70 116.57 121.57 1xsi h LYS 566 Ca 0.12 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 1xsi h LYS 566 Cb 0.39 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1xsi h LYS 566 CO -0.32 0.72 -0.15 0.00 -2.27 0.00 0.00 179.45 177.43 1xsi h ARG 568 N 0.88 0.00 -0.00 0.00 3.08 -0.45 -2.50 114.38 115.39 1xsi h ARG 568 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1xsi h ARG 568 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1xsi h ARG 568 CO 0.05 0.29 -0.07 -1.33 -1.07 0.00 0.00 179.97 177.84 1xsi n MET 569 N -3.86 0.43 -0.08 0.04 2.81 0.15 0.05 117.12 116.67 1xsi n MET 569 Ca -0.02 -0.08 0.16 0.00 -1.81 0.00 0.00 57.70 55.95 1xsi n MET 569 Cb 0.37 -1.50 0.57 0.00 -0.71 0.00 0.00 33.22 31.95 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 0.20 0.26 -0.65 0.03 2.86 -1.02 0.11 114.93 116.71 1xsi h MET 570 Ca 0.00 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1xsi h MET 570 Cb 0.35 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1xsi h MET 570 CO 0.00 0.17 0.07 -1.35 1.06 0.00 0.00 176.91 176.86 1xsi h PRO 571 N 0.26 1.10 -0.00 -0.22 0.11 -1.75 0.18 132.00 131.69 1xsi h PRO 571 Ca 0.30 -0.31 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1xsi h PRO 571 Cb 0.80 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1xsi h PRO 571 CO -0.06 1.03 0.00 -0.92 -0.21 0.00 0.00 178.00 177.83 1xsi h TYR 572 N 1.02 0.00 -0.10 0.65 3.20 -1.08 -3.28 116.97 117.39 1xsi h TYR 572 Ca 0.19 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1xsi h TYR 572 Cb 0.48 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1xsi h TYR 572 CO 0.04 0.26 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.70 1xsi h LEU 573 N -0.25 0.21 -2.35 2.82 4.07 -0.61 -2.41 115.31 116.78 1xsi h LEU 573 Ca 0.00 -0.41 0.02 0.00 0.08 0.00 0.00 57.88 57.57 1xsi h LEU 573 Cb 0.26 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1xsi h LEU 573 CO 0.00 0.58 0.07 0.22 -1.08 0.00 0.00 178.44 178.23 1xsi h TYR 574 N -0.16 0.00 0.12 1.13 3.20 -0.79 0.12 116.97 120.60 1xsi h TYR 574 Ca 0.02 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.60 1xsi h TYR 574 Cb 0.50 0.00 0.03 0.00 1.54 0.00 0.00 36.73 38.80 1xsi h TYR 574 CO 0.07 0.00 -1.22 -0.09 -1.64 0.00 0.00 178.16 175.28 1xsi h ARG 575 N 0.00 0.61 -0.38 1.82 9.65 -1.55 -2.63 114.38 121.90 1xsi h ARG 575 Ca 0.03 -0.82 -0.05 0.00 -1.10 0.00 0.00 59.98 58.04 1xsi h ARG 575 Cb 0.17 0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 1xsi h ARG 575 CO -0.00 1.37 0.03 0.93 2.80 0.00 0.00 179.97 185.11 1xsi h GLU 576 N 0.25 0.58 -0.04 0.20 4.39 -0.80 -2.51 114.58 116.65 1xsi h GLU 576 Ca -0.19 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 1xsi h GLU 576 Cb 1.90 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.45 1xsi h GLU 576 CO 0.23 0.58 -0.08 0.00 -1.16 0.00 0.00 179.01 178.59 1xsi h ALA 577 N 1.48 1.81 0.00 3.43 0.00 -0.68 -2.10 119.26 123.20 1xsi h ALA 577 Ca 0.12 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1xsi h ALA 577 Cb 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xsi h ALA 577 CO 0.01 0.15 -0.64 0.00 0.00 0.00 0.00 179.25 178.76 1xsi h ALA 578 N 1.87 0.74 -0.91 0.00 0.00 -1.08 -2.32 119.26 117.56 1xsi h ALA 578 Ca 0.01 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.39 1xsi h ALA 578 Cb 0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1xsi h ALA 578 CO 0.01 0.80 0.60 0.00 0.00 0.00 0.00 179.25 180.66 1xsi h ARG 579 N 0.00 1.08 -0.58 0.00 3.08 -1.19 0.07 114.38 116.84 1xsi h ARG 579 Ca -0.01 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1xsi h ARG 579 Cb 1.30 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1xsi h ARG 579 CO 0.08 0.72 0.14 0.00 -1.07 0.00 0.00 179.97 179.84 1xsi h ALA 580 N 1.48 0.76 -0.43 0.04 0.00 -1.24 0.31 119.26 120.18 1xsi h ALA 580 Ca 0.37 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1xsi h ALA 580 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1xsi h ALA 580 CO -0.12 0.47 -0.15 -0.97 0.00 0.00 0.00 179.25 178.47 1xsi h ASN 581 N 0.83 0.81 0.37 0.00 -0.00 -1.18 -0.98 115.58 115.44 1xsi h ASN 581 Ca 0.18 -0.26 -0.32 0.00 -0.00 0.00 0.00 56.30 55.90 1xsi h ASN 581 Cb 0.35 -0.22 0.01 0.00 -0.00 0.00 0.00 38.32 38.46 1xsi h ASN 581 CO 0.00 0.96 -1.53 0.00 -0.00 0.00 0.00 177.43 176.87 1xsi h ALA 582 N 1.11 0.11 0.00 1.57 0.00 -0.74 -3.42 119.26 117.89 1xsi h ALA 582 Ca 0.11 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1xsi h ALA 582 Cb 0.66 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1xsi h ALA 582 CO 0.05 0.98 0.00 0.54 0.00 0.00 0.00 179.25 180.82 1xsi n ARG 583 N -3.56 0.82 -1.04 0.00 1.74 0.11 -5.01 116.66 109.72 1xsi n ARG 583 Ca -0.17 -0.15 -0.01 0.00 -0.77 0.00 0.00 57.85 56.75 1xsi n ARG 583 Cb 1.06 -0.55 -0.01 0.00 -1.02 0.00 0.00 32.46 31.95 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 0.16 0.49 3.63 -0.13 0.00 -0.37 -2.75 105.19 106.22 1xsi n GLY 584 Ca 0.00 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.89 4.23 0.53 2.61 2.01 -1.24 -4.78 115.64 117.10 1xsi s THR 585 Ca 0.00 1.40 -0.20 0.00 0.31 0.00 0.00 61.69 63.21 1xsi s THR 585 Cb 0.00 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.24 1xsi s THR 585 CO 0.00 -0.45 1.11 -2.16 -0.69 0.00 0.00 174.62 172.42 1xsi s PRO 586 N 4.01 3.45 0.20 4.92 0.04 -1.26 -2.78 135.00 143.57 1xsi s PRO 586 Ca 0.54 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 1xsi s PRO 586 Cb -0.16 -2.03 0.12 0.00 0.04 0.00 0.00 34.50 32.47 1xsi s PRO 586 CO 0.21 -0.76 1.73 0.52 0.04 0.00 0.00 177.00 178.74 1xsi h MET 587 N 1.26 1.11 -4.48 4.56 2.86 -1.61 -3.40 114.93 115.24 1xsi h MET 587 Ca -0.50 -0.24 -0.72 0.00 -2.06 0.00 0.00 59.70 56.18 1xsi h MET 587 Cb 1.25 -0.16 -0.21 0.00 0.06 0.00 0.00 31.60 32.54 1xsi h MET 587 CO 0.57 0.95 -0.33 1.41 1.06 0.00 0.00 176.91 180.58 1xsi s MET 588 N -5.40 3.00 -0.06 1.72 -2.45 -1.26 -1.28 119.30 113.57 1xsi s MET 588 Ca -0.12 -1.14 0.03 0.00 -1.25 0.00 0.00 55.69 53.21 1xsi s MET 588 Cb 0.15 -4.06 -0.03 0.00 1.25 0.00 0.00 34.83 32.14 1xsi s MET 588 CO 0.84 -0.92 -0.12 1.03 1.05 0.00 0.00 175.02 176.89 1xsi s ARG 589 N 1.78 2.59 0.65 4.11 0.52 -0.10 -4.77 118.95 123.72 1xsi s ARG 589 Ca 0.06 -0.65 -0.17 0.00 -0.52 0.00 0.00 55.73 54.44 1xsi s ARG 589 Cb -0.21 -2.44 -0.01 0.00 0.52 0.00 0.00 34.95 32.81 1xsi s ARG 589 CO 0.09 0.63 1.22 0.00 0.02 0.00 0.00 175.30 177.25 1xsi s ALA 590 N -0.73 2.39 0.28 2.13 0.00 -1.26 -0.81 121.76 123.76 1xsi s ALA 590 Ca 0.11 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 1xsi s ALA 590 Cb -0.11 -3.47 0.39 0.00 0.00 0.00 0.00 23.12 19.93 1xsi s ALA 590 CO 0.01 -1.45 1.88 0.52 0.00 0.00 0.00 175.76 176.72 1xsi h MET 591 N 0.44 1.00 -0.23 0.00 0.00 -1.81 -1.21 114.93 113.11 1xsi h MET 591 Ca -0.49 -0.13 0.03 0.00 0.00 0.00 0.00 59.70 59.10 1xsi h MET 591 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 31.60 32.70 1xsi h