#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsk s LYS 2 N 0.00 4.08 -0.21 2.12 -0.14 -1.26 -4.89 119.74 119.44 1xsk s LYS 2 Ca 0.00 1.33 -0.12 0.00 -1.36 0.00 0.00 55.97 55.82 1xsk s LYS 2 Cb 0.00 -3.79 -0.09 0.00 -1.68 0.00 0.00 37.83 32.27 1xsk s LYS 2 CO 0.00 -0.90 -0.29 -0.89 -0.76 0.00 0.00 175.35 172.50 1xsk n ILE 3 N 5.80 1.30 -2.55 2.17 5.41 -1.26 -4.83 119.36 125.41 1xsk n ILE 3 Ca 0.14 -0.21 -0.29 0.00 1.00 0.00 0.00 62.75 63.39 1xsk n ILE 3 Cb 0.46 -1.90 -0.01 0.00 -0.71 0.00 0.00 39.64 37.48 1xsk n ILE 3 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xsk s SER 4 N -6.81 6.33 -0.67 4.38 1.04 -1.26 -1.87 113.70 114.84 1xsk s SER 4 Ca -0.30 1.08 0.05 0.00 0.48 0.00 0.00 55.95 57.26 1xsk s SER 4 Cb 0.10 -2.31 0.18 0.00 0.10 0.00 0.00 66.02 64.09 1xsk s SER 4 CO 0.39 -0.59 0.52 -0.67 0.98 0.00 0.00 173.24 173.87 1xsk n ASP 5 N -2.10 2.75 0.00 7.02 2.03 0.63 -4.51 116.55 122.37 1xsk n ASP 5 Ca 0.02 -3.16 0.00 0.00 0.52 0.00 0.00 54.79 52.17 1xsk n ASP 5 Cb 0.55 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1xsk n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsk n GLY 6 N 1.87 -2.40 0.27 0.27 0.00 -1.26 -2.74 105.19 101.20 1xsk n GLY 6 Ca 0.22 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 1xsk n GLY 6 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xsk h ASN 7 N 0.00 0.98 1.18 1.61 -1.24 -1.96 -3.34 115.58 112.81 1xsk h ASN 7 Ca 0.00 -0.43 -0.04 0.00 0.71 0.00 0.00 56.30 56.54 1xsk h ASN 7 Cb 0.00 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.77 1xsk h ASN 7 CO 0.00 1.22 -0.84 -0.50 -1.29 0.00 0.00 177.43 176.02 1xsk h TRP 8 N 0.77 0.00 -1.15 0.67 4.06 -2.02 -3.49 115.95 114.79 1xsk h TRP 8 Ca 0.07 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.38 1xsk h TRP 8 Cb 0.93 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.96 1xsk h TRP 8 CO 0.06 0.13 -0.56 -0.51 -3.56 0.00 0.00 178.44 174.00 1xsk s LEU 9 N -5.68 2.53 0.10 -4.49 1.43 -1.11 -5.03 118.68 106.44 1xsk s LEU 9 Ca 0.01 -1.52 0.10 0.00 -1.03 0.00 0.00 54.13 51.69 1xsk s LEU 9 Cb 0.08 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 1xsk s LEU 9 CO 0.77 -0.67 -0.26 -0.63 0.23 0.00 0.00 176.35 175.79 1xsk s ILE 10 N -2.84 2.11 0.33 -0.59 1.01 -1.26 -0.27 121.20 119.69 1xsk s ILE 10 Ca 0.21 -1.60 -0.29 0.00 0.00 0.00 0.00 60.65 58.97 1xsk s ILE 10 Cb 0.06 -1.86 -0.11 0.00 0.01 0.00 0.00 42.46 40.56 1xsk s ILE 10 CO 0.11 0.15 1.54 -1.10 0.00 0.00 0.00 174.94 175.64 1xsk s GLN 11 N -1.76 4.12 0.45 2.79 -1.52 -0.78 -4.58 119.66 118.36 1xsk s GLN 11 Ca 0.12 2.57 -0.22 0.00 -1.95 0.00 0.00 55.36 55.88 1xsk s GLN 11 Cb -0.10 -3.00 -0.11 0.00 -0.22 0.00 0.00 33.01 29.58 1xsk s GLN 11 CO 0.04 -0.58 0.72 -2.30 -0.25 0.00 0.00 175.29 172.92 1xsk n PRO 12 N 1.34 0.82 -0.79 2.91 -0.02 -1.26 -2.25 135.00 135.75 1xsk n PRO 12 Ca 0.05 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1xsk n PRO 12 Cb 0.38 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1xsk n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xsk n GLY 13 N 1.57 0.48 3.78 -1.23 0.00 -1.26 -4.86 105.19 103.67 1xsk n GLY 13 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1xsk n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsk s LEU 14 N 0.00 4.18 -0.17 0.99 1.43 -0.95 0.18 118.68 124.34 1xsk s LEU 14 Ca 0.00 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1xsk s LEU 14 Cb 0.00 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1xsk s LEU 14 CO 0.00 0.31 -0.20 0.20 0.23 0.00 0.00 176.35 176.90 1xsk s ASN 15 N -0.44 3.19 0.11 2.29 0.01 -0.64 -4.89 114.94 114.56 1xsk s ASN 15 Ca 0.11 -0.63 0.05 0.00 -0.71 0.00 0.00 52.86 51.69 1xsk s ASN 15 Cb -0.12 -1.49 -0.04 0.00 0.41 0.00 0.00 41.25 40.02 1xsk s ASN 15 CO 0.02 0.02 0.01 -0.76 -1.51 0.00 0.00 177.10 174.87 1xsk s LEU 16 N 1.19 3.48 -0.07 0.60 1.43 -1.26 -1.29 118.68 122.76 1xsk s LEU 16 Ca 0.02 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1xsk s LEU 16 Cb -0.14 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.93 1xsk s LEU 16 CO -0.10 0.16 0.17 0.27 0.23 0.00 0.00 176.35 177.08 1xsk s ILE 17 N -1.40 -0.03 0.10 -0.59 -4.36 -0.95 -5.02 121.20 108.96 1xsk s ILE 17 Ca 0.26 0.10 0.04 0.00 -0.26 0.00 0.00 60.65 60.80 1xsk s ILE 17 Cb -0.11 -0.26 -0.04 0.00 1.25 0.00 0.00 42.46 43.30 1xsk s ILE 17 CO 0.19 0.04 -0.11 -1.00 0.24 0.00 0.00 174.94 174.30 1xsk s HIS 18 N 0.73 1.15 -0.15 1.37 0.09 -1.26 -1.00 115.29 116.22 1xsk s HIS 18 Ca -0.05 -0.63 -0.29 0.00 -0.00 0.00 0.00 55.06 54.08 1xsk s HIS 18 Cb -0.07 -0.62 -0.02 0.00 -0.00 0.00 0.00 32.58 31.87 1xsk s HIS 18 CO -0.04 0.04 1.31 -1.25 -0.00 0.00 0.00 174.74 174.80 1xsk s PRO 19 N -2.77 4.23 -0.00 8.40 0.04 -1.26 -3.89 135.00 139.74 1xsk s PRO 19 Ca 0.06 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.86 1xsk s PRO 19 Cb -0.03 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.69 1xsk s PRO 19 CO 0.01 -0.72 0.09 1.28 0.04 0.00 0.00 177.00 177.69 1xsk n LEU 20 N 6.65 0.08 -3.70 -3.56 4.77 0.44 -4.54 117.00 117.13 1xsk n LEU 20 Ca 0.14 -0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 55.66 1xsk n LEU 20 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1xsk n LEU 20 CO 0.57 0.02 0.14 -1.58 -1.33 0.00 0.00 177.39 175.20 1xsk s GLN 21 N -1.52 0.52 0.32 3.23 0.74 -1.03 -4.13 119.66 117.79 1xsk s GLN 21 Ca 0.00 0.72 -0.28 0.00 0.05 0.00 0.00 55.36 55.86 1xsk s GLN 21 Cb 0.02 0.18 -0.09 0.00 1.10 0.00 0.00 33.01 34.22 1xsk s GLN 21 CO 0.10 -0.10 1.07 0.08 -0.55 0.00 0.00 175.29 175.90 1xsk s VAL 22 N 0.64 3.59 -0.01 1.34 1.01 -1.26 -1.09 120.40 124.62 1xsk s VAL 22 Ca -0.03 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1xsk s VAL 22 Cb -0.05 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1xsk s VAL 22 CO -0.04 0.25 0.01 0.33 0.00 0.00 0.00 175.10 175.65 1xsk n PHE 23 N 0.78 0.00 -3.61 5.22 7.35 0.41 -4.78 117.46 122.83 1xsk n PHE 23 Ca 0.01 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.60 1xsk n PHE 23 Cb 0.46 -0.07 -0.06 0.00 0.35 0.00 0.00 39.48 40.16 1xsk n PHE 23 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1xsk s GLU 24 N -2.05 0.55 -0.01 -4.13 2.12 -1.17 -5.01 118.70 109.01 1xsk s GLU 24 Ca -0.01 0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.81 1xsk s GLU 24 Cb 0.01 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.64 1xsk s GLU 24 CO 0.06 -0.12 -0.23 0.08 -0.54 0.00 0.00 175.26 174.52 1xsk s VAL 25 N -0.33 1.82 -0.13 3.70 1.01 -1.26 -1.20 120.40 124.01 1xsk s VAL 25 Ca 0.01 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1xsk s VAL 25 Cb -0.03 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.89 1xsk s VAL 25 CO -0.03 0.48 0.29 -0.70 0.00 0.00 0.00 175.10 175.14 1xsk s GLU 26 N -0.62 0.24 -0.10 2.72 2.12 0.39 -5.01 118.70 118.44 1xsk s GLU 26 Ca 0.09 0.64 -0.19 0.00 0.36 0.00 0.00 54.97 55.87 1xsk s GLU 26 Cb -0.09 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 1xsk s GLU 26 CO -0.01 -0.19 0.52 -1.14 -0.54 0.00 0.00 175.26 173.90 1xsk s GLN 27 N 1.53 4.34 -0.43 4.30 0.74 -1.26 0.02 119.66 128.91 1xsk s GLN 27 Ca -0.07 0.53 0.03 0.00 0.05 0.00 0.00 55.36 55.90 1xsk s GLN 27 Cb -0.10 -3.43 0.12 0.00 1.10 0.00 0.00 33.01 30.70 1xsk s GLN 27 CO -0.10 0.17 0.18 -0.65 -0.55 0.00 0.00 175.29 174.35 1xsk s GLN 28 N 0.56 1.51 7.82 1.67 -0.21 0.21 -4.97 119.66 126.26 1xsk s GLN 28 Ca 0.28 -2.08 0.00 0.00 0.02 0.00 0.00 55.36 53.58 1xsk s GLN 28 Cb -0.16 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 31.01 1xsk s GLN 28 CO 0.12 -1.07 0.00 -0.25 -2.12 0.00 0.00 175.29 171.97 1xsk n ASP 29 N 3.71 0.00 -1.35 5.90 8.00 -1.26 -0.87 116.55 130.68 1xsk n ASP 29 Ca 0.05 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.51 1xsk n ASP 29 Cb 0.36 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.60 1xsk n ASP 29 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1xsk n ASN 30 N 5.94 3.26 -4.21 -2.24 6.94 -1.26 -4.85 115.26 118.84 1xsk n ASN 30 Ca 0.00 -2.58 -0.20 0.00 -0.02 0.00 0.00 54.58 51.78 1xsk n ASN 30 Cb 0.00 -0.62 -0.12 0.00 -2.36 0.00 0.00 39.78 36.68 1xsk n ASN 30 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1xsk s GLU 31 N -1.65 0.91 -0.13 -3.83 2.02 -0.05 -4.65 118.70 111.32 1xsk s GLU 31 Ca 0.25 -1.03 0.02 0.00 0.02 0.00 0.00 54.97 54.23 1xsk s GLU 31 Cb 0.20 -0.97 0.01 0.00 0.10 0.00 0.00 34.13 33.48 1xsk s GLU 31 CO 0.06 0.21 -0.21 1.41 0.02 0.00 0.00 175.26 176.76 1xsk s MET 32 N -1.88 2.88 -0.13 1.61 -2.45 -0.61 0.65 119.30 119.38 1xsk s MET 32 Ca 0.01 -0.81 -0.04 0.00 -1.25 0.00 0.00 55.69 53.61 1xsk s MET 32 Cb -0.09 -2.33 -0.03 0.00 1.25 0.00 0.00 34.83 33.62 1xsk s MET 32 CO 0.03 -0.01 0.00 0.08 1.05 0.00 0.00 175.02 176.17 1xsk s VAL 33 N 0.82 4.27 -0.12 10.11 1.01 0.10 -0.22 120.40 136.38 1xsk s VAL 33 Ca -0.08 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1xsk s VAL 33 Cb -0.16 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1xsk s VAL 33 CO -0.01 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 1xsk s VAL 34 N -0.12 1.28 -0.23 2.92 1.01 0.16 -0.46 120.40 124.96 1xsk s VAL 34 Ca 0.04 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1xsk s VAL 34 Cb -0.13 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1xsk s VAL 34 CO 0.02 0.41 0.14 -0.31 0.00 0.00 0.00 175.10 175.36 1xsk s TYR 35 N 1.37 3.32 -0.02 5.22 2.02 -0.35 -0.11 117.35 128.80 1xsk s TYR 35 Ca 0.00 0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.96 1xsk s TYR 35 Cb -0.13 -2.23 -0.01 0.00 -0.40 0.00 0.00 41.96 39.19 1xsk s TYR 35 CO -0.06 0.10 -0.16 0.00 -1.57 0.00 0.00 175.55 173.86 1xsk s ALA 36 N 0.89 1.35 0.26 3.71 0.00 -0.38 -0.45 121.76 127.15 1xsk s ALA 36 Ca 0.07 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1xsk s ALA 36 Cb -0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1xsk s ALA 36 CO 0.03 0.29 0.43 0.00 0.00 0.00 0.00 175.76 176.51 1xsk s ALA 37 N -0.19 3.82 -2.20 0.00 0.00 -0.25 -0.72 121.76 122.22 1xsk s ALA 37 Ca 0.02 -0.99 0.20 0.00 0.00 0.00 0.00 51.96 51.20 1xsk s ALA 37 Cb -0.08 -1.94 0.85 0.00 0.00 0.00 0.00 23.12 21.95 1xsk s ALA 37 CO 0.00 0.23 1.59 -2.30 0.00 0.00 0.00 175.76 175.28 1xsk n PRO 38 N -1.27 1.53 -3.91 0.00 -0.02 -1.25 -0.42 135.00 129.66 1xsk n PRO 38 Ca -0.06 -0.80 -0.09 0.00 -2.02 0.00 0.00 63.50 60.53 1xsk n PRO 38 Cb 0.56 -1.37 -0.02 0.00 -0.02 0.00 0.00 33.50 32.65 1xsk n PRO 38 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1xsk s ARG 39 N -1.85 1.91 -0.15 -0.52 1.70 -1.26 -4.71 118.95 114.06 1xsk s ARG 39 Ca 0.31 -1.32 -0.29 0.00 -0.47 0.00 0.00 55.73 53.96 1xsk s ARG 39 Cb 0.16 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 35.07 1xsk s ARG 39 CO 0.25 -0.86 1.53 0.34 -1.08 0.00 0.00 175.30 175.48 1xsk s ASP 40 N -3.04 6.63 -0.26 -2.89 2.15 -1.26 -4.70 116.67 113.30 1xsk s ASP 40 Ca 0.18 1.83 0.11 0.00 0.43 0.00 0.00 52.55 55.10 1xsk s ASP 40 Cb -0.04 -2.53 0.46 0.00 -0.30 0.00 0.00 42.92 40.51 1xsk s ASP 40 CO 0.11 -1.02 1.18 1.33 -0.17 0.00 0.00 175.17 176.60 1xsk n VAL 41 N 5.83 2.15 0.10 1.11 0.24 -1.26 -4.76 118.33 121.74 1xsk n VAL 41 Ca 0.17 -3.70 -0.04 0.00 -2.04 0.00 0.00 64.34 58.72 1xsk n VAL 41 Cb 0.44 -0.47 0.13 0.00 -1.47 0.00 0.00 33.84 32.47 1xsk n VAL 41 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1xsk h ARG 42 N 2.03 0.16 -6.03 7.34 3.08 -1.92 -3.44 114.38 115.60 1xsk h ARG 42 Ca 0.20 -0.11 -0.61 0.00 0.07 0.00 0.00 59.98 59.53 1xsk h ARG 42 Cb 1.43 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.44 1xsk h ARG 42 CO 0.51 0.73 -0.19 -1.21 -1.07 0.00 0.00 179.97 178.74 1xsk s GLU 43 N -3.68 3.94 0.58 0.04 2.02 -1.26 -4.98 118.70 115.35 1xsk s GLU 43 Ca -0.03 0.44 0.28 0.00 0.02 0.00 0.00 54.97 55.67 1xsk s GLU 43 Cb 0.12 -3.22 1.68 0.00 0.10 0.00 0.00 34.13 32.81 1xsk s GLU 43 CO 0.79 0.69 2.17 0.00 0.02 0.00 0.00 175.26 178.93 1xsk h ARG 44 N 4.70 0.00 0.00 1.61 3.08 -1.99 -1.30 114.38 120.48 1xsk h ARG 44 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1xsk h ARG 44 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1xsk h ARG 44 CO 0.62 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.52 1xsk h THR 45 N 0.00 0.00 -0.32 2.04 1.03 -1.95 -2.33 112.91 111.37 1xsk h THR 45 Ca 0.04 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 1xsk h THR 45 Cb 0.23 1.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1xsk h THR 45 CO -0.00 0.00 0.00 0.79 -0.01 0.00 0.00 175.52 176.30 1xsk n TRP 46 N -2.88 0.56 -1.00 0.00 7.02 -0.49 -4.60 117.44 116.05 1xsk n TRP 46 Ca -0.00 -0.58 -0.24 0.00 -1.02 0.00 0.00 57.50 55.66 1xsk n TRP 46 Cb 0.21 -0.09 0.08 0.00 -2.42 0.00 0.00 31.31 29.10 1xsk n TRP 46 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1xsk n GLN 47 N 0.27 2.17 -3.76 -0.99 6.02 -0.88 -4.75 117.38 115.47 1xsk n GLN 47 Ca 0.13 -2.40 -0.09 0.00 -0.01 0.00 0.00 57.00 54.63 1xsk n GLN 47 Cb 0.52 -1.94 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 1xsk n GLN 47 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1xsk s LEU 48 N -2.76 -0.17 -1.41 1.08 0.05 -1.26 -4.98 118.68 109.23 1xsk s LEU 48 Ca 0.47 -0.49 -0.04 0.00 0.05 0.00 0.00 54.13 54.12 1xsk s LEU 48 Cb 0.38 2.46 0.03 0.00 -2.05 0.00 0.00 46.19 47.00 1xsk s LEU 48 CO 0.02 -1.18 0.68 0.47 -0.55 0.00 0.00 176.35 175.79 1xsk n ASP 49 N -0.41 -1.78 -3.65 1.48 8.00 -1.26 -4.99 116.55 113.95 1xsk n ASP 49 Ca -0.08 -0.88 -0.15 0.00 0.71 0.00 0.00 54.79 54.40 1xsk n ASP 49 Cb 0.61 -3.66 -0.08 0.00 -0.02 0.00 0.00 41.12 37.98 1xsk n ASP 49 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xsk s THR 50 N -3.66 0.01 1.01 -3.53 -1.32 -1.26 -5.16 115.64 101.73 1xsk s THR 50 Ca 0.18 -0.12 -0.12 0.00 -1.21 0.00 0.00 61.69 60.42 1xsk s THR 50 Cb -0.09 -0.81 0.19 0.00 -1.51 0.00 0.00 72.50 70.28 1xsk s THR 50 CO 0.84 -0.06 1.09 -2.84 -2.21 0.00 0.00 174.62 171.44 1xsk s PRO 51 N -0.61 0.35 -0.23 7.08 0.02 -1.26 -5.06 135.00 135.30 1xsk s PRO 51 Ca -0.07 0.57 -0.07 0.00 0.02 0.00 0.00 61.00 61.45 1xsk s PRO 51 Cb -0.03 -1.72 0.11 0.00 0.02 0.00 0.00 34.50 32.87 1xsk s PRO 51 CO 0.05 -2.80 0.47 -1.17 -0.33 0.00 0.00 177.00 173.22 1xsk s LEU 52 N -6.52 -0.77 0.23 -5.54 1.98 -1.26 -4.30 118.68 102.50 1xsk s LEU 52 Ca 0.65 1.04 -0.21 0.00 -2.89 0.00 0.00 54.13 52.73 1xsk s LEU 52 Cb -0.19 1.55 -0.08 0.00 0.66 0.00 0.00 46.19 48.13 1xsk s LEU 52 CO 0.58 -0.24 0.76 -0.36 -1.89 0.00 0.00 176.35 175.20 1xsk s PHE 53 N 2.67 3.66 -0.26 5.38 0.40 0.10 -4.85 117.98 125.09 1xsk s PHE 53 Ca -0.01 1.45 0.03 0.00 -0.60 0.00 0.00 56.93 57.80 1xsk s PHE 53 Cb -0.12 -2.66 0.06 0.00 0.51 0.00 0.00 43.02 40.80 1xsk s PHE 53 CO -0.15 0.33 -0.11 0.99 0.70 0.00 0.00 175.22 176.98 1xsk s THR 54 N -1.52 2.22 -0.19 0.64 2.01 -1.01 -1.25 115.64 116.54 1xsk s THR 54 Ca 0.44 -1.58 -0.07 0.00 0.31 0.00 0.00 61.69 60.78 1xsk s THR 54 Cb -0.17 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1xsk s THR 54 CO 0.21 -0.00 0.06 -0.76 -0.69 0.00 0.00 174.62 173.45 1xsk s LEU 55 N 1.12 3.76 -0.13 4.42 1.02 0.85 -1.35 118.68 128.38 1xsk s LEU 55 Ca -0.08 0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.14 1xsk s LEU 55 Cb -0.20 -1.96 0.01 0.00 0.02 0.00 0.00 46.19 44.06 1xsk s LEU 55 CO -0.05 0.15 -0.22 -0.60 0.02 0.00 0.00 176.35 175.65 1xsk s ARG 56 N 0.53 2.94 -0.10 1.70 3.52 -0.45 0.36 118.95 127.45 1xsk s ARG 56 Ca 0.03 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 54.78 1xsk s ARG 56 Cb -0.13 -2.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 1xsk s ARG 56 CO 0.01 0.02 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.46 1xsk s PHE 57 N 0.72 3.12 0.34 5.12 0.08 0.69 -1.36 117.98 126.70 1xsk s PHE 57 Ca -0.10 0.11 -0.13 0.00 0.12 0.00 0.00 56.93 56.93 1xsk s PHE 57 Cb -0.16 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1xsk s PHE 57 CO 0.01 0.37 0.66 -0.59 -0.10 0.00 0.00 175.22 175.57 1xsk s PHE 58 N -0.65 0.30 -0.07 0.36 -0.71 -0.61 -1.57 117.98 115.04 1xsk s PHE 58 Ca 0.10 -0.80 -0.02 0.00 -1.04 0.00 0.00 56.93 55.17 1xsk s PHE 58 Cb -0.12 0.52 0.04 0.00 -1.21 0.00 0.00 43.02 42.24 1xsk s PHE 58 CO 0.02 -1.33 0.06 0.45 -1.34 0.00 0.00 175.22 173.08 1xsk s SER 59 N -3.07 1.42 0.21 1.98 0.15 -1.26 0.13 113.70 113.26 1xsk s SER 59 Ca 0.19 -0.07 0.17 0.00 0.70 0.00 0.00 55.95 56.94 1xsk s SER 59 Cb -0.04 -0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1xsk s SER 59 CO 0.12 -0.26 1.20 1.55 1.20 0.00 0.00 173.24 177.05 1xsk h PRO 60 N 8.42 0.00 -3.14 5.44 0.13 -1.81 -3.43 132.00 137.61 1xsk h PRO 60 Ca -0.13 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.90 1xsk h PRO 60 Cb 1.13 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.08 1xsk h PRO 60 CO 0.19 0.33 -0.22 -0.65 -0.23 0.00 0.00 178.00 177.42 1xsk s GLN 61 N -3.01 0.80 0.03 0.86 -1.52 -1.26 -1.47 119.66 114.08 1xsk s GLN 61 Ca 0.01 -0.37 -0.34 0.00 -1.95 0.00 0.00 55.36 52.71 1xsk s GLN 61 Cb 0.08 0.35 -0.13 0.00 -0.22 0.00 0.00 33.01 33.09 1xsk s GLN 61 CO 0.77 -0.25 1.71 -1.91 -0.25 0.00 0.00 175.29 175.36 1xsk n GLU 62 N 0.76 2.11 -0.67 2.91 0.00 -1.26 -1.16 120.64 123.33 1xsk n GLU 62 Ca -0.19 0.77 0.00 0.00 0.00 0.00 0.00 57.16 57.73 1xsk n GLU 62 Cb 0.58 -2.57 0.00 0.00 0.00 0.00 0.00 31.44 29.46 1xsk n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xsk n GLY 63 N 3.86 0.70 3.05 8.31 0.00 -1.25 -4.91 105.19 114.94 1xsk n GLY 63 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1xsk n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsk s ILE 64 N -2.25 1.52 -0.24 -0.61 1.01 -0.31 -1.95 121.20 118.37 1xsk s ILE 64 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 1xsk s ILE 64 Cb 0.00 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1xsk s ILE 64 CO 0.00 0.45 -0.01 -0.69 0.00 0.00 0.00 174.94 174.69 1xsk s VAL 65 N 1.12 3.59 0.00 2.92 1.01 -0.70 -4.01 120.40 124.34 1xsk s VAL 65 Ca -0.04 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 1xsk s VAL 65 Cb -0.14 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1xsk s VAL 65 CO -0.04 0.35 0.59 -0.83 0.00 0.00 0.00 175.10 175.17 1xsk s GLY 66 N 1.50 2.62 -0.15 4.51 0.00 0.34 -1.49 107.32 114.65 1xsk s GLY 66 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1xsk s GLY 66 CO -0.01 0.72 -0.13 0.14 0.00 0.00 0.00 173.10 173.82 1xsk s VAL 67 N -0.28 1.49 -0.27 1.40 1.01 -0.02 -1.57 120.40 122.16 1xsk s VAL 67 Ca 0.31 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1xsk s VAL 67 Cb -0.18 -1.43 0.07 0.00 0.00 0.00 0.00 36.38 34.84 1xsk s VAL 67 CO 0.17 0.42 -0.03 -0.60 0.00 0.00 0.00 175.10 175.06 1xsk s ARG 68 N 1.51 1.64 -0.26 2.72 3.52 -0.47 -1.55 118.95 126.07 1xsk s ARG 68 Ca 0.04 -1.30 -0.10 0.00 -0.13 0.00 0.00 55.73 54.24 1xsk s ARG 68 Cb -0.13 -2.75 -0.05 0.00 -1.56 0.00 0.00 34.95 30.46 1xsk s ARG 68 CO -0.10 -0.72 0.16 -1.50 -0.81 0.00 0.00 175.30 172.33 1xsk s ILE 69 N 1.23 5.19 0.13 4.11 2.07 0.45 -1.34 121.20 133.04 1xsk s ILE 69 Ca -0.01 0.13 0.09 0.00 -1.41 0.00 0.00 60.65 59.45 1xsk s ILE 69 Cb -0.19 -3.45 -0.04 0.00 0.13 0.00 0.00 42.46 38.91 1xsk s ILE 69 CO -0.08 0.30 -0.18 -1.61 -1.91 0.00 0.00 174.94 171.46 1xsk s GLU 70 N 1.47 1.78 0.00 3.50 2.02 -0.45 -0.29 118.70 126.72 1xsk s GLU 70 Ca 0.07 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.84 1xsk s GLU 70 Cb -0.15 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1xsk s GLU 70 CO 0.08 0.47 0.00 1.58 0.02 0.00 0.00 175.26 177.41 1xsk n HIS 71 N 0.69 0.00 -2.92 1.61 -0.00 -0.09 -2.39 115.22 112.12 1xsk n HIS 71 Ca -0.15 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.17 1xsk n HIS 71 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.46 1xsk n HIS 71 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1xsk s PHE 72 N 1.42 3.91 -2.86 1.57 0.08 -1.25 -4.86 117.98 115.99 1xsk s PHE 72 Ca 0.00 1.69 0.24 0.00 0.12 0.00 0.00 56.93 58.99 1xsk s PHE 72 Cb 0.00 -2.84 0.27 0.00 -0.57 0.00 0.00 43.02 39.89 1xsk s PHE 72 CO 0.00 0.46 1.30 1.04 -0.10 0.00 0.00 175.22 177.93 1xsk n GLN 73 N 1.76 2.15 0.00 0.44 6.02 -1.26 -4.34 117.38 122.15 1xsk n GLN 73 Ca -0.04 -1.74 0.14 0.00 -0.01 0.00 0.00 57.00 55.36 1xsk n GLN 73 Cb 0.48 -1.46 0.75 0.00 1.02 0.00 0.00 30.24 31.04 1xsk n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsk n GLY 74 N 1.34 -1.21 3.74 1.08 0.00 -1.26 -4.88 105.19 103.99 1xsk n GLY 74 Ca 0.14 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xsk n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsk s ALA 75 N -2.50 2.17 0.25 4.61 0.00 -1.26 -4.94 121.76 120.08 1xsk s ALA 75 Ca 0.30 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 1xsk s ALA 75 Cb 0.20 -3.39 0.29 0.00 0.00 0.00 0.00 23.12 20.22 1xsk s ALA 75 CO 0.43 -1.78 1.69 -0.07 0.00 0.00 0.00 175.76 176.04 1xsk h LEU 76 N -0.51 0.71 -3.48 0.00 3.38 -1.99 -3.48 115.31 109.94 1xsk h LEU 76 Ca -0.46 -0.22 -0.42 0.00 0.09 0.00 0.00 57.88 56.87 1xsk h LEU 76 Cb 1.27 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xsk h LEU 76 CO 0.50 0.87 -0.98 0.59 0.09 0.00 0.00 178.44 179.51 1xsk n ASN 77 N -4.15 -4.21 -4.93 -0.43 3.02 -1.26 -4.95 115.26 98.35 1xsk n ASN 77 Ca 0.01 -0.76 -0.25 0.00 -0.03 0.00 0.00 54.58 53.54 1xsk n ASN 77 Cb 0.38 -1.38 0.03 0.00 -0.61 0.00 0.00 39.78 38.20 1xsk n ASN 77 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1xsk s ASN 78 N -2.64 5.64 1.04 6.41 0.01 -1.26 -5.10 114.94 119.03 1xsk s ASN 78 Ca 0.04 0.58 -0.08 0.00 -0.71 0.00 0.00 52.86 52.69 1xsk s ASN 78 Cb -0.00 -1.63 0.11 0.00 0.41 0.00 0.00 41.25 40.13 1xsk s ASN 78 CO 0.78 -0.97 0.57 0.61 -1.51 0.00 0.00 177.10 176.57 1xsk n GLY 79 N -2.44 -1.71 3.90 0.66 0.00 -1.26 -4.66 105.19 99.67 1xsk n GLY 79 Ca 0.04 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 