MET 591 CO 0.53 0.77 0.16 0.00 0.00 0.00 0.00 176.91 178.36 1xsi h MET 592 N 0.99 0.16 -0.11 1.72 -0.00 -1.83 0.29 114.93 116.16 1xsi h MET 592 Ca 0.24 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.70 59.82 1xsi h MET 592 Cb 0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 1xsi h MET 592 CO -0.03 0.11 -0.37 1.98 -0.00 0.00 0.00 176.91 178.60 1xsi h MET 593 N 0.17 0.44 0.01 -0.10 1.85 -1.58 -2.77 114.93 112.95 1xsi h MET 593 Ca 0.10 -0.33 -0.20 0.00 -0.61 0.00 0.00 59.70 58.66 1xsi h MET 593 Cb 0.18 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.26 1xsi h MET 593 CO -0.02 0.96 -0.88 1.49 -0.40 0.00 0.00 176.91 178.05 1xsi h GLU 594 N 0.02 0.15 -2.13 0.39 4.57 -1.23 -3.38 114.58 112.96 1xsi h GLU 594 Ca -0.02 -0.17 -0.59 0.00 -1.18 0.00 0.00 59.36 57.41 1xsi h GLU 594 Cb 1.00 0.05 -0.41 0.00 -0.16 0.00 0.00 28.75 29.23 1xsi h GLU 594 CO 0.08 0.94 -0.76 1.19 -1.18 0.00 0.00 179.01 179.27 1xsi n PHE 595 N -3.62 2.37 0.29 0.92 3.01 0.96 -4.98 117.46 116.42 1xsi n PHE 595 Ca -0.03 -3.96 0.17 0.00 1.01 0.00 0.00 57.45 54.63 1xsi n PHE 595 Cb 0.82 -0.49 0.90 0.00 -0.01 0.00 0.00 39.48 40.70 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 4.08 0.00 -0.37 -1.08 0.13 -1.67 -2.56 132.00 130.53 1xsi h PRO 596 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1xsi h PRO 596 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1xsi h PRO 596 CO 0.72 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.28 1xsi n ASP 597 N -3.43 3.46 -4.58 1.44 8.00 -1.26 -4.87 116.55 115.31 1xsi n ASP 597 Ca -0.02 -1.99 -0.43 0.00 0.71 0.00 0.00 54.79 53.06 1xsi n ASP 597 Cb 0.17 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.50 6.53 0.41 -2.24 -1.08 -0.97 -4.93 116.67 112.90 1xsi s ASP 598 Ca 0.38 0.25 0.29 0.00 -0.52 0.00 0.00 52.55 52.96 1xsi s ASP 598 Cb 0.23 -2.42 1.34 0.00 -1.46 0.00 0.00 42.92 40.61 1xsi s ASP 598 CO 0.32 -0.85 1.88 1.55 0.52 0.00 0.00 175.17 178.58 1xsi h PRO 599 N 8.69 0.00 0.00 4.34 0.13 -1.89 -2.15 132.00 141.12 1xsi h PRO 599 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1xsi h PRO 599 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xsi h PRO 599 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 1xsi n ALA 600 N -1.91 2.04 1.13 -0.56 0.00 -1.26 -3.64 120.51 116.31 1xsi n ALA 600 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1xsi n ALA 600 Cb 0.19 -1.40 0.20 0.00 0.00 0.00 0.00 19.45 18.45 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 1.50 1.05 -0.12 0.00 3.32 -1.74 -2.95 116.42 117.47 1xsi h ASP 602 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xsi h ASP 602 Cb 0.60 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1xsi h ASP 602 CO 0.00 0.68 0.00 -1.22 -1.72 0.00 0.00 179.24 176.98 1xsi n TYR 603 N -4.49 0.15 -1.95 4.55 4.01 -1.26 -4.87 117.16 113.30 1xsi n TYR 603 Ca 0.15 -0.21 -0.42 0.00 -0.16 0.00 0.00 57.90 57.25 1xsi n TYR 603 Cb 0.17 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 -0.83 4.35 0.00 7.72 1.43 -1.12 -4.83 118.68 125.40 1xsi s LEU 604 Ca 0.13 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1xsi s LEU 604 Cb 0.08 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1xsi s LEU 604 CO 0.11 -0.94 0.23 -0.90 0.23 0.00 0.00 176.35 175.08 1xsi n ASP 605 N 6.98 0.23 -0.83 2.29 3.85 -1.26 -4.50 116.55 123.31 1xsi n ASP 605 Ca 0.17 -1.05 0.09 0.00 -0.71 0.00 0.00 54.79 53.30 1xsi n ASP 605 Cb 0.42 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 40.32 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 -0.02 1.90 -4.17 0.11 1.74 -1.26 -4.47 116.66 110.49 1xsi n ARG 606 Ca 0.00 -1.83 -0.12 0.00 -0.77 0.00 0.00 57.85 55.14 1xsi n ARG 606 Cb 0.27 -1.38 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.40 1.31 0.17 5.56 -2.07 -1.26 -4.05 119.66 117.92 1xsi s GLN 607 Ca 0.26 -1.59 -0.24 0.00 -1.82 0.00 0.00 55.36 51.97 1xsi s GLN 607 Cb 0.17 0.31 0.06 0.00 -1.09 0.00 0.00 33.01 32.46 1xsi s GLN 607 CO 0.24 -0.46 0.88 1.52 -1.32 0.00 0.00 175.29 176.16 1xsi s TYR 608 N -4.07 -0.17 -0.19 9.60 -0.85 -0.52 -4.61 117.35 116.54 1xsi s TYR 608 Ca 0.36 -0.15 -0.09 0.00 -0.52 0.00 0.00 57.07 56.67 1xsi s TYR 608 Cb 0.05 0.65 -0.05 0.00 0.38 0.00 0.00 41.96 42.99 1xsi s TYR 608 CO 0.12 -0.91 0.11 -1.64 -1.52 0.00 0.00 175.55 171.72 1xsi s MET 609 N -3.45 4.04 -0.54 -3.49 -1.94 0.01 -0.61 119.30 113.32 1xsi s MET 609 Ca 0.11 -0.25 -0.11 0.00 -1.71 0.00 0.00 55.69 53.73 1xsi s MET 609 Cb -0.02 -3.33 0.14 0.00 2.01 0.00 0.00 34.83 33.62 1xsi s MET 609 CO 0.02 0.35 0.45 -1.17 -0.01 0.00 0.00 175.02 174.66 1xsi s LEU 610 N 0.20 5.94 0.00 -0.03 2.96 0.17 -0.92 118.68 127.00 1xsi s LEU 610 Ca 0.07 -2.03 0.00 0.00 -0.22 0.00 0.00 54.13 51.95 1xsi s LEU 610 Cb -0.11 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1xsi s LEU 610 CO -0.01 -0.71 0.00 0.61 -1.32 0.00 0.00 176.35 174.92 1xsi n GLY 611 N 4.80 -1.80 0.34 7.98 0.00 -0.40 -3.48 105.19 112.63 1xsi n GLY 611 Ca -0.06 -1.31 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.04 0.87 -0.00 1.61 3.32 -1.92 -3.38 116.42 116.89 1xsi h ASP 612 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1xsi h ASP 612 Cb 0.04 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1xsi h ASP 612 CO 0.00 0.70 -0.07 0.59 -1.72 0.00 0.00 179.24 178.74 1xsi n ASN 613 N -4.37 1.03 -4.09 6.45 3.02 -1.26 -4.97 115.26 111.07 1xsi n ASN 613 Ca 0.07 -1.02 -0.28 0.00 -0.03 0.00 0.00 54.58 53.33 1xsi n ASN 613 Cb 0.09 0.32 -0.17 0.00 -0.61 0.00 0.00 39.78 39.42 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 -0.75 1.51 -0.24 2.41 0.11 -1.23 -1.74 120.40 120.47 1xsi s VAL 614 Ca 0.05 -0.69 -0.13 0.00 -2.93 0.00 0.00 61.98 58.28 1xsi s VAL 614 Cb 0.04 -1.34 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 1xsi s VAL 614 CO 0.10 0.44 0.27 -0.32 -3.33 0.00 0.00 175.10 172.26 1xsi s MET 615 N 0.63 4.07 -0.10 1.54 1.75 -0.21 0.42 119.30 127.40 1xsi s MET 615 Ca -0.14 -0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.23 1xsi s MET 615 Cb -0.16 -3.58 -0.01 0.00 2.84 0.00 0.00 34.83 33.91 1xsi s MET 615 CO 0.04 -0.07 -0.17 0.54 -0.65 0.00 0.00 175.02 174.72 1xsi s VAL 616 N 1.42 2.76 -0.35 10.11 0.11 0.22 -1.28 120.40 133.40 1xsi s VAL 616 Ca 0.12 -0.79 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1xsi s VAL 616 Cb -0.15 -2.11 0.10 0.00 -1.53 0.00 0.00 36.38 32.70 1xsi s VAL 616 CO 0.07 0.55 0.09 0.00 -3.33 0.00 0.00 175.10 172.49 1xsi s ALA 617 N 0.03 2.39 0.88 1.54 0.00 -0.56 -1.43 121.76 124.61 1xsi s ALA 617 Ca -0.06 -2.28 -0.11 0.00 0.00 0.00 0.00 51.96 49.52 1xsi s ALA 617 Cb -0.15 -1.85 0.12 0.00 0.00 0.00 0.00 23.12 21.25 1xsi s ALA 617 CO 0.05 -1.72 1.15 -2.14 0.00 0.00 0.00 175.76 173.09 1xsi s PRO 618 N 1.05 1.27 -0.16 0.00 0.02 -1.26 -3.76 135.00 132.17 1xsi s PRO 618 Ca 0.11 1.54 -0.06 0.00 0.02 0.00 0.00 61.00 62.61 1xsi s PRO 618 Cb -0.19 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1xsi s PRO 618 CO -0.13 -2.44 0.02 0.08 -0.33 0.00 0.00 177.00 174.20 1xsi s VAL 619 N -2.60 4.43 -0.18 3.83 1.01 -1.26 -4.98 120.40 120.64 1xsi s VAL 619 Ca 0.67 -0.17 0.15 0.00 0.00 0.00 0.00 61.98 62.64 1xsi s VAL 619 Cb -0.23 -2.97 0.40 0.00 0.00 0.00 0.00 36.38 33.59 1xsi s VAL 619 CO 0.56 0.48 1.27 0.49 0.00 0.00 0.00 175.10 177.91 1xsi n PHE 620 N 3.42 0.38 -4.18 5.22 3.72 -1.26 -4.83 117.46 119.93 1xsi n PHE 620 Ca -0.17 -1.17 -0.17 0.00 -0.05 0.00 0.00 57.45 55.89 1xsi n PHE 620 Cb 0.52 -0.26 -0.12 0.00 -0.94 0.00 0.00 39.48 38.69 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 -3.00 1.10 0.09 4.37 -4.23 -1.26 -4.89 115.64 107.82 1xsi s THR 621 Ca 0.37 -1.43 -0.22 0.00 -1.18 0.00 0.00 61.69 59.23 1xsi s THR 621 Cb 0.33 -1.19 -0.12 0.00 1.34 0.00 0.00 72.50 72.86 1xsi s THR 621 CO 0.02 -0.33 1.70 -0.08 -0.54 0.00 0.00 174.62 175.40 1xsi h GLU 622 N 4.03 0.11 0.00 3.99 4.81 -1.94 -3.10 114.58 122.48 1xsi h GLU 622 Ca -0.40 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1xsi h GLU 622 Cb 1.19 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1xsi h GLU 622 CO 0.44 0.12 -0.03 0.00 -0.73 0.00 0.00 179.01 178.81 1xsi h ALA 623 N 0.98 1.07 0.00 2.92 0.00 -1.97 -3.46 119.26 118.79 1xsi h ALA 623 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsi h ALA 623 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xsi h ALA 623 CO -0.01 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1xsi n GLY 624 N -0.52 0.93 3.75 0.00 0.00 -1.17 -4.70 105.19 103.48 1xsi n GLY 624 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.16 7.24 -0.16 1.61 1.01 -1.26 -0.28 116.67 122.67 1xsi s ASP 625 Ca 0.00 2.23 -0.13 0.00 0.71 0.00 0.00 52.55 55.36 1xsi s ASP 625 Cb 0.00 -2.62 0.05 0.00 1.01 0.00 0.00 42.92 41.36 1xsi s ASP 625 CO 0.00 -0.19 0.42 0.54 0.21 0.00 0.00 175.17 176.15 1xsi s VAL 626 N -0.83 -0.01 -0.02 -1.27 0.11 -0.51 -4.41 120.40 113.46 1xsi s VAL 626 Ca 0.47 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.61 1xsi s VAL 626 Cb -0.32 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 1xsi s VAL 626 CO 0.39 0.01 -0.21 -1.10 -3.33 0.00 0.00 175.10 170.86 1xsi s GLN 627 N 0.61 2.21 -0.02 1.54 -0.21 -1.26 -1.07 119.66 121.46 1xsi s GLN 627 Ca -0.03 -0.87 -0.22 0.00 0.02 0.00 0.00 55.36 54.25 1xsi s GLN 627 Cb -0.05 -2.16 0.05 0.00 1.00 0.00 0.00 33.01 31.85 1xsi s GLN 627 CO -0.04 0.58 0.48 -0.59 -2.12 0.00 0.00 175.29 173.60 1xsi s PHE 628 N -0.70 -0.40 -0.08 0.91 -0.12 -0.23 -4.97 117.98 112.39 1xsi s PHE 628 Ca 0.11 0.64 -0.11 0.00 -0.05 0.00 0.00 56.93 57.51 1xsi s PHE 628 Cb -0.10 0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.49 1xsi s PHE 628 CO 0.00 -0.51 0.27 -0.47 -0.05 0.00 0.00 175.22 174.47 1xsi s TYR 629 N -1.41 3.62 -0.12 3.49 5.04 -1.26 -0.25 117.35 126.45 1xsi s TYR 629 Ca -0.11 0.72 0.01 0.00 -2.44 0.00 0.00 57.07 55.24 1xsi s TYR 629 Cb -0.02 -2.16 -0.01 0.00 0.35 0.00 0.00 41.96 40.11 1xsi s TYR 629 CO 0.06 0.59 -0.15 -0.51 -1.34 0.00 0.00 175.55 174.20 1xsi s LEU 630 N -0.72 2.62 1.35 6.97 1.02 0.26 -4.98 118.68 125.20 1xsi s LEU 630 Ca 0.19 -0.36 -0.22 0.00 0.02 0.00 0.00 54.13 53.76 1xsi s LEU 630 Cb -0.14 -1.58 0.34 0.00 0.02 0.00 0.00 46.19 44.83 1xsi s LEU 630 CO 0.07 0.17 1.02 -2.84 0.02 0.00 0.00 176.35 174.79 1xsi s PRO 631 N 0.30 -2.36 0.37 1.29 0.02 -1.26 0.29 135.00 133.65 1xsi s PRO 631 Ca -0.11 -0.06 -0.28 0.00 0.02 0.00 0.00 61.00 60.57 1xsi s PRO 631 Cb -0.16 -1.46 -0.11 0.00 0.02 0.00 0.00 34.50 32.78 1xsi s PRO 631 CO 0.06 -4.46 1.42 -1.91 -0.33 0.00 0.00 177.00 171.78 1xsi n GLU 632 N -5.30 2.47 0.00 5.54 2.13 -1.26 -1.06 120.64 123.17 1xsi n GLU 632 Ca 0.14 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.83 1xsi n GLU 632 Cb 0.60 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.76 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 0.56 1.70 3.28 8.31 0.00 -1.26 -4.79 105.19 112.99 1xsi n GLY 633 Ca 0.03 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.40 2.61 0.38 1.61 3.52 -1.26 0.59 118.95 125.01 1xsi s ARG 634 Ca 0.00 -1.42 -0.13 0.00 -0.13 0.00 0.00 55.73 54.06 1xsi s ARG 634 Cb 0.00 -3.75 -0.07 0.00 -1.56 0.00 0.00 34.95 29.56 1xsi s ARG 634 CO 0.00 -0.92 0.77 -1.58 -0.81 0.00 0.00 175.30 172.77 1xsi s TRP 635 N 1.43 3.43 -0.06 5.12 0.52 0.76 -3.49 118.94 126.65 1xsi s TRP 635 Ca 0.03 1.14 0.02 0.00 0.02 0.00 0.00 56.10 57.31 1xsi s TRP 635 Cb -0.22 -2.50 0.01 0.00 -1.15 0.00 0.00 33.47 29.61 1xsi s TRP 635 CO 0.02 -0.05 -0.12 0.99 0.02 0.00 0.00 176.95 177.81 1xsi s THR 636 N -2.25 1.12 0.12 2.01 2.01 -0.64 -0.50 115.64 117.52 1xsi s THR 636 Ca 0.53 -0.48 -0.31 0.00 0.31 0.00 0.00 61.69 61.74 1xsi s THR 636 Cb -0.10 -1.02 -0.09 0.00 0.01 0.00 0.00 72.50 71.29 1xsi s THR 636 CO 0.26 0.35 1.56 -2.28 -0.69 0.00 0.00 174.62 173.82 1xsi s HIS 637 N 0.61 2.90 0.31 4.92 2.46 -0.05 -0.10 115.29 126.35 1xsi s HIS 637 Ca -0.14 0.60 0.08 0.00 0.47 0.00 0.00 55.06 56.07 1xsi s HIS 637 Cb -0.15 -3.89 0.89 0.00 -0.13 0.00 0.00 32.58 29.30 1xsi s HIS 637 CO 0.03 -3.35 1.66 1.25 -2.47 0.00 0.00 174.74 171.86 1xsi h LEU 638 N 7.36 0.28 0.00 8.88 5.85 -1.26 -1.04 115.31 135.39 1xsi h LEU 638 Ca -0.42 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1xsi h LEU 638 Cb 1.20 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1xsi h LEU 638 CO 0.91 -0.13 -0.17 -2.67 -0.34 0.00 0.00 178.44 176.04 1xsi n TRP 639 N -5.12 0.00 0.14 1.25 2.14 -1.26 -4.69 117.44 109.89 1xsi n TRP 639 Ca 0.26 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.93 1xsi n TRP 639 Cb 0.82 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 31.37 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 -3.48 115.15 110.93 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 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xsi h HIS 640 CO 0.00 0.11 0.00 -1.71 0.86 0.00 0.00 177.93 177.19 1xsi n ASN 641 N -2.90 -1.31 -4.78 2.45 5.15 -0.39 -4.94 115.26 108.54 1xsi n ASN 641 Ca 0.01 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.66 1xsi n ASN 641 Cb 0.59 -1.85 0.05 0.00 -0.53 0.00 0.00 39.78 38.03 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 -2.26 5.17 0.12 1.20 -4.77 -1.26 -4.59 116.67 110.28 1xsi s ASP 642 Ca 0.00 1.92 0.10 0.00 -3.30 0.00 0.00 52.55 51.28 1xsi s ASP 642 Cb 0.00 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.25 1xsi s ASP 642 CO 0.00 -1.59 -0.25 -1.61 0.70 0.00 0.00 175.17 172.43 1xsi s GLU 643 N -4.24 1.54 -0.01 2.11 2.02 -1.26 -0.87 118.70 117.99 1xsi s GLU 643 Ca 0.65 -1.