1xsk n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xsk s PRO 80 N -4.25 1.95 0.20 1.61 0.04 -1.26 -0.67 135.00 132.62 1xsk s PRO 80 Ca 0.33 0.11 0.09 0.00 0.04 0.00 0.00 61.00 61.57 1xsk s PRO 80 Cb -0.02 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1xsk s PRO 80 CO 0.24 -1.61 -0.17 -1.01 0.04 0.00 0.00 177.00 174.49 1xsk s HIS 81 N -3.58 1.84 0.72 0.56 3.76 -1.26 -4.84 115.29 112.49 1xsk s HIS 81 Ca 0.62 -0.49 -0.16 0.00 -0.15 0.00 0.00 55.06 54.88 1xsk s HIS 81 Cb -0.11 -0.87 0.02 0.00 1.11 0.00 0.00 32.58 32.73 1xsk s HIS 81 CO 0.49 0.39 1.12 0.66 -0.85 0.00 0.00 174.74 176.55 1xsk n TYR 82 N -0.10 1.18 -0.84 1.40 4.01 -1.26 -4.83 117.16 116.72 1xsk n TYR 82 Ca -0.10 0.41 -0.16 0.00 -0.16 0.00 0.00 57.90 57.89 1xsk n TYR 82 Cb 0.59 -2.14 -0.10 0.00 -0.31 0.00 0.00 39.34 37.38 1xsk n TYR 82 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xsk n PRO 83 N -2.22 1.94 -2.25 -0.72 -0.04 -1.26 -4.94 135.00 125.50 1xsk n PRO 83 Ca 0.14 -1.09 -0.41 0.00 -0.04 0.00 0.00 63.50 62.11 1xsk n PRO 83 Cb 0.49 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 1xsk n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsk s LEU 84 N 0.04 4.47 -0.56 1.53 1.02 -1.26 -4.73 118.68 119.19 1xsk s LEU 84 Ca 0.52 2.53 -0.19 0.00 0.02 0.00 0.00 54.13 57.02 1xsk s LEU 84 Cb 0.21 -3.64 0.09 0.00 0.02 0.00 0.00 46.19 42.88 1xsk s LEU 84 CO -0.01 -0.39 0.66 0.20 0.02 0.00 0.00 176.35 176.83 1xsk s ASN 85 N -0.62 6.19 -0.22 2.29 0.01 0.40 -5.03 114.94 117.96 1xsk s ASN 85 Ca 0.47 -1.35 -0.04 0.00 -0.71 0.00 0.00 52.86 51.23 1xsk s ASN 85 Cb -0.37 -2.29 -0.01 0.00 0.41 0.00 0.00 41.25 38.99 1xsk s ASN 85 CO 0.48 -1.03 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.39 1xsk s ILE 86 N 2.54 3.54 0.04 0.60 1.01 -1.26 -4.75 121.20 122.91 1xsk s ILE 86 Ca 0.11 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 1xsk s ILE 86 Cb -0.24 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 1xsk s ILE 86 CO 0.07 0.42 0.33 -0.76 0.00 0.00 0.00 174.94 175.00 1xsk s LEU 87 N 1.38 4.36 0.00 2.97 1.43 -0.54 -5.01 118.68 123.28 1xsk s LEU 87 Ca 0.05 0.68 0.22 0.00 -1.03 0.00 0.00 54.13 54.04 1xsk s LEU 87 Cb -0.14 -2.82 -0.14 0.00 0.03 0.00 0.00 46.19 43.11 1xsk s LEU 87 CO -0.02 0.22 0.90 0.00 0.23 0.00 0.00 176.35 177.68 1xsk n GLN 88 N 1.03 0.14 -0.75 1.70 1.13 -1.26 -4.46 117.38 114.90 1xsk n GLN 88 Ca -0.10 -0.03 -0.03 0.00 -1.94 0.00 0.00 57.00 54.91 1xsk n GLN 88 Cb 0.53 -1.52 0.21 0.00 0.11 0.00 0.00 30.24 29.57 1xsk n GLN 88 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xsk n ASP 89 N -1.67 2.80 -4.74 1.08 5.75 -1.26 -4.99 116.55 113.51 1xsk n ASP 89 Ca 0.03 -3.62 -0.41 0.00 -0.01 0.00 0.00 54.79 50.77 1xsk n ASP 89 Cb 0.38 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 1xsk n ASP 89 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xsk s VAL 90 N -3.17 2.89 -0.32 2.12 1.01 -1.26 -4.93 120.40 116.74 1xsk s VAL 90 Ca 0.45 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.87 1xsk s VAL 90 Cb 0.40 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1xsk s VAL 90 CO 0.02 0.11 1.24 -0.75 0.00 0.00 0.00 175.10 175.72 1xsk s LYS 91 N -0.17 3.94 0.27 2.72 2.20 -1.26 -5.01 119.74 122.43 1xsk s LYS 91 Ca 0.59 1.16 0.05 0.00 -0.36 0.00 0.00 55.97 57.41 1xsk s LYS 91 Cb -0.40 -3.85 -0.06 0.00 -1.51 0.00 0.00 37.83 32.02 1xsk s LYS 91 CO 0.40 -1.08 -0.01 0.14 -0.36 0.00 0.00 175.35 174.44 1xsk s VAL 92 N 4.21 1.28 -0.13 4.02 -7.23 -1.26 -4.44 120.40 116.84 1xsk s VAL 92 Ca 0.53 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1xsk s VAL 92 Cb -0.15 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.32 1xsk s VAL 92 CO 0.22 -0.24 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.72 1xsk s THR 93 N -3.25 1.62 -0.22 5.32 2.01 -0.11 -4.98 115.64 116.04 1xsk s THR 93 Ca 0.31 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 1xsk s THR 93 Cb 0.06 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 71.11 1xsk s THR 93 CO 0.11 0.47 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.76 1xsk s ILE 94 N 1.14 2.56 -0.20 1.82 1.01 -1.26 -0.82 121.20 125.46 1xsk s ILE 94 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1xsk s ILE 94 Cb -0.14 -2.22 0.05 0.00 0.01 0.00 0.00 42.46 40.16 1xsk s ILE 94 CO -0.05 0.34 -0.06 -1.83 0.00 0.00 0.00 174.94 173.34 1xsk s GLU 95 N 1.31 1.62 -0.63 2.79 -1.05 -0.53 -5.01 118.70 117.20 1xsk s GLU 95 Ca 0.02 -0.79 -0.11 0.00 -0.15 0.00 0.00 54.97 53.94 1xsk s GLU 95 Cb -0.15 -2.36 0.16 0.00 -0.44 0.00 0.00 34.13 31.34 1xsk s GLU 95 CO -0.08 -0.51 0.53 1.21 0.95 0.00 0.00 175.26 177.36 1xsk s ASN 96 N 1.49 6.06 0.35 0.83 2.47 -1.26 -1.40 114.94 123.47 1xsk s ASN 96 Ca -0.03 -2.32 0.00 0.00 0.42 0.00 0.00 52.86 50.93 1xsk s ASN 96 Cb -0.17 -2.08 0.02 0.00 -1.45 0.00 0.00 41.25 37.57 1xsk s ASN 96 CO -0.07 -0.62 0.17 0.35 -3.72 0.00 0.00 177.10 173.21 1xsk n THR 97 N 4.40 0.00 0.07 -5.21 -2.24 0.14 -5.00 114.28 106.43 1xsk n THR 97 Ca 0.01 -0.31 -0.06 0.00 -2.27 0.00 0.00 64.05 61.42 1xsk n THR 97 Cb 0.42 -1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.37 1xsk n THR 97 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1xsk h GLU 98 N 0.00 0.00 0.02 -0.78 3.07 -2.03 -3.35 114.58 111.52 1xsk h GLU 98 Ca -0.06 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.47 1xsk h GLU 98 Cb 0.22 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.08 1xsk h GLU 98 CO 0.07 0.96 -2.01 -2.13 -1.40 0.00 0.00 179.01 174.50 1xsk n ARG 99 N -3.36 0.67 -4.24 2.33 0.63 -1.26 -4.80 116.66 106.63 1xsk n ARG 99 Ca 0.00 0.20 -0.14 0.00 -0.92 0.00 0.00 57.85 56.99 1xsk n ARG 99 Cb 0.92 -1.68 -0.10 0.00 0.45 0.00 0.00 32.46 32.05 1xsk n ARG 99 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1xsk s TYR 100 N -2.56 1.32 -0.09 -0.14 1.51 -1.26 -2.05 117.35 114.10 1xsk s TYR 100 Ca -0.12 -1.35 -0.02 0.00 -1.01 0.00 0.00 57.07 54.58 1xsk s TYR 100 Cb 0.07 -0.68 0.03 0.00 -0.11 0.00 0.00 41.96 41.28 1xsk s TYR 100 CO 0.80 -0.57 0.02 0.00 -1.11 0.00 0.00 175.55 174.68 1xsk s ALA 101 N -3.97 0.66 -0.03 3.71 0.00 -0.67 -0.69 121.76 120.77 1xsk s ALA 101 Ca 0.39 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1xsk s ALA 101 Cb 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1xsk s ALA 101 CO 0.14 -0.58 -0.10 -2.00 0.00 0.00 0.00 175.76 173.22 1xsk s GLU 102 N 1.99 1.08 -0.12 0.00 2.12 -0.49 -0.79 118.70 122.48 1xsk s GLU 102 Ca 0.04 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.06 1xsk s GLU 102 Cb -0.13 -0.99 -0.01 0.00 0.26 0.00 0.00 34.13 33.27 1xsk s GLU 102 CO -0.05 0.11 -0.18 0.12 -0.54 0.00 0.00 175.26 174.71 1xsk s PHE 103 N 0.24 2.69 -0.04 5.30 5.36 -0.49 -1.45 117.98 129.59 1xsk s PHE 103 Ca -0.04 -0.87 0.02 0.00 -0.96 0.00 0.00 56.93 55.08 1xsk s PHE 103 Cb -0.10 -1.78 0.01 0.00 -0.34 0.00 0.00 43.02 40.81 1xsk s PHE 103 CO 0.01 -0.33 -0.10 0.21 -1.46 0.00 0.00 175.22 173.55 1xsk s LYS 104 N 0.38 1.21 -0.06 10.12 2.20 0.00 -0.16 119.74 133.44 1xsk s LYS 104 Ca -0.14 -0.34 -0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1xsk s LYS 104 Cb -0.17 -1.09 0.02 0.00 -1.51 0.00 0.00 37.83 35.09 1xsk s LYS 104 CO 0.07 0.08 -0.03 0.45 -0.36 0.00 0.00 175.35 175.56 1xsk s SER 105 N 0.40 1.32 1.77 1.43 0.15 0.85 -0.93 113.70 118.69 1xsk s SER 105 Ca -0.07 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1xsk s SER 105 Cb -0.12 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 1xsk s SER 105 CO 0.01 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1xsk n GLY 106 N 4.58 3.26 1.35 9.45 0.00 -1.26 -1.13 105.19 121.43 1xsk n GLY 106 Ca -0.16 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.77 1xsk n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsk n ASN 107 N 4.61 4.09 -4.52 1.61 3.02 -1.26 -4.92 115.26 117.89 1xsk n ASN 107 Ca 0.00 -2.14 -0.34 0.00 -0.03 0.00 0.00 54.58 52.08 1xsk n ASN 107 Cb 0.00 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.56 1xsk n ASN 107 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xsk s LEU 108 N -1.26 3.06 0.04 3.41 2.96 -0.29 -1.05 118.68 125.56 1xsk s LEU 108 Ca 0.47 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1xsk s LEU 108 Cb 0.26 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 1xsk s LEU 108 CO 0.29 0.29 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.63 1xsk s SER 109 N -0.40 0.52 -0.14 3.68 1.04 -0.32 -0.11 113.70 117.97 1xsk s SER 109 Ca 0.05 -0.62 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 1xsk s SER 109 Cb -0.12 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 1xsk s SER 109 CO 0.02 -0.33 -0.11 0.00 0.98 0.00 0.00 173.24 173.80 1xsk s ALA 110 N -1.94 2.67 -0.09 5.32 0.00 0.77 -0.51 121.76 127.98 1xsk s ALA 110 Ca -0.09 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1xsk s ALA 110 Cb -0.06 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.77 1xsk s ALA 110 CO -0.02 0.15 -0.14 0.50 0.00 0.00 0.00 175.76 176.25 1xsk s ARG 111 N 0.50 1.98 -0.16 0.00 3.52 0.33 -1.39 118.95 123.74 1xsk s ARG 111 Ca -0.08 -0.49 -0.05 0.00 -0.13 0.00 0.00 55.73 54.97 1xsk s ARG 111 Cb -0.15 -1.66 -0.04 0.00 -1.56 0.00 0.00 34.95 31.54 1xsk s ARG 111 CO 0.04 -0.01 0.03 0.08 -0.81 0.00 0.00 175.30 174.63 1xsk s VAL 112 N 0.81 4.51 -0.12 7.11 1.01 0.03 -0.28 120.40 133.46 1xsk s VAL 112 Ca -0.11 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.53 1xsk s VAL 112 Cb -0.16 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1xsk s VAL 112 CO 0.02 0.50 0.55 -0.44 0.00 0.00 0.00 175.10 175.73 1xsk s SER 113 N 0.09 6.75 0.84 3.32 0.01 -0.50 -1.68 113.70 122.54 1xsk s SER 113 Ca 0.03 0.90 -0.08 0.00 1.31 0.00 0.00 55.95 58.11 1xsk s SER 113 Cb -0.13 -2.32 0.17 0.00 0.21 0.00 0.00 66.02 63.95 1xsk s SER 113 CO 0.01 -0.07 1.16 -0.54 0.41 0.00 0.00 173.24 174.22 1xsk s LYS 114 N 0.86 1.11 1.47 12.44 1.02 -0.87 -4.17 119.74 131.60 1xsk s LYS 114 Ca 0.29 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.44 1xsk s LYS 114 Cb -0.16 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1xsk s LYS 114 CO 0.12 -1.96 0.00 0.41 -0.92 0.00 0.00 175.35 173.00 1xsk n GLY 115 N -3.30 -1.51 0.19 -3.33 0.00 -1.26 -4.36 105.19 91.62 1xsk n GLY 115 Ca 0.16 -1.50 0.01 0.00 0.00 0.00 0.00 46.02 44.69 1xsk n GLY 115 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsk h GLU 116 N 0.00 0.11 -3.73 1.61 4.81 -1.93 -3.40 114.58 112.05 1xsk h GLU 116 Ca 0.00 -0.05 -0.72 0.00 -0.13 0.00 0.00 59.36 58.46 1xsk h GLU 116 Cb 0.00 -0.00 -0.32 0.00 0.63 0.00 0.00 28.75 29.05 1xsk h GLU 116 CO 0.00 0.47 -0.26 -0.06 -0.73 0.00 0.00 179.01 178.44 1xsk s PHE 117 N -4.20 3.50 0.47 0.92 0.08 -1.26 -5.00 117.98 112.49 1xsk s PHE 117 Ca -0.04 -2.46 -0.24 0.00 0.12 0.00 0.00 56.93 54.32 1xsk s PHE 117 Cb 0.14 -3.38 -0.07 0.00 -0.57 0.00 0.00 43.02 39.14 1xsk s PHE 117 CO 0.74 -0.89 1.28 -0.46 -0.10 0.00 0.00 175.22 175.79 1xsk s TRP 118 N 0.14 2.66 -0.28 0.36 -0.11 -1.26 -4.72 118.94 115.73 1xsk s TRP 118 Ca 0.16 1.44 -0.23 0.00 1.22 0.00 0.00 56.10 58.69 1xsk s TRP 118 Cb -0.18 -3.62 0.13 0.00 -1.50 0.00 0.00 33.47 28.29 1xsk s TRP 118 CO -0.05 -2.16 1.01 0.45 -4.62 0.00 0.00 176.95 171.58 1xsk s SER 119 N -1.01 -0.48 -0.22 5.86 0.15 -1.26 -4.04 113.70 112.70 1xsk s SER 119 Ca 0.64 0.88 -0.02 0.00 0.70 0.00 0.00 55.95 58.15 1xsk s SER 119 Cb -0.36 0.97 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 1xsk s SER 119 CO 0.44 -0.15 -0.08 -0.22 1.20 0.00 0.00 173.24 174.43 1xsk s LEU 120 N 0.51 2.85 0.06 3.45 0.20 -0.67 -1.41 118.68 123.68 1xsk s LEU 120 Ca 0.00 -0.64 0.07 0.00 0.69 0.00 0.00 54.13 54.25 1xsk s LEU 120 Cb -0.05 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 44.03 1xsk s LEU 120 CO -0.08 -0.06 -0.20 -1.81 -0.29 0.00 0.00 176.35 173.91 1xsk s ASP 121 N 1.38 2.39 -0.16 3.68 1.01 0.61 -0.78 116.67 124.80 1xsk s ASP 121 Ca 0.03 -0.57 -0.00 0.00 0.71 0.00 0.00 52.55 52.72 1xsk s ASP 121 Cb -0.15 -0.17 -0.01 0.00 1.01 0.00 0.00 42.92 43.61 1xsk s ASP 121 CO -0.06 0.11 -0.13 -0.36 0.21 0.00 0.00 175.17 174.94 1xsk s PHE 122 N -0.94 2.82 0.05 4.23 0.08 -0.45 0.12 117.98 123.90 1xsk s PHE 122 Ca 0.06 -0.93 0.08 0.00 0.12 0.00 0.00 56.93 56.27 1xsk s PHE 122 Cb -0.09 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1xsk s PHE 122 CO 0.03 -0.42 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.00 1xsk s LEU 123 N 0.79 2.19 -0.25 -0.37 2.01 0.33 -1.47 118.68 121.91 1xsk s LEU 123 Ca -0.05 -0.56 -0.03 0.00 0.01 0.00 0.00 54.13 53.50 1xsk s LEU 123 Cb -0.15 -1.04 0.02 0.00 0.01 0.00 0.00 46.19 45.03 1xsk s LEU 123 CO 0.01 0.17 -0.03 -0.60 1.01 0.00 0.00 176.35 176.90 1xsk s ARG 124 N -1.31 2.98 -1.44 1.70 3.52 0.30 -1.18 118.95 123.53 1xsk s ARG 124 Ca 0.08 -0.89 -0.09 0.00 -0.13 0.00 0.00 55.73 54.71 1xsk s ARG 124 Cb -0.09 -3.05 0.05 0.00 -1.56 0.00 0.00 34.95 30.30 1xsk s ARG 124 CO 0.02 -0.37 0.89 0.09 -0.81 0.00 0.00 175.30 175.12 1xsk n ASN 125 N 4.73 -3.53 0.00 -2.12 3.02 -0.21 -1.13 115.26 116.01 1xsk n ASN 125 Ca -0.16 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1xsk n ASN 125 Cb 0.48 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 1xsk n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsk n GLY 126 N -1.67 0.46 3.45 7.41 0.00 -1.26 -5.02 105.19 108.56 1xsk n GLY 126 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1xsk n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsk s GLU 127 N -0.41 2.34 -0.31 1.61 2.56 -0.29 -4.99 118.70 119.22 1xsk s GLU 127 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 54.97 53.88 1xsk s GLU 127 Cb 0.00 -2.28 -0.01 0.00 2.00 0.00 0.00 34.13 33.84 1xsk s GLU 127 CO 0.00 0.59 1.45 0.50 -0.56 0.00 0.00 175.26 177.25 1xsk s ARG 128 N -0.90 3.75 -0.10 4.30 3.52 -1.26 0.11 118.95 128.37 1xsk s ARG 128 Ca 0.12 1.29 0.19 0.00 -0.13 0.00 0.00 55.73 57.20 1xsk s ARG 128 Cb -0.10 -3.98 -0.26 0.00 -1.56 0.00 0.00 34.95 29.04 1xsk s ARG 128 CO 0.02 -1.34 0.34 0.44 -0.81 0.00 0.00 175.30 173.94 1xsk n ILE 129 N 6.59 0.94 -3.98 4.11 -5.35 -0.54 -4.95 119.36 116.18 1xsk n ILE 129 Ca 0.17 -0.72 0.01 0.00 -0.27 0.00 0.00 62.75 61.94 1xsk n ILE 129 Cb 0.47 -0.38 0.01 0.00 -1.74 0.00 0.00 39.64 38.00 1xsk n ILE 129 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1xsk s THR 130 N -2.88 0.00 0.00 7.28 -1.32 -1.23 -4.87 115.64 112.62 1xsk s THR 130 Ca -0.08 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1xsk s THR 130 Cb 0.09 -2.98 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 1xsk s THR 130 CO 0.85 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.87 1xsk n GLY 131 N -0.87 -0.06 3.39 6.08 0.00 -1.26 -1.34 105.19 111.13 1xsk n GLY 131 Ca 0.02 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1xsk n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsk s SER 132 N 0.00 4.51 0.59 1.61 0.15 0.04 -0.86 113.70 119.74 1xsk s SER 132 Ca 0.00 -0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.27 1xsk s SER 132 Cb 0.00 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 1xsk s SER 132 CO 0.00 0.05 0.96 -1.10 1.20 0.00 0.00 173.24 174.36 1xsk s GLN 133 N 1.05 3.42 0.17 5.44 -0.21 -1.26 -1.67 119.66 126.60 1xsk s GLN 133 Ca 0.01 0.50 -0.34 0.00 0.02 0.00 0.00 55.36 55.55 1xsk s GLN 133 Cb -0.15 -2.17 -0.15 0.00 1.00 0.00 0.00 33.01 31.55 1xsk s GLN 133 CO 0.00 -0.55 1.42 1.55 -2.12 0.00 0.00 175.29 175.59 1xsk n VAL 134 N -2.64 0.41 -1.16 1.09 3.14 -1.26 -1.44 118.33 116.47 1xsk n VAL 134 Ca 0.05 -0.10 -0.06 0.00 -2.96 0.00 0.00 64.34 61.27 1xsk n VAL 134 Cb 0.55 -1.26 -0.02 0.00 -1.06 0.00 0.00 33.84 32.04 1xsk n VAL 134 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1xsk n LYS 135 N 2.57 -0.48 -0.42 1.45 5.02 -1.26 -4.91 118.16 120.13 1xsk n LYS 135 Ca 0.15 0.64 0.08 0.00 -2.02 0.00 0.00 58.31 57.16 1xsk n LYS 135 Cb 0.27 -4.37 0.25 0.00 -0.02 0.00 0.00 35.03 31.16 1xsk n LYS 135 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xsk n ASN 136 N 0.74 3.88 -3.84 4.39 3.02 -0.52 -4.96 115.26 117.97 1xsk n ASN 136 Ca -0.06 -2.61 -0.09 0.00 -0.03 0.00 0.00 54.58 51.80 1xsk n ASN 136 Cb 0.21 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.87 1xsk n ASN 136 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsk s ASN 137 N -1.40 -0.21 0.00 6.41 4.22 -1.26 -0.96 114.94 121.74 1xsk s ASN 137 Ca 0.39 -0.64 0.00 0.00 -2.14 0.00 0.00 52.86 50.47 1xsk s ASN 137 Cb 0.28 0.60 0.00 0.00 1.28 0.00 0.00 41.25 43.41 1xsk s ASN 137 CO 0.14 -1.13 0.00 0.61 -2.04 0.00 0.00 177.10 174.68 1xsk n GLY 138 N -0.37 0.73 3.42 0.45 0.00 -0.74 -4.39 105.19 104.28 1xsk n GLY 138 Ca -0.07 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 1xsk n GLY 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xsk s TYR 139 N -3.33 2.75 -0.14 1.61 5.04 -0.17 -1.26 117.35 121.84 1xsk s TYR 139 Ca 0.00 -0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 54.22 1xsk s TYR 139 Cb 0.00 -1.73 -0.02 0.00 0.35 0.00 0.00 41.96 40.56 1xsk s TYR 139 CO 0.00 -0.01 -0.10 0.08 -1.34 0.00 0.00 175.55 174.18 1xsk s VAL 140 N -0.21 3.30 -0.37 3.14 1.01 0.26 -2.25 120.40 125.28 1xsk s VAL 140 Ca 0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1xsk s VAL 140 Cb -0.13 -2.41 0.10 0.00 0.00 0.00 0.00 36.38 33.94 1xsk s VAL 140 CO 0.03 0.51 0.12 -1.58 0.00 0.00 0.00 175.10 174.19 1xsk s GLN 141 N 0.39 1.95 -0.38 2.72 0.74 -0.41 -0.86 119.66 123.80 1xsk s GLN 141 Ca -0.08 -1.73 -0.28 0.00 0.05 0.00 0.00 55.36 53.32 1xsk s GLN 141 Cb -0.15 -3.41 0.02 0.00 1.10 0.00 0.00 33.01 30.57 1xsk s GLN 141 CO 0.05 -0.95 1.02 0.34 -0.55 0.00 0.00 175.29 175.20 1xsk s ASP 142 N 1.48 6.74 0.41 6.67 -1.08 0.26 -1.62 116.67 129.53 1xsk s ASP 142 Ca 0.06 0.68 0.23 0.00 -0.52 0.00 0.00 52.55 53.00 1xsk s ASP 142 Cb -0.21 -2.51 0.29 0.00 -1.46 0.00 0.00 42.92 39.03 1xsk s ASP 142 CO -0.05 -0.97 1.54 0.74 0.52 0.00 0.00 175.17 176.95 1xsk h THR 143 N 5.90 0.01 -0.29 1.71 2.02 -0.54 -1.72 112.91 120.00 1xsk h THR 143 Ca -0.22 -1.02 -0.15 0.00 0.77 0.00 0.00 66.41 65.78 1xsk h THR 143 Cb 1.07 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 1xsk h THR 143 CO 1.03 0.01 -0.44 0.78 0.37 0.00 0.00 175.52 177.28 1xsk h ASN 144 N 0.00 0.80 0.00 4.18 2.35 -1.89 -3.34 115.58 117.68 1xsk h ASN 144 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1xsk h ASN 144 Cb 1.01 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1xsk h ASN 144 CO 0.00 1.13 -0.07 -0.46 -1.65 0.00 0.00 177.43 176.38 1xsk n ASN 145 N -4.03 1.40 -2.14 5.81 0.23 -1.25 -5.00 115.26 110.29 1xsk n ASN 145 Ca -0.02 -2.06 -0.18 0.00 -0.53 0.00 0.00 54.58 51.79 1xsk n ASN 145 Cb 0.56 -0.13 -0.03 0.00 -2.08 0.00 0.00 39.78 38.09 1xsk n ASN 145 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsk n GLN 146 N -0.56 -1.73 -4.07 -3.83 1.13 -0.67 -4.97 117.38 102.68 1xsk n GLN 146 Ca 0.04 0.92 -0.32 0.00 -1.94 0.00 0.00 57.00 55.70 1xsk n GLN 146 Cb 0.46 -5.47 -0.07 0.00 0.11 0.00 0.00 30.24 25.28 1xsk n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xsk s ARG 147 N -4.56 2.99 -0.03 -1.09 0.52 -1.10 -4.94 118.95 110.75 1xsk s ARG 147 Ca 0.00 -0.59 0.07 0.00 -0.52 0.00 0.00 55.73 54.69 1xsk s ARG 147 Cb 0.00 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 1xsk s ARG 147 CO 0.00 0.60 -0.24 -0.80 0.02 0.00 0.00 175.30 174.89 1xsk s ASN 148 N -2.11 2.81 0.14 0.23 0.01 -1.26 -0.57 114.94 114.19 1xsk s ASN 148 Ca 0.27 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 52.02 1xsk s ASN 148 Cb -0.12 -0.41 -0.04 0.00 0.41 0.00 0.00 41.25 41.09 1xsk s ASN 148 CO 0.19 0.28 -0.10 -0.31 -1.51 0.00 0.00 177.10 175.65 1xsk s TYR 149 N -0.47 1.25 -0.02 2.20 2.02 -0.04 -3.07 117.35 119.22 1xsk s TYR 149 Ca 0.07 -0.75 0.07 0.00 -0.37 0.00 0.00 57.07 56.08 1xsk s TYR 149 Cb -0.10 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.80 1xsk s TYR 149 CO -0.00 0.08 -0.21 -1.64 -1.57 0.00 0.00 175.55 172.20 1xsk s MET 150 N -3.66 2.22 0.10 -0.62 -1.94 -0.90 0.91 119.30 115.40 1xsk s MET 150 Ca 0.16 -0.87 -0.03 0.00 -1.71 0.00 0.00 55.69 53.24 1xsk s MET 150 Cb 0.02 -2.17 -0.03 0.00 2.01 0.00 0.00 34.83 34.66 1xsk s MET 150 CO 0.01 0.58 0.07 -0.59 -0.01 0.00 0.00 175.02 175.07 1xsk s PHE 151 N -0.70 0.60 0.00 -0.03 -0.71 -0.39 -2.26 117.98 114.49 1xsk s PHE 151 Ca 0.11 -1.04 -0.14 0.00 -1.04 0.00 0.00 56.93 54.82 1xsk s PHE 151 Cb -0.10 -0.35 0.02 0.00 -1.21 0.00 0.00 43.02 41.38 1xsk s PHE 151 CO 0.00 -0.49 0.28 -2.00 -1.34 0.00 0.00 175.22 171.67 1xsk s GLU 152 N -3.97 0.68 -0.26 1.99 2.56 -0.92 -1.80 118.70 116.99 1xsk s GLU 152 Ca 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 54.97 54.78 1xsk s GLU 152 Cb 0.07 0.30 0.08 0.00 2.00 0.00 0.00 34.13 36.58 1xsk s GLU 152 CO -0.04 -0.19 0.09 1.03 -0.56 0.00 0.00 175.26 175.59 1xsk s ARG 153 N -1.66 0.42 -0.16 4.30 0.52 -0.13 -1.28 118.95 120.95 1xsk s ARG 153 Ca -0.11 -0.59 -0.20 0.00 -0.52 0.00 0.00 55.73 54.31 1xsk s ARG 153 Cb -0.04 -1.70 -0.03 0.00 0.52 0.00 0.00 34.95 33.69 1xsk s ARG 153 CO 0.02 -0.87 0.57 -0.51 0.02 0.00 0.00 175.30 174.53 1xsk s LEU 154 N 1.92 4.19 0.76 2.53 1.43 -0.92 -4.38 118.68 124.21 1xsk s LEU 154 Ca 0.06 0.83 -0.15 0.00 -1.03 0.00 0.00 54.13 53.83 1xsk s LEU 154 Cb -0.17 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 1xsk s LEU 154 CO -0.23 -0.17 0.66 0.47 0.23 0.00 0.00 176.35 177.31 1xsk n ASP 155 N 4.52 -0.78 -3.93 2.29 8.00 -0.04 -1.31 116.55 125.29 1xsk n ASP 155 Ca -0.04 0.57 -0.23 0.00 0.71 0.00 0.00 54.79 55.80 1xsk n ASP 155 Cb 0.50 -1.28 -0.17 0.00 -0.02 0.00 0.00 41.12 40.16 1xsk n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xsk s LEU 156 N -1.41 1.35 0.94 0.64 1.43 0.06 -4.58 118.68 117.11 1xsk s LEU 156 Ca 0.67 