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.35 1xsi s GLU 643 Cb -0.19 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.08 1xsi s GLU 643 CO 0.43 0.46 0.02 -0.51 0.02 0.00 0.00 175.26 175.69 1xsi s LEU 644 N -1.99 1.89 0.28 1.80 1.43 0.34 -4.98 118.68 117.44 1xsi s LEU 644 Ca 0.15 0.04 -0.28 0.00 -1.03 0.00 0.00 54.13 53.01 1xsi s LEU 644 Cb -0.10 0.07 -0.09 0.00 0.03 0.00 0.00 46.19 46.09 1xsi s LEU 644 CO 0.07 -0.01 0.94 -1.81 0.23 0.00 0.00 176.35 175.76 1xsi s ASP 645 N 0.05 7.49 0.16 2.29 1.01 -1.26 -0.17 116.67 126.25 1xsi s ASP 645 Ca -0.00 1.89 0.00 0.00 0.71 0.00 0.00 52.55 55.15 1xsi s ASP 645 Cb -0.01 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1xsi s ASP 645 CO -0.00 0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.04 1xsi n GLY 646 N 1.03 1.26 2.34 0.21 0.00 0.20 -4.58 105.19 105.65 1xsi n GLY 646 Ca -0.00 -2.01 -0.17 0.00 0.00 0.00 0.00 46.02 43.84 1xsi n GLY 646 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xsi n SER 647 N -2.19 -4.99 -3.71 1.61 2.88 0.84 -4.73 113.62 103.34 1xsi n SER 647 Ca 0.00 0.02 -0.08 0.00 -1.33 0.00 0.00 58.87 57.49 1xsi n SER 647 Cb 0.00 -4.08 -0.02 0.00 -0.75 0.00 0.00 64.21 59.36 1xsi n SER 647 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsi s ARG 648 N -4.71 1.48 0.32 -1.46 1.70 -0.72 -4.98 118.95 110.57 1xsi s ARG 648 Ca 0.00 -0.75 -0.12 0.00 -0.47 0.00 0.00 55.73 54.39 1xsi s ARG 648 Cb 0.00 0.55 -0.08 0.00 -0.57 0.00 0.00 34.95 34.85 1xsi s ARG 648 CO 0.00 -0.67 0.68 -1.58 -1.08 0.00 0.00 175.30 172.65 1xsi s TRP 649 N -3.70 3.42 0.05 5.89 0.52 -1.26 -0.58 118.94 123.28 1xsi s TRP 649 Ca 0.08 1.04 0.03 0.00 0.02 0.00 0.00 56.10 57.28 1xsi s TRP 649 Cb -0.04 -2.41 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 1xsi s TRP 649 CO -0.00 0.10 -0.10 -1.01 0.02 0.00 0.00 176.95 175.95 1xsi s HIS 650 N -2.04 0.89 -0.07 -1.98 3.76 0.66 -4.95 115.29 111.55 1xsi s HIS 650 Ca 0.51 -0.45 0.04 0.00 -0.15 0.00 0.00 55.06 55.01 1xsi s HIS 650 Cb -0.10 -0.52 -0.00 0.00 1.11 0.00 0.00 32.58 33.07 1xsi s HIS 650 CO 0.23 -0.02 -0.21 0.21 -0.85 0.00 0.00 174.74 174.09 1xsi s LYS 651 N -1.51 2.43 0.12 1.40 2.20 -1.26 -1.06 119.74 122.05 1xsi s LYS 651 Ca -0.06 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 1xsi s LYS 651 Cb -0.09 -1.96 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 1xsi s LYS 651 CO 0.01 0.23 0.11 -0.65 -0.36 0.00 0.00 175.35 174.69 1xsi s GLN 652 N 0.18 0.91 -0.10 4.03 -0.21 -0.23 -5.01 119.66 119.24 1xsi s GLN 652 Ca -0.11 -1.28 0.03 0.00 0.02 0.00 0.00 55.36 54.03 1xsi s GLN 652 Cb -0.15 0.28 0.01 0.00 1.00 0.00 0.00 33.01 34.15 1xsi s GLN 652 CO 0.05 -0.27 -0.19 -1.14 -2.12 0.00 0.00 175.29 171.62 1xsi s GLN 653 N -3.98 2.59 -0.05 2.91 -0.44 -1.26 -1.42 119.66 118.00 1xsi s GLN 653 Ca 0.17 -0.71 0.05 0.00 -2.50 0.00 0.00 55.36 52.37 1xsi s GLN 653 Cb 0.06 -2.05 -0.01 0.00 -1.64 0.00 0.00 33.01 29.37 1xsi s GLN 653 CO -0.02 0.06 -0.22 -1.01 0.50 0.00 0.00 175.29 174.60 1xsi s HIS 654 N 0.63 2.11 0.89 1.67 3.76 0.62 -4.97 115.29 120.00 1xsi s HIS 654 Ca -0.13 -0.61 -0.15 0.00 -0.15 0.00 0.00 55.06 54.02 1xsi s HIS 654 Cb -0.16 -1.39 0.22 0.00 1.11 0.00 0.00 32.58 32.35 1xsi s HIS 654 CO 0.04 -0.19 0.95 0.41 -0.85 0.00 0.00 174.74 175.10 1xsi n GLY 655 N 3.01 -2.15 0.00 -2.22 0.00 -1.26 -4.34 105.19 98.24 1xsi n GLY 655 Ca -0.18 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.38 1xsi n GLY 655 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xsi n PHE 656 N -3.98 0.00 0.66 1.61 3.72 -1.26 -2.00 117.46 116.21 1xsi n PHE 656 Ca 0.13 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.64 1xsi n PHE 656 Cb 0.46 -0.36 0.26 0.00 -0.94 0.00 0.00 39.48 38.91 1xsi n PHE 656 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1xsi n LEU 657 N -1.36 2.81 -4.15 4.37 7.94 -1.26 -4.86 117.00 120.48 1xsi n LEU 657 Ca 0.10 -1.19 -0.10 0.00 -1.11 0.00 0.00 56.01 53.71 1xsi n LEU 657 Cb 0.23 -0.19 -0.10 0.00 0.53 0.00 0.00 43.42 43.88 1xsi n LEU 657 CO 0.20 0.60 -0.36 -0.55 -1.11 0.00 0.00 177.39 176.17 1xsi s SER 658 N -1.52 0.84 0.09 1.96 0.15 -0.85 -5.03 113.70 109.33 1xsi s SER 658 Ca 0.36 -1.06 -0.26 0.00 0.70 0.00 0.00 55.95 55.68 1xsi s SER 658 Cb 0.21 0.16 0.08 0.00 -1.71 0.00 0.00 66.02 64.76 1xsi s SER 658 CO 0.29 -0.56 0.90 -1.48 1.20 0.00 0.00 173.24 173.60 1xsi s LEU 659 N -3.03 -0.28 -0.12 3.45 2.34 -1.26 -4.67 118.68 115.10 1xsi s LEU 659 Ca 0.14 -0.21 -0.29 0.00 0.06 0.00 0.00 54.13 53.83 1xsi s LEU 659 Cb 0.07 2.14 -0.06 0.00 -0.56 0.00 0.00 46.19 47.77 1xsi s LEU 659 CO -0.04 -0.80 2.11 -2.84 -1.06 0.00 0.00 176.35 173.73 1xsi s PRO 660 N -3.26 3.53 -0.33 1.48 0.02 -1.25 -4.91 135.00 130.29 1xsi s PRO 660 Ca 0.08 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 1xsi s PRO 660 Cb -0.01 -4.29 0.11 0.00 0.02 0.00 0.00 34.50 30.33 1xsi s PRO 660 CO -0.03 -1.65 0.14 0.08 -0.33 0.00 0.00 177.00 175.20 1xsi s VAL 661 N 6.77 0.81 -0.10 3.83 1.01 -1.26 -1.49 120.40 129.97 1xsi s VAL 661 Ca 0.95 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1xsi s VAL 661 Cb -0.36 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1xsi s VAL 661 CO 0.37 -0.75 -0.13 -0.31 0.00 0.00 0.00 175.10 174.29 1xsi s TYR 662 N 1.39 2.79 -0.15 5.22 2.02 -0.41 -0.68 117.35 127.53 1xsi s TYR 662 Ca 0.12 -0.45 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 1xsi s TYR 662 Cb -0.19 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 1xsi s TYR 662 CO -0.19 -0.05 0.13 0.08 -1.57 0.00 0.00 175.55 173.94 1xsi s VAL 663 N -0.05 5.38 0.84 0.71 1.01 0.85 -1.04 120.40 128.11 1xsi s VAL 663 Ca -0.03 0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 1xsi s VAL 663 Cb -0.14 -3.39 0.10 0.00 0.00 0.00 0.00 36.38 32.95 1xsi s VAL 663 CO 0.04 0.54 1.12 -0.13 0.00 0.00 0.00 175.10 176.67 1xsi s ARG 664 N -0.40 1.62 0.82 2.72 0.52 -0.71 -1.61 118.95 121.91 1xsi s ARG 664 Ca 0.11 1.39 -0.12 0.00 -0.52 0.00 0.00 55.73 56.59 1xsi s ARG 664 Cb -0.12 -1.81 0.08 0.00 0.52 0.00 0.00 34.95 33.63 1xsi s ARG 664 CO 0.01 -2.16 1.12 0.16 0.02 0.00 0.00 175.30 174.46 1xsi s ASP 665 N -2.97 4.33 -1.46 0.23 3.84 -1.23 -4.00 116.67 115.42 1xsi s ASP 665 Ca 0.65 1.08 -0.10 0.00 -0.00 0.00 0.00 52.55 54.18 1xsi s ASP 665 Cb -0.20 -1.73 0.04 0.00 -1.38 0.00 0.00 42.92 39.65 1xsi s ASP 665 CO 0.56 -2.05 0.94 0.59 -0.00 0.00 0.00 175.17 175.21 1xsi n ASN 666 N -3.45 -5.58 -4.29 2.11 3.02 -0.52 -4.98 115.26 101.57 1xsi n ASN 666 Ca 0.07 -0.56 -0.30 0.00 -0.03 0.00 0.00 54.58 53.76 1xsi n ASN 666 Cb 0.58 -4.44 -0.16 0.00 -0.61 0.00 0.00 39.78 35.15 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 -3.25 1.98 -0.19 3.41 2.01 -1.18 -4.48 115.64 113.94 1xsi s THR 667 Ca 0.54 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1xsi s THR 667 Cb -0.26 -1.64 0.04 0.00 0.01 0.00 0.00 72.50 70.65 1xsi s THR 667 CO 0.67 0.55 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.80 1xsi s LEU 668 N -0.61 2.26 -0.02 4.42 2.96 -1.26 -1.06 118.68 125.37 1xsi s LEU 668 Ca 0.10 -0.82 0.04 0.00 -0.22 0.00 0.00 54.13 53.23 1xsi s LEU 668 Cb -0.10 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1xsi s LEU 668 CO -0.01 -0.10 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.59 1xsi s LEU 669 N 1.36 2.93 -0.29 -0.68 2.96 0.07 -4.23 118.68 120.80 1xsi s LEU 669 Ca 0.00 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 1xsi s LEU 669 Cb -0.15 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1xsi s LEU 669 CO -0.09 0.31 0.14 0.00 -1.32 0.00 0.00 176.35 175.40 1xsi s ALA 670 N -0.86 3.31 0.08 5.97 0.00 -1.26 -0.37 121.76 128.63 1xsi s ALA 670 Ca 0.14 -1.26 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 1xsi s ALA 670 Cb -0.11 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 1xsi s ALA 670 CO 0.04 -0.72 0.33 -0.51 0.00 0.00 0.00 175.76 174.89 1xsi s LEU 671 N 1.65 4.32 0.52 0.00 1.02 -0.04 -2.93 118.68 123.23 1xsi s LEU 671 Ca 0.06 0.57 -0.00 0.00 0.02 0.00 0.00 54.13 54.78 1xsi s LEU 671 Cb -0.16 -3.01 0.02 0.00 0.02 0.00 0.00 46.19 43.05 1xsi s LEU 671 CO 0.07 0.15 0.75 -0.83 0.02 0.00 0.00 176.35 176.51 1xsi s GLY 672 N -2.10 1.68 -0.16 -3.19 0.00 0.11 -0.90 107.32 102.76 1xsi s GLY 672 Ca 0.35 -1.12 0.16 0.00 0.00 0.00 0.00 44.72 44.10 1xsi s GLY 672 CO 0.21 -0.88 1.54 1.16 0.00 0.00 0.00 173.10 175.13 1xsi n ASN 673 N -2.28 4.51 -4.16 1.64 6.94 -1.26 -4.78 115.26 115.86 1xsi n ASN 673 Ca 0.05 -2.77 -0.31 0.00 -0.02 0.00 0.00 54.58 51.52 1xsi n ASN 673 Cb 0.59 -0.56 -0.17 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.30 2.94 -0.11 0.53 3.84 -1.26 -5.01 114.94 114.56 1xsi s ASN 674 Ca 0.46 -0.55 0.14 0.00 0.21 0.00 0.00 52.86 53.12 1xsi s ASN 674 Cb 0.34 -1.35 0.34 0.00 -0.55 0.00 0.00 41.25 40.03 1xsi s ASN 674 CO 0.15 0.09 1.25 -0.90 -2.79 0.00 0.00 177.10 174.90 1xsi n ASP 675 N 3.89 2.96 -0.03 -4.21 5.68 -1.26 -3.47 116.55 120.11 1xsi n ASP 675 Ca -0.20 -2.77 0.01 0.00 -0.50 0.00 0.00 54.79 51.33 1xsi n ASP 675 Cb 0.52 -0.39 -0.10 0.00 -1.14 0.00 0.00 41.12 40.01 1xsi n ASP 675 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xsi n GLN 676 N -0.70 1.14 -3.79 0.11 1.13 -1.26 -3.99 117.38 110.02 1xsi n GLN 676 Ca 0.15 -0.07 -0.10 0.00 -1.94 0.00 0.00 57.00 55.04 1xsi n GLN 676 Cb 0.66 -1.32 -0.07 0.00 0.11 0.00 0.00 30.24 29.61 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 -2.64 0.84 0.04 -1.09 1.70 -1.26 -4.73 118.95 111.81 1xsi s ARG 677 Ca -0.06 -0.71 -0.08 0.00 -0.47 0.00 0.00 55.73 54.41 1xsi s ARG 677 Cb 0.06 0.35 -0.31 0.00 -0.57 0.00 0.00 34.95 34.49 1xsi s ARG 677 CO 0.54 -0.28 1.03 -1.00 -1.08 0.00 0.00 175.30 174.52 1xsi h PRO 678 N 2.97 0.36 -4.50 3.89 0.13 -1.87 -3.44 132.00 129.54 1xsi h PRO 678 Ca -0.33 -0.62 -0.72 0.00 -0.87 0.00 0.00 66.00 63.46 1xsi h PRO 678 Cb 1.21 0.23 -0.21 0.00 0.13 0.00 0.00 31.00 32.35 1xsi h PRO 678 CO 0.50 1.28 -0.09 0.16 -0.23 0.00 0.00 178.00 179.62 1xsi s ASP 679 N -7.27 6.18 0.34 1.44 -4.77 -1.26 -4.87 116.67 106.46 1xsi s ASP 679 Ca -0.07 -1.39 -0.12 0.00 -3.30 0.00 0.00 52.55 47.67 1xsi s ASP 679 Cb 0.06 -2.25 0.03 0.00 -1.09 0.00 0.00 42.92 39.67 1xsi s ASP 679 CO 0.90 -0.89 0.64 -0.72 0.70 0.00 0.00 175.17 175.80 1xsi s TYR 680 N 2.15 0.40 -0.98 2.11 1.13 -1.26 -5.01 117.35 115.89 1xsi s TYR 680 Ca 0.08 -0.87 -0.23 0.00 -1.41 0.00 0.00 57.07 54.65 1xsi s TYR 680 Cb -0.25 0.46 0.06 0.00 -1.10 0.00 0.00 41.96 41.13 1xsi s TYR 680 CO 0.07 -1.32 1.38 0.54 -2.51 0.00 0.00 175.55 173.71 1xsi s VAL 681 N -2.97 4.03 0.41 -3.49 0.11 -1.26 -4.81 120.40 112.42 1xsi s VAL 681 Ca 0.20 -0.79 0.14 0.00 -2.93 0.00 0.00 61.98 58.60 1xsi s VAL 681 Cb -0.03 -5.00 0.14 0.00 -1.53 0.00 0.00 36.38 29.96 1xsi s VAL 681 CO 0.13 -1.86 1.91 -0.50 -3.33 0.00 0.00 175.10 171.45 1xsi h TRP 682 N 9.67 0.00 -0.04 1.54 6.55 -1.96 -2.66 115.95 129.04 1xsi h TRP 682 Ca 0.15 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.99 1xsi h TRP 682 Cb 1.02 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.32 1xsi h TRP 682 CO 1.25 0.27 0.00 -2.39 -1.05 0.00 0.00 178.44 176.52 1xsi n HIS 683 N -4.18 0.05 -4.08 0.49 1.44 -1.26 -4.17 115.22 103.51 1xsi n HIS 683 Ca -0.02 -0.03 -0.35 0.00 -2.01 0.00 0.00 57.72 55.32 1xsi n HIS 683 Cb 0.33 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.30 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 -1.95 3.40 0.00 -1.40 2.02 -1.01 -2.10 118.70 117.66 1xsi s GLU 684 Ca 0.37 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1xsi s GLU 684 Cb 0.18 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1xsi s GLU 684 CO 0.30 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.89 1xsi n GLY 685 N 4.49 0.75 3.52 -1.39 0.00 -0.57 -4.70 105.19 107.30 1xsi n GLY 685 Ca -0.18 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.31 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 0.55 -3.79 2.61 -1.04 -1.26 -4.50 114.28 104.86 1xsi n THR 686 Ca 0.00 -0.14 -0.37 0.00 -2.04 0.00 0.00 64.05 61.50 1xsi n THR 686 Cb 0.00 -0.36 -0.13 0.00 -1.82 0.00 0.00 70.33 68.02 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 -0.13 3.00 0.14 2.41 0.00 -0.08 -1.78 121.76 125.33 1xsi s ALA 687 Ca 0.81 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 1xsi s ALA 687 Cb -1.05 -2.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 1xsi s ALA 687 CO 0.54 -1.16 0.50 -0.06 0.00 0.00 0.00 175.76 175.58 1xsi s PHE 688 N 1.41 3.55 -0.05 0.00 0.08 0.25 -0.86 117.98 122.37 1xsi s PHE 688 Ca -0.01 0.92 0.02 0.00 0.12 0.00 0.00 56.93 57.98 1xsi s PHE 688 Cb -0.19 -2.27 0.02 0.00 -0.57 0.00 0.00 43.02 40.01 1xsi s PHE 688 CO 0.02 0.42 -0.09 -1.01 -0.10 0.00 0.00 175.22 174.46 1xsi s HIS 689 N -1.53 1.10 -0.18 0.36 3.76 0.50 -0.16 115.29 119.14 1xsi s HIS 689 Ca 0.39 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 54.90 1xsi s HIS 689 Cb -0.14 -0.86 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 1xsi s HIS 689 CO 0.19 -0.22 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.63 1xsi s LEU 690 N 0.72 2.95 -0.20 0.89 2.96 -0.67 -0.75 118.68 124.58 1xsi s LEU 690 Ca -0.12 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1xsi s LEU 690 Cb -0.15 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 1xsi s LEU 690 CO 0.02 0.08 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.69 1xsi s PHE 691 N 0.88 2.90 -0.57 5.38 0.08 -0.22 -1.77 117.98 124.66 1xsi s PHE 691 Ca -0.01 -1.00 -0.17 0.00 0.12 0.00 0.00 56.93 55.87 1xsi s PHE 691 Cb -0.15 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1xsi s PHE 691 CO 0.01 -0.53 0.32 0.09 -0.10 0.00 0.00 175.22 175.00 1xsi n ASN 692 N 4.54 -1.90 -4.61 1.36 3.02 -1.26 -1.43 115.26 114.98 1xsi n ASN 692 Ca -0.19 -0.61 -0.43 0.00 -0.03 0.00 0.00 54.58 53.32 1xsi n ASN 692 Cb 0.51 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 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 -6.16 3.62 0.66 3.41 0.20 -1.26 -1.96 118.68 117.18 1xsi s LEU 693 Ca 0.23 1.90 -0.11 0.00 0.69 0.00 0.00 54.13 56.84 1xsi s LEU 693 Cb -0.13 -3.52 -0.01 0.00 -0.43 0.00 0.00 46.19 42.10 1xsi s LEU 693 CO 0.45 -1.75 1.06 -1.10 -0.29 0.00 0.00 176.35 174.72 1xsi s GLN 694 N 5.88 3.25 0.16 1.98 -0.21 -1.26 -4.97 119.66 124.48 1xsi s GLN 694 Ca 0.94 0.68 -0.31 0.00 0.02 0.00 0.00 55.36 56.68 1xsi s GLN 694 Cb -0.32 -2.05 -0.11 0.00 1.00 0.00 0.00 33.01 31.53 1xsi s GLN 694 CO 0.35 -0.80 1.78 0.34 -2.12 0.00 0.00 175.29 174.84 1xsi s ASP 695 N -4.19 6.41 -0.24 5.90 -1.08 -1.26 -2.60 116.67 119.61 1xsi s ASP 695 Ca 0.56 2.79 -0.00 0.00 -0.52 0.00 0.00 52.55 55.38 1xsi s ASP 695 Cb -0.11 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 1xsi s ASP 695 CO 0.53 -0.99 0.05 0.61 0.52 0.00 0.00 175.17 175.90 1xsi n GLY 696 N 4.12 0.39 3.40 2.66 0.00 0.13 -5.01 105.19 110.89 1xsi n GLY 696 Ca 0.17 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.43 1.81 0.03 1.61 3.76 -1.07 -4.99 115.29 114.02 1xsi s HIS 697 Ca 0.03 -0.86 0.04 0.00 -0.15 0.00 0.00 55.06 54.12 1xsi s HIS 697 Cb -0.01 -1.09 -0.02 0.00 1.11 0.00 0.00 32.58 32.57 1xsi s HIS 697 CO 0.03 0.08 -0.13 -2.00 -0.85 0.00 0.00 174.74 171.88 1xsi s GLU 698 N -3.83 0.86 -0.04 1.40 2.12 -1.26 -1.26 118.70 116.69 1xsi s GLU 698 Ca 0.31 -0.68 0.04 0.00 0.36 0.00 0.00 54.97 55.00 1xsi s GLU 698 Cb 0.06 -0.84 -0.00 0.00 0.26 0.00 0.00 34.13 33.61 1xsi s GLU 698 CO 0.12 0.21 -0.14 0.00 -0.54 0.00 0.00 175.26 174.91 1xsi s ALA 699 N -0.78 1.28 -0.06 6.30 0.00 -0.36 -4.92 121.76 123.21 1xsi s ALA 699 Ca 0.01 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1xsi s ALA 699 Cb -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1xsi s ALA 699 CO 0.01 0.22 -0.18 0.08 0.00 0.00 0.00 175.76 175.89 1xsi s VAL 700 N 0.12 1.55 -0.13 0.00 1.01 -1.26 -1.11 120.40 120.57 1xsi s VAL 700 Ca -0.04 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1xsi s VAL 700 Cb -0.11 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.95 1xsi s VAL 700 CO 0.02 0.44 -0.14 0.00 0.00 0.00 0.00 175.10 175.42 1xsi s GLU 702 N 1.35 3.61 -0.17 0.00 2.02 -1.26 -1.35 118.70 122.89 1xsi s GLU 702 Ca 0.01 -0.50 -0.15 0.00 0.02 0.00 0.00 54.97 54.35 1xsi s GLU 702 Cb -0.13 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1xsi s GLU 702 CO -0.08 -0.20 0.33 0.08 0.02 0.00 0.00 175.26 175.41 1xsi s VAL 703 N 1.60 5.28 0.43 2.63 1.01 -0.12 -4.87 120.40 126.36 1xsi s VAL 703 Ca 0.06 0.61 -0.07 0.00 0.00 0.00 0.00 61.98 62.58 1xsi s VAL 703 Cb -0.15 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1xsi s VAL 703 CO 0.03 0.36 0.75 -2.16 0.00 0.00 0.00 175.10 174.07 1xsi s PRO 704 N 0.65 3.63 0.82 2.72 0.04 -1.26 -1.58 135.00 140.01 1xsi s PRO 704 Ca 0.18 0.25 -0.08 0.00 0.04 0.00 0.00 61.00 61.39 1xsi s PRO 704 Cb -0.13 -2.42 0.15 0.00 0.04 0.00 0.00 34.50 32.13 1xsi s PRO 704 CO 0.05 -0.09 1.13 0.00 0.04 0.00 0.00 177.00 178.13 1xsi s ALA 705 N -2.53 3.04 0.56 8.56 0.00 0.16 -4.67 121.76 126.88 1xsi s ALA 705 Ca 0.48 -1.41 0.33 0.00 0.00 0.00 0.00 51.96 51.36 1xsi s ALA 705 Cb -0.10 -2.40 1.88 0.00 0.00 0.00 0.00 23.12 22.50 1xsi s ALA 705 CO 0.38 -1.83 2.24 0.00 0.00 0.00 0.00 175.76 176.55 1xsi h ALA 706 N -0.98 1.34 -0.33 0.00 0.00 -1.95 -1.89 119.26 115.45 1xsi h ALA 706 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xsi h ALA 706 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xsi h ALA 706 CO 0.42 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 1xsi n ASP 707 N -3.60 3.08 0.00 0.00 5.68 -1.26 -4.77 116.55 115.67 1xsi n ASP 707 Ca -0.03 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 1xsi n ASP 707 Cb 0.12 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1xsi n ASP 707 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsi n GLY 708 N 1.43 1.36 3.82 6.12 0.00 -0.71 -5.06 105.19 112.13 1xsi n GLY 708 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.29 4.97 -0.30 1.61 1.04 -1.26 -4.71 113.70 112.76 1xsi s SER 709 Ca 0.00 1.45 -0.27 0.00 0.48 0.00 0.00 55.95 57.61 1xsi s SER 709 Cb 0.00 -2.25 0.01 0.00 0.10 0.00 0.00 66.02 63.88 1xsi s SER 709 CO 0.00 -1.68 0.95 -0.69 0.98 0.00 0.00 173.24 172.80 1xsi s VAL 710 N -3.11 4.65 -0.12 5.02 1.01 -1.26 0.37 120.40 126.95 1xsi s VAL 710 Ca 0.59 1.55 0.18 0.00 0.00 0.00 0.00 61.98 64.30 1xsi s VAL 710 Cb -0.14 -4.29 -0.19 0.00 0.00 0.00 0.00 36.38 31.75 1xsi s VAL 710 CO 0.54 -0.35 0.60 0.00 0.00 0.00 0.00 175.10 175.89 1xsi n ILE 711 N 5.67 1.05 -3.70 2.22 3.06 -0.62 -4.86 119.36 122.18 1xsi n ILE 711 Ca 0.09 -0.70 -0.13 0.00 -2.50 0.00 0.00 62.75 59.51 1xsi n ILE 711 Cb 0.47 -0.56 -0.09 0.00 0.54 0.00 0.00 39.64 40.00 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 -2.92 -0.57 -0.09 9.51 5.36 -1.13 -1.28 117.98 126.86 1xsi s PHE 712 Ca -0.05 1.35 0.02 0.00 -0.96 0.00 0.00 56.93 57.28 1xsi s PHE 712 Cb 0.09 0.21 0.02 0.00 -0.34 0.00 0.00 43.02 43.00 1xsi s PHE 712 CO 0.83 -0.28 -0.13 0.99 -1.46 0.00 0.00 175.22 175.17 1xsi s THR 713 N 0.45 1.29 -0.16 0.12 2.01 -0.37 -0.94 115.64 118.04 1xsi s THR 713 Ca -0.02 -0.53 -0.00 0.00 0.31 0.00 0.00 61.69 61.46 1xsi s THR 713 Cb -0.04 -1.20 -0.00 0.00 0.01 0.00 0.00 72.50 71.27 1xsi s THR 713 CO -0.02 0.40 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.95 1xsi s LEU 714 N 0.99 2.52 0.09 4.42 1.98 -0.46 -1.26 118.68 126.97 1xsi s LEU 714 Ca -0.08 -0.46 0.09 0.00 -2.89 0.00 0.00 54.13 50.79 1xsi s LEU 714 Cb -0.15 -1.58 -0.04 0.00 0.66 0.00 0.00 46.19 45.08 1xsi s LEU 714 CO -0.01 0.07 -0.21 -0.54 -1.89 0.00 0.00 176.35 173.77 1xsi s LYS 715 N 0.91 1.75 -0.14 1.98 1.02 -0.38 -0.60 119.74 124.28 1xsi s LYS 715 Ca -0.03 -1.17 -0.04 0.00 0.02 0.00 0.00 55.97 54.75 1xsi s LYS 715 Cb -0.15 -2.06 0.05 0.00 -0.52 0.00 0.00 37.83 35.15 1xsi s LYS 715 CO -0.01 0.49 0.08 0.00 -0.92 0.00 0.00 175.35 174.99 1xsi s ALA 716 N -1.03 0.40 -0.07 5.17 0.00 -0.27 -1.85 121.76 124.11 1xsi s ALA 716 Ca 0.15 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1xsi s ALA 716 Cb -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1xsi s ALA 716 CO 0.07 -0.99 -0.19 0.00 0.00 0.00 0.00 175.76 174.64 1xsi s ALA 717 N 2.13 2.41 -0.17 0.00 0.00 0.06 -1.23 121.76 124.96 1xsi s ALA 717 Ca 0.03 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1xsi s ALA 717 Cb -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1xsi s ALA 717 CO -0.07 0.43 -0.15 0.50 0.00 0.00 0.00 175.76 176.46 1xsi s ARG 718 N -0.24 3.19 -0.11 0.00 3.52 -0.39 -0.36 118.95 124.57 1xsi s ARG 718 Ca -0.00 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 1xsi s ARG 718 Cb -0.13 -2.65 -0.08 0.00 -1.56 0.00 0.00 34.95 30.53 1xsi s ARG 718 CO 0.03 -0.05 -0.08 -2.37 -0.81 0.00 0.00 175.30 172.02 1xsi n THR 719 N 4.24 0.64 0.00 4.11 5.66 0.25 0.21 114.28 129.40 1xsi n THR 719 Ca -0.19 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 1xsi n THR 719 Cb 0.51 -0.88 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 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 2.89 -0.77 0.06 1.09 0.00 -1.26 -4.58 105.19 102.62 1xsi n GLY 720 Ca -0.19 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.95 2.13 -4.28 1.61 3.02 -1.26 -4.80 