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.41 1xsk s LEU 156 Cb -0.32 -0.65 0.20 0.00 0.03 0.00 0.00 46.19 45.45 1xsk s LEU 156 CO 0.57 -0.05 1.29 -0.83 0.23 0.00 0.00 176.35 177.56 1xsk s GLY 157 N 1.06 1.79 0.17 -3.19 0.00 -1.26 -4.76 107.32 101.14 1xsk s GLY 157 Ca -0.08 -1.34 -0.31 0.00 0.00 0.00 0.00 44.72 42.98 1xsk s GLY 157 CO -0.01 -0.57 1.56 0.14 0.00 0.00 0.00 173.10 174.21 1xsk s VAL 158 N -3.81 2.62 -0.03 1.40 1.01 -1.26 -1.63 120.40 118.70 1xsk s VAL 158 Ca 0.74 0.45 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1xsk s VAL 158 Cb -0.03 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1xsk s VAL 158 CO 0.52 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1xsk n GLY 159 N 3.57 0.32 3.71 4.51 0.00 -1.26 -4.98 105.19 111.06 1xsk n GLY 159 Ca 0.13 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1xsk n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsk s GLU 160 N -0.90 4.47 -0.00 1.61 2.12 -0.64 -4.96 118.70 120.40 1xsk s GLU 160 Ca 0.00 1.07 0.07 0.00 0.36 0.00 0.00 54.97 56.46 1xsk s GLU 160 Cb 0.00 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1xsk s GLU 160 CO 0.00 0.00 -0.20 0.95 -0.54 0.00 0.00 175.26 175.47 1xsk s THR 161 N 0.95 2.57 -0.05 -1.70 -4.23 -1.26 -4.84 115.64 107.09 1xsk s THR 161 Ca 0.42 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.86 1xsk s THR 161 Cb -0.19 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1xsk s THR 161 CO 0.21 0.49 0.08 -0.69 -0.54 0.00 0.00 174.62 174.17 1xsk s VAL 162 N -0.76 4.84 0.18 2.29 1.01 -1.26 -2.32 120.40 124.38 1xsk s VAL 162 Ca 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1xsk s VAL 162 Cb -0.10 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1xsk s VAL 162 CO 0.02 0.46 0.02 -0.31 0.00 0.00 0.00 175.10 175.29 1xsk s TYR 163 N -1.10 1.22 0.00 5.22 2.02 0.73 -1.01 117.35 124.43 1xsk s TYR 163 Ca 0.19 -1.07 0.00 0.00 -0.37 0.00 0.00 57.07 55.83 1xsk s TYR 163 Cb -0.12 -0.70 0.00 0.00 -0.40 0.00 0.00 41.96 40.75 1xsk s TYR 163 CO 0.10 -0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 1xsk n GLY 164 N -0.26 0.46 2.04 0.71 0.00 -1.26 -1.97 105.19 104.91 1xsk n GLY 164 Ca -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 1xsk n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xsk n LEU 165 N 0.00 -0.78 0.00 0.99 4.77 0.40 -4.85 117.00 117.52 1xsk n LEU 165 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1xsk n LEU 165 Cb 0.00 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1xsk n LEU 165 CO 0.00 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1xsk n GLY 166 N -1.55 -1.71 3.49 -0.72 0.00 -1.23 -3.50 105.19 99.98 1xsk n GLY 166 Ca -0.02 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1xsk n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsk s GLU 167 N -0.01 3.36 0.22 1.61 2.12 -0.76 -3.85 118.70 121.39 1xsk s GLU 167 Ca 0.00 -1.05 0.09 0.00 0.36 0.00 0.00 54.97 54.36 1xsk s GLU 167 Cb 0.00 -4.65 -0.04 0.00 0.26 0.00 0.00 34.13 29.69 1xsk s GLU 167 CO 0.00 -1.95 -0.03 1.03 -0.54 0.00 0.00 175.26 173.78 1xsk s ARG 168 N 4.16 2.25 0.00 4.30 0.52 -1.26 -4.57 118.95 124.36 1xsk s ARG 168 Ca 0.32 -1.30 0.10 0.00 -0.52 0.00 0.00 55.73 54.33 1xsk s ARG 168 Cb -0.08 -2.21 0.08 0.00 0.52 0.00 0.00 34.95 33.26 1xsk s ARG 168 CO 0.01 0.41 0.82 1.19 0.02 0.00 0.00 175.30 177.75 1xsk n PHE 169 N -0.44 0.01 -1.48 -0.53 3.72 -1.26 -3.00 117.46 114.48 1xsk n PHE 169 Ca -0.08 -0.01 -0.21 0.00 -0.05 0.00 0.00 57.45 57.09 1xsk n PHE 169 Cb 0.57 -0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.26 1xsk n PHE 169 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1xsk n THR 170 N 0.54 0.00 -1.57 4.37 -2.24 -1.26 -4.84 114.28 109.28 1xsk n THR 170 Ca 0.06 -0.61 -0.47 0.00 -2.27 0.00 0.00 64.05 60.75 1xsk n THR 170 Cb 0.25 -1.55 -0.03 0.00 -2.10 0.00 0.00 70.33 66.90 1xsk n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xsk n ALA 171 N -3.76 -0.73 -0.29 6.98 0.00 -1.26 -4.86 120.51 116.59 1xsk n ALA 171 Ca -0.15 0.44 0.05 0.00 0.00 0.00 0.00 53.44 53.78 1xsk n ALA 171 Cb 0.41 -2.00 0.20 0.00 0.00 0.00 0.00 19.45 18.06 1xsk n ALA 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xsk h LEU 172 N 2.72 0.54 -8.85 0.00 5.85 -1.92 -3.37 115.31 110.29 1xsk h LEU 172 Ca -0.41 0.08 -0.60 0.00 0.84 0.00 0.00 57.88 57.79 1xsk h LEU 172 Cb 1.35 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.27 1xsk h LEU 172 CO 0.66 0.26 0.54 -0.69 -0.34 0.00 0.00 178.44 178.87 1xsk s VAL 173 N -6.00 4.64 0.45 1.05 1.01 -1.26 -4.57 120.40 115.72 1xsk s VAL 173 Ca -0.12 1.15 0.38 0.00 0.00 0.00 0.00 61.98 63.40 1xsk s VAL 173 Cb 0.21 -4.29 0.41 0.00 0.00 0.00 0.00 36.38 32.71 1xsk s VAL 173 CO 0.78 -0.47 2.20 0.03 0.00 0.00 0.00 175.10 177.64 1xsk h ARG 174 N 8.40 0.00 -6.11 2.72 2.47 -1.25 -3.46 114.38 117.16 1xsk h ARG 174 Ca -0.23 0.00 -0.77 0.00 -1.26 0.00 0.00 59.98 57.72 1xsk h ARG 174 Cb 1.08 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.41 1xsk h ARG 174 CO 0.96 0.02 0.88 0.09 0.56 0.00 0.00 179.97 182.47 1xsk n ASN 175 N -3.19 2.12 0.00 7.04 4.13 -1.26 -1.38 115.26 122.73 1xsk n ASN 175 Ca -0.02 1.08 0.00 0.00 1.68 0.00 0.00 54.58 57.32 1xsk n ASN 175 Cb 0.17 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.33 1xsk n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xsk n GLY 176 N 4.27 0.36 3.40 7.41 0.00 0.36 -4.99 105.19 116.00 1xsk n GLY 176 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1xsk n GLY 176 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xsk s GLN 177 N -0.88 1.46 -0.08 1.61 -2.07 -0.48 -4.62 119.66 114.59 1xsk s GLN 177 Ca 0.00 -1.50 -0.12 0.00 -1.82 0.00 0.00 55.36 51.91 1xsk s GLN 177 Cb 0.00 -1.70 -0.05 0.00 -1.09 0.00 0.00 33.01 30.18 1xsk s GLN 177 CO 0.00 0.36 0.30 0.99 -1.32 0.00 0.00 175.29 175.62 1xsk s THR 178 N -1.81 5.24 -0.03 3.63 2.01 -1.26 -1.66 115.64 121.76 1xsk s THR 178 Ca 0.20 0.58 -0.01 0.00 0.31 0.00 0.00 61.69 62.77 1xsk s THR 178 Cb -0.07 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.86 1xsk s THR 178 CO 0.09 0.53 0.06 0.68 -0.69 0.00 0.00 174.62 175.29 1xsk s VAL 179 N -0.61 -0.05 -0.23 3.82 -7.23 0.05 -5.00 120.40 111.15 1xsk s VAL 179 Ca 0.19 0.19 -0.08 0.00 -1.81 0.00 0.00 61.98 60.48 1xsk s VAL 179 Cb -0.14 -0.11 -0.03 0.00 0.56 0.00 0.00 36.38 36.65 1xsk s VAL 179 CO 0.08 0.08 0.07 -1.61 -0.31 0.00 0.00 175.10 173.41 1xsk s GLU 180 N 1.00 3.79 -1.22 4.82 0.41 -1.26 -1.10 118.70 125.14 1xsk s GLU 180 Ca -0.08 -0.42 -0.17 0.00 -0.41 0.00 0.00 54.97 53.89 1xsk s GLU 180 Cb -0.12 -3.30 0.10 0.00 -1.78 0.00 0.00 34.13 29.04 1xsk s GLU 180 CO -0.03 -0.01 1.59 0.95 -0.49 0.00 0.00 175.26 177.26 1xsk s THR 181 N 1.16 4.41 -0.16 3.63 -4.23 -1.02 -4.85 115.64 114.57 1xsk s THR 181 Ca 0.05 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.51 1xsk s THR 181 Cb -0.14 -5.08 0.06 0.00 1.34 0.00 0.00 72.50 68.68 1xsk s THR 181 CO 0.03 -1.87 0.11 0.86 -0.54 0.00 0.00 174.62 173.21 1xsk s TRP 182 N 3.43 0.10 0.11 3.99 -0.11 -1.26 -4.18 118.94 121.01 1xsk s TRP 182 Ca 0.49 -0.16 -0.32 0.00 1.22 0.00 0.00 56.10 57.33 1xsk s TRP 182 Cb 0.01 -0.61 -0.12 0.00 -1.50 0.00 0.00 33.47 31.25 1xsk s TRP 182 CO 0.03 -0.49 1.77 0.09 -4.62 0.00 0.00 176.95 173.73 1xsk n ASN 183 N 5.29 3.74 -4.14 5.86 3.02 -1.26 -4.67 115.26 123.10 1xsk n ASN 183 Ca -0.06 1.02 -0.09 0.00 -0.03 0.00 0.00 54.58 55.41 1xsk n ASN 183 Cb 0.49 -1.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.06 1xsk n ASN 183 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1xsk s ARG 184 N 2.30 0.77 -0.83 3.52 0.52 -0.38 -4.58 118.95 120.27 1xsk s ARG 184 Ca 0.82 -1.31 -0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1xsk s ARG 184 Cb -0.56 -0.02 0.21 0.00 0.52 0.00 0.00 34.95 35.11 1xsk s ARG 184 CO 0.39 -0.08 0.72 0.34 0.02 0.00 0.00 175.30 176.69 1xsk s ASP 185 N -3.00 6.13 -0.03 0.23 -1.08 -1.26 -3.42 116.67 114.23 1xsk s ASP 185 Ca 0.12 -3.19 0.05 0.00 -0.52 0.00 0.00 52.55 49.00 1xsk s ASP 185 Cb 0.07 -2.01 0.07 0.00 -1.46 0.00 0.00 42.92 39.59 1xsk s ASP 185 CO -0.06 -0.35 0.98 0.61 0.52 0.00 0.00 175.17 176.87 1xsk n GLY 186 N 3.13 2.58 3.57 2.66 0.00 -1.26 -5.10 105.19 110.76 1xsk n GLY 186 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1xsk n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsk n GLY 187 N -0.65 -1.11 0.00 -0.02 0.00 -1.26 -4.54 105.19 97.61 1xsk n GLY 187 Ca 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1xsk n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xsk n THR 188 N 0.00 0.45 -0.63 2.61 -2.24 -1.22 -4.77 114.28 108.47 1xsk n THR 188 Ca 0.00 -0.51 0.07 0.00 -2.27 0.00 0.00 64.05 61.34 1xsk n THR 188 Cb 0.00 0.87 0.23 0.00 -2.10 0.00 0.00 70.33 69.32 1xsk n THR 188 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsk n SER 189 N -0.23 3.59 -2.27 3.42 7.64 -1.26 -4.79 113.62 119.73 1xsk n SER 189 Ca 0.00 -2.56 -0.10 0.00 1.01 0.00 0.00 58.87 57.22 1xsk n SER 189 Cb 0.30 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 1xsk n SER 189 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xsk n THR 190 N 0.03 0.00 0.73 0.44 -2.24 -1.26 -5.02 114.28 106.96 1xsk n THR 190 Ca 0.18 -1.08 0.10 0.00 -2.27 0.00 0.00 64.05 60.98 1xsk n THR 190 Cb 0.71 0.46 0.45 0.00 -2.10 0.00 0.00 70.33 69.85 1xsk n THR 190 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xsk n GLU 191 N -0.35 0.00 -1.78 -0.78 0.00 -1.26 -4.47 120.64 112.01 1xsk n GLU 191 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 57.16 57.00 1xsk n GLU 191 Cb 0.27 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.27 1xsk n GLU 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xsk s GLN 192 N -2.99 2.69 -0.01 3.44 -0.21 -1.26 -4.90 119.66 116.42 1xsk s GLN 192 Ca 0.10 0.54 -0.16 0.00 0.02 0.00 0.00 55.36 55.86 1xsk s GLN 192 Cb 0.14 -2.00 0.03 0.00 1.00 0.00 0.00 33.01 32.18 1xsk s GLN 192 CO 0.38 -1.17 0.35 0.00 -2.12 0.00 0.00 175.29 172.73 1xsk s ALA 193 N -3.28 -0.88 0.02 6.09 0.00 -1.26 -4.69 121.76 117.77 1xsk s ALA 193 Ca 0.59 0.38 0.10 0.00 0.00 0.00 0.00 51.96 53.02 1xsk s ALA 193 Cb -0.12 0.11 -0.22 0.00 0.00 0.00 0.00 23.12 22.89 1xsk s ALA 193 CO 0.53 -0.30 0.92 1.88 0.00 0.00 0.00 175.76 178.79 1xsk h TYR 194 N 3.66 0.02 -3.68 0.00 0.05 -1.80 -1.01 116.97 114.21 1xsk h TYR 194 Ca -0.30 -0.02 -0.66 0.00 0.05 0.00 0.00 58.73 57.81 1xsk h TYR 194 Cb 1.18 -0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.52 1xsk h TYR 194 CO 0.50 1.02 -0.72 0.15 -1.05 0.00 0.00 178.16 178.06 1xsk s LYS 195 N -2.64 1.49 -0.15 4.88 1.02 -1.26 -3.38 119.74 119.70 1xsk s LYS 195 Ca -0.03 -1.84 -0.07 0.00 0.02 0.00 0.00 55.97 54.05 1xsk s LYS 195 Cb 0.09 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1xsk s LYS 195 CO 0.82 -0.93 0.09 -0.80 -0.92 0.00 0.00 175.35 173.62 1xsk s ASN 196 N 0.92 5.93 -0.08 2.83 0.01 -1.23 -1.83 114.94 121.48 1xsk s ASN 196 Ca 0.10 0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 52.49 1xsk s ASN 196 Cb -0.19 -1.93 0.03 0.00 0.41 0.00 0.00 41.25 39.57 1xsk s ASN 196 CO -0.08 0.30 0.01 -0.63 -1.51 0.00 0.00 177.10 175.18 1xsk s ILE 197 N -0.35 0.38 -0.05 0.60 -1.09 -1.23 -4.49 121.20 114.97 1xsk s ILE 197 Ca 0.10 0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.52 1xsk s ILE 197 Cb -0.12 -0.58 -0.25 0.00 -1.58 0.00 0.00 42.46 39.93 1xsk s ILE 197 CO 0.01 0.21 3.49 -0.81 -1.23 0.00 0.00 174.94 176.61 1xsk n PRO 198 N 5.14 1.97 -4.71 2.79 -0.04 -1.26 -3.49 135.00 135.41 1xsk n PRO 198 Ca -0.07 -1.00 -0.24 0.00 -0.04 0.00 0.00 63.50 62.15 1xsk n PRO 198 Cb 0.50 -2.01 -0.16 0.00 -0.04 0.00 0.00 33.50 31.79 1xsk n PRO 198 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xsk s PHE 199 N 1.12 1.46 0.04 0.54 5.36 -1.26 -0.93 117.98 124.31 1xsk s PHE 199 Ca 0.64 -0.38 -0.01 0.00 -0.96 0.00 0.00 56.93 56.22 1xsk s PHE 199 Cb 0.30 -0.99 -0.03 0.00 -0.34 0.00 0.00 43.02 41.96 1xsk s PHE 199 CO -0.00 -0.12 -0.02 1.52 -1.46 0.00 0.00 175.22 175.14 1xsk s TYR 200 N -0.00 0.41 0.06 10.12 -0.85 -0.78 -0.45 117.35 125.87 1xsk s TYR 200 Ca -0.02 -0.86 -0.05 0.00 -0.52 0.00 0.00 57.07 55.63 1xsk s TYR 200 Cb -0.10 -0.31 -0.02 0.00 0.38 0.00 0.00 41.96 41.91 1xsk s TYR 200 CO 0.01 -0.32 0.07 0.00 -1.52 0.00 0.00 175.55 173.79 1xsk s MET 201 N -3.04 0.70 0.46 -3.49 0.23 -0.83 -0.86 119.30 112.47 1xsk s MET 201 Ca -0.01 -1.07 0.03 0.00 -1.03 0.00 0.00 55.69 53.61 1xsk s MET 201 Cb 0.02 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.55 1xsk s MET 201 CO -0.07 -0.18 0.03 0.95 -2.03 0.00 0.00 175.02 173.73 1xsk s THR 202 N -3.76 1.18 -0.52 3.16 -4.23 -1.03 -0.19 115.64 110.25 1xsk s THR 202 Ca 0.05 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1xsk s THR 202 Cb 0.06 -2.37 0.19 0.00 1.34 0.00 0.00 72.50 71.72 1xsk s THR 202 CO -0.10 0.00 0.99 -0.46 -0.54 0.00 0.00 174.62 174.51 1xsk n ASN 203 N -1.19 2.61 -0.42 3.99 6.94 -0.98 -3.05 115.26 123.15 1xsk n ASN 203 Ca -0.13 -2.31 0.04 0.00 -0.02 0.00 0.00 54.58 52.16 1xsk n ASN 203 Cb 0.67 -0.56 0.08 0.00 -2.36 0.00 0.00 39.78 37.61 1xsk n ASN 203 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1xsk n ARG 204 N 0.13 1.85 -1.46 -3.83 0.63 -1.26 -4.95 116.66 107.77 1xsk n ARG 204 Ca 0.10 -1.56 -0.01 0.00 -0.92 0.00 0.00 57.85 55.46 1xsk n ARG 204 Cb 0.62 -1.19 -0.00 0.00 0.45 0.00 0.00 32.46 32.34 1xsk n ARG 204 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xsk n GLY 205 N 0.34 0.41 3.12 5.14 0.00 -1.17 -4.96 105.19 108.08 1xsk n GLY 205 Ca 0.07 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 1xsk n GLY 205 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xsk s TYR 206 N -2.06 0.26 0.23 1.61 -0.85 -1.26 0.15 117.35 115.43 1xsk s TYR 206 Ca 0.00 -0.65 0.01 0.00 -0.52 0.00 0.00 57.07 55.92 1xsk s TYR 206 Cb 0.00 -0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.11 1xsk s TYR 206 CO 0.00 -0.40 0.06 0.20 -1.52 0.00 0.00 175.55 173.89 1xsk s GLY 207 N -2.43 1.55 -0.07 5.49 0.00 0.52 -2.46 107.32 109.92 1xsk s GLY 207 Ca -0.01 -1.77 -0.05 0.00 0.00 0.00 0.00 44.72 42.90 1xsk s GLY 207 CO -0.07 -1.57 0.18 -1.34 0.00 0.00 0.00 173.10 170.29 1xsk s VAL 208 N -3.71 -0.03 -0.20 1.40 -7.23 -0.04 0.85 120.40 111.44 1xsk s VAL 208 Ca 0.33 0.10 -0.04 0.00 -1.81 0.00 0.00 61.98 60.57 1xsk s VAL 208 Cb 0.07 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 36.73 1xsk s VAL 208 CO 0.10 0.04 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.67 1xsk s LEU 209 N 0.77 2.95 -0.42 1.32 2.96 -0.66 -1.86 118.68 123.74 1xsk s LEU 209 Ca -0.06 -0.34 -0.25 0.00 -0.22 0.00 0.00 54.13 53.26 1xsk s LEU 209 Cb -0.07 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1xsk s LEU 209 CO -0.04 0.02 0.90 -0.69 -1.32 0.00 0.00 176.35 175.22 1xsk s VAL 210 N 1.22 4.54 -1.28 1.68 1.01 -0.11 -1.25 120.40 126.21 1xsk s VAL 210 Ca 0.03 0.88 -0.15 0.00 0.00 0.00 0.00 61.98 62.74 1xsk s VAL 210 Cb -0.14 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1xsk s VAL 210 CO -0.01 -0.69 2.27 -3.20 0.00 0.00 0.00 175.10 173.46 1xsk n ASN 211 N 6.94 4.41 -3.53 3.32 5.15 0.08 -4.78 115.26 126.86 1xsk n ASN 211 Ca 0.06 -2.72 -0.18 0.00 -0.60 0.00 0.00 54.58 51.14 1xsk n ASN 211 Cb 0.48 -1.47 -0.13 0.00 -0.53 0.00 0.00 39.78 38.13 1xsk n ASN 211 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1xsk s HIS 212 N 3.48 -0.27 0.34 1.20 3.76 -1.26 -4.77 115.29 117.77 1xsk s HIS 212 Ca 0.52 0.31 0.03 0.00 -0.15 0.00 0.00 55.06 55.78 1xsk s HIS 212 Cb 0.14 -0.33 0.61 0.00 1.11 0.00 0.00 32.58 34.11 1xsk s HIS 212 CO -0.03 -0.55 1.92 -1.35 -0.85 0.00 0.00 174.74 173.88 1xsk h PRO 213 N 8.32 0.64 0.00 8.40 0.11 -1.88 -3.44 132.00 144.14 1xsk h PRO 213 Ca -0.16 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1xsk h PRO 213 Cb 1.15 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.16 1xsk h PRO 213 CO 0.26 0.56 -0.01 0.00 -0.21 0.00 0.00 178.00 178.60 1xsk n GLN 214 N -4.34 -1.85 -2.45 1.05 0.00 -1.25 -4.49 117.38 104.06 1xsk n GLN 214 Ca 0.03 -0.11 -0.42 0.00 0.00 0.00 0.00 57.00 56.50 1xsk n GLN 214 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 30.24 30.27 1xsk n GLN 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsk s VAL 216 N 2.26 3.57 -0.39 0.00 1.01 -1.26 -4.55 120.40 121.05 1xsk s VAL 216 Ca 0.56 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 1xsk s VAL 216 Cb -0.25 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1xsk s VAL 216 CO 0.22 0.43 0.58 -0.55 0.00 0.00 0.00 175.10 175.78 1xsk s SER 217 N 1.18 6.33 -0.17 3.32 0.15 0.14 -2.44 113.70 122.21 1xsk s SER 217 Ca 0.02 -0.16 -0.08 0.00 0.70 0.00 0.00 55.95 56.43 1xsk s SER 217 Cb -0.14 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 1xsk s SER 217 CO -0.00 -0.62 0.11 -0.36 1.20 0.00 0.00 173.24 173.57 1xsk s PHE 218 N 2.59 3.41 -0.47 3.44 0.40 -0.25 -1.34 117.98 125.75 1xsk s PHE 218 Ca 0.21 0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.89 1xsk s PHE 218 Cb -0.15 -2.08 0.12 0.00 0.51 0.00 0.00 43.02 41.42 1xsk s PHE 218 CO 0.16 0.37 0.20 -1.21 0.70 0.00 0.00 175.22 175.43 1xsk s GLU 219 N 0.01 1.83 -1.08 0.44 0.41 0.79 -0.77 118.70 120.34 1xsk s GLU 219 Ca 0.09 -2.41 -0.19 0.00 -0.41 0.00 0.00 54.97 52.04 1xsk s GLU 219 Cb -0.12 -3.28 0.10 0.00 -1.78 0.00 0.00 34.13 29.05 1xsk s GLU 219 CO -0.00 -1.06 1.40 0.08 -0.49 0.00 0.00 175.26 175.19 1xsk s VAL 220 N 0.05 4.42 -1.09 2.63 1.01 -0.66 -1.48 120.40 125.27 1xsk s VAL 220 Ca 0.15 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1xsk s VAL 220 Cb -0.24 -4.97 0.00 0.00 0.00 0.00 0.00 36.38 31.17 1xsk s VAL 220 CO -0.02 -1.76 0.00 0.61 0.00 0.00 0.00 175.10 173.93 1xsk n GLY 221 N 5.66 1.16 0.05 4.51 0.00 -0.67 0.14 105.19 116.04 1xsk n GLY 221 Ca 0.34 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1xsk n GLY 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsk n SER 222 N 0.19 0.13 -0.05 1.61 3.41 -1.26 -4.13 113.62 113.52 1xsk n SER 222 Ca -0.10 0.05 -0.11 0.00 -0.26 0.00 0.00 58.87 58.46 1xsk n SER 222 Cb 0.35 1.45 -0.04 0.00 -0.26 0.00 0.00 64.21 65.72 1xsk n SER 222 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xsk n GLU 223 N -2.48 0.33 -3.68 4.33 2.13 -1.26 -4.87 120.64 115.14 1xsk n GLU 223 Ca -0.13 0.14 -0.39 0.00 0.66 0.00 0.00 57.16 57.44 1xsk n GLU 223 Cb 0.76 -1.07 -0.11 0.00 0.27 0.00 0.00 31.44 31.29 1xsk n GLU 223 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xsk s LYS 224 N -2.45 2.63 0.55 5.31 -0.14 -1.26 -4.97 119.74 119.41 1xsk s LYS 224 Ca -0.20 -1.27 0.29 0.00 -1.36 0.00 0.00 55.97 53.44 1xsk s LYS 224 Cb 0.05 -3.61 1.46 0.00 -1.68 0.00 0.00 37.83 34.06 1xsk s LYS 224 CO 0.27 -0.77 1.91 -0.39 -0.76 0.00 0.00 175.35 175.61 1xsk h VAL 225 N 6.10 0.52 -0.51 3.17 -1.51 -1.90 -2.10 116.25 120.02 1xsk h VAL 225 Ca -0.23 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.11 1xsk h VAL 225 Cb 1.08 0.60 -0.08 0.00 -2.13 0.00 0.00 31.29 30.77 1xsk h VAL 225 CO 0.66 0.00 0.11 -1.54 -1.23 0.00 0.00 177.57 175.57 1xsk n SER 226 N -4.09 4.13 -3.90 4.19 3.41 -1.26 -4.55 113.62 111.54 1xsk n SER 226 Ca 0.13 -3.25 -0.10 0.00 -0.26 0.00 0.00 58.87 55.40 1xsk n SER 226 Cb 0.80 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 64.00 1xsk n SER 226 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xsk s LYS 227 N -2.99 0.63 -0.44 4.33 3.01 -0.79 -0.76 119.74 122.74 1xsk s LYS 227 Ca 0.49 -0.72 -0.10 0.00 -1.01 0.00 0.00 55.97 54.63 1xsk s LYS 227 Cb 0.40 0.25 0.09 0.00 -1.01 0.00 0.00 37.83 37.56 1xsk s LYS 227 CO 0.10 -0.17 0.30 0.08 0.51 0.00 0.00 175.35 176.17 1xsk s VAL 228 N -2.64 4.39 -0.01 3.17 1.01 -0.43 -1.68 120.40 124.21 1xsk s VAL 228 Ca -0.05 -1.43 -0.16 0.00 0.00 0.00 0.00 61.98 60.35 1xsk s VAL 228 Cb -0.01 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1xsk s VAL 228 CO -0.05 -0.58 0.44 -1.58 0.00 0.00 0.00 175.10 173.34 1xsk s GLN 229 N 1.45 4.04 -0.03 2.72 0.74 -0.55 -2.17 119.66 125.84 1xsk s GLN 229 Ca 0.04 0.46 -0.01 0.00 0.05 0.00 0.00 55.36 55.89 1xsk s GLN 229 Cb -0.24 -3.26 0.03 0.00 1.10 0.00 0.00 33.01 30.64 1xsk s GLN 229 CO 0.02 0.59 0.06 -0.59 -0.55 0.00 0.00 175.29 174.82 1xsk s PHE 230 N -0.77 -0.02 0.11 1.67 -0.12 -0.40 -0.15 117.98 118.30 1xsk s PHE 230 Ca 0.25 0.24 0.07 0.00 -0.05 0.00 0.00 56.93 57.44 1xsk s PHE 230 Cb -0.17 -0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 1xsk s PHE 230 CO 0.13 -0.12 -0.17 -1.54 -0.05 0.00 0.00 175.22 173.47 1xsk s SER 231 N 1.18 2.26 -0.07 1.98 1.04 -0.45 -2.17 113.70 117.46 1xsk s SER 231 Ca -0.08 -0.74 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 1xsk s SER 231 Cb -0.13 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.91 1xsk s SER 231 CO -0.04 -0.04 0.25 0.54 0.98 0.00 0.00 173.24 174.93 1xsk s VAL 232 N -1.62 0.02 -0.74 5.02 0.11 -0.96 -0.68 120.40 121.56 1xsk s VAL 232 Ca 0.07 -0.18 -0.26 0.00 -2.93 0.00 0.00 61.98 58.68 1xsk s VAL 232 Cb -0.08 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 1xsk s VAL 232 CO 0.04 -0.10 1.50 -0.70 -3.33 0.00 0.00 175.10 172.51 1xsk s GLU 233 N -0.33 3.03 0.14 1.54 2.12 -1.26 -2.13 118.70 121.81 1xsk s GLU 233 Ca -0.04 -0.07 -0.25 0.00 0.36 0.00 0.00 54.97 54.97 1xsk s GLU 233 Cb -0.03 -4.39 0.07 0.00 0.26 0.00 0.00 34.13 30.03 1xsk s GLU 233 CO 0.01 -2.39 0.83 0.45 -0.54 0.00 0.00 175.26 173.62 1xsk s SER 234 N 5.37 -0.31 0.00 -1.70 0.15 -1.18 -4.99 113.70 111.05 1xsk s SER 234 Ca 0.47 -0.27 0.24 0.00 0.70 0.00 0.00 55.95 57.09 1xsk s SER 234 Cb -0.09 0.53 0.48 0.00 -1.71 0.00 0.00 66.02 65.23 1xsk s SER 234 CO 0.14 -0.93 1.42 -0.62 1.20 0.00 0.00 173.24 174.45 1xsk n GLU 235 N -0.39 2.21 -3.74 5.44 -0.58 -1.26 -3.79 120.64 118.53 1xsk n GLU 235 Ca -0.08 -1.80 -0.14 0.00 -0.42 0.00 0.00 57.16 54.73 1xsk n GLU 235 Cb 0.61 -1.47 -0.08 0.00 -0.57 0.00 0.00 31.44 29.93 1xsk n GLU 235 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1xsk s TYR 236 N -1.79 -0.23 -0.05 -0.32 -0.85 -1.26 -0.91 117.35 111.93 1xsk s TYR 236 Ca 0.34 0.38 0.05 0.00 -0.52 0.00 0.00 57.07 57.31 1xsk s TYR 236 Cb 0.21 0.13 -0.00 0.00 0.38 0.00 0.00 41.96 42.67 1xsk s TYR 236 CO 0.31 -0.40 -0.19 -1.17 -1.52 0.00 0.00 175.55 172.58 1xsk s LEU 237 N -1.24 1.95 -0.04 -3.49 2.96 0.60 -4.88 118.68 114.53 1xsk s LEU 237 Ca -0.13 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1xsk s LEU 237 Cb -0.05 -1.08 0.03 0.00 0.50 0.00 0.00 46.19 45.59 1xsk s LEU 237 CO 0.05 0.17 0.05 -0.70 -1.32 0.00 0.00 176.35 174.59 1xsk s GLU 238 N 0.05 0.01 0.12 1.98 2.12 -1.26 -0.41 118.70 121.30 1xsk s GLU 238 Ca -0.05 0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.65 1xsk s GLU 238 Cb -0.13 -0.57 -0.04 0.00 0.26 0.00 0.00 34.13 33.65 1xsk s GLU 238 CO 0.03 -0.32 -0.08 1.52 -0.54 0.00 0.00 175.26 175.87 1xsk s TYR 239 N 2.13 1.06 -0.13 5.30 1.13 -0.59 -0.74 117.35 125.51 1xsk s TYR 239 Ca 0.05 -0.85 0.02 0.00 -1.41 0.00 0.00 57.07 54.88 1xsk s TYR 239 Cb -0.12 -0.58 0.01 0.00 -1.10 0.00 0.00 41.96 40.17 1xsk s TYR 239 CO -0.03 -0.05 -0.20 -0.06 -2.51 0.00 0.00 175.55 172.70 1xsk s PHE 240 N -3.50 2.42 -0.14 -3.49 0.08 -0.38 -0.84 117.98 112.14 1xsk s PHE 240 Ca 0.14 -1.19 -0.18 0.00 0.12 0.00 0.00 56.93 55.82 1xsk s PHE 240 Cb 0.04 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1xsk s PHE 240 CO -0.02 -0.56 0.46 0.08 -0.10 0.00 0.00 175.22 175.08 1xsk s VAL 241 N 0.86 5.19 -0.18 -0.44 1.01 -0.55 -1.65 120.40 124.63 1xsk s VAL 241 Ca -0.07 0.91 -0.00 0.00 0.00 0.00 0.00 61.98 62.81 1xsk s VAL 241 Cb -0.15 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1xsk s VAL 241 CO -0.02 0.31 -0.16 -0.63 0.00 0.00 0.00 175.10 174.61 1xsk s ILE 242 N 0.79 2.47 0.42 2.22 1.01 0.25 -1.71 121.20 126.64 1xsk s ILE 242 Ca 0.25 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 59.86 1xsk s ILE 242 Cb -0.15 -2.06 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 1xsk s ILE 242 CO 0.10 0.51 1.03 -0.62 0.00 0.00 0.00 174.94 175.95 1xsk s ASP 243 N 1.24 6.74 0.00 3.58 2.15 -0.82 -0.35 116.67 129.20 1xsk s ASP 243 Ca 0.03 1.95 0.00 0.00 0.43 0.00 0.00 52.55 54.96 1xsk s ASP 243 Cb -0.14 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1xsk s ASP 243 CO -0.08 -0.50 0.00 0.61 -0.17 0.00 0.00 175.17 175.03 1xsk n GLY 244 N 0.11 0.50 0.00 2.66 0.00 0.12 -4.23 105.19 104.35 1xsk n GLY 244 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1xsk n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xsk n PRO 245 N 0.00 0.52 -4.15 1.61 -0.04 -1.26 -4.54 135.00 127.15 1xsk n PRO 245 Ca 0.00 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.23 1xsk n PRO 245 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 1xsk n PRO 245 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xsk s THR 246 N -2.42 4.14 0.21 0.52 -4.23 -1.26 -3.82 115.64 108.77 1xsk s THR 246 Ca 0.30 -1.32 -0.11 0.00 -1.18 0.00 0.00 61.69 59.38 1xsk s THR 246 Cb 0.19 -3.13 0.16 0.00 1.34 0.00 0.00 72.50 71.05 1xsk s THR 246 CO 0.39 -0.17 1.69 -0.65 -0.54 0.00 0.00 174.62 175.34 1xsk h PRO 247 N 2.31 0.20 -0.53 3.99 0.11 -1.87 0.35 132.00 136.54 1xsk h PRO 247 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1xsk h PRO 247 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1xsk h PRO 247 CO 0.61 0.13 0.31 0.87 -0.21 0.00 0.00 178.00 179.70 1xsk h LYS 248 N 0.20 0.72 -0.28 1.05 1.57 -1.96 -1.51 116.57 116.36 1xsk h LYS 248 Ca 0.30 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1xsk h LYS 248 Cb 0.46 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1xsk h LYS 248 CO -0.42 0.52 -0.37 0.00 -0.57 0.00 0.00 179.45 178.61 1xsk h ALA 249 N 1.60 0.82 0.02 3.86 0.00 -1.30 -0.77 119.26 123.49 1xsk h ALA 249 Ca 0.19 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xsk h ALA 249 Cb -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xsk h ALA 249 CO -0.03 0.65 -0.01 0.28 0.00 0.00 0.00 179.25 180.13 1xsk h VAL 250 N 0.54 1.06 -0.41 0.00 2.07 -0.38 -2.26 116.25 116.88 1xsk h VAL 250 Ca 0.05 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1xsk h VAL 250 Cb 0.89 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1xsk h VAL 250 CO 0.08 0.07 0.22 -0.07 0.02 0.00 0.00 177.57 177.88 1xsk h LEU 251 N -0.14 0.49 0.12 2.57 3.38 -1.21 0.25 115.31 120.77 1xsk h LEU 251 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xsk h LEU 251 Cb 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xsk h LEU 251 CO 0.00 0.40 -0.06 -0.78 0.09 0.00 0.00 178.44 178.10 1xsk h ASP 252 N 0.56 -0.14 -0.17 -0.43 3.58 -0.81 0.14 116.42 119.15 1xsk h ASP 252 Ca 0.15 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1xsk h ASP 252 Cb 0.02 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1xsk h ASP 252 CO -0.02 -0.08 0.05 0.03 -2.88 0.00 0.00 179.24 176.33 1xsk h ARG 253 N -0.18 0.27 -0.39 0.28 3.08 -0.83 -1.58 114.38 115.03 1xsk h ARG 253 Ca -0.02 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.04 1xsk h ARG 253 Cb 0.14 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 1xsk h ARG 253 CO 0.03 0.41 0.02 -0.92 -1.07 0.00 0.00 179.97 178.43 1xsk h TYR 254 N 0.09 0.01 0.00 3.04 3.20 -0.34 0.69 116.97 123.67 1xsk h TYR 254 Ca 0.05 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 1xsk h TYR 254 Cb 0.25 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1xsk h TYR 254 CO 0.01 -0.06 -0.29 1.79 -1.64 0.00 0.00 178.16 177.97 1xsk h THR 255 N 0.13 0.65 0.00 1.81 1.35 -0.95 0.19 112.91 116.08 1xsk h THR 255 Ca 0.19 -1.35 -0.12 0.00 -0.55 0.00 0.00 66.41 64.58 1xsk h THR 255 Cb 0.26 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 1xsk h THR 255 CO -0.31 0.28 -0.56 -0.09 -0.25 0.00 0.00 175.52 174.59 1xsk h ARG 256 N 0.00 0.00 0.07 4.72 2.43 -0.40 0.15 114.38 121.34 1xsk h ARG 256 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1xsk h ARG 256 Cb 0.87 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1xsk h ARG 256 CO 0.04 0.56 -0.49 0.35 -1.51 0.00 0.00 179.97 178.92 1xsk h PHE 257 N 0.00 0.25 0.00 2.20 3.57 -0.20 -3.41 116.94 119.35 1xsk h PHE 257 Ca -0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1xsk h PHE 257 Cb 1.07 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1xsk h PHE 257 CO 0.00 1.19 -1.84 0.25 -2.23 0.00 0.00 178.31 175.68 1xsk n THR 258 N -4.36 0.00 0.00 4.41 -2.24 0.60 -0.45 114.28 112.24 1xsk n THR 258 Ca -0.14 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1xsk n THR 258 Cb 0.66 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1xsk n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xsk n GLY 259 N 1.35 4.47 3.74 3.38 0.00 0.49 -4.25 105.19 114.37 1xsk n GLY 259 Ca -0.03 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 1xsk n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xsk s ARG 260 N -3.84 4.34 0.48 1.61 1.81 -1.09 -4.57 118.95 117.70 1xsk s ARG 260 Ca 0.00 0.70 -0.24 0.00 -1.72 0.00 0.00 55.73 54.47 1xsk s ARG 260 Cb 0.00 -3.38 -0.07 0.00 -0.45 0.00 0.00 34.95 31.04 1xsk s ARG 260 CO 0.00 0.26 1.39 -2.30 -0.68 0.00 0.00 175.30 173.97 1xsk n PRO 261 N 3.16 2.01 -2.38 3.54 -0.02 -1.26 -4.29 135.00 135.77 1xsk n PRO 261 Ca -0.06 0.72 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 1xsk n PRO 261 Cb 0.51 -2.59 -0.01 0.00 -0.02 0.00 0.00 33.50 31.40 1xsk n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsk s ALA 262 N -1.23 3.23 -0.45 3.55 0.00 -1.24 -4.11 121.76 121.50 1xsk s ALA 262 Ca 0.65 -0.18 -0.22 0.00 0.00 0.00 0.00 51.96 52.21 1xsk s ALA 262 Cb -0.44 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 19.83 1xsk s ALA 262 CO 0.54 -0.38 0.74 -1.17 0.00 0.00 0.00 175.76 175.50 1xsk s LEU 263 N -4.59 4.34 0.46 0.00 2.96 -1.26 -4.75 118.68 115.84 1xsk s LEU 263 Ca 0.53 -0.20 -0.24 0.00 -0.22 0.00 0.00 54.13 54.01 1xsk s LEU 263 Cb -0.10 -2.88 -0.07 0.00 0.50 0.00 0.00 46.19 43.63 1xsk s LEU 263 CO 0.43 -0.88 1.23 -2.84 -1.32 0.00 0.00 176.35 172.97 1xsk s PRO 264 N 3.15 3.71 0.55 0.98 0.02 -1.26 -4.94 135.00 137.20 1xsk s PRO 264 Ca 0.27 1.95 -0.22 0.00 0.02 0.00 0.00 61.00 63.03 1xsk s PRO 264 Cb -0.13 -2.47 -0.05 0.00 0.02 0.00 0.00 34.50 31.87 1xsk s PRO 264 CO 0.21 -0.64 1.37 -1.25 -0.33 0.00 0.00 177.00 176.36 1xsk s PRO 265 N -2.61 3.14 0.30 5.54 0.04 -1.25 -4.90 135.00 135.25 1xsk s PRO 265 Ca 0.63 2.26 0.05 0.00 0.04 0.00 0.00 61.00 63.98 1xsk s PRO 265 Cb -0.33 -2.27 0.76 0.00 0.04 0.00 0.00 34.50 32.70 1xsk s PRO 265 CO 0.40 -1.20 1.70 0.00 0.04 0.00 0.00 177.00 177.94 1xsk h ALA 266 N 1.47 1.49 -0.34 8.56 0.00 -1.91 -1.52 119.26 127.01 1xsk h ALA 266 Ca -0.51 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1xsk h ALA 266 Cb 1.30 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1xsk h ALA 266 CO 0.57 -0.35 0.23 0.11 0.00 0.00 0.00 179.25 179.81 1xsk h TRP 267 N 0.41 0.36 0.00 0.00 5.08 -1.90 -1.67 115.95 118.22 1xsk h TRP 267 Ca 0.58 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 60.55 1xsk h TRP 267 Cb 1.11 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1xsk h TRP 267 CO -0.12 0.22 -0.01 0.66 -1.28 0.00 0.00 178.44 177.90 1xsk h SER 268 N 0.38 0.00 0.63 0.11 4.64 -1.63 -1.28 113.55 116.40 1xsk h SER 268 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1xsk h SER 268 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1xsk h SER 268 CO -0.03 0.01 0.00 0.49 -0.87 0.00 0.00 176.83 176.43 1xsk n PHE 269 N -3.28 0.00 -0.68 4.77 3.72 -0.63 -4.75 117.46 116.61 1xsk n PHE 269 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1xsk n PHE 269 Cb 0.09 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 1xsk n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xsk n GLY 270 N 1.05 -1.80 3.75 1.37 0.00 -0.49 -4.67 105.19 104.40 1xsk n GLY 270 Ca 0.11 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 1xsk n GLY 270 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsk s LEU 271 N 0.00 4.51 -0.06 0.99 2.96 -1.26 -4.29 118.68 121.52 1xsk s LEU 271 Ca 0.00 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 55.51 1xsk s LEU 271 Cb 0.00 -3.34 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 1xsk s LEU 271 CO 0.00 0.06 -0.04 0.26 -1.32 0.00 0.00 176.35 175.31 1xsk s TRP 272 N -0.40 3.02 -0.04 5.38 0.52 -0.21 -1.84 118.94 125.38 1xsk s TRP 272 Ca 0.40 0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.62 1xsk s TRP 272 Cb -0.22 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.39 1xsk s TRP 272 CO 0.26 0.39 -0.07 -1.17 0.02 0.00 0.00 176.95 176.38 1xsk s LEU 273 N -0.94 1.55 0.32 2.99 1.98 -0.44 -0.51 118.68 123.63 1xsk s LEU 273 Ca 0.14 -0.17 0.08 0.00 -2.89 0.00 0.00 54.13 51.29 1xsk s LEU 273 Cb -0.11 -0.52 -0.04 0.00 0.66 0.00 0.00 46.19 46.18 1xsk s LEU 273 CO 0.03 -0.00 0.15 -0.89 -1.89 0.00 0.00 176.35 173.75 1xsk s THR 274 N 0.61 3.33 -0.27 3.68 2.01 -0.14 -0.91 115.64 123.94 1xsk s THR 274 Ca -0.09 -1.64 0.26 0.00 0.31 0.00 0.00 61.69 60.52 1xsk s THR 274 Cb -0.12 -3.04 0.34 0.00 0.01 0.00 0.00 72.50 69.70 1xsk s THR 274 CO 0.01 -0.23 1.71 0.71 -0.69 0.00 0.00 174.62 176.13 1xsk h THR 275 N 1.54 0.03 0.00 -0.82 1.35 -1.79 -3.45 112.91 109.78 1xsk h THR 275 Ca -0.44 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1xsk h THR 275 Cb 1.25 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1xsk h THR 275 CO 0.62 0.02 0.00 -1.20 -0.25 0.00 0.00 175.52 174.70 1xsk n SER 276 N -3.11 0.00 0.00 5.36 7.64 -1.26 -4.74 113.62 117.52 1xsk n SER 276 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1xsk n SER 276 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1xsk n SER 276 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xsk n PHE 277 N -0.20 0.00 -0.03 1.43 7.35 0.11 -4.56 117.46 121.56 1xsk n PHE 277 Ca 0.00 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.75 1xsk n PHE 277 Cb 0.00 0.00 0.26 0.00 0.35 0.00 0.00 39.48 40.09 1xsk n PHE 277 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1xsk n THR 278 N -0.31 1.41 -1.56 -2.13 -2.24 0.57 -4.66 114.28 105.36 1xsk n THR 278 Ca 0.00 -0.85 -0.29 0.00 -2.27 0.00 0.00 64.05 60.64 1xsk n THR 278 Cb 0.00 -0.07 0.16 0.00 -2.10 0.00 0.00 70.33 68.32 1xsk n THR 278 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xsk s THR 279 N -1.85 1.94 -0.03 4.28 -4.23 -1.25 -4.97 115.64 109.52 1xsk s THR 279 Ca 0.36 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1xsk s THR 279 Cb 0.24 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 1xsk s THR 279 CO 0.16 0.00 0.21 0.20 -0.54 0.00 0.00 174.62 174.65 1xsk s ASN 280 N -4.20 6.43 -0.17 3.99 -0.87 -1.26 -5.02 114.94 113.84 1xsk s ASN 280 Ca 0.67 0.47 -0.29 0.00 -1.57 0.00 0.00 52.86 52.14 1xsk s ASN 280 Cb -0.12 -2.06 0.11 0.00 -0.02 0.00 0.00 41.25 39.17 1xsk s ASN 280 CO 0.53 0.30 0.92 -0.72 -2.57 0.00 0.00 177.10 175.56 1xsk s TYR 281 N -1.24 -0.48 0.37 2.20 1.13 -1.26 -4.99 117.35 113.08 1xsk s TYR 281 Ca 0.24 0.93 -0.08 0.00 -1.41 0.00 0.00 57.07 56.76 1xsk s TYR 281 Cb -0.13 0.41 0.03 0.00 -1.10 0.00 0.00 41.96 41.18 1xsk s TYR 281 CO 0.14 -0.38 0.63 -0.40 -2.51 0.00 0.00 175.55 173.03 1xsk n ASP 282 N 1.20 -1.81 0.09 -0.18 5.68 -1.26 -4.98 116.55 115.30 1xsk n ASP 282 Ca -0.13 -2.75 0.20 0.00 -0.50 0.00 0.00 54.79 51.62 1xsk n ASP 282 Cb 0.57 3.15 0.73 0.00 -1.14 0.00 0.00 41.12 44.44 1xsk n ASP 282 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1xsk h GLU 283 N 0.00 0.00 -0.02 0.11 4.81 -2.00 -0.23 114.58 117.25 1xsk h GLU 283 Ca -0.30 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1xsk h GLU 283 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1xsk h GLU 283 CO 0.40 0.00 -0.03 0.00 -0.73 0.00 0.00 179.01 178.65 1xsk h ALA 284 N 1.43 0.03 -0.29 2.92 0.00 -1.95 -1.99 119.26 119.39 1xsk h ALA 284 Ca 0.20 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xsk h ALA 284 Cb 1.16 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1xsk h ALA 284 CO -0.00 -0.18 0.14 1.15 0.00 0.00 0.00 179.25 180.36 1xsk h THR 285 N -0.48 0.98 0.01 0.00 2.02 -1.47 -0.42 112.91 113.56 1xsk h THR 285 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1xsk h THR 285 Cb 0.58 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1xsk h THR 285 CO 0.01 0.05 -0.02 0.58 0.37 0.00 0.00 175.52 176.51 1xsk h VAL 286 N 0.30 0.00 -0.73 3.16 2.07 -1.25 -1.36 116.25 118.44 1xsk h VAL 286 Ca 0.12 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.82 1xsk h VAL 286 Cb 0.04 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 1xsk h VAL 286 CO -0.09 0.00 0.50 0.78 0.02 0.00 0.00 177.57 178.78 1xsk h ASN 287 N -0.03 0.19 0.25 0.57 2.35 -1.37 -0.53 115.58 117.02 1xsk h ASN 287 Ca -0.00 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1xsk h ASN 287 Cb 0.03 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1xsk h ASN 287 CO -0.01 0.09 -0.37 -1.28 -1.65 0.00 0.00 177.43 174.22 1xsk h SER 288 N 0.20 -1.03 0.15 5.81 0.87 -0.44 -0.61 113.55 118.50 1xsk h SER 288 Ca 0.36 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1xsk h SER 288 Cb 1.11 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 63.43 1xsk h SER 288 CO -0.07 -0.48 -0.12 -0.26 -0.53 0.00 0.00 176.83 175.37 1xsk h PHE 289 N -0.68 -0.31 -1.00 2.24 0.04 -0.03 -0.44 116.94 116.76 1xsk h PHE 289 Ca -0.00 -0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.94 1xsk h PHE 289 Cb 0.66 0.12 -0.10 0.00 2.20 0.00 0.00 35.95 38.82 1xsk h PHE 289 CO -0.26 -0.19 0.62 0.82 -0.60 0.00 0.00 178.31 178.70 1xsk h ILE 290 N -0.28 0.75 0.00 -0.55 2.04 -1.21 0.12 117.51 118.37 1xsk h ILE 290 Ca -0.00 -0.27 -0.15 0.00 1.00 0.00 0.00 64.86 65.43 1xsk h ILE 290 Cb 0.25 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 1xsk h ILE 290 CO -0.01 0.14 -0.74 0.44 0.00 0.00 0.00 178.15 177.99 1xsk h ASP 291 N 0.79 0.00 0.42 1.72 3.32 -0.80 -2.52 116.42 119.35 1xsk h ASP 291 Ca 0.56 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.50 1xsk h ASP 291 Cb 0.83 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1xsk h ASP 291 CO -0.34 0.74 -0.49 1.23 -1.72 0.00 0.00 179.24 178.65 1xsk h GLY 292 N 2.61 0.09 0.60 2.75 0.00 0.88 -0.10 103.07 109.91 1xsk h GLY 292 Ca -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1xsk h GLY 292 CO 0.10 0.08 -0.24 -0.33 0.00 0.00 0.00 176.54 176.15 1xsk h MET 293 N 0.07 0.26 -0.74 4.80 2.86 -1.04 -2.90 114.93 118.24 1xsk h MET 293 Ca 0.00 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1xsk h MET 293 Cb 0.89 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1xsk h MET 293 CO 0.07 0.85 0.27 0.00 1.06 0.00 0.00 176.91 179.16 1xsk h ALA 294 N 0.41 1.08 -0.52 6.32 0.00 -1.32 0.27 119.26 125.50 1xsk h ALA 294 Ca -0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1xsk h ALA 294 Cb 0.89 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1xsk h ALA 294 CO 0.05 0.64 0.13 0.93 0.00 0.00 0.00 179.25 181.00 1xsk h GLU 295 N 1.09 0.79 -0.15 0.00 5.08 -1.07 -2.31 114.58 118.00 1xsk h GLU 295 Ca 0.25 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xsk h GLU 295 Cb 0.24 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1xsk h GLU 295 CO -0.02 0.71 0.00 0.54 -1.00 0.00 0.00 179.01 179.25 1xsk n ARG 296 N -4.28 1.74 -3.38 2.33 1.74 -0.98 -4.93 116.66 108.89 1xsk n ARG 296 Ca 0.04 -1.11 -0.19 0.00 -0.77 0.00 0.00 57.85 55.82 1xsk n ARG 296 Cb 0.22 -1.41 0.07 0.00 -1.02 0.00 0.00 32.46 30.32 1xsk n ARG 296 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xsk n ASN 297 N 0.33 -5.02 -4.24 0.55 3.02 -0.63 -4.99 115.26 104.28 1xsk n ASN 297 Ca 0.16 -0.46 -0.38 0.00 -0.03 0.00 0.00 54.58 53.87 1xsk n ASN 297 Cb 0.34 -4.32 -0.11 0.00 -0.61 0.00 0.00 39.78 35.08 1xsk n ASN 297 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xsk s LEU 298 N -6.18 4.80 0.49 3.41 1.43 0.85 -4.94 118.68 118.54 1xsk s LEU 298 Ca 0.40 -1.45 -0.22 0.00 -1.03 0.00 0.00 54.13 51.83 1xsk s LEU 298 Cb -0.18 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.06 1xsk s LEU 298 CO 0.61 -0.45 1.03 -2.65 0.23 0.00 0.00 176.35 175.13 1xsk n PRO 299 N 4.81 1.28 -3.74 1.29 -0.02 -1.26 -4.31 135.00 133.06 1xsk n PRO 299 Ca -0.10 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 1xsk n PRO 299 Cb 0.43 -2.14 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 1xsk n PRO 299 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xsk s LEU 300 N -1.25 0.47 0.00 2.45 2.96 -1.26 -4.83 118.68 117.22 1xsk s LEU 300 Ca 0.67 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 1xsk s LEU 300 Cb -0.49 0.94 0.00 0.00 0.50 0.00 0.00 46.19 47.13 1xsk s LEU 300 CO 0.54 -0.15 0.00 1.41 -1.32 0.00 0.00 176.35 176.83 1xsk n HIS 301 N 3.80 0.00 -3.77 5.38 8.25 -0.77 -4.87 115.22 123.24 1xsk n HIS 301 Ca -0.21 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.13 1xsk n HIS 301 Cb 0.55 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.53 1xsk n HIS 301 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xsk s VAL 302 N -1.27 -0.02 -0.06 1.59 1.01 -0.90 -2.08 120.40 118.67 1xsk s VAL 302 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1xsk s VAL 302 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1xsk s VAL 302 CO 0.00 0.03 -0.25 0.12 0.00 0.00 0.00 175.10 175.00 1xsk s PHE 303 N 0.59 2.45 -0.09 5.22 5.36 0.34 -1.32 117.98 130.53 1xsk s PHE 303 Ca -0.04 -0.73 0.02 0.00 -0.96 0.00 0.00 56.93 55.22 1xsk s PHE 303 Cb -0.05 -1.61 -0.02 0.00 -0.34 0.00 0.00 43.02 41.00 1xsk s PHE 303 CO -0.03 -0.22 -0.14 -1.58 -1.46 0.00 0.00 175.22 171.79 1xsk s HIS 304 N -0.15 2.76 -0.35 10.12 5.65 -0.09 -1.16 115.29 132.06 1xsk s HIS 304 Ca -0.04 -0.41 -0.13 0.00 0.25 0.00 0.00 55.06 54.74 1xsk s HIS 304 Cb -0.14 -1.74 -0.00 0.00 -1.18 0.00 0.00 32.58 29.52 1xsk s HIS 304 CO 0.04 -0.02 0.24 -0.06 -0.65 0.00 0.00 174.74 174.29 1xsk s PHE 305 N -0.18 3.22 0.80 3.88 0.08 0.13 -2.41 117.98 123.51 1xsk s PHE 305 Ca -0.00 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.58 1xsk s PHE 305 Cb -0.13 -2.48 0.15 0.00 -0.57 0.00 0.00 43.02 39.99 1xsk s PHE 305 CO 0.03 -0.45 1.11 0.34 -0.10 0.00 0.00 175.22 176.15 1xsk s ASP 306 N 1.68 3.93 0.00 1.36 2.15 -1.26 -0.46 116.67 124.08 1xsk s ASP 306 Ca 0.05 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 52.91 1xsk s ASP 306 Cb -0.18 -0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.30 1xsk s ASP 306 CO 0.09 -2.16 0.00 0.00 -0.17 0.00 0.00 175.17 172.94 1xsk n PHE 308 N -2.04 0.00 1.13 0.00 3.72 -1.26 -1.34 117.46 117.66 1xsk n PHE 308 Ca 0.00 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 1xsk n PHE 308 Cb 0.00 0.00 0.62 0.00 -0.94 0.00 0.00 39.48 39.16 1xsk n PHE 308 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 176.76 174.04 1xsk n TRP 309 N -0.10 0.00 -4.49 1.38 4.27 -0.80 -4.74 117.44 112.97 1xsk n TRP 309 Ca 0.00 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.36 1xsk n TRP 309 Cb 0.00 -0.41 -0.10 0.00 -1.36 0.00 0.00 31.31 29.44 1xsk n TRP 309 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 1xsk s MET 310 N -2.87 1.78 0.18 -2.67 -1.94 -0.45 -1.59 119.30 111.74 1xsk s MET 310 Ca 0.18 -1.82 -0.30 0.00 -1.71 0.00 0.00 55.69 52.04 1xsk s MET 310 Cb 0.19 -1.77 -0.08 0.00 2.01 0.00 0.00 34.83 35.18 1xsk s MET 310 CO 0.52 0.25 1.28 0.15 -0.01 0.00 0.00 175.02 177.20 1xsk s LYS 311 N -3.57 4.42 0.59 2.03 1.02 -1.26 -4.76 119.74 118.22 1xsk s LYS 311 Ca 0.31 1.99 -0.18 0.00 0.02 0.00 0.00 55.97 58.11 1xsk s LYS 311 Cb -0.02 -3.22 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 1xsk s LYS 311 CO 0.16 -0.22 0.80 0.00 -0.92 0.00 0.00 175.35 175.17 1xsk n ALA 312 N 2.73 -0.32 -0.65 5.17 0.00 -1.26 -1.97 120.51 124.22 1xsk n ALA 312 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1xsk n ALA 312 Cb 0.43 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1xsk n ALA 312 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xsk n PHE 313 N -1.74 0.00 -0.92 0.00 3.72 -1.26 -4.69 117.46 112.57 1xsk n PHE 313 Ca 0.13 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.62 1xsk n PHE 313 Cb 0.47 -1.07 0.14 0.00 -0.94 0.00 0.00 39.48 38.08 1xsk n PHE 313 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xsk n GLN 314 N -1.99 1.70 -1.54 -1.08 6.02 -0.83 -3.72 117.38 115.95 1xsk n GLN 314 Ca 0.00 -2.48 -0.54 0.00 -0.01 0.00 0.00 57.00 53.97 1xsk n GLN 314 Cb 0.00 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.71 1xsk n GLN 314 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1xsk n TRP 315 N -1.18 1.76 -1.82 1.08 8.01 -1.25 -3.14 117.44 120.91 1xsk n TRP 315 Ca 0.15 0.41 -0.02 0.00 -1.31 0.00 0.00 57.50 56.73 1xsk n TRP 315 Cb 0.62 -2.49 0.01 0.00 -2.01 0.00 0.00 31.31 27.45 1xsk n TRP 315 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1xsk n ASP 317 N -1.63 1.78 -1.23 0.00 5.68 -1.19 -4.76 116.55 115.21 1xsk n ASP 317 Ca -0.01 -1.39 -0.13 0.00 -0.50 0.00 0.00 54.79 52.76 1xsk n ASP 317 Cb 0.52 0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.49 1xsk n ASP 317 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1xsk n PHE 318 N 0.50 -0.29 -3.81 2.11 3.72 -1.26 -5.02 117.46 113.41 1xsk n PHE 318 Ca 0.06 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.10 1xsk n PHE 318 Cb 0.24 -2.60 -0.13 0.00 -0.94 0.00 0.00 39.48 36.06 1xsk n PHE 318 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xsk s GLU 319 N -3.83 3.61 0.33 -1.08 0.41 -1.26 -5.07 118.70 111.80 1xsk s GLU 319 Ca 0.00 -0.50 -0.29 0.00 -0.41 0.00 0.00 54.97 53.76 1xsk s GLU 319 Cb 0.00 -3.25 -0.11 0.00 -1.78 0.00 0.00 34.13 28.99 1xsk s GLU 319 CO 0.00 -0.17 1.56 -1.58 -0.49 0.00 0.00 175.26 174.58 1xsk s TRP 320 N 1.52 2.67 -0.04 1.61 0.52 -1.26 -4.05 118.94 119.91 1xsk s TRP 320 Ca 0.06 0.92 -0.30 0.00 0.02 0.00 0.00 56.10 56.80 1xsk s TRP 320 Cb -0.15 -4.06 -0.06 0.00 -1.15 0.00 0.00 33.47 28.05 1xsk s TRP 320 CO 0.02 -3.40 1.63 0.34 0.02 0.00 0.00 176.95 175.57 1xsk s ASP 321 N 0.25 6.68 0.24 2.95 -1.08 -0.62 -4.87 116.67 120.21 1xsk s ASP 321 Ca 0.59 2.24 -0.07 0.00 -0.52 0.00 0.00 52.55 54.80 1xsk s ASP 321 Cb -0.48 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 38.71 1xsk s ASP 321 CO 0.54 -0.91 1.88 -0.65 0.52 0.00 0.00 175.17 176.56 1xsk h PRO 322 N 9.29 1.07 0.13 4.34 0.11 -1.91 0.43 132.00 145.47 1xsk h PRO 322 Ca -0.39 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1xsk h PRO 322 Cb 1.18 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1xsk h PRO 322 CO 0.95 0.71 -0.06 -0.07 -0.21 0.00 0.00 178.00 179.31 1xsk h LEU 323 N 1.10 -0.15 -0.02 2.35 3.38 -1.98 -3.00 115.31 117.00 1xsk h LEU 323 Ca 0.35 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1xsk h LEU 323 Cb -0.00 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xsk h LEU 323 CO -0.11 0.03 -0.26 0.74 0.09 0.00 0.00 178.44 178.93 1xsk h THR 324 N -0.33 1.51 -3.02 0.22 2.02 -1.90 -3.40 112.91 108.00 1xsk h THR 324 Ca -0.02 -1.86 -0.62 0.00 0.77 0.00 0.00 66.41 64.69 1xsk h THR 324 Cb 0.26 2.64 -0.41 0.00 -1.74 0.00 0.00 68.15 68.90 1xsk h THR 324 CO 0.03 0.51 -0.63 -0.36 0.37 0.00 0.00 175.52 175.44 1xsk s PHE 325 N -3.30 3.19 0.21 3.16 0.08 0.15 -4.30 117.98 117.16 1xsk s PHE 325 Ca -0.15 -3.18 -0.10 0.00 0.12 0.00 0.00 56.93 53.62 1xsk s PHE 325 Cb 0.02 -2.48 0.26 0.00 -0.57 0.00 0.00 43.02 40.25 1xsk s PHE 325 CO 0.75 -0.60 1.76 -1.35 -0.10 0.00 0.00 175.22 175.67 1xsk h PRO 326 N 5.56 0.44 -3.25 0.24 0.11 -1.70 -3.36 132.00 130.04 1xsk h PRO 326 Ca 0.14 -0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.61 1xsk h PRO 326 Cb 0.79 -0.10 -0.40 0.00 0.11 0.00 0.00 31.00 31.40 1xsk h PRO 326 CO 0.67 0.29 -0.73 0.34 -0.21 0.00 0.00 178.00 178.36 1xsk s ASP 327 N -5.42 3.86 0.03 -2.05 2.15 -1.26 -5.00 116.67 108.98 1xsk s ASP 327 Ca -0.13 -2.43 -0.21 0.00 0.43 0.00 0.00 52.55 50.21 1xsk s ASP 327 Cb 0.17 -1.10 -0.12 0.00 -0.30 0.00 0.00 42.92 41.57 1xsk s ASP 327 CO 0.75 -0.30 1.28 -0.65 -0.17 0.00 0.00 175.17 176.08 1xsk h PRO 328 N 7.04 -0.74 -0.83 4.34 0.11 -1.99 -2.57 132.00 137.36 1xsk h PRO 328 Ca -0.04 0.05 0.19 0.00 0.11 0.00 0.00 66.00 66.31 1xsk h PRO 328 Cb 0.95 0.17 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 1xsk h PRO 328 CO 0.50 -0.50 -0.04 1.49 -0.21 0.00 0.00 178.00 179.24 1xsk h GLU 329 N -0.79 0.06 -0.40 1.05 4.57 -1.95 0.72 114.58 117.83 1xsk h GLU 329 Ca -0.08 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1xsk h GLU 329 Cb 0.59 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 1xsk h GLU 329 CO 0.13 0.04 0.23 0.78 -1.18 0.00 0.00 179.01 179.01 1xsk h GLY 330 N 0.06 0.58 0.79 1.92 0.00 -1.93 -2.65 103.07 101.84 1xsk h GLY 330 Ca 0.45 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.58 1xsk h GLY 330 CO -0.78 0.24 0.49 1.98 0.00 0.00 0.00 176.54 178.47 1xsk h MET 331 N 0.52 0.89 -0.10 4.80 1.85 -0.47 -2.11 114.93 120.32 1xsk h MET 331 Ca 0.14 -0.05 -0.08 0.00 -0.61 0.00 0.00 59.70 59.10 1xsk h MET 331 Cb 0.02 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 31.84 1xsk h MET 331 CO -0.03 0.59 -0.30 -0.84 -0.40 0.00 0.00 176.91 175.94 1xsk h ILE 332 N 0.92 1.25 0.21 1.77 -0.00 -1.07 -1.99 117.51 118.60 1xsk h ILE 332 Ca 0.33 -1.19 -0.01 0.00 -0.00 0.00 0.00 64.86 63.99 1xsk h ILE 332 Cb 0.10 1.51 0.00 0.00 -0.00 0.00 0.00 36.82 38.43 1xsk h ILE 332 CO -0.15 0.35 -0.10 0.03 -0.00 0.00 0.00 178.15 178.29 1xsk h ARG 333 N 0.16 -0.27 -0.47 0.16 3.08 -1.03 0.12 114.38 116.12 1xsk h ARG 333 Ca 0.02 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1xsk h ARG 333 Cb 0.61 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1xsk h ARG 333 CO 0.04 -0.02 0.28 0.00 -1.07 0.00 0.00 179.97 179.20 1xsk h ARG 334 N -0.49 0.54 -0.29 0.04 3.08 -1.41 0.32 114.38 116.17 1xsk h ARG 334 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1xsk h ARG 334 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1xsk h ARG 334 CO 0.05 0.36 0.15 -0.07 -1.07 0.00 0.00 179.97 179.39 1xsk h LEU 335 N 0.56 0.37 -0.97 3.04 3.38 -1.30 -2.74 115.31 117.65 1xsk h LEU 335 Ca 0.19 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1xsk h LEU 335 Cb 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xsk h LEU 335 CO -0.09 0.36 -0.50 0.11 0.09 0.00 0.00 178.44 178.41 1xsk h LYS 336 N 0.35 0.03 0.00 1.13 1.57 -0.45 -2.60 116.57 116.60 1xsk h LYS 336 Ca 0.10 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1xsk h LYS 336 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1xsk h LYS 336 CO -0.02 0.52 -0.01 0.00 -0.57 0.00 0.00 179.45 179.37 1xsk h ALA 337 N 1.47 1.07 -0.23 3.86 0.00 -0.06 -1.23 119.26 124.14 1xsk h ALA 337 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xsk h ALA 337 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xsk h ALA 337 CO 0.07 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.96 1xsk n LYS 338 N -3.20 2.53 -2.72 0.00 5.02 -0.98 -4.86 118.16 113.95 1xsk n LYS 338 Ca -0.02 -1.24 -0.09 0.00 -2.02 0.00 0.00 58.31 54.94 1xsk n LYS 338 Cb 0.15 -1.80 0.05 0.00 -0.02 0.00 0.00 35.03 33.41 1xsk n LYS 338 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsk n GLY 339 N 0.26 -0.03 3.12 0.72 0.00 -0.47 -5.05 105.19 103.73 1xsk n GLY 339 Ca 0.11 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1xsk n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsk s LEU 340 N -4.35 2.30 0.03 0.99 1.43 -1.16 -4.78 118.68 113.13 1xsk s LEU 340 Ca 0.05 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1xsk s LEU 340 Cb -0.01 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 1xsk s LEU 340 CO 0.40 -0.18 0.02 -0.54 0.23 0.00 0.00 176.35 176.28 1xsk s LYS 341 N -1.93 2.79 -0.06 1.70 -0.14 -0.88 -4.35 119.74 116.87 1xsk s LYS 341 Ca -0.04 -0.65 0.05 0.00 -1.36 0.00 0.00 55.97 53.97 1xsk s LYS 341 Cb -0.08 -2.68 -0.02 0.00 -1.68 0.00 0.00 37.83 33.37 1xsk s LYS 341 CO 0.01 0.60 -0.21 0.42 -0.76 0.00 0.00 175.35 175.41 1xsk s ILE 342 N -1.19 2.46 -0.02 2.17 1.09 -1.26 -0.50 121.20 123.95 1xsk s ILE 342 Ca 0.23 -0.93 0.03 0.00 -1.10 0.00 0.00 60.65 58.88 1xsk s ILE 342 Cb -0.12 -1.93 -0.00 0.00 -1.06 0.00 0.00 42.46 39.35 1xsk s ILE 342 CO 0.14 0.57 -0.12 0.00 -0.10 0.00 0.00 174.94 175.43 1xsk s VAL 344 N 0.00 1.61 0.47 0.00 -7.23 -1.15 -0.70 120.40 113.40 1xsk s VAL 344 Ca -0.01 -1.26 -0.23 0.00 -1.81 0.00 0.00 61.98 58.67 1xsk s VAL 344 Cb -0.08 -1.42 -0.07 0.00 0.56 0.00 0.00 36.38 35.37 1xsk s VAL 344 CO 0.01 0.11 1.26 0.86 -0.31 0.00 0.00 175.10 177.03 1xsk s TRP 345 N -0.90 2.68 0.20 2.82 -0.00 0.40 -2.43 118.94 121.71 1xsk s TRP 345 Ca 0.06 1.45 -0.18 0.00 -0.00 0.00 0.00 56.10 57.43 1xsk s TRP 345 Cb -0.09 -3.59 0.03 0.00 -0.00 0.00 0.00 33.47 29.82 1xsk s TRP 345 CO 0.02 -2.10 0.53 0.96 -0.00 0.00 0.00 176.95 176.37 1xsk s ILE 346 N -1.39 0.02 0.33 5.86 -4.36 -0.83 -4.87 121.20 115.96 1xsk s ILE 346 Ca 0.64 -0.76 -0.19 0.00 -0.26 0.00 0.00 60.65 60.09 1xsk s ILE 346 Cb -0.35 -1.57 0.03 0.00 1.25 0.00 0.00 42.46 41.82 1xsk s ILE 346 CO 0.43 -0.11 0.75 0.54 0.24 0.00 0.00 174.94 176.79 1xsk s ASN 347 N -2.87 -0.14 0.00 4.36 6.03 -1.26 -2.15 114.94 118.90 1xsk s ASN 347 Ca 0.09 -0.85 0.18 0.00 -1.03 0.00 0.00 52.86 51.26 1xsk s ASN 347 Cb -0.01 0.78 0.51 0.00 -3.03 0.00 0.00 41.25 39.50 1xsk s ASN 347 CO -0.03 -1.50 1.42 -0.81 -2.03 0.00 0.00 177.10 174.15 1xsk n PRO 348 N -0.49 2.15 -3.83 3.55 -0.04 -1.26 -4.94 135.00 130.14 1xsk n PRO 348 Ca -0.06 -1.76 -0.22 0.00 -0.04 0.00 0.00 63.50 61.42 1xsk n PRO 348 Cb 0.59 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 1xsk n PRO 348 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xsk s TYR 349 N -1.44 2.80 -0.13 0.54 2.02 -1.26 -1.66 117.35 118.21 1xsk s TYR 349 Ca 0.35 -0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 56.61 1xsk s TYR 349 Cb 0.19 -1.86 0.06 0.00 -0.40 0.00 0.00 41.96 39.94 1xsk s TYR 349 CO 0.25 0.15 0.30 -1.50 -1.57 0.00 0.00 175.55 173.18 1xsk s ILE 350 N -2.39 -0.17 0.46 2.71 2.07 -0.43 -4.44 121.20 119.02 1xsk s ILE 350 Ca 0.42 0.17 -0.22 0.00 -1.41 0.00 0.00 60.65 59.61 1xsk s ILE 350 Cb -0.04 -0.47 -0.08 0.00 0.13 0.00 0.00 42.46 42.01 1xsk s ILE 350 CO 0.26 0.07 1.10 -0.83 -1.91 0.00 0.00 174.94 173.62 1xsk s GLY 351 N 1.67 2.69 0.40 1.50 0.00 -1.23 -1.55 107.32 110.80 1xsk s GLY 351 Ca -0.06 0.78 0.08 0.00 0.00 0.00 0.00 44.72 45.51 1xsk s GLY 351 CO -0.10 1.18 1.99 -1.61 0.00 0.00 0.00 173.10 174.56 1xsk h GLN 352 N 1.96 0.40 0.00 2.90 4.15 -1.43 -2.76 115.11 120.32 1xsk h GLN 352 Ca -0.49 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 58.87 1xsk h GLN 352 Cb 1.23 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 1xsk h GLN 352 CO 0.60 0.36 -0.03 -0.22 -1.93 0.00 0.00 178.83 177.62 1xsk h LYS 353 N 0.39 0.00 -6.78 1.69 3.64 -1.79 -3.44 116.57 110.29 1xsk h LYS 353 Ca 0.10 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.96 1xsk h LYS 353 Cb 0.14 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1xsk h LYS 353 CO -0.01 0.03 0.60 0.45 -2.27 0.00 0.00 179.45 178.26 1xsk s SER 354 N -5.89 6.94 0.50 4.20 0.15 -1.04 -4.91 113.70 113.66 1xsk s SER 354 Ca -0.04 2.46 0.15 0.00 0.70 0.00 0.00 55.95 59.22 1xsk s SER 354 Cb 0.14 -2.63 1.22 0.00 -1.71 0.00 0.00 66.02 63.04 1xsk s SER 354 CO 0.52 -0.44 2.13 -0.65 1.20 0.00 0.00 173.24 176.00 1xsk h PRO 355 N 4.33 0.08 0.00 5.44 0.11 -1.90 -1.58 132.00 138.48 1xsk h PRO 355 Ca -0.47 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1xsk h PRO 355 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xsk h PRO 355 CO 0.71 0.05 -0.25 0.28 -0.21 0.00 0.00 178.00 178.58 1xsk h VAL 356 N 0.08 0.78 -0.30 3.15 2.07 -1.94 -3.23 116.25 116.88 1xsk h VAL 356 Ca 0.04 -1.03 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1xsk h VAL 356 Cb 0.05 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1xsk h VAL 356 CO -0.01 0.25 -0.08 0.15 0.02 0.00 0.00 177.57 177.90 1xsk h PHE 357 N 0.00 -0.18 -0.18 1.57 3.04 -1.55 -0.47 116.94 119.16 1xsk h PHE 357 Ca -0.00 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 1xsk h PHE 357 Cb 0.61 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1xsk h PHE 357 CO 0.00 -0.14 -0.09 -0.22 -2.02 0.00 0.00 178.31 175.84 1xsk h LYS 358 N -0.02 0.29 -0.18 1.11 3.64 -1.72 -0.20 116.57 119.49 1xsk h LYS 358 Ca 0.14 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1xsk h LYS 358 Cb 0.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1xsk h LYS 358 CO -0.31 0.39 0.03 1.49 -2.27 0.00 0.00 179.45 178.78 1xsk h GLU 359 N 0.27 0.30 -0.62 1.90 4.81 -1.35 -1.71 114.58 118.18 1xsk h GLU 359 Ca 0.06 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1xsk h GLU 359 Cb 0.34 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1xsk h GLU 359 CO 0.02 0.46 0.10 -0.07 -0.73 0.00 0.00 179.01 178.79 1xsk h LEU 360 N 0.10 0.97 -0.90 1.64 3.38 -0.68 -2.00 115.31 117.81 1xsk h LEU 360 Ca 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1xsk h LEU 360 Cb 0.30 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1xsk h LEU 360 CO 0.00 0.96 0.30 -0.61 0.09 0.00 0.00 178.44 179.19 1xsk h GLN 361 N 0.95 1.10 -0.29 1.13 4.15 -0.93 -0.30 115.11 120.92 1xsk h GLN 361 Ca 0.19 -0.19 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 1xsk h GLN 361 Cb 0.41 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1xsk h GLN 361 CO 0.01 0.89 -0.50 0.93 -1.93 0.00 0.00 178.83 178.23 1xsk h GLU 362 N 1.08 0.83 0.00 1.69 5.08 -1.05 -3.01 114.58 119.19 1xsk h GLU 362 Ca 0.25 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1xsk h GLU 362 Cb 0.20 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1xsk h GLU 362 CO -0.02 1.13 0.00 1.63 -1.00 0.00 0.00 179.01 180.75 1xsk n LYS 363 N -4.01 0.07 -2.72 2.33 5.02 -0.78 -4.94 118.16 113.13 1xsk n LYS 363 Ca -0.03 0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 56.28 1xsk n LYS 363 Cb 0.60 -1.58 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 1xsk n LYS 363 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsk n GLY 364 N 1.27 0.46 0.97 0.72 0.00 -0.23 -4.98 105.19 103.40 1xsk n GLY 364 Ca 0.06 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1xsk n GLY 364 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xsk n TYR 365 N -2.91 0.05 -4.45 1.61 4.01 -0.58 -4.95 117.16 109.95 1xsk n TYR 365 Ca -0.02 -0.02 -0.34 0.00 -0.16 0.00 0.00 57.90 57.36 1xsk n TYR 365 Cb 0.52 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.45 1xsk n TYR 365 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsk s LEU 366 N -1.93 3.38 -0.01 7.72 1.43 -1.26 -1.28 118.68 126.72 1xsk s LEU 366 Ca 0.29 0.02 -0.37 0.00 -1.03 0.00 0.00 54.13 53.03 1xsk s LEU 366 Cb 0.20 -1.82 -0.16 0.00 0.03 0.00 0.00 46.19 44.44 1xsk s LEU 366 CO 0.30 0.34 1.50 -0.11 0.23 0.00 0.00 176.35 178.60 1xsk n LEU 367 N 1.92 2.07 -4.80 1.79 7.94 0.10 -4.77 117.00 121.26 1xsk n LEU 367 Ca -0.17 1.10 -0.22 0.00 -1.11 0.00 0.00 56.01 55.61 1xsk n LEU 367 Cb 0.53 -1.21 -0.05 0.00 0.53 0.00 0.00 43.42 43.22 1xsk n LEU 367 CO 0.29 -0.76 -0.19 -0.54 -1.11 0.00 0.00 177.39 175.08 1xsk s LYS 368 N 1.52 2.83 0.70 1.96 1.02 -1.26 -1.71 119.74 124.80 1xsk s LYS 368 Ca 0.88 -1.11 -0.06 0.00 0.02 0.00 0.00 55.97 55.70 1xsk s LYS 368 Cb -0.95 -2.50 0.07 0.00 -0.52 0.00 0.00 37.83 33.94 1xsk s LYS 368 CO 0.51 0.39 1.00 1.03 -0.92 0.00 0.00 175.35 177.37 1xsk s ARG 369 N -3.82 2.09 0.31 1.68 0.52 0.17 -1.75 118.95 118.16 1xsk s ARG 369 Ca 0.33 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 55.16 1xsk s ARG 369 Cb -0.08 -2.20 0.64 0.00 0.52 0.00 0.00 34.95 33.83 1xsk s ARG 369 CO 0.24 -1.27 1.85 -1.35 0.02 0.00 0.00 175.30 174.80 1xsk h PRO 370 N -0.57 0.88 0.00 3.54 0.11 -1.82 -1.69 132.00 132.44 1xsk h PRO 370 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xsk h PRO 370 Cb 1.30 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xsk h PRO 370 CO 0.56 0.58 0.00 -0.40 -0.21 0.00 0.00 178.00 178.53 1xsk n ASP 371 N -4.59 0.00 0.00 -2.05 5.68 -1.26 -4.85 116.55 109.48 1xsk n ASP 371 Ca 0.18 -0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1xsk n ASP 371 Cb 0.37 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1xsk n ASP 371 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsk n GLY 372 N 0.15 3.33 3.79 6.12 0.00 -0.64 -5.07 105.19 112.88 1xsk n GLY 372 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1xsk n GLY 372 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsk s SER 373 N -1.11 4.10 0.40 1.61 1.04 -1.26 -4.70 113.70 113.79 1xsk s SER 373 Ca 0.00 1.22 -0.23 0.00 0.48 0.00 0.00 55.95 57.42 1xsk s SER 373 Cb 0.00 -1.91 -0.10 0.00 0.10 0.00 0.00 66.02 64.12 1xsk s SER 373 CO 0.00 -2.21 1.00 -0.76 0.98 0.00 0.00 173.24 172.25 1xsk s LEU 374 N -5.90 4.08 -0.05 2.42 1.43 -1.26 0.45 118.68 119.86 1xsk s LEU 374 Ca 0.62 1.88 -0.26 0.00 -1.03 0.00 0.00 54.13 55.33 1xsk s LEU 374 Cb -0.15 -4.31 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 1xsk s LEU 374 CO 0.54 -0.40 0.82 0.86 0.23 0.00 0.00 176.35 178.40 1xsk s TRP 375 N -1.85 3.60 -0.01 0.29 -0.00 -0.69 -4.59 118.94 115.69 1xsk s TRP 375 Ca 0.59 1.42 -0.17 0.00 -0.00 0.00 0.00 56.10 57.94 1xsk s TRP 375 Cb -0.17 -2.94 0.03 0.00 -0.00 0.00 0.00 33.47 30.39 1xsk s TRP 375 CO 0.21 0.03 0.36 -0.65 -0.00 0.00 0.00 176.95 176.90 1xsk s GLN 376 N 0.98 0.75 0.32 5.86 -0.21 -1.26 -4.48 119.66 121.62 1xsk s GLN 376 Ca 0.43 -0.17 -0.15 0.00 0.02 0.00 0.00 55.36 55.49 1xsk s GLN 376 Cb -0.19 0.34 0.03 0.00 1.00 0.00 0.00 33.01 34.18 1xsk s GLN 376 CO 0.21 -0.22 0.67 1.67 -2.12 0.00 0.00 175.29 175.50 1xsk s TRP 377 N -1.50 0.20 -0.30 0.91 1.48 -1.20 -4.98 118.94 113.55 1xsk s TRP 377 Ca -0.12 -0.70 0.10 0.00 -1.06 0.00 0.00 56.10 54.33 1xsk s TRP 377 Cb -0.04 0.56 0.61 0.00 -1.16 0.00 0.00 33.47 33.43 1xsk s TRP 377 CO 0.04 -1.31 1.63 -0.25 -4.06 0.00 0.00 176.95 173.00 1xsk n ASP 378 N -0.94 3.67 -4.78 -2.66 8.00 -1.26 -1.73 116.55 116.85 1xsk n ASP 378 Ca -0.05 -3.42 -0.38 0.00 0.71 0.00 0.00 54.79 51.65 1xsk n ASP 378 Cb 0.60 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 1xsk n ASP 378 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xsk s LYS 379 N -3.09 4.23 0.00 -1.24 1.02 -1.26 -4.32 119.74 115.08 1xsk s LYS 379 Ca 0.49 0.64 0.00 0.00 0.02 0.00 0.00 55.97 57.12 1xsk s LYS 379 Cb 0.41 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1xsk s LYS 379 CO 0.07 0.45 0.00 1.87 -0.92 0.00 0.00 175.35 176.82 1xsk n TRP 380 N 2.50 0.00 -3.79 3.18 -0.00 -1.26 -4.75 117.44 113.32 1xsk n TRP 380 Ca -0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.29 1xsk n TRP 380 Cb 0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.70 1xsk n TRP 380 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xsk s GLN 381 N 0.00 0.22 0.32 5.87 -1.52 -1.26 -4.99 119.66 118.29 1xsk s GLN 381 Ca 0.00 0.33 -0.29 0.00 -1.95 0.00 0.00 55.36 53.44 1xsk s GLN 381 Cb 0.00 0.06 -0.11 0.00 -0.22 0.00 0.00 33.01 32.74 1xsk s GLN 381 CO 0.00 -0.06 1.45 -1.25 -0.25 0.00 0.00 175.29 175.19 1xsk s PRO 382 N 0.35 4.21 -1.81 2.91 0.04 -1.26 -2.06 135.00 137.38 1xsk s PRO 382 Ca -0.02 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1xsk s PRO 382 Cb -0.03 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1xsk s PRO 382 CO -0.01 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1xsk n GLY 383 N 1.32 0.30 3.69 0.56 0.00 -1.16 -2.20 105.19 107.71 1xsk n GLY 383 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1xsk n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsk n LEU 384 N -2.75 4.02 -4.70 0.99 0.00 -0.70 -3.32 117.00 110.54 1xsk n LEU 384 Ca -0.22 0.99 -0.25 0.00 0.00 0.00 0.00 56.01 56.54 1xsk n LEU 384 Cb 0.66 -1.54 -0.08 0.00 0.00 0.00 0.00 43.42 42.46 1xsk n LEU 384 CO 0.28 0.17 -0.21 0.00 0.00 0.00 0.00 177.39 177.63 1xsk s ALA 385 N 2.58 3.45 -0.07 1.96 0.00 -0.59 -3.26 121.76 125.82 1xsk s ALA 385 Ca 0.81 -2.08 0.05 0.00 0.00 0.00 0.00 51.96 50.75 1xsk s ALA 385 Cb -0.49 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1xsk s ALA 385 CO 0.37 -0.10 -0.23 0.42 0.00 0.00 0.00 175.76 176.23 1xsk s ILE 386 N -2.58 2.26 0.00 0.00 1.01 -1.26 -1.31 121.20 119.32 1xsk s ILE 386 Ca 0.39 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 1xsk s ILE 386 Cb 0.03 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.60 1xsk s ILE 386 CO 0.21 0.57 1.54 -0.31 0.00 0.00 0.00 174.94 176.95 1xsk s TYR 387 N -0.15 2.51 -0.82 3.97 1.51 -0.66 0.00 117.35 123.70 1xsk s TYR 387 Ca -0.03 0.52 -0.24 0.00 -1.01 0.00 0.00 57.07 56.31 1xsk s TYR 387 Cb -0.14 -3.81 0.06 0.00 -0.11 0.00 0.00 41.96 37.96 1xsk s TYR 387 CO 0.04 -3.21 1.24 0.34 -1.11 0.00 0.00 175.55 172.85 1xsk s ASP 388 N 2.38 6.32 0.00 2.29 -1.08 -0.41 -4.74 116.67 121.44 1xsk s ASP 388 Ca 0.69 -1.06 0.18 0.00 -0.52 0.00 0.00 52.55 51.84 1xsk s ASP 388 Cb -0.34 -2.51 1.06 0.00 -1.46 0.00 0.00 42.92 39.67 1xsk s ASP 388 CO 0.29 -1.56 1.54 0.49 0.52 0.00 0.00 175.17 176.45 1xsk n PHE 389 N 8.50 0.00 1.18 -5.34 0.99 -1.26 -2.09 117.46 119.43 1xsk n PHE 389 Ca 0.13 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.70 1xsk n PHE 389 Cb 0.49 0.00 0.33 0.00 -1.00 0.00 0.00 39.48 39.30 1xsk n PHE 389 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1xsk n THR 390 N -0.86 0.00 -3.26 4.37 -2.24 -1.26 -4.74 114.28 106.29 1xsk n THR 390 Ca 0.13 