115.26 110.73 1xsi n ASN 721 Ca 0.00 -2.68 -0.35 0.00 -0.03 0.00 0.00 54.58 51.52 1xsi n ASN 721 Cb 0.00 -0.28 -0.14 0.00 -0.61 0.00 0.00 39.78 38.75 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 -2.16 3.17 -0.14 3.41 2.01 -1.26 0.75 115.64 121.42 1xsi s THR 722 Ca 0.21 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1xsi s THR 722 Cb 0.18 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 1xsi s THR 722 CO 0.02 0.44 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.72 1xsi s ILE 723 N 1.44 2.70 -0.09 1.82 2.07 -0.31 -0.58 121.20 128.25 1xsi s ILE 723 Ca 0.06 -0.77 -0.01 0.00 -1.41 0.00 0.00 60.65 58.51 1xsi s ILE 723 Cb -0.14 -2.12 -0.03 0.00 0.13 0.00 0.00 42.46 40.30 1xsi s ILE 723 CO -0.05 0.52 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.58 1xsi s THR 724 N 0.58 3.99 -0.13 4.00 2.01 0.52 -1.21 115.64 125.40 1xsi s THR 724 Ca -0.09 -0.36 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 1xsi s THR 724 Cb -0.16 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1xsi s THR 724 CO 0.03 0.59 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.76 1xsi s VAL 725 N -0.66 1.24 -0.01 3.82 1.01 -0.58 -0.77 120.40 124.46 1xsi s VAL 725 Ca 0.10 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1xsi s VAL 725 Cb -0.12 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 1xsi s VAL 725 CO 0.02 0.40 -0.07 0.42 0.00 0.00 0.00 175.10 175.88 1xsi s THR 726 N 1.60 0.56 0.18 3.92 -4.23 -0.77 -3.94 115.64 112.97 1xsi s THR 726 Ca 0.05 -0.28 0.11 0.00 -1.18 0.00 0.00 61.69 60.39 1xsi s THR 726 Cb -0.13 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 1xsi s THR 726 CO -0.09 0.17 -0.23 -0.83 -0.54 0.00 0.00 174.62 173.10 1xsi s GLY 727 N -0.00 1.62 -0.15 3.99 0.00 -1.26 -1.25 107.32 110.28 1xsi s GLY 727 Ca 0.00 -1.59 -0.08 0.00 0.00 0.00 0.00 44.72 43.06 1xsi s GLY 727 CO -0.00 -1.61 0.35 0.00 0.00 0.00 0.00 173.10 171.83 1xsi s ALA 728 N -1.69 -0.86 0.00 3.20 0.00 -0.39 -4.99 121.76 117.04 1xsi s ALA 728 Ca 0.19 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1xsi s ALA 728 Cb -0.08 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1xsi s ALA 728 CO 0.09 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1xsi n GLY 729 N 4.33 -0.97 3.70 0.00 0.00 -1.26 -1.23 105.19 109.74 1xsi n GLY 729 Ca -0.23 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.40 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 4.12 -0.13 1.61 2.12 -0.40 -4.93 118.70 121.08 1xsi s GLU 730 Ca 0.00 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 1xsi s GLU 730 Cb 0.00 -3.37 0.10 0.00 0.26 0.00 0.00 34.13 31.12 1xsi s GLU 730 CO 0.00 0.27 0.85 0.00 -0.54 0.00 0.00 175.26 175.85 1xsi s ALA 731 N 0.42 -1.86 0.07 6.30 0.00 -1.26 -4.35 121.76 121.08 1xsi s ALA 731 Ca 0.07 1.53 0.06 0.00 0.00 0.00 0.00 51.96 53.62 1xsi s ALA 731 Cb -0.12 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1xsi s ALA 731 CO -0.01 -0.33 -0.15 0.15 0.00 0.00 0.00 175.76 175.42 1xsi s LYS 732 N -0.93 0.87 -1.74 0.00 3.01 -0.89 -4.93 119.74 115.14 1xsi s LYS 732 Ca -0.05 -0.98 -0.17 0.00 -1.01 0.00 0.00 55.97 53.76 1xsi s LYS 732 Cb -0.01 -0.92 0.17 0.00 -1.01 0.00 0.00 37.83 36.07 1xsi s LYS 732 CO 0.04 0.21 0.43 0.09 0.51 0.00 0.00 175.35 176.63 1xsi n ASN 733 N 1.27 -1.09 -4.94 2.83 3.02 -1.26 -1.51 115.26 113.59 1xsi n ASN 733 Ca -0.21 -1.21 -0.24 0.00 -0.03 0.00 0.00 54.58 52.89 1xsi n ASN 733 Cb 0.54 -1.54 0.01 0.00 -0.61 0.00 0.00 39.78 38.18 1xsi n ASN 733 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 1xsi s TRP 734 N -3.46 3.34 0.08 3.10 1.48 -1.26 -3.85 118.94 118.37 1xsi s TRP 734 Ca 0.61 0.39 -0.01 0.00 -1.06 0.00 0.00 56.10 56.03 1xsi s TRP 734 Cb -0.35 -2.27 -0.04 0.00 -1.16 0.00 0.00 33.47 29.65 1xsi s TRP 734 CO 0.98 -0.29 -0.01 0.99 -4.06 0.00 0.00 176.95 174.56 1xsi s THR 735 N -2.58 0.27 -0.18 0.66 2.01 -0.73 -4.56 115.64 110.53 1xsi s THR 735 Ca 0.47 -1.86 -0.03 0.00 0.31 0.00 0.00 61.69 60.58 1xsi s THR 735 Cb -0.10 -1.69 0.06 0.00 0.01 0.00 0.00 72.50 70.78 1xsi s THR 735 CO 0.39 -0.83 0.04 -0.22 -0.69 0.00 0.00 174.62 173.31 1xsi s LEU 736 N -2.98 1.03 -0.16 4.42 1.98 -0.52 -0.58 118.68 121.87 1xsi s LEU 736 Ca 0.12 -0.74 -0.13 0.00 -2.89 0.00 0.00 54.13 50.50 1xsi s LEU 736 Cb 0.07 -0.54 -0.05 0.00 0.66 0.00 0.00 46.19 46.34 1xsi s LEU 736 CO -0.06 -0.30 0.26 0.00 -1.89 0.00 0.00 176.35 174.36 1xsi s LEU 738 N 0.36 5.36 0.19 0.00 1.43 0.40 -1.66 118.68 124.75 1xsi s LEU 738 Ca 0.15 -1.93 -0.32 0.00 -1.03 0.00 0.00 54.13 50.99 1xsi s LEU 738 Cb -0.13 -2.35 -0.12 0.00 0.03 0.00 0.00 46.19 43.62 1xsi s LEU 738 CO 0.03 -1.02 1.72 0.54 0.23 0.00 0.00 176.35 177.85 1xsi n ARG 739 N 6.16 2.69 -1.84 1.70 5.12 -0.73 -1.09 116.66 128.67 1xsi n ARG 739 Ca 0.13 0.97 -0.18 0.00 -1.93 0.00 0.00 57.85 56.84 1xsi n ARG 739 Cb 0.47 -2.81 -0.05 0.00 -1.16 0.00 0.00 32.46 28.91 1xsi n ARG 739 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xsi n ASN 740 N 4.17 -5.22 -4.07 0.55 3.02 0.78 -4.67 115.26 109.82 1xsi n ASN 740 Ca 0.17 0.27 -0.33 0.00 -0.03 0.00 0.00 54.58 54.66 1xsi n ASN 740 Cb 0.34 -4.30 -0.14 0.00 -0.61 0.00 0.00 39.78 35.07 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 -2.76 2.62 -0.04 2.41 1.01 -0.25 -5.02 120.40 118.37 1xsi s VAL 741 Ca 0.00 -2.09 -0.24 0.00 0.00 0.00 0.00 61.98 59.65 1xsi s VAL 741 Cb 0.00 -2.81 -0.18 0.00 0.00 0.00 0.00 36.38 33.39 1xsi s VAL 741 CO 0.00 -0.51 1.03 0.58 0.00 0.00 0.00 175.10 176.19 1xsi h VAL 742 N 6.54 1.11 -4.19 2.92 2.07 -1.93 -1.05 116.25 121.72 1xsi h VAL 742 Ca -0.10 -1.20 -0.58 0.00 0.82 0.00 0.00 66.70 65.64 1xsi h VAL 742 Cb 1.03 1.83 -0.26 0.00 -1.52 0.00 0.00 31.29 32.37 1xsi h VAL 742 CO 0.56 0.27 -0.84 -0.75 0.02 0.00 0.00 177.57 176.84 1xsi s LYS 743 N -3.69 1.41 0.11 1.57 2.20 -1.26 -4.50 119.74 115.58 1xsi s LYS 743 Ca -0.14 -0.92 0.08 0.00 -0.36 0.00 0.00 55.97 54.63 1xsi s LYS 743 Cb 0.01 -1.50 -0.04 0.00 -1.51 0.00 0.00 37.83 34.79 1xsi s LYS 743 CO 0.57 0.39 -0.19 0.54 -0.36 0.00 0.00 175.35 176.29 1xsi s VAL 744 N -0.77 1.66 0.25 4.02 0.11 -1.26 -4.63 120.40 119.78 1xsi s VAL 744 Ca 0.07 -1.61 -0.01 0.00 -2.93 0.00 0.00 61.98 57.50 1xsi s VAL 744 Cb -0.09 -1.57 0.08 0.00 -1.53 0.00 0.00 36.38 33.27 1xsi s VAL 744 CO 0.02 -0.15 1.72 -1.13 -3.33 0.00 0.00 175.10 172.22 1xsi h ASN 745 N 3.88 0.69 -5.67 3.54 -1.24 -1.53 -3.47 115.58 111.78 1xsi h ASN 745 Ca -0.44 -0.20 0.30 0.00 0.71 0.00 0.00 56.30 56.66 1xsi h ASN 745 Cb 1.19 -0.19 -0.12 0.00 0.73 0.00 0.00 38.32 39.94 1xsi h ASN 745 CO 0.43 0.84 0.78 -0.83 -1.29 0.00 0.00 177.43 177.35 1xsi s GLY 746 N -3.84 -0.39 -0.28 1.57 0.00 -1.13 -4.99 107.32 98.27 1xsi s GLY 746 Ca -0.09 0.63 -0.02 0.00 0.00 0.00 0.00 44.72 45.24 1xsi s GLY 746 CO 0.81 0.11 0.55 -2.27 0.00 0.00 0.00 173.10 172.30 1xsi s LEU 747 N -2.95 -1.18 -0.24 0.66 0.20 -1.26 -1.01 118.68 112.89 1xsi s LEU 747 Ca 0.14 0.79 -0.09 0.00 0.69 0.00 0.00 54.13 55.65 1xsi s LEU 747 Cb 0.04 1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 47.67 1xsi s LEU 747 CO -0.03 -0.27 0.12 -1.10 -0.29 0.00 0.00 176.35 174.79 1xsi s GLN 748 N 2.78 3.92 0.00 1.98 -1.52 -0.36 -4.57 119.66 121.90 1xsi s GLN 748 Ca 0.17 -0.35 0.00 0.00 -1.95 0.00 0.00 55.36 53.23 1xsi s GLN 748 Cb -0.15 -3.45 0.00 0.00 -0.22 0.00 0.00 33.01 29.20 1xsi s GLN 748 CO -0.19 -0.01 0.00 -0.25 -0.25 0.00 0.00 175.29 174.58 1xsi n ASP 749 N 4.47 -2.44 -3.45 5.90 9.92 -1.26 -1.65 116.55 128.05 1xsi n ASP 749 Ca -0.15 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.98 1xsi n ASP 749 Cb 0.52 -0.48 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 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 -2.96 -0.60 0.45 0.44 0.00 -1.26 -0.83 107.32 102.56 1xsi s GLY 750 Ca 0.00 0.69 -0.05 0.00 0.00 0.00 0.00 44.72 45.36 1xsi s GLY 750 CO 0.00 0.33 0.75 -1.35 0.00 0.00 0.00 173.10 172.83 1xsi s SER 751 N -2.43 6.31 0.16 1.64 1.04 -0.39 -4.88 113.70 115.16 1xsi s SER 751 Ca -0.01 0.91 0.07 0.00 0.48 0.00 0.00 55.95 57.40 1xsi s SER 751 Cb -0.01 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 1xsi s SER 751 CO -0.08 -0.51 -0.15 0.00 0.98 0.00 0.00 173.24 173.47 1xsi s GLN 752 N -4.52 1.19 -0.26 4.02 -2.07 -1.26 -0.92 119.66 115.83 1xsi s GLN 752 Ca 0.47 -1.40 -0.20 0.00 -1.82 0.00 0.00 55.36 52.41 1xsi s GLN 752 Cb -0.10 -1.08 0.07 0.00 -1.09 0.00 0.00 33.01 30.81 1xsi s GLN 752 CO 0.42 0.20 0.67 0.00 -1.32 0.00 0.00 175.29 175.25 1xsi s ALA 753 N -2.42 -1.72 0.87 2.60 0.00 -0.36 -5.01 121.76 115.73 1xsi s ALA 753 Ca 0.15 2.09 -0.12 0.00 0.00 0.00 0.00 51.96 54.08 1xsi s ALA 753 Cb -0.03 -1.22 0.11 0.00 0.00 0.00 0.00 23.12 21.98 1xsi s ALA 753 CO 0.05 -0.34 1.10 -1.21 0.00 0.00 0.00 175.76 175.36 1xsi s GLU 754 N 0.92 1.48 0.02 0.00 2.02 -1.26 -1.16 118.70 120.72 1xsi s GLU 754 Ca -0.04 0.73 -0.28 0.00 0.02 0.00 0.00 54.97 55.39 1xsi s GLU 754 Cb -0.05 -1.84 0.10 0.00 0.10 0.00 0.00 34.13 32.44 1xsi s GLU 754 CO -0.08 -2.07 0.88 -1.54 0.02 0.00 0.00 175.26 172.47 1xsi s SER 755 N -3.60 -0.36 0.24 -0.19 1.04 -1.22 -4.73 113.70 104.88 1xsi s SER 755 Ca 0.63 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.96 1xsi s SER 755 Cb -0.17 0.40 0.43 0.00 0.10 0.00 0.00 66.02 66.78 1xsi s SER 755 CO 0.56 -0.66 1.70 1.05 0.98 0.00 0.00 173.24 176.86 1xsi h GLU 756 N 2.00 0.29 0.00 4.02 4.11 -2.02 -2.55 114.58 120.43 1xsi h GLU 756 Ca -0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1xsi h GLU 756 Cb 1.24 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1xsi h GLU 756 CO 0.31 0.19 -0.13 1.96 0.07 0.00 0.00 179.01 181.41 1xsi h GLN 757 N 0.30 0.00 0.00 1.06 4.20 -1.96 -3.48 115.11 115.23 1xsi h GLN 757 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1xsi h GLN 757 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1xsi h GLN 757 CO -0.47 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.10 1xsi n GLY 758 N 1.22 1.49 3.74 3.46 0.00 -0.96 -0.16 105.19 113.98 1xsi n GLY 758 Ca 0.04 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 4.40 -0.24 0.99 2.96 -0.40 -3.37 118.68 123.02 1xsi s LEU 759 Ca 0.00 2.54 -0.07 0.00 -0.22 0.00 0.00 54.13 56.38 1xsi s LEU 759 Cb 0.00 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1xsi s LEU 759 CO 0.00 -0.62 0.06 -0.69 -1.32 0.00 0.00 176.35 173.78 1xsi s VAL 760 N 0.07 4.33 -0.09 1.68 1.01 -0.30 0.15 120.40 127.24 1xsi s VAL 760 Ca 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 1xsi s VAL 760 Cb -0.39 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1xsi s VAL 760 CO 0.41 0.36 -0.02 -0.69 0.00 0.00 0.00 175.10 175.16 1xsi s VAL 761 N 1.41 4.13 -0.07 2.92 1.01 0.63 -1.22 120.40 129.20 1xsi s VAL 761 Ca 0.05 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1xsi s VAL 761 Cb -0.15 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1xsi s VAL 761 CO 0.03 0.59 -0.15 -0.75 0.00 0.00 0.00 175.10 174.82 1xsi s LYS 762 N -0.74 2.02 0.44 2.72 2.47 -0.10 -1.44 119.74 125.11 1xsi s LYS 762 Ca 0.11 -0.52 -0.02 0.00 -1.56 0.00 0.00 55.97 53.98 1xsi s LYS 762 Cb -0.11 -1.62 -0.03 0.00 -1.46 0.00 0.00 37.83 34.61 1xsi s LYS 762 CO 0.02 0.07 0.69 -1.25 0.16 0.00 0.00 175.35 175.03 1xsi s PRO 763 N 0.58 3.38 -0.23 4.03 0.04 -1.26 -1.26 135.00 140.29 1xsi s PRO 763 Ca -0.16 -0.14 -0.06 0.00 0.04 0.00 0.00 61.00 60.69 1xsi s PRO 763 Cb -0.16 -2.51 0.11 0.00 0.04 0.00 0.00 34.50 31.98 1xsi s PRO 763 CO 0.05 -0.13 0.45 1.14 0.04 0.00 0.00 177.00 178.55 1xsi s GLN 764 N -4.57 0.37 0.00 4.56 0.00 -0.01 -4.91 119.66 115.09 1xsi s GLN 764 Ca 0.45 0.96 0.00 0.00 -0.00 0.00 0.00 55.36 56.77 1xsi s GLN 764 Cb -0.10 0.21 0.00 0.00 0.00 0.00 0.00 33.01 33.12 1xsi s GLN 764 CO 0.40 -0.37 0.00 0.41 0.00 0.00 0.00 175.29 175.74 1xsi n GLY 765 N 5.39 2.34 3.64 2.60 0.00 -1.26 -4.67 105.19 113.24 1xsi n GLY 765 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.96 -2.26 1.61 5.15 -1.26 -4.87 115.26 111.67 1xsi n ASN 766 Ca 0.00 -0.75 -0.29 0.00 -0.60 0.00 0.00 54.58 52.94 1xsi n ASN 766 Cb 0.00 -4.37 0.04 0.00 -0.53 0.00 0.00 39.78 34.92 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 -4.31 5.56 -1.81 5.20 0.00 -1.26 -4.92 120.51 118.97 1xsi n ALA 767 Ca -0.25 -3.80 -0.42 0.00 0.00 0.00 0.00 53.44 48.97 1xsi n ALA 767 Cb 0.66 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1xsi n ALA 767 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xsi s LEU 768 N -3.70 4.39 -0.01 0.00 1.98 -1.25 -4.57 118.68 115.51 1xsi s LEU 768 Ca 0.55 2.50 -0.01 0.00 -2.89 0.00 0.00 54.13 54.28 1xsi s LEU 768 Cb 0.44 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.76 1xsi s LEU 768 CO -0.05 -1.00 0.04 -0.89 -1.89 0.00 0.00 176.35 172.56 1xsi s THR 769 N 4.15 0.01 -0.02 3.68 2.01 -0.66 -1.52 115.64 123.29 1xsi s THR 769 Ca 0.82 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.78 1xsi s THR 769 Cb -0.39 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1xsi s THR 769 CO 0.36 -0.06 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.39 1xsi s ILE 770 N -0.16 1.75 -0.12 1.82 1.09 -0.35 -1.22 121.20 124.01 1xsi s ILE 770 Ca -0.02 -0.94 0.03 0.00 -1.10 0.00 0.00 60.65 58.62 1xsi s ILE 770 Cb -0.01 -1.46 0.00 0.00 -1.06 0.00 0.00 42.46 39.92 1xsi s ILE 770 CO 0.00 0.50 -0.21 0.28 -0.10 0.00 0.00 174.94 175.40 1xsi s THR 771 N -0.42 2.24 0.50 2.92 -1.32 -0.18 -1.16 115.64 118.23 1xsi s THR 771 Ca 0.06 -0.94 -0.18 0.00 -1.21 0.00 0.00 61.69 59.41 1xsi s THR 771 Cb -0.09 -1.89 -0.08 0.00 -1.51 0.00 0.00 72.50 68.93 1xsi s THR 771 CO 0.00 0.55 1.00 -0.76 -2.21 0.00 0.00 174.62 173.20 1xsi s LEU 772 N 0.50 3.71 0.00 9.08 2.01 0.23 -1.59 118.68 132.62 1xsi s LEU 772 Ca -0.14 1.70 0.30 0.00 0.01 0.00 0.00 54.13 56.00 1xsi s LEU 772 Cb -0.17 -4.53 1.77 0.00 0.01 0.00 0.00 46.19 43.28 1xsi s LEU 772 CO 0.05 -0.67 2.11 0.00 1.01 0.00 0.00 176.35 178.85