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.42 1xsk n THR 390 Cb 0.06 0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 68.61 1xsk n THR 390 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xsk s ASN 391 N -2.62 6.43 0.20 3.42 3.84 -0.89 -4.17 114.94 121.15 1xsk s ASN 391 Ca 0.21 0.52 -0.11 0.00 0.21 0.00 0.00 52.86 53.69 1xsk s ASN 391 Cb 0.19 -2.27 0.17 0.00 -0.55 0.00 0.00 41.25 38.78 1xsk s ASN 391 CO 0.57 -0.26 1.85 -0.65 -2.79 0.00 0.00 177.10 175.82 1xsk h PRO 392 N 7.94 0.83 -0.43 0.43 0.11 -1.87 -1.21 132.00 137.80 1xsk h PRO 392 Ca -0.30 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 1xsk h PRO 392 Cb 1.14 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1xsk h PRO 392 CO 0.71 0.55 -0.17 -0.44 -0.21 0.00 0.00 178.00 178.44 1xsk h ASP 393 N 0.86 0.90 -0.73 -2.05 3.32 -1.95 -1.85 116.42 114.92 1xsk h ASP 393 Ca 0.27 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 56.97 1xsk h ASP 393 Cb -0.01 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 1xsk h ASP 393 CO -0.09 1.08 0.45 0.00 -1.72 0.00 0.00 179.24 178.96 1xsk h ALA 394 N 0.84 0.96 -0.24 3.45 0.00 -1.79 -0.36 119.26 122.13 1xsk h ALA 394 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xsk h ALA 394 Cb 0.73 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xsk h ALA 394 CO 0.06 0.22 0.15 0.00 0.00 0.00 0.00 179.25 179.67 1xsk h LYS 396 N 0.30 0.51 0.29 0.00 3.64 -0.74 0.20 116.57 120.78 1xsk h LYS 396 Ca 0.09 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1xsk h LYS 396 Cb 0.02 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1xsk h LYS 396 CO -0.02 0.34 -0.50 2.35 -2.27 0.00 0.00 179.45 179.36 1xsk h TRP 397 N 0.53 -1.41 -0.30 1.91 7.01 -0.81 0.19 115.95 123.07 1xsk h TRP 397 Ca 0.18 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.27 1xsk h TRP 397 Cb 0.02 0.58 -0.07 0.00 -2.10 0.00 0.00 29.16 27.59 1xsk h TRP 397 CO -0.07 -0.61 -0.13 -0.92 -2.79 0.00 0.00 178.44 173.92 1xsk h TYR 398 N -0.84 -0.30 -0.80 2.65 3.20 -1.20 -1.64 116.97 118.04 1xsk h TYR 398 Ca -0.03 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1xsk h TYR 398 Cb 0.78 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 39.16 1xsk h TYR 398 CO -0.35 -0.20 0.46 0.00 -1.64 0.00 0.00 178.16 176.43 1xsk h ALA 399 N 1.18 1.13 -0.76 1.82 0.00 -0.59 -2.04 119.26 120.00 1xsk h ALA 399 Ca 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xsk h ALA 399 Cb 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1xsk h ALA 399 CO -0.35 0.10 0.44 -0.44 0.00 0.00 0.00 179.25 179.00 1xsk h ASP 400 N 0.79 0.92 -0.95 0.00 3.32 0.31 -0.85 116.42 119.96 1xsk h ASP 400 Ca 0.38 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.40 1xsk h ASP 400 Cb 0.32 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 1xsk h ASP 400 CO -0.23 0.73 0.62 0.11 -1.72 0.00 0.00 179.24 178.75 1xsk h LYS 401 N 1.04 1.13 -0.65 3.56 1.79 -0.84 -0.79 116.57 121.81 1xsk h LYS 401 Ca 0.27 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.59 1xsk h LYS 401 Cb -0.01 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.36 1xsk h LYS 401 CO -0.05 0.75 0.07 -0.07 -1.08 0.00 0.00 179.45 179.07 1xsk h LEU 402 N 1.17 1.06 -1.24 2.94 3.38 -0.91 -2.22 115.31 119.50 1xsk h LEU 402 Ca 0.39 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1xsk h LEU 402 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xsk h LEU 402 CO -0.13 1.07 -0.03 0.11 0.09 0.00 0.00 178.44 179.56 1xsk h LYS 403 N 1.01 0.49 -0.75 1.13 1.57 -0.31 -0.59 116.57 119.13 1xsk h LYS 403 Ca 0.19 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1xsk h LYS 403 Cb 0.49 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1xsk h LYS 403 CO 0.02 0.54 0.38 0.78 -0.57 0.00 0.00 179.45 180.60 1xsk h GLY 404 N 0.83 1.14 1.62 3.86 0.00 -0.61 0.20 103.07 110.12 1xsk h GLY 404 Ca 0.10 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1xsk h GLY 404 CO 0.01 0.52 -0.44 1.41 0.00 0.00 0.00 176.54 178.04 1xsk h LEU 405 N 1.04 0.44 -0.26 3.11 3.38 -0.80 -2.31 115.31 119.92 1xsk h LEU 405 Ca 0.26 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1xsk h LEU 405 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xsk h LEU 405 CO -0.04 0.83 -0.13 0.58 0.09 0.00 0.00 178.44 179.77 1xsk h VAL 406 N 0.34 1.30 0.00 1.22 2.07 -0.55 -1.43 116.25 119.19 1xsk h VAL 406 Ca 0.02 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1xsk h VAL 406 Cb 0.92 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1xsk h VAL 406 CO 0.08 0.38 -0.03 0.00 0.02 0.00 0.00 177.57 178.02 1xsk h ALA 407 N 0.73 1.13 -0.00 1.67 0.00 -0.54 0.07 119.26 122.31 1xsk h ALA 407 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xsk h ALA 407 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xsk h ALA 407 CO 0.04 0.04 -0.09 -0.12 0.00 0.00 0.00 179.25 179.12 1xsk n MET 408 N -3.31 0.57 0.00 0.00 0.00 -0.88 -4.90 117.12 108.61 1xsk n MET 408 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.53 1xsk n MET 408 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.89 1xsk n MET 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xsk n GLY 409 N 1.29 0.84 3.77 -5.12 0.00 0.01 -4.75 105.19 101.22 1xsk n GLY 409 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1xsk n GLY 409 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsk s VAL 410 N -2.00 2.98 -0.17 1.61 1.01 -0.59 -4.66 120.40 118.59 1xsk s VAL 410 Ca 0.00 0.88 0.10 0.00 0.00 0.00 0.00 61.98 62.96 1xsk s VAL 410 Cb 0.00 -3.52 -0.17 0.00 0.00 0.00 0.00 36.38 32.69 1xsk s VAL 410 CO 0.00 0.13 -0.02 0.47 0.00 0.00 0.00 175.10 175.68 1xsk n ASP 411 N 0.34 1.61 -3.82 3.32 8.00 0.42 -4.40 116.55 122.02 1xsk n ASP 411 Ca 0.03 -0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.39 1xsk n ASP 411 Cb 0.45 0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 42.01 1xsk n ASP 411 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xsk s PHE 413 N -3.76 1.56 -0.40 0.00 0.40 -1.25 -2.94 117.98 111.58 1xsk s PHE 413 Ca 0.24 -0.51 -0.08 0.00 -0.60 0.00 0.00 56.93 55.98 1xsk s PHE 413 Cb -0.00 -0.81 0.08 0.00 0.51 0.00 0.00 43.02 42.79 1xsk s PHE 413 CO 0.11 0.20 0.23 0.21 0.70 0.00 0.00 175.22 176.67 1xsk s LYS 414 N -2.57 2.54 -1.03 0.44 2.20 -1.02 -1.62 119.74 118.70 1xsk s LYS 414 Ca 0.10 -1.45 -0.20 0.00 -0.36 0.00 0.00 55.97 54.06 1xsk s LYS 414 Cb -0.06 -3.70 0.10 0.00 -1.51 0.00 0.00 37.83 32.66 1xsk s LYS 414 CO 0.04 -0.92 1.33 0.95 -0.36 0.00 0.00 175.35 176.40 1xsk s THR 415 N 1.39 4.41 0.61 3.43 -4.23 -0.46 -1.96 115.64 118.84 1xsk s THR 415 Ca 0.03 -1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 59.05 1xsk s THR 415 Cb -0.22 -4.93 0.02 0.00 1.34 0.00 0.00 72.50 68.70 1xsk s THR 415 CO 0.01 -1.73 0.93 -0.62 -0.54 0.00 0.00 174.62 172.67 1xsk s ASP 416 N 4.09 5.44 0.67 3.99 -1.08 -0.91 -2.23 116.67 126.64 1xsk s ASP 416 Ca 0.41 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 53.10 1xsk s ASP 416 Cb -0.02 -1.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.85 1xsk s ASP 416 CO -0.07 -1.17 0.00 0.49 0.52 0.00 0.00 175.17 174.94 1xsk n PHE 417 N -2.65 -0.67 0.00 -5.34 3.01 -1.26 -4.42 117.46 106.13 1xsk n PHE 417 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1xsk n PHE 417 Cb 0.58 0.13 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 1xsk n PHE 417 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xsk n GLY 418 N 0.00 0.79 0.11 1.37 0.00 -1.26 -4.24 105.19 101.96 1xsk n GLY 418 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1xsk n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xsk n GLU 419 N -1.61 0.68 -1.72 1.61 0.00 -1.26 -4.23 120.64 114.11 1xsk n GLU 419 Ca 0.00 0.16 -0.41 0.00 0.00 0.00 0.00 57.16 56.91 1xsk n GLU 419 Cb 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 31.44 29.80 1xsk n GLU 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xsk n ARG 420 N -3.08 3.23 -3.22 3.44 1.74 -1.26 -4.49 116.66 113.01 1xsk n ARG 420 Ca -0.31 -2.66 -0.39 0.00 -0.77 0.00 0.00 57.85 53.71 1xsk n ARG 420 Cb 1.07 -3.10 -0.06 0.00 -1.02 0.00 0.00 32.46 29.36 1xsk n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xsk s ILE 421 N 2.40 5.12 0.57 0.55 -1.09 -1.26 -5.06 121.20 122.43 1xsk s ILE 421 Ca 0.52 1.08 -0.15 0.00 -2.23 0.00 0.00 60.65 59.86 1xsk s ILE 421 Cb 0.15 -3.88 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 1xsk s ILE 421 CO -0.07 0.25 1.03 -2.16 -1.23 0.00 0.00 174.94 172.76 1xsk s PRO 422 N 1.03 3.55 -0.02 2.79 0.04 -1.26 -4.85 135.00 136.27 1xsk s PRO 422 Ca 0.28 1.07 0.15 0.00 0.04 0.00 0.00 61.00 62.54 1xsk s PRO 422 Cb -0.16 -2.07 -0.23 0.00 0.04 0.00 0.00 34.50 32.08 1xsk s PRO 422 CO 0.12 -0.61 0.32 0.25 0.04 0.00 0.00 177.00 177.11 1xsk n THR 423 N -1.97 0.02 -1.16 1.26 -2.24 -1.26 -4.60 114.28 104.33 1xsk n THR 423 Ca 0.08 -0.34 -0.24 0.00 -2.27 0.00 0.00 64.05 61.28 1xsk n THR 423 Cb 0.53 0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 1xsk n THR 423 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xsk n ASP 424 N -2.03 6.74 -1.59 3.42 3.85 -1.26 -4.75 116.55 120.94 1xsk n ASP 424 Ca -0.03 -2.55 -0.04 0.00 -0.71 0.00 0.00 54.79 51.46 1xsk n ASP 424 Cb 0.40 -1.47 -0.01 0.00 -1.35 0.00 0.00 41.12 38.69 1xsk n ASP 424 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 1xsk n VAL 425 N 2.87 0.00 -3.48 2.12 0.24 -1.26 -4.46 118.33 114.36 1xsk n VAL 425 Ca 0.58 -0.43 -0.22 0.00 -2.04 0.00 0.00 64.34 62.23 1xsk n VAL 425 Cb 0.62 0.19 -0.13 0.00 -1.47 0.00 0.00 33.84 33.06 1xsk n VAL 425 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1xsk s GLN 426 N -2.26 0.24 0.74 7.34 0.74 -0.72 -4.64 119.66 121.10 1xsk s GLN 426 Ca 0.06 -0.21 -0.14 0.00 0.05 0.00 0.00 55.36 55.12 1xsk s GLN 426 Cb 0.00 -1.01 0.04 0.00 1.10 0.00 0.00 33.01 33.15 1xsk s GLN 426 CO 0.04 -0.94 1.17 -1.58 -0.55 0.00 0.00 175.29 173.43 1xsk s TRP 427 N 2.25 2.18 0.11 1.67 0.52 -1.26 -4.35 118.94 120.06 1xsk s TRP 427 Ca 0.08 1.61 -0.27 0.00 0.02 0.00 0.00 56.10 57.54 1xsk s TRP 427 Cb -0.15 -3.35 -0.08 0.00 -1.15 0.00 0.00 33.47 28.74 1xsk s TRP 427 CO -0.29 -2.34 1.64 0.35 0.02 0.00 0.00 176.95 176.33 1xsk h PHE 428 N -0.48 -0.70 0.00 -1.98 3.57 -1.94 -2.14 116.94 113.28 1xsk h PHE 428 Ca -0.46 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1xsk h PHE 428 Cb 1.27 0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.31 1xsk h PHE 428 CO 0.50 -0.36 0.00 -0.40 -2.23 0.00 0.00 178.31 175.82 1xsk n ASP 429 N -5.38 0.00 0.00 0.41 5.75 -1.26 -4.88 116.55 111.20 1xsk n ASP 429 Ca -0.06 -0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 1xsk n ASP 429 Cb 0.29 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1xsk n ASP 429 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsk n GLY 430 N 0.48 0.64 3.23 6.12 0.00 -0.81 -5.03 105.19 109.82 1xsk n GLY 430 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1xsk n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsk n SER 431 N 0.00 -2.71 -4.68 1.61 7.64 -1.26 -4.90 113.62 109.32 1xsk n SER 431 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.48 1xsk n SER 431 Cb 0.00 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.25 1xsk n SER 431 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xsk s ASP 432 N -1.65 6.88 0.24 6.43 2.15 0.16 -4.67 116.67 126.21 1xsk s ASP 432 Ca 0.51 1.07 -0.04 0.00 0.43 0.00 0.00 52.55 54.52 1xsk s ASP 432 Cb -0.10 -2.41 0.43 0.00 -0.30 0.00 0.00 42.92 40.54 1xsk s ASP 432 CO 0.68 -0.29 1.76 -0.65 -0.17 0.00 0.00 175.17 176.49 1xsk h PRO 433 N 7.24 0.53 0.00 4.34 0.11 -1.89 -0.90 132.00 141.44 1xsk h PRO 433 Ca -0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1xsk h PRO 433 Cb 1.15 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1xsk h PRO 433 CO 0.80 0.35 -0.03 1.96 -0.21 0.00 0.00 178.00 180.86 1xsk h GLN 434 N 0.55 0.00 0.01 1.05 1.08 -1.93 -2.49 115.11 113.38 1xsk h GLN 434 Ca 0.40 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.27 1xsk h GLN 434 Cb 0.54 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.91 1xsk h GLN 434 CO -0.34 0.03 -2.00 1.63 -0.95 0.00 0.00 178.83 177.20 1xsk n LYS 435 N -3.85 0.66 0.20 1.46 5.02 -0.56 -3.83 118.16 117.25 1xsk n LYS 435 Ca -0.03 0.17 0.03 0.00 -2.02 0.00 0.00 58.31 56.47 1xsk n LYS 435 Cb 0.12 -1.68 0.41 0.00 -0.02 0.00 0.00 35.03 33.86 1xsk n LYS 435 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1xsk h MET 436 N 0.00 0.01 -0.41 1.97 2.86 -0.80 -2.97 114.93 115.60 1xsk h MET 436 Ca -0.40 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.31 1xsk h MET 436 Cb 2.10 -0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.67 1xsk h MET 436 CO 0.06 0.31 -0.43 1.25 1.06 0.00 0.00 176.91 179.15 1xsk h HIS 437 N 0.01 -1.25 0.15 -0.22 -0.00 -1.63 0.40 115.15 112.61 1xsk h HIS 437 Ca -0.00 0.07 -0.29 0.00 -0.00 0.00 0.00 60.37 60.15 1xsk h HIS 437 Cb 0.53 0.60 0.01 0.00 -0.00 0.00 0.00 27.41 28.55 1xsk h HIS 437 CO 0.00 -0.44 -1.33 -0.91 -0.00 0.00 0.00 177.93 175.25 1xsk h ASN 438 N -0.33 0.50 0.64 3.26 2.35 -1.79 -3.32 115.58 116.89 1xsk h ASN 438 Ca 0.14 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1xsk h ASN 438 Cb 0.58 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1xsk h ASN 438 CO -0.57 1.44 0.00 -0.74 -1.65 0.00 0.00 177.43 175.90 1xsk h HIS 439 N 0.09 0.00 -0.21 1.19 2.76 -1.31 -3.05 115.15 114.62 1xsk h HIS 439 Ca -0.17 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.02 1xsk h HIS 439 Cb 2.02 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.95 1xsk h HIS 439 CO 0.08 0.00 0.06 -0.92 -1.30 0.00 0.00 177.93 175.85 1xsk h TYR 440 N 0.00 0.11 -0.87 5.26 3.20 -1.02 -1.82 116.97 121.82 1xsk h TYR 440 Ca 0.00 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.07 1xsk h TYR 440 Cb 0.32 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.46 1xsk h TYR 440 CO 0.00 0.05 0.42 0.00 -1.64 0.00 0.00 178.16 176.99 1xsk h ALA 441 N 1.13 1.36 -0.04 1.82 0.00 -1.70 0.16 119.26 121.99 1xsk h ALA 441 Ca 0.09 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xsk h ALA 441 Cb 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xsk h ALA 441 CO -0.10 -0.22 0.00 -0.92 0.00 0.00 0.00 179.25 178.01 1xsk h TYR 442 N 0.51 0.07 -0.58 0.00 3.20 -1.54 -2.09 116.97 116.55 1xsk h TYR 442 Ca 0.51 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.32 1xsk h TYR 442 Cb 0.86 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1xsk h TYR 442 CO -0.11 0.34 0.17 0.82 -1.64 0.00 0.00 178.16 177.74 1xsk h ILE 443 N -0.21 1.23 0.54 1.81 1.08 -0.59 -0.86 117.51 120.52 1xsk h ILE 443 Ca 0.01 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.67 1xsk h ILE 443 Cb 0.31 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 1xsk h ILE 443 CO 0.00 0.30 -0.28 0.22 -0.69 0.00 0.00 178.15 177.70 1xsk h TYR 444 N 0.85 -0.74 -0.82 1.37 -0.00 -0.64 -2.44 116.97 114.55 1xsk h TYR 444 Ca 0.19 -0.01 0.02 0.00 -0.00 0.00 0.00 58.73 58.92 1xsk h TYR 444 Cb 0.26 0.25 -0.04 0.00 -0.00 0.00 0.00 36.73 37.20 1xsk h TYR 444 CO 0.02 -0.44 0.54 -0.91 -0.00 0.00 0.00 178.16 177.36 1xsk h ASN 445 N -0.75 0.92 -0.41 -2.11 2.35 -1.37 -2.59 115.58 111.62 1xsk h ASN 445 Ca -0.07 -0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1xsk h ASN 445 Cb 0.59 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.68 1xsk h ASN 445 CO 0.11 0.65 0.05 -0.08 -1.65 0.00 0.00 177.43 176.51 1xsk h GLU 446 N 1.08 0.17 -0.16 0.81 4.81 -1.17 0.17 114.58 120.29 1xsk h GLU 446 Ca 0.31 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.57 1xsk h GLU 446 Cb -0.08 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1xsk h GLU 446 CO -0.08 0.11 -0.09 1.25 -0.73 0.00 0.00 179.01 179.46 1xsk h LEU 447 N 0.17 -0.30 -0.30 1.64 6.46 -1.05 0.16 115.31 122.09 1xsk h LEU 447 Ca 0.20 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.02 1xsk h LEU 447 Cb 0.26 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1xsk h LEU 447 CO -0.29 -0.12 0.16 0.58 -0.62 0.00 0.00 178.44 178.15 1xsk h VAL 448 N -0.08 1.13 -0.45 1.05 2.07 -1.19 -2.72 116.25 116.06 1xsk h VAL 448 Ca 0.09 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.33 1xsk h VAL 448 Cb 0.22 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1xsk h VAL 448 CO -0.22 0.13 0.09 -0.25 0.02 0.00 0.00 177.57 177.35 1xsk h TRP 449 N 0.36 0.16 0.00 1.57 2.91 -0.14 -0.69 115.95 120.12 1xsk h TRP 449 Ca 0.10 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 1xsk h TRP 449 Cb 0.07 -0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1xsk h TRP 449 CO -0.03 0.01 -0.01 -0.91 -1.03 0.00 0.00 178.44 176.47 1xsk h ASN 450 N 0.23 0.00 0.01 2.65 4.21 -0.42 -0.15 115.58 122.11 1xsk h ASN 450 Ca 0.22 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.62 1xsk h ASN 450 Cb 0.27 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1xsk h ASN 450 CO -0.28 0.01 -0.42 0.58 -1.29 0.00 0.00 177.43 176.03 1xsk h VAL 451 N 0.00 1.51 -0.48 2.81 2.07 -0.84 -2.21 116.25 119.10 1xsk h VAL 451 Ca -0.00 -2.06 -0.00 0.00 0.82 0.00 0.00 66.70 65.46 1xsk h VAL 451 Cb 0.07 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1xsk h VAL 451 CO 0.00 0.58 0.29 -0.07 0.02 0.00 0.00 177.57 178.39 1xsk h LEU 452 N -0.35 0.58 -0.78 2.57 -0.00 -1.04 -0.23 115.31 116.06 1xsk h LEU 452 Ca -0.06 -0.06 0.12 0.00 -0.00 0.00 0.00 57.88 57.89 1xsk h LEU 452 Cb 1.18 -0.15 -0.08 0.00 -0.00 0.00 0.00 40.66 41.60 1xsk h LEU 452 CO 0.08 0.47 0.39 0.50 -0.00 0.00 0.00 178.44 179.88 1xsk h LYS 453 N 0.64 0.58 0.00 1.13 3.64 -1.07 -0.39 116.57 121.11 1xsk h LYS 453 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1xsk h LYS 453 Cb -0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1xsk h LYS 453 CO -0.03 0.38 -0.41 -0.25 -2.27 0.00 0.00 179.45 176.87 1xsk n ASP 454 N -4.88 0.71 0.00 4.20 8.00 -0.83 -2.91 116.55 120.84 1xsk n ASP 454 Ca 0.14 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1xsk n ASP 454 Cb 0.36 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1xsk n ASP 454 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xsk n THR 455 N -2.12 0.00 0.35 -3.53 -2.24 -0.14 -4.69 114.28 101.93 1xsk n THR 455 Ca 0.04 0.13 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 1xsk n THR 455 Cb 0.43 -1.09 0.57 0.00 -2.10 0.00 0.00 70.33 68.14 1xsk n THR 455 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xsk h VAL 456 N 0.00 0.00 0.00 2.28 -1.51 -1.35 -3.49 116.25 112.18 1xsk h VAL 456 Ca 0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1xsk h VAL 456 Cb 0.00 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 1xsk h VAL 456 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1xsk n GLY 457 N -0.02 1.99 0.17 5.19 0.00 -0.40 -4.54 105.19 107.57 1xsk n GLY 457 Ca 0.01 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 1xsk n GLY 457 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsk h GLU 458 N 0.00 0.22 -0.30 1.61 4.81 -1.75 -1.84 114.58 117.33 1xsk h GLU 458 Ca 0.00 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1xsk h GLU 458 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1xsk h GLU 458 CO 0.00 0.15 0.38 0.93 -0.73 0.00 0.00 179.01 179.74 1xsk h GLU 459 N 0.23 0.00 0.00 1.92 3.07 -1.92 -1.73 114.58 116.15 1xsk h GLU 459 Ca 0.19 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1xsk h GLU 459 Cb 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1xsk h GLU 459 CO -0.24 0.00 -1.87 0.39 -1.40 0.00 0.00 179.01 175.88 1xsk n GLU 460 N -3.60 0.65 -1.73 2.33 -0.58 -0.74 -3.96 120.64 113.02 1xsk n GLU 460 Ca 0.05 -0.16 -0.41 0.00 -0.42 0.00 0.00 57.16 56.22 1xsk n GLU 460 Cb 0.52 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1xsk n GLU 460 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsk n ALA 461 N -2.25 1.76 -3.57 0.62 0.00 -0.65 -4.68 120.51 111.74 1xsk n ALA 461 Ca -0.04 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.62 1xsk n ALA 461 Cb 0.57 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 1xsk n ALA 461 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsk s VAL 462 N -1.14 0.00 0.32 0.00 0.11 -1.26 -4.55 120.40 113.88 1xsk s VAL 462 Ca 0.57 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.68 1xsk s VAL 462 Cb -0.51 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.31 1xsk s VAL 462 CO 0.61 0.00 0.24 -0.76 -3.33 0.00 0.00 175.10 171.86 1xsk s LEU 463 N -1.28 1.71 -0.44 2.54 1.43 -1.22 -3.93 118.68 117.49 1xsk s LEU 463 Ca -0.00 -1.70 0.03 0.00 -1.03 0.00 0.00 54.13 51.43 1xsk s LEU 463 Cb -0.01 0.44 0.16 0.00 0.03 0.00 0.00 46.19 46.81 1xsk s LEU 463 CO -0.00 -1.01 0.31 0.12 0.23 0.00 0.00 176.35 175.99 1xsk s PHE 464 N -3.50 1.47 0.01 0.29 5.36 -0.64 -4.52 117.98 116.45 1xsk s PHE 464 Ca 0.38 -2.30 -0.13 0.00 -0.96 0.00 0.00 56.93 53.92 1xsk s PHE 464 Cb 0.03 -1.31 -0.06 0.00 -0.34 0.00 0.00 43.02 41.34 1xsk s PHE 464 CO 0.24 -0.79 0.39 0.00 -1.46 0.00 0.00 175.22 173.60 1xsk s ALA 465 N 0.17 3.72 -0.18 11.12 0.00 -1.15 -1.35 121.76 134.08 1xsk s ALA 465 Ca 0.25 -0.28 0.18 0.00 0.00 0.00 0.00 51.96 52.11 1xsk s ALA 465 Cb -0.09 -2.33 -0.26 0.00 0.00 0.00 0.00 23.12 20.44 1xsk s ALA 465 CO -0.11 0.51 0.11 -2.13 0.00 0.00 0.00 175.76 174.14 1xsk n ARG 466 N 1.61 0.71 -4.26 0.00 0.63 -0.95 -2.33 116.66 112.07 1xsk n ARG 466 Ca -0.13 -0.03 -0.27 0.00 -0.92 0.00 0.00 57.85 56.50 1xsk n ARG 466 Cb 0.52 -1.52 -0.09 0.00 0.45 0.00 0.00 32.46 31.83 1xsk n ARG 466 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1xsk s SER 467 N -5.38 4.40 0.14 6.15 1.04 -1.26 -4.42 113.70 114.37 1xsk s SER 467 Ca -0.10 -0.49 -0.18 0.00 0.48 0.00 0.00 55.95 55.66 1xsk s SER 467 Cb 0.07 -0.81 0.05 0.00 0.10 0.00 0.00 66.02 65.42 1xsk s SER 467 CO 0.83 0.12 0.47 0.00 0.98 0.00 0.00 173.24 175.64 1xsk s ALA 468 N -1.60 -1.15 0.28 5.32 0.00 -1.22 -4.88 121.76 118.51 1xsk s ALA 468 Ca 0.25 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1xsk s ALA 468 Cb -0.09 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1xsk s ALA 468 CO 0.16 -0.69 0.26 0.45 0.00 0.00 0.00 175.76 175.94 1xsk s SER 469 N -2.79 0.96 0.11 0.00 0.15 -1.26 -3.55 113.70 107.32 1xsk s SER 469 Ca 0.02 -1.56 -0.33 0.00 0.70 0.00 0.00 55.95 54.78 1xsk s SER 469 Cb 0.01 0.51 -0.13 0.00 -1.71 0.00 0.00 66.02 64.70 1xsk s SER 469 CO -0.12 -1.02 1.69 0.52 1.20 0.00 0.00 173.24 175.51 1xsk n VAL 470 N -0.48 0.18 0.00 4.45 0.31 -1.26 -1.22 118.33 120.30 1xsk n VAL 470 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1xsk n VAL 470 Cb 0.63 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1xsk n VAL 470 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsk n GLY 471 N 3.78 0.90 0.02 2.92 0.00 -1.26 -4.57 105.19 106.98 1xsk n GLY 471 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1xsk n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsk n ALA 472 N -1.79 1.83 0.30 4.61 0.00 -0.36 -2.69 120.51 122.41 1xsk n ALA 472 Ca 0.00 -0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.58 1xsk n ALA 472 Cb 0.00 -1.32 0.85 0.00 0.00 0.00 0.00 19.45 18.99 1xsk n ALA 472 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1xsk h GLN 473 N 0.00 0.00 0.00 0.00 -0.00 -1.86 -2.44 115.11 110.80 1xsk h GLN 473 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xsk h GLN 473 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1xsk h GLN 473 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 178.83 179.70 1xsk h LYS 474 N 0.00 0.00 -2.40 0.06 1.57 -1.69 -3.24 116.57 110.86 1xsk h LYS 474 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1xsk h LYS 474 Cb 0.25 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.18 1xsk h LYS 474 CO 0.00 0.00 -0.19 1.19 -0.57 0.00 0.00 179.45 179.88 1xsk n PHE 475 N -2.76 3.25 -0.68 -1.35 3.72 -0.92 -3.69 117.46 115.03 1xsk n PHE 475 Ca 0.00 -3.69 -0.21 0.00 -0.05 0.00 0.00 57.45 53.50 1xsk n PHE 475 Cb 0.22 -0.76 0.01 0.00 -0.94 0.00 0.00 39.48 38.00 1xsk n PHE 475 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1xsk n PRO 476 N 0.96 0.00 -2.14 -1.08 -0.04 -1.22 -4.73 135.00 126.74 1xsk n PRO 476 Ca 0.29 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.74 1xsk n PRO 476 Cb 0.39 -0.55 -0.01 0.00 -0.04 0.00 0.00 33.50 33.29 1xsk n PRO 476 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1xsk n VAL 477 N -0.84-11.24 -4.39 0.52 3.14 -1.25 -3.40 118.33 100.87 1xsk n VAL 477 Ca 0.04 2.51 -0.27 0.00 -2.96 0.00 0.00 64.34 63.67 1xsk n VAL 477 Cb 0.26 -5.61 -0.12 0.00 -1.06 0.00 0.00 33.84 27.31 1xsk n VAL 477 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1xsk s HIS 478 N -0.49 2.20 0.11 1.45 3.76 -1.15 -2.93 115.29 118.25 1xsk s HIS 478 Ca -0.05 -0.38 0.09 0.00 -0.15 0.00 0.00 55.06 54.57 1xsk s HIS 478 Cb 0.00 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.51 1xsk s HIS 478 CO 0.12 0.39 -0.23 1.67 -0.85 0.00 0.00 174.74 175.83 1xsk s TRP 479 N -1.39 1.99 -1.86 1.40 -2.14 -0.98 -0.74 118.94 115.20 1xsk s TRP 479 Ca 0.16 -0.40 0.00 0.00 2.66 0.00 0.00 56.10 58.52 1xsk s TRP 479 Cb -0.09 -1.09 0.00 0.00 -3.10 0.00 0.00 33.47 29.20 1xsk s TRP 479 CO 0.07 0.25 0.01 0.41 -2.66 0.00 0.00 176.95 175.04 1xsk n GLY 480 N 1.04 -0.01 7.00 3.67 0.00 0.36 -4.69 105.19 112.56 1xsk n GLY 480 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1xsk n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsk n GLY 481 N -0.35 0.12 3.52 -0.02 0.00 -1.26 -4.66 105.19 102.54 1xsk n GLY 481 Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1xsk n GLY 481 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsk s ASP 482 N -4.00 6.43 0.30 1.61 1.01 -1.26 -4.70 116.67 116.05 1xsk s ASP 482 Ca 0.00 -1.35 0.07 0.00 0.71 0.00 0.00 52.55 51.98 1xsk s ASP 482 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1xsk s ASP 482 CO 0.00 -1.46 0.29 0.00 0.21 0.00 0.00 175.17 174.21 1xsk s TYR 484 N -2.20 3.00 -1.35 0.00 4.12 -1.26 -0.99 117.35 118.67 1xsk s TYR 484 Ca 0.38 -0.08 -0.07 0.00 0.02 0.00 0.00 57.07 57.32 1xsk s TYR 484 Cb -0.07 -2.39 0.11 0.00 -1.52 0.00 0.00 41.96 38.09 1xsk s TYR 484 CO 0.27 -0.45 2.29 0.00 0.02 0.00 0.00 175.55 177.68 1xsk n ALA 485 N -2.01 6.42 -3.04 3.71 0.00 -0.73 -4.57 120.51 120.29 1xsk n ALA 485 Ca 0.04 -4.09 -0.10 0.00 0.00 0.00 0.00 53.44 49.30 1xsk n ALA 485 Cb 0.59 -2.93 -0.05 0.00 0.00 0.00 0.00 19.45 17.06 1xsk n ALA 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsk s ASN 486 N 0.80 -0.19 0.10 0.00 2.20 -1.26 -4.49 114.94 112.10 1xsk s ASN 486 Ca 0.51 -0.47 -0.26 0.00 -0.94 0.00 0.00 52.86 51.71 1xsk s ASN 486 Cb 0.16 0.50 -0.12 0.00 -2.00 0.00 0.00 41.25 39.78 1xsk s ASN 486 CO -0.06 -0.92 1.68 1.88 -2.94 0.00 0.00 177.10 176.74 1xsk h TYR 487 N 2.35 -0.38 -0.75 1.54 0.05 -1.90 -1.53 116.97 116.35 1xsk h TYR 487 Ca -0.32 0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.64 1xsk h TYR 487 Cb 1.25 0.15 -0.13 0.00 1.01 0.00 0.00 36.73 39.01 1xsk h TYR 487 CO 0.35 -0.22 0.03 0.93 -1.05 0.00 0.00 178.16 178.19 1xsk h GLU 488 N -0.32 0.11 0.00 4.88 3.07 -1.96 0.67 114.58 121.03 1xsk h GLU 488 Ca 0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1xsk h GLU 488 Cb 0.30 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1xsk h GLU 488 CO -0.04 0.08 -0.19 1.03 -1.40 0.00 0.00 179.01 178.48 1xsk h SER 489 N 0.12 0.00 -0.23 1.42 0.87 -1.79 -0.62 113.55 113.33 1xsk h SER 489 Ca 0.42 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.82 1xsk h SER 489 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1xsk h SER 489 CO -0.65 0.19 -0.48 -0.03 -0.53 0.00 0.00 176.83 175.33 1xsk h MET 490 N 0.00 0.72 -0.04 2.24 -1.53 0.12 -2.12 114.93 114.33 1xsk h MET 490 Ca -0.00 -0.48 -0.00 0.00 -3.44 0.00 0.00 59.70 55.78 1xsk h MET 490 Cb 0.68 0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.79 1xsk h MET 490 CO 0.02 1.10 0.01 0.00 0.14 0.00 0.00 176.91 178.18 1xsk h ALA 491 N 0.62 0.05 -0.53 0.39 0.00 -0.41 -2.14 119.26 117.25 1xsk h ALA 491 Ca 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1xsk h ALA 491 Cb 1.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1xsk h ALA 491 CO 0.11 -0.32 0.36 1.05 0.00 0.00 0.00 179.25 180.44 1xsk h GLU 492 N -0.16 0.27 -0.25 0.00 4.11 -1.11 -0.57 114.58 116.87 1xsk h GLU 492 Ca 0.01 -0.02 -0.20 0.00 0.07 0.00 0.00 59.36 59.23 1xsk h GLU 492 Cb 0.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xsk h GLU 492 CO 0.00 0.18 -0.62 0.77 0.07 0.00 0.00 179.01 179.41 1xsk h SER 493 N 0.28 0.97 -0.36 3.06 0.02 -1.05 -2.30 113.55 114.17 1xsk h SER 493 Ca 0.24 -0.56 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1xsk h SER 493 Cb 0.59 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1xsk h SER 493 CO -0.05 1.36 0.22 0.25 -1.14 0.00 0.00 176.83 177.46 1xsk h LEU 494 N 0.63 0.43 -0.74 5.07 5.85 -0.49 -0.65 115.31 125.42 1xsk h LEU 494 Ca -0.01 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.78 1xsk h LEU 494 Cb 1.24 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.07 1xsk h LEU 494 CO 0.13 0.36 0.32 0.03 -0.34 0.00 0.00 178.44 178.94 1xsk h ARG 495 N 0.47 0.48 -0.62 1.25 3.08 -1.17 0.10 114.38 117.97 1xsk h ARG 495 Ca 0.13 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1xsk h ARG 495 Cb 0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1xsk h ARG 495 CO -0.02 0.32 0.15 0.78 -1.07 0.00 0.00 179.97 180.13 1xsk h GLY 496 N 0.50 1.03 1.42 0.04 0.00 -0.80 -0.84 103.07 104.42 1xsk h GLY 496 Ca 0.39 -0.61 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 1xsk h GLY 496 CO -0.36 0.57 -0.46 -1.33 0.00 0.00 0.00 176.54 174.97 1xsk h GLY 497 N 1.03 0.68 0.91 4.60 0.00 0.49 -1.99 103.07 108.80 1xsk h GLY 497 Ca 0.20 -0.72 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 1xsk h GLY 497 CO -0.00 0.65 -0.12 1.41 0.00 0.00 0.00 176.54 178.48 1xsk h LEU 498 N 0.50 0.64 -0.88 3.11 3.38 -0.70 -2.91 115.31 118.46 1xsk h LEU 498 Ca 0.03 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.63 1xsk h LEU 498 Cb 0.99 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1xsk h LEU 498 CO 0.09 0.89 0.58 0.28 0.09 0.00 0.00 178.44 180.37 1xsk h SER 499 N 0.39 0.99 0.30 -0.43 0.02 -1.04 -1.96 113.55 111.81 1xsk h SER 499 Ca 0.07 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 1xsk h SER 499 Cb 0.64 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1xsk h SER 499 CO 0.04 0.71 -0.45 -0.29 -1.14 0.00 0.00 176.83 175.70 1xsk h ILE 500 N 1.17 1.32 -0.30 3.27 2.10 -1.35 -2.22 117.51 121.51 1xsk h ILE 500 Ca 0.33 -1.59 -0.11 0.00 1.08 0.00 0.00 64.86 64.57 1xsk h ILE 500 Cb -0.09 1.76 -0.01 0.00 -1.09 0.00 0.00 36.82 37.38 1xsk h ILE 500 CO -0.09 0.47 -0.26 1.23 -1.08 0.00 0.00 178.15 178.43 1xsk h GLY 501 N 1.29 0.63 0.05 8.18 0.00 -1.23 -0.86 103.07 111.13 1xsk h GLY 501 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1xsk h GLY 501 CO 0.07 0.49 0.00 1.04 0.00 0.00 0.00 176.54 178.13 1xsk n LEU 502 N -4.11 0.00 -0.13 3.11 4.77 -0.79 -3.02 117.00 116.84 1xsk n LEU 502 Ca -0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1xsk n LEU 502 Cb 0.43 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 1xsk n LEU 502 CO 0.43 0.00 0.49 -1.20 -1.33 0.00 0.00 177.39 175.78 1xsk n SER 503 N -0.52 1.77 0.00 -1.43 7.64 -0.37 -4.49 113.62 116.22 1xsk n SER 503 Ca 0.01 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.28 1xsk n SER 503 Cb 0.01 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1xsk n SER 503 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xsk n GLY 504 N -0.96 0.74 3.59 0.23 0.00 -1.17 -4.93 105.19 102.70 1xsk n GLY 504 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1xsk n GLY 504 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xsk s PHE 505 N -2.28 3.23 -0.32 1.61 0.08 -0.97 -4.74 117.98 114.59 1xsk s PHE 505 Ca 0.00 0.02 0.22 0.00 0.12 0.00 0.00 56.93 57.29 1xsk s PHE 505 Cb 0.00 -2.24 0.15 0.00 -0.57 0.00 0.00 43.02 40.35 1xsk s PHE 505 CO 0.00 -0.06 1.30 0.78 -0.10 0.00 0.00 175.22 177.14 1xsk h GLY 506 N 7.69 0.00 -5.83 4.36 0.00 -1.87 -3.35 103.07 104.07 1xsk h GLY 506 Ca -0.37 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.49 1xsk h GLY 506 CO 0.62 0.00 -0.80 -1.36 0.00 0.00 0.00 176.54 175.01 1xsk s PHE 507 N -3.27 1.17 0.02 5.60 0.08 -1.26 -2.32 117.98 118.00 1xsk s PHE 507 Ca 0.03 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1xsk s PHE 507 Cb 0.07 -0.88 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 1xsk s PHE 507 CO 0.74 -0.20 -0.03 -0.46 -0.10 0.00 0.00 175.22 175.17 1xsk s TRP 508 N 0.56 0.24 0.19 0.36 -0.00 -1.26 -2.91 118.94 116.12 1xsk s TRP 508 Ca -0.10 -0.46 -0.01 0.00 -0.00 0.00 0.00 56.10 55.52 1xsk s TRP 508 Cb -0.13 -0.17 -0.04 0.00 -0.00 0.00 0.00 33.47 33.12 1xsk s TRP 508 CO 0.02 -0.16 0.13 0.45 -0.00 0.00 0.00 176.95 177.39 1xsk s SER 509 N -1.27 0.17 0.26 5.86 0.15 0.08 -3.17 113.70 115.78 1xsk s SER 509 Ca -0.14 -1.34 -0.11 0.00 0.70 0.00 0.00 55.95 55.07 1xsk s SER 509 Cb -0.09 0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1xsk s SER 509 CO -0.01 -0.83 0.47 -1.38 1.20 0.00 0.00 173.24 172.69 1xsk s HIS 510 N -4.13 0.49 -0.51 3.44 -3.43 -1.26 -0.49 115.29 109.40 1xsk s HIS 510 Ca 0.36 -0.84 -0.24 0.00 -0.80 0.00 0.00 55.06 53.53 1xsk s HIS 510 Cb 0.07 0.14 0.04 0.00 -1.43 0.00 0.00 32.58 31.39 1xsk s HIS 510 CO 0.10 -1.02 0.91 -0.51 -2.00 0.00 0.00 174.74 172.23 1xsk s ASP 511 N -3.06 6.39 0.11 7.38 -0.00 -1.26 -4.00 116.67 122.24 1xsk s ASP 511 Ca 0.24 -0.20 -0.31 0.00 -0.00 0.00 0.00 52.55 52.28 1xsk s ASP 511 Cb -0.00 -2.43 -0.09 0.00 -0.00 0.00 0.00 42.92 40.39 1xsk s ASP 511 CO 0.11 -1.13 1.68 -0.63 -0.00 0.00 0.00 175.17 175.19 1xsk s ILE 512 N 3.79 2.75 0.00 0.77 1.01 -0.59 -1.32 121.20 127.61 1xsk s ILE 512 Ca 0.32 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1xsk s ILE 512 Cb -0.12 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1xsk s ILE 512 CO 0.22 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1xsk n GLY 513 N 3.99 2.45 0.00 6.18 0.00 -1.26 -4.29 105.19 112.26 1xsk n GLY 513 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1xsk n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsk n GLY 514 N -2.00 0.89 0.00 -0.02 0.00 -0.44 -4.26 105.19 99.36 1xsk n GLY 514 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1xsk n GLY 514 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xsk n PHE 515 N 1.18 0.00 -2.29 1.61 -0.00 -0.16 -4.63 117.46 113.17 1xsk n PHE 515 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.06 1xsk n PHE 515 Cb 0.00 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.48 39.23 1xsk n PHE 515 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1xsk s GLU 516 N -0.68 4.15 0.25 -4.13 0.41 -0.33 -1.99 118.70 116.38 1xsk s GLU 516 Ca 0.00 1.89 0.00 0.00 -0.41 0.00 0.00 54.97 56.45 1xsk s GLU 516 Cb 0.00 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.57 1xsk s GLU 516 CO 0.00 -0.25 0.00 0.09 -0.49 0.00 0.00 175.26 174.61 1xsk n ASN 517 N 0.28 -3.97 -4.40 -0.19 3.02 -1.26 -1.77 115.26 106.96 1xsk n ASN 517 Ca 0.03 0.54 -0.35 0.00 -0.03 0.00 0.00 54.58 54.77 1xsk n ASN 517 Cb 0.46 -2.24 -0.13 0.00 -0.61 0.00 0.00 39.78 37.26 1xsk n ASN 517 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xsk s THR 518 N -2.88 3.89 0.30 3.41 2.01 -1.26 -4.61 115.64 116.50 1xsk s THR 518 Ca 0.00 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 1xsk s THR 518 Cb 0.00 -2.78 -0.09 0.00 0.01 0.00 0.00 72.50 69.63 1xsk s THR 518 CO 0.00 0.40 1.10 0.00 -0.69 0.00 0.00 174.62 175.43 1xsk s ALA 519 N 1.36 3.36 1.04 7.40 0.00 -1.26 -4.95 121.76 128.72 1xsk s ALA 519 Ca 0.05 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1xsk s ALA 519 Cb -0.15 -3.32 0.21 0.00 0.00 0.00 0.00 23.12 19.86 1xsk s ALA 519 CO 0.01 -0.19 1.07 -2.30 0.00 0.00 0.00 175.76 174.35 1xsk n PRO 520 N 0.99 -1.41 -0.11 0.00 -0.02 -1.26 -4.68 135.00 128.52 1xsk n PRO 520 Ca -0.00 -0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.07 1xsk n PRO 520 Cb 0.45 -2.27 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1xsk n PRO 520 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsk h ALA 521 N -2.27 0.26 -0.59 3.55 0.00 -1.95 -2.29 119.26 115.96 1xsk h ALA 521 Ca -0.52 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1xsk h ALA 521 Cb 1.30 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1xsk h ALA 521 CO 0.45 -0.45 0.24 1.12 0.00 0.00 0.00 179.25 180.60 1xsk h HIS 522 N 0.01 0.86 -0.28 0.00 2.07 -1.98 -1.99 115.15 113.83 1xsk h HIS 522 Ca 0.18 -0.05 -0.02 0.00 -2.85 0.00 0.00 60.37 57.64 1xsk h HIS 522 Cb 0.28 -0.26 -0.01 0.00 2.57 0.00 0.00 27.41 29.98 1xsk h HIS 522 CO -0.34 0.66 0.09 0.28 -3.07 0.00 0.00 177.93 175.56 1xsk h VAL 523 N 0.84 1.19 -0.46 6.12 2.07 -1.81 -2.19 116.25 122.01 1xsk h VAL 523 Ca 0.20 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 67.18 1xsk h VAL 523 Cb 0.16 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1xsk h VAL 523 CO -0.02 0.20 0.13 0.22 0.02 0.00 0.00 177.57 178.12 1xsk h TYR 524 N 0.30 0.22 0.32 1.57 3.20 -0.98 -0.96 116.97 120.64 1xsk h TYR 524 Ca 0.09 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1xsk h TYR 524 Cb 0.23 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1xsk h TYR 524 CO 0.00 0.05 -0.16 0.87 -1.64 0.00 0.00 178.16 177.28 1xsk h LYS 525 N 0.28 -0.42 -0.46 1.82 6.56 -1.22 -1.86 116.57 121.26 1xsk h LYS 525 Ca 0.22 0.03 0.09 0.00 -1.06 0.00 0.00 60.65 59.93 1xsk h LYS 525 Cb 0.26 0.10 -0.08 0.00 -0.57 0.00 0.00 32.23 31.94 1xsk h LYS 525 CO -0.26 -0.22 -0.00 0.00 -2.06 0.00 0.00 179.45 176.90 1xsk h ARG 526 N -0.52 0.11 0.00 3.15 2.47 -1.17 0.82 114.38 119.23 1xsk h ARG 526 Ca -0.04 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1xsk h ARG 526 Cb 0.39 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1xsk h ARG 526 CO 0.07 0.07 -0.03 2.35 0.56 0.00 0.00 179.97 182.99 1xsk h TRP 527 N 0.11 0.00 -0.05 3.04 2.91 -1.07 -2.81 115.95 118.08 1xsk h TRP 527 Ca 0.23 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.24 1xsk h TRP 527 Cb 0.34 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.99 1xsk h TRP 527 CO -0.30 0.03 -0.01 0.00 -1.03 0.00 0.00 178.44 177.13 1xsk h ALA 529 N 0.66 -0.09 -0.01 0.00 0.00 -1.37 0.50 119.26 118.94 1xsk h ALA 529 Ca 0.01 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1xsk h ALA 529 Cb 0.39 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1xsk h ALA 529 CO 0.00 -0.59 -0.20 0.35 0.00 0.00 0.00 179.25 178.82 1xsk h PHE 530 N -0.17 -0.52 -0.91 0.00 3.57 -1.53 -0.83 116.94 116.56 1xsk h PHE 530 Ca 0.05 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1xsk h PHE 530 Cb 0.24 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 1xsk h PHE 530 CO -0.19 -0.28 0.56 0.78 -2.23 0.00 0.00 178.31 176.95 1xsk h GLY 531 N -0.31 1.43 2.00 2.40 0.00 -0.21 -1.09 103.07 107.29 1xsk h GLY 531 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1xsk h GLY 531 CO -0.19 0.20 0.00 1.41 0.00 0.00 0.00 176.54 177.96 1xsk h LEU 532 N 0.95 0.00 -3.61 3.11 -0.00 -0.62 -3.05 115.31 112.09 1xsk h LEU 532 Ca 0.43 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.93 1xsk h LEU 532 Cb 0.32 0.00 -0.22 0.00 -0.00 0.00 0.00 40.66 40.76 1xsk h LEU 532 CO -0.22 0.00 0.48 0.18 -0.00 0.00 0.00 178.44 178.87 1xsk n LEU 533 N -2.74 6.00 -4.53 1.67 7.99 -0.34 -4.81 117.00 120.23 1xsk n LEU 533 Ca 0.04 -3.17 -0.25 0.00 -0.01 0.00 0.00 56.01 52.62 1xsk n LEU 533 Cb 0.44 -0.77 -0.10 0.00 -0.11 0.00 0.00 43.42 42.88 1xsk n LEU 533 CO 0.31 0.91 -0.41 -0.44 -1.51 0.00 0.00 177.39 176.24 1xsk s SER 534 N -0.90 3.81 0.34 -1.43 0.01 -1.12 -4.98 113.70 109.43 1xsk s SER 534 Ca 0.48 -1.03 0.08 0.00 1.31 0.00 0.00 55.95 56.78 1xsk s SER 534 Cb 0.40 -0.40 0.77 0.00 0.21 0.00 0.00 66.02 67.00 1xsk s SER 534 CO 0.10 -0.07 1.85 0.77 0.41 0.00 0.00 173.24 176.30 1xsk h SER 535 N 2.10 0.71 -3.55 2.44 4.64 -1.88 -3.40 113.55 114.59 1xsk h SER 535 Ca -0.41 0.05 -0.32 0.00 -0.47 0.00 0.00 61.79 60.63 1xsk h SER 535 Cb 1.25 -0.09 -0.33 0.00 -0.31 0.00 0.00 62.40 62.92 1xsk h SER 535 CO 0.64 0.35 -0.74 -1.00 -0.87 0.00 0.00 176.83 175.21 1xsk s HIS 536 N -5.73 0.23 -0.14 4.77 3.76 -1.19 -4.76 115.29 112.24 1xsk s HIS 536 Ca -0.10 0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 1xsk s HIS 536 Cb 0.22 -0.32 -0.01 0.00 1.11 0.00 0.00 32.58 33.58 1xsk s HIS 536 CO 0.79 -0.10 -0.15 -1.12 -0.85 0.00 0.00 174.74 173.31 1xsk s SER 537 N 0.84 3.74 -0.01 1.40 0.01 -1.26 -4.22 113.70 114.20 1xsk s SER 537 Ca -0.08 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 1xsk s SER 537 Cb -0.11 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.55 1xsk s SER 537 CO -0.02 0.12 0.02 -0.60 0.41 0.00 0.00 173.24 173.18 1xsk s ARG 538 N 0.58 0.04 -0.42 12.44 3.52 -1.26 -1.04 118.95 132.82 1xsk s ARG 538 Ca -0.09 0.02 -0.14 0.00 -0.13 0.00 0.00 55.73 55.39 1xsk s ARG 538 Cb -0.16 0.02 0.04 0.00 -1.56 0.00 0.00 34.95 33.29 1xsk s ARG 538 CO 0.03 -0.01 0.30 -0.51 -0.81 0.00 0.00 175.30 174.31 1xsk s LEU 539 N -0.03 5.15 0.01 -0.88 1.43 0.33 -1.54 118.68 123.15 1xsk s LEU 539 Ca -0.00 -1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1xsk s LEU 539 Cb -0.00 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1xsk s LEU 539 CO 0.00 -0.49 -0.01 -2.28 0.23 0.00 0.00 176.35 173.80 1xsk s HIS 540 N 1.62 0.15 0.16 0.29 2.46 -1.26 -0.96 115.29 117.74 1xsk s HIS 540 Ca 0.04 -0.30 -0.02 0.00 0.47 0.00 0.00 55.06 55.25 1xsk s HIS 540 Cb -0.21 -0.11 -0.04 0.00 -0.13 0.00 0.00 32.58 32.10 1xsk s HIS 540 CO 0.08 -0.11 0.10 0.20 -2.47 0.00 0.00 174.74 172.54 1xsk s GLY 541 N -0.84 1.07 -0.12 1.59 0.00 -1.26 -4.40 107.32 103.36 1xsk s GLY 541 Ca -0.09 -1.48 -0.09 0.00 0.00 0.00 0.00 44.72 43.05 1xsk s GLY 541 CO -0.01 -1.32 -0.18 -1.26 0.00 0.00 0.00 173.10 170.33 1xsk n SER 542 N -0.16 1.50 -0.64 1.64 2.88 -0.84 0.07 113.62 118.07 1xsk n SER 542 Ca -0.03 0.49 0.06 0.00 -1.33 0.00 0.00 58.87 58.05 1xsk n SER 542 Cb 0.64 -0.77 0.14 0.00 -0.75 0.00 0.00 64.21 63.47 1xsk n SER 542 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xsk n LYS 543 N -4.16 2.54 -3.84 -1.46 5.02 -1.26 -0.32 118.16 114.68 1xsk n LYS 543 Ca -0.07 -1.95 -0.09 0.00 -2.02 0.00 0.00 58.31 54.18 1xsk n LYS 543 Cb 0.27 -1.27 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1xsk n LYS 543 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xsk s SER 544 N -1.00 -0.13 0.44 4.39 1.04 -1.26 -4.76 113.70 112.43 1xsk s SER 544 Ca 0.23 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 55.84 1xsk s SER 544 Cb 0.12 0.52 -0.09 0.00 0.10 0.00 0.00 66.02 66.68 1xsk s SER 544 CO 0.16 -0.99 0.90 -0.31 0.98 0.00 0.00 173.24 173.98 1xsk s TYR 545 N -3.92 3.41 -0.31 5.02 2.02 -1.26 -4.26 117.35 118.05 1xsk s TYR 545 Ca 0.13 1.38 0.10 0.00 -0.37 0.00 0.00 57.07 58.31 1xsk s TYR 545 Cb 0.01 -2.70 0.59 0.00 -0.40 0.00 0.00 41.96 39.45 1xsk s TYR 545 CO -0.01 -0.18 1.61 0.54 -1.57 0.00 0.00 175.55 175.93 1xsk n ARG 546 N -1.10 2.46 -2.56 -0.62 5.12 -1.26 -4.96 116.66 113.74 1xsk n ARG 546 Ca 0.05 -3.07 -0.41 0.00 -1.93 0.00 0.00 57.85 52.49 1xsk n ARG 546 Cb 0.54 -1.96 -0.04 0.00 -1.16 0.00 0.00 32.46 29.83 1xsk n ARG 546 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1xsk s VAL 547 N -3.14 3.91 0.21 1.55 -7.23 -1.26 -4.91 120.40 109.54 1xsk s VAL 547 Ca 0.48 1.70 -0.18 0.00 -1.81 0.00 0.00 61.98 62.18 1xsk s VAL 547 Cb 0.41 -4.09 0.20 0.00 0.56 0.00 0.00 36.38 33.47 1xsk s VAL 547 CO 0.06 0.32 1.58 -0.65 -0.31 0.00 0.00 175.10 176.10 1xsk h PRO 548 N 4.90 -0.09 0.00 4.82 0.11 -1.93 0.24 132.00 140.06 1xsk h PRO 548 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xsk h PRO 548 Cb 1.21 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xsk h PRO 548 CO 0.71 -0.06 0.00 -2.67 -0.21 0.00 0.00 178.00 175.77 1xsk n TRP 549 N -5.46 0.00 0.85 0.65 2.14 -1.26 -1.56 117.44 112.80 1xsk n TRP 549 Ca 0.07 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.78 1xsk n TRP 549 Cb 0.37 -0.18 0.53 0.00 -0.81 0.00 0.00 31.31 31.22 1xsk n TRP 549 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xsk n ALA 550 N -1.18 2.32 -0.04 -1.67 0.00 0.86 -4.22 120.51 116.58 1xsk n ALA 550 Ca 0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 1xsk n ALA 550 Cb 0.04 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1xsk n ALA 550 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xsk n TYR 551 N -1.81 0.00 -3.97 0.00 4.02 -0.60 -5.05 117.16 109.74 1xsk n TYR 551 Ca 0.06 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.97 1xsk n TYR 551 Cb 0.38 -0.35 0.01 0.00 -0.02 0.00 0.00 39.34 39.36 1xsk n TYR 551 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1xsk n ASP 552 N -3.68 -1.27 0.06 7.72 5.68 -1.19 -4.88 116.55 119.00 1xsk n ASP 552 Ca -0.17 -1.39 -0.21 0.00 -0.50 0.00 0.00 54.79 52.52 1xsk n ASP 552 Cb 0.50 1.99 -0.12 0.00 -1.14 0.00 0.00 41.12 42.35 1xsk n ASP 552 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1xsk h ASP 553 N 1.89 0.81 -0.89 -1.12 3.32 -1.90 -3.20 116.42 115.33 1xsk h ASP 553 Ca -0.22 -0.80 0.16 0.00 0.02 0.00 0.00 57.03 56.19 1xsk h ASP 553 Cb 1.12 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.35 1xsk h ASP 553 CO 0.31 1.52 0.57 -0.08 -1.72 0.00 0.00 179.24 179.85 1xsk h GLU 554 N 0.20 0.61 -0.75 3.56 4.81 -1.96 0.14 114.58 121.18 1xsk h GLU 554 Ca -0.16 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1xsk h GLU 554 Cb 1.76 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.95 1xsk h GLU 554 CO 0.21 0.40 0.49 0.77 -0.73 0.00 0.00 179.01 180.15 1xsk h SER 555 N 0.62 0.57 -0.15 1.04 0.02 -1.84 -0.02 113.55 113.80 1xsk h SER 555 Ca 0.45 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.29 1xsk h SER 555 Cb 0.82 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1xsk h SER 555 CO -0.20 0.34 -0.34 0.00 -1.14 0.00 0.00 176.83 175.48 1xsk h ASP 557 N 0.55 0.96 0.37 0.00 3.32 -0.90 -0.92 116.42 119.79 1xsk h ASP 557 Ca 0.06 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1xsk h ASP 557 Cb 0.85 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1xsk h ASP 557 CO 0.07 0.97 -0.18 0.58 -1.72 0.00 0.00 179.24 178.97 1xsk h VAL 558 N 0.90 0.65 -0.72 -1.35 2.07 -1.00 0.70 116.25 117.49 1xsk h VAL 558 Ca 0.18 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1xsk h VAL 558 Cb 0.42 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1xsk h VAL 558 CO 0.01 0.06 0.47 0.58 0.02 0.00 0.00 177.57 178.72 1xsk h VAL 559 N -0.67 1.01 0.01 2.57 2.07 -1.04 -2.03 116.25 118.18 1xsk h VAL 559 Ca -0.05 -0.25 -0.22 0.00 0.82 0.00 0.00 66.70 66.99 1xsk h VAL 559 Cb 0.48 0.21 0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1xsk h VAL 559 CO 0.08 0.14 -0.87 -0.09 0.02 0.00 0.00 177.57 176.85 1xsk h ARG 560 N 0.74 0.56 0.29 1.57 2.43 -1.06 -1.92 114.38 116.99 1xsk h ARG 560 Ca 0.31 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1xsk h ARG 560 Cb 0.27 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1xsk h ARG 560 CO -0.10 1.24 -0.34 0.35 -1.51 0.00 0.00 179.97 179.60 1xsk h PHE 561 N 0.15 -0.92 -0.02 2.20 3.04 -0.43 -1.67 116.94 119.29 1xsk h PHE 561 Ca -0.11 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.70 1xsk h PHE 561 Cb 1.56 0.36 -0.02 0.00 2.56 0.00 0.00 35.95 40.41 1xsk h PHE 561 CO 0.13 -0.47 -0.65 0.74 -2.02 0.00 0.00 178.31 176.04 1xsk h PHE 562 N -0.68 0.10 -0.50 0.41 0.04 -1.49 -1.72 116.94 113.10 1xsk h PHE 562 Ca -0.01 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 1xsk h PHE 562 Cb 0.63 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 1xsk h PHE 562 CO -0.22 0.70 -0.05 1.15 -0.60 0.00 0.00 178.31 179.29 1xsk h THR 563 N 0.05 1.27 -0.31 -1.55 2.02 -1.26 -0.79 112.91 112.34 1xsk h THR 563 Ca -0.01 -1.16 -0.06 0.00 0.77 0.00 0.00 66.41 65.95 1xsk h THR 563 Cb 1.15 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1xsk h THR 563 CO 0.09 0.40 -0.04 1.56 0.37 0.00 0.00 175.52 177.91 1xsk h GLN 564 N 0.77 0.57 -0.22 6.66 4.20 -1.26 -2.70 115.11 123.13 1xsk h GLN 564 Ca 0.13 -0.20 0.05 0.00 0.06 0.00 0.00 58.65 58.70 1xsk h GLN 564 Cb 0.59 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.27 1xsk h GLN 564 CO 0.04 0.74 -0.14 1.25 -0.67 0.00 0.00 178.83 180.04 1xsk h LEU 565 N 0.36 -0.47 -0.24 1.46 5.85 -1.13 -2.00 115.31 119.14 1xsk h LEU 565 Ca 0.08 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1xsk h LEU 565 Cb 0.50 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1xsk h LEU 565 CO 0.02 -0.18 0.04 0.50 -0.34 0.00 0.00 178.44 178.48 1xsk h LYS 566 N -0.13 0.12 -0.76 1.25 3.64 -1.10 -1.03 116.57 118.56 1xsk h LYS 566 Ca 0.12 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.63 1xsk h LYS 566 Cb 0.32 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1xsk h LYS 566 CO -0.30 0.08 0.50 0.00 -2.27 0.00 0.00 179.45 177.46 1xsk h ARG 568 N 0.49 0.22 0.00 0.00 3.08 -0.50 -3.16 114.38 114.52 1xsk h ARG 568 Ca 0.37 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1xsk h ARG 568 Cb 0.74 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1xsk h ARG 568 CO -0.13 0.85 0.00 -1.33 -1.07 0.00 0.00 179.97 178.30 1xsk n MET 569 N -3.78 0.66 -0.23 0.04 2.81 -0.04 0.11 117.12 116.68 1xsk n MET 569 Ca -0.03 0.01 0.18 0.00 -1.81 0.00 0.00 57.70 56.05 1xsk n MET 569 Cb 0.70 -1.50 0.50 0.00 -0.71 0.00 0.00 33.22 32.21 1xsk n MET 569 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xsk h MET 570 N 0.00 0.42 -0.69 0.03 2.86 -1.41 0.32 114.93 116.45 1xsk h MET 570 Ca 0.00 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1xsk h MET 570 Cb 0.15 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 1xsk h MET 570 CO 0.00 0.28 0.46 -1.35 1.06 0.00 0.00 176.91 177.36 1xsk h PRO 571 N 0.43 0.89 0.00 -0.22 0.11 -1.75 0.27 132.00 131.74 1xsk h PRO 571 Ca 0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.51 1xsk h PRO 571 Cb 1.09 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1xsk h PRO 571 CO -0.17 0.59 -0.00 -0.92 -0.21 0.00 0.00 178.00 177.28 1xsk h TYR 572 N 0.92 -0.01 -0.87 0.65 3.20 -1.16 -3.28 116.97 116.43 1xsk h TYR 572 Ca 0.26 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.33 1xsk h TYR 572 Cb -0.07 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 38.04 1xsk h TYR 572 CO -0.00 -0.00 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.38 1xsk h LEU 573 N -0.60 -0.55 -1.58 2.82 4.07 -0.38 0.53 115.31 119.63 1xsk h LEU 573 Ca -0.00 0.24 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1xsk h LEU 573 Cb 0.00 0.45 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 1xsk h LEU 573 CO 0.00 -0.27 -0.12 0.22 -1.08 0.00 0.00 178.44 177.19 1xsk h TYR 574 N 0.04 0.00 -0.09 1.13 3.20 -0.64 -0.78 116.97 119.83 1xsk h TYR 574 Ca 0.47 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.24 1xsk h TYR 574 Cb 0.84 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1xsk h TYR 574 CO -0.54 0.12 -0.33 -0.09 -1.64 0.00 0.00 178.16 175.68 1xsk h ARG 575 N 0.00 0.39 -0.21 1.82 9.65 -0.02 -2.33 114.38 123.67 1xsk h ARG 575 Ca -0.00 -0.30 -0.03 0.00 -1.10 0.00 0.00 59.98 58.55 1xsk h ARG 575 Cb 0.51 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 1xsk h ARG 575 CO 0.02 0.92 -0.01 0.93 2.80 0.00 0.00 179.97 184.63 1xsk h GLU 576 N -0.06 0.31 -0.29 0.20 4.39 -0.95 -0.11 114.58 118.07 1xsk h GLU 576 Ca -0.02 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 1xsk h GLU 576 Cb 0.97 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1xsk h GLU 576 CO 0.07 0.35 -0.12 0.00 -1.16 0.00 0.00 179.01 178.15 1xsk h ALA 577 N 1.69 1.26 -0.90 3.43 0.00 -1.05 -2.35 119.26 121.35 1xsk h ALA 577 Ca 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xsk h ALA 577 Cb 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1xsk h ALA 577 CO 0.01 0.49 0.55 0.00 0.00 0.00 0.00 179.25 180.29 1xsk h ALA 578 N 1.43 1.27 -0.70 0.00 0.00 -0.45 -2.38 119.26 118.44 1xsk h ALA 578 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xsk h ALA 578 Cb 0.48 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xsk h ALA 578 CO 0.03 0.63 0.36 0.00 0.00 0.00 0.00 179.25 180.26 1xsk h ARG 579 N 1.24 0.98 -0.31 0.00 3.08 -1.19 -1.00 114.38 117.19 1xsk h ARG 579 Ca 0.32 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.26 1xsk h ARG 579 Cb -0.06 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1xsk h ARG 579 CO -0.06 0.74 0.21 0.00 -1.07 0.00 0.00 179.97 179.78 1xsk h ALA 580 N 1.41 1.80 0.00 0.04 0.00 -1.33 0.92 119.26 122.10 1xsk h ALA 580 Ca 0.24 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 1xsk h ALA 580 Cb 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1xsk h ALA 580 CO -0.04 0.18 -1.23 -0.97 0.00 0.00 0.00 179.25 177.19 1xsk h ASN 581 N 0.40 0.00 0.00 0.00 -0.73 -1.32 -2.38 115.58 111.54 1xsk h ASN 581 Ca 0.12 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.18 1xsk h ASN 581 Cb -0.02 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 1xsk h ASN 581 CO -0.03 0.94 -0.63 0.00 -0.37 0.00 0.00 177.43 177.34 1xsk h ALA 582 N 1.06 0.12 -0.01 1.57 0.00 -0.40 -3.43 119.26 118.18 1xsk h ALA 582 Ca -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1xsk h ALA 582 Cb 1.82 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1xsk h ALA 582 CO 0.10 0.37 -0.17 0.54 0.00 0.00 0.00 179.25 180.10 1xsk n ARG 583 N -4.54 2.20 -1.53 0.00 1.74 0.31 -5.00 116.66 109.84 1xsk n ARG 583 Ca -0.19 -0.54 -0.04 0.00 -0.77 0.00 0.00 57.85 56.31 1xsk n ARG 583 Cb 0.52 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.93 1xsk n ARG 583 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xsk n GLY 584 N 0.81 0.49 3.60 -0.13 0.00 -0.86 -3.22 105.19 105.87 1xsk n GLY 584 Ca 0.03 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1xsk n GLY 584 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsk s THR 585 N -2.18 4.89 0.59 2.61 2.01 -1.24 -4.73 115.64 117.59 1xsk s THR 585 Ca 0.00 0.96 -0.19 0.00 0.31 0.00 0.00 61.69 62.76 1xsk s THR 585 Cb 0.00 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1xsk s THR 585 CO 0.00 -0.17 1.25 -2.16 -0.69 0.00 0.00 174.62 172.85 1xsk s PRO 586 N 2.71 2.95 0.29 4.92 0.04 -1.26 -3.14 135.00 141.51 1xsk s PRO 586 Ca 0.27 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.30 1xsk s PRO 586 Cb -0.15 -1.99 0.45 0.00 0.04 0.00 0.00 34.50 32.85 1xsk s PRO 586 CO 0.12 -1.25 1.72 0.52 0.04 0.00 0.00 177.00 178.15 1xsk h MET 587 N 0.97 0.37 -4.65 4.56 2.86 -1.76 -3.38 114.93 113.90 1xsk h MET 587 Ca -0.51 -0.15 -0.69 0.00 -2.06 0.00 0.00 59.70 56.29 1xsk h MET 587 Cb 1.30 -0.02 -0.21 0.00 0.06 0.00 0.00 31.60 32.74 1xsk h MET 587 CO 0.55 0.65 -0.49 1.41 1.06 0.00 0.00 176.91 180.09 1xsk s MET 588 N -4.36 3.20 -0.08 1.72 -2.45 -1.26 -1.18 119.30 114.89 1xsk s MET 588 Ca -0.06 -0.84 0.05 0.00 -1.25 0.00 0.00 55.69 53.60 1xsk s MET 588 Cb 0.14 -3.79 -0.01 0.00 1.25 0.00 0.00 34.83 32.42 1xsk s MET 588 CO 0.78 -0.56 -0.24 1.03 1.05 0.00 0.00 175.02 177.07 1xsk s ARG 589 N 1.66 2.77 0.58 4.11 0.52 0.18 -4.79 118.95 123.99 1xsk s ARG 589 Ca 0.05 -0.89 -0.20 0.00 -0.52 0.00 0.00 55.73 54.17 1xsk s ARG 589 Cb -0.18 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 1xsk s ARG 589 CO 0.09 0.28 1.26 0.00 0.02 0.00 0.00 175.30 176.95 1xsk s ALA 590 N 0.08 2.62 0.27 2.13 0.00 -1.26 -0.84 121.76 124.76 1xsk s ALA 590 Ca -0.11 1.13 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1xsk s ALA 590 Cb -0.16 -3.50 0.54 0.00 0.00 0.00 0.00 23.12 20.01 1xsk s ALA 590 CO 0.06 -1.26 1.81 0.52 0.00 0.00 0.00 175.76 176.90 1xsk h MET 591 N 1.07 0.84 -0.13 0.00 0.00 -1.82 -1.31 114.93 113.59 1xsk h MET 591 Ca -0.51 -0.05 0.04 0.00 0.00 0.00 0.00 59.70 59.18 1xsk h MET 591 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 31.60 32.71 1xsk h MET 591 CO 0.56 0.56 0.11 0.00 0.00 0.00 0.00 176.91 178.14 1xsk h MET 592 N 0.87 0.00 0.07 1.72 -0.00 -1.79 0.14 114.93 115.93 1xsk h MET 592 Ca 0.48 0.00 -0.26 0.00 -0.00 0.00 0.00 59.70 59.92 1xsk h MET 592 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.14 1xsk h MET 592 CO -0.29 0.00 -1.11 1.98 -0.00 0.00 0.00 176.91 177.49 1xsk h MET 593 N 0.00 0.41 0.01 -0.10 1.85 -1.58 -2.40 114.93 113.12 1xsk h MET 593 Ca 0.06 -0.53 -0.27 0.00 -0.61 0.00 0.00 59.70 58.35 1xsk h MET 593 Cb 0.28 0.17 -0.04 0.00 0.43 0.00 0.00 31.60 32.45 1xsk h MET 593 CO -0.00 1.20 -1.48 1.49 -0.40 0.00 0.00 176.91 177.72 1xsk h GLU 594 N 0.19 0.02 -2.13 0.39 4.57 -1.33 -3.40 114.58 112.89 1xsk h GLU 594 Ca -0.12 -0.04 -0.57 0.00 -1.18 0.00 0.00 59.36 57.44 1xsk h GLU 594 Cb 1.78 0.02 -0.41 0.00 -0.16 0.00 0.00 28.75 29.98 1xsk h GLU 594 CO 0.19 0.72 -0.81 1.19 -1.18 0.00 0.00 179.01 179.12 1xsk n PHE 595 N -3.18 2.21 0.30 0.92 3.01 0.41 -4.96 117.46 116.18 1xsk n PHE 595 Ca -0.12 -3.93 0.17 0.00 1.01 0.00 0.00 57.45 54.58 1xsk n PHE 595 Cb 1.02 -0.47 0.97 0.00 -0.01 0.00 0.00 39.48 40.98 1xsk n PHE 595 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xsk h PRO 596 N 3.81 0.00 -0.02 -1.08 0.13 -1.63 -2.48 132.00 130.73 1xsk h PRO 596 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1xsk h PRO 596 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1xsk h PRO 596 CO 0.69 0.00 -0.07 -0.25 -0.23 0.00 0.00 178.00 178.15 1xsk n ASP 597 N -3.71 1.81 -4.48 1.44 8.00 -1.26 -4.82 116.55 113.54 1xsk n ASP 597 Ca -0.03 -1.53 -0.43 0.00 0.71 0.00 0.00 54.79 53.51 1xsk n ASP 597 Cb 0.09 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1xsk n ASP 597 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xsk s ASP 598 N -2.10 6.27 0.17 -2.24 -1.08 -0.94 -4.93 116.67 111.82 1xsk s ASP 598 Ca 0.32 -0.64 0.11 0.00 -0.52 0.00 0.00 52.55 51.83 1xsk s ASP 598 Cb 0.20 -2.31 0.59 0.00 -1.46 0.00 0.00 42.92 39.95 1xsk s ASP 598 CO 0.37 -0.85 1.32 -0.81 0.52 0.00 0.00 175.17 175.72 1xsk n PRO 599 N 6.26 0.07 0.01 4.34 -0.04 -1.26 -1.06 135.00 143.32 1xsk n PRO 599 Ca -0.04 0.56 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1xsk n PRO 599 Cb 0.47 -1.76 0.30 0.00 -0.04 0.00 0.00 33.50 32.47 1xsk n PRO 599 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsk n ALA 600 N -1.63 3.28 0.22 0.55 0.00 -1.26 -3.93 120.51 117.74 1xsk n ALA 600 Ca -0.01 -0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.25 1xsk n ALA 600 Cb 0.04 -1.18 0.26 0.00 0.00 0.00 0.00 19.45 18.57 1xsk n ALA 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsk h ASP 602 N 4.18 0.66 -0.02 0.00 3.32 -1.70 -3.10 116.42 119.76 1xsk h ASP 602 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1xsk h ASP 602 Cb 0.93 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1xsk h ASP 602 CO 0.00 0.68 -0.19 -1.22 -1.72 0.00 0.00 179.24 176.79 1xsk n TYR 603 N -4.55 0.00 -1.64 4.55 4.01 -1.26 -4.89 117.16 113.37 1xsk n TYR 603 Ca 0.01 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.28 1xsk n TYR 603 Cb 0.18 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.16 1xsk n TYR 603 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1xsk n LEU 604 N 0.33 3.43 0.00 7.72 4.77 -1.25 -4.82 117.00 127.18 1xsk n LEU 604 Ca 0.08 0.80 0.00 0.00 -0.03 0.00 0.00 56.01 56.86 1xsk n LEU 604 Cb 0.37 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1xsk n LEU 604 CO 0.16 -0.16 0.09 -0.90 -1.33 0.00 0.00 177.39 175.25 1xsk n ASP 605 N 7.83 0.35 -1.22 -1.43 3.85 -1.26 -4.54 116.55 120.12 1xsk n ASP 605 Ca 0.25 -0.79 0.10 0.00 -0.71 0.00 0.00 54.79 53.63 1xsk n ASP 605 Cb 0.33 0.13 0.29 0.00 -1.35 0.00 0.00 41.12 40.52 1xsk n ASP 605 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xsk n ARG 606 N -0.13 3.03 -4.05 0.11 1.74 -1.26 -4.55 116.66 111.55 1xsk n ARG 606 Ca 0.00 -2.58 -0.12 0.00 -0.77 0.00 0.00 57.85 54.38 1xsk n ARG 606 Cb 0.10 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1xsk n ARG 606 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1xsk s GLN 607 N -1.30 1.70 0.10 5.56 -2.07 -1.26 -3.92 119.66 118.46 1xsk s GLN 607 Ca 0.43 -1.53 -0.26 0.00 -1.82 0.00 0.00 55.36 52.18 1xsk s GLN 607 Cb 0.25 0.44 0.09 0.00 -1.09 0.00 0.00 33.01 32.70 1xsk s GLN 607 CO 0.26 -0.70 1.11 1.52 -1.32 0.00 0.00 175.29 176.16 1xsk s TYR 608 N -3.53 -0.03 -0.18 9.60 -0.85 -0.89 -4.64 117.35 116.83 1xsk s TYR 608 Ca 0.27 -0.22 -0.05 0.00 -0.52 0.00 0.00 57.07 56.56 1xsk s TYR 608 Cb 0.00 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 1xsk s TYR 608 CO 0.14 -0.64 -0.01 -1.64 -1.52 0.00 0.00 175.55 171.89 1xsk s MET 609 N -2.61 3.66 -0.51 -3.49 -1.94 -0.02 -1.23 119.30 113.16 1xsk s MET 609 Ca 0.17 -0.51 -0.15 0.00 -1.71 0.00 0.00 55.69 53.49 1xsk s MET 609 Cb 0.00 -3.02 0.11 0.00 2.01 0.00 0.00 34.83 33.93 1xsk s MET 609 CO 0.01 0.12 0.44 -1.17 -0.01 0.00 0.00 175.02 174.41 1xsk s LEU 610 N 0.71 5.93 0.04 -0.03 2.96 0.41 -0.64 118.68 128.06 1xsk s LEU 610 Ca -0.01 -1.66 0.00 0.00 -0.22 0.00 0.00 54.13 52.25 1xsk s LEU 610 Cb -0.14 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.38 1xsk s LEU 610 CO 0.02 -0.77 0.00 0.61 -1.32 0.00 0.00 176.35 174.90 1xsk n GLY 611 N 5.18 -1.42 0.30 7.98 0.00 -0.33 -3.60 105.19 113.30 1xsk n GLY 611 Ca -0.13 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.37 1xsk n GLY 611 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xsk h ASP 612 N -0.16 0.78 -0.01 1.61 3.32 -1.91 -3.36 116.42 116.69 1xsk h ASP 612 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1xsk h ASP 612 Cb 0.15 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1xsk h ASP 612 CO 0.00 0.79 -0.43 0.59 -1.72 0.00 0.00 179.24 178.48 1xsk n ASN 613 N -4.25 1.82 -4.18 6.45 3.02 -1.26 -4.97 115.26 111.89 1xsk n ASN 613 Ca 0.04 -1.41 -0.28 0.00 -0.03 0.00 0.00 54.58 52.90 1xsk n ASN 613 Cb 0.25 0.49 -0.16 0.00 -0.61 0.00 0.00 39.78 39.75 1xsk n ASN 613 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsk s VAL 614 N -2.23 1.62 -0.22 2.41 0.11 -1.24 -1.46 120.40 119.40 1xsk s VAL 614 Ca 0.16 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.31 1xsk s VAL 614 Cb 0.16 -1.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 1xsk s VAL 614 CO 0.51 0.46 0.06 -0.32 -3.33 0.00 0.00 175.10 172.48 1xsk s MET 615 N -0.02 3.80 -0.12 1.54 1.75 0.43 -0.44 119.30 126.24 1xsk s MET 615 Ca -0.04 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.00 1xsk s MET 615 Cb -0.12 -3.27 0.01 0.00 2.84 0.00 0.00 34.83 34.30 1xsk s MET 615 CO 0.03 0.03 -0.17 0.54 -0.65 0.00 0.00 175.02 174.79 1xsk s VAL 616 N 1.03 1.66 -0.35 10.11 0.11 -0.37 -0.52 120.40 132.08 1xsk s VAL 616 Ca 0.04 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.34 1xsk s VAL 616 Cb -0.14 -1.51 0.08 0.00 -1.53 0.00 0.00 36.38 33.28 1xsk s VAL 616 CO 0.03 0.47 0.09 0.00 -3.33 0.00 0.00 175.10 172.37 1xsk s ALA 617 N 0.98 2.97 0.62 1.54 0.00 -0.53 -2.09 121.76 125.25 1xsk s ALA 617 Ca -0.06 -2.17 -0.19 0.00 0.00 0.00 0.00 51.96 49.54 1xsk s ALA 617 Cb -0.15 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 1xsk s ALA 617 CO -0.02 -1.54 1.28 -2.14 0.00 0.00 0.00 175.76 173.34 1xsk s PRO 618 N 1.17 2.74 -0.23 0.00 0.02 -1.25 -3.84 135.00 133.60 1xsk s PRO 618 Ca 0.02 2.04 -0.18 0.00 0.02 0.00 0.00 61.00 62.90 1xsk s PRO 618 Cb -0.21 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 1xsk s PRO 618 CO -0.03 -1.45 0.52 0.08 -0.33 0.00 0.00 177.00 175.79 1xsk s VAL 619 N -1.42 5.08 -0.26 3.83 1.01 -1.26 -4.96 120.40 122.42 1xsk s VAL 619 Ca 0.80 0.93 0.12 0.00 0.00 0.00 0.00 61.98 63.83 1xsk s VAL 619 Cb -0.36 -3.84 0.65 0.00 0.00 0.00 0.00 36.38 32.82 1xsk s VAL 619 CO 0.39 0.13 1.62 0.49 0.00 0.00 0.00 175.10 177.74 1xsk n PHE 620 N 5.14 1.71 -4.15 5.22 3.72 -1.26 -4.81 117.46 123.04 1xsk n PHE 620 Ca -0.04 -1.12 -0.09 0.00 -0.05 0.00 0.00 57.45 56.14 1xsk n PHE 620 Cb 0.50 -0.52 -0.10 0.00 -0.94 0.00 0.00 39.48 38.42 1xsk n PHE 620 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1xsk s THR 621 N -2.97 0.51 -0.04 4.37 -4.23 -1.26 -4.89 115.64 107.13 1xsk s THR 621 Ca 0.49 -1.89 -0.22 0.00 -1.18 0.00 0.00 61.69 58.88 1xsk s THR 621 Cb 0.40 -1.67 -0.16 0.00 1.34 0.00 0.00 72.50 72.41 1xsk s THR 621 CO 0.10 -0.88 0.99 -0.08 -0.54 0.00 0.00 174.62 174.21 1xsk h GLU 622 N 3.01 -0.23 -0.92 3.99 4.81 -1.93 -3.20 114.58 120.11 1xsk h GLU 622 Ca -0.35 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.14 1xsk h GLU 622 Cb 1.16 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 1xsk h GLU 622 CO 0.65 0.19 0.63 0.00 -0.73 0.00 0.00 179.01 179.75 1xsk h ALA 623 N -0.19 2.51 0.00 2.92 0.00 -1.97 -3.46 119.26 119.08 1xsk h ALA 623 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xsk h ALA 623 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xsk h ALA 623 CO 0.04 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 178.90 1xsk n GLY 624 N -1.60 0.85 3.77 0.00 0.00 -1.21 -4.77 105.19 102.23 1xsk n GLY 624 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1xsk n GLY 624 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsk s ASP 625 N -2.09 6.38 -0.22 1.61 1.01 -1.26 -1.68 116.67 120.42 1xsk s ASP 625 Ca 0.00 2.56 -0.14 0.00 0.71 0.00 0.00 52.55 55.68 1xsk s ASP 625 Cb 0.00 -2.63 0.07 0.00 1.01 0.00 0.00 42.92 41.37 1xsk s ASP 625 CO 0.00 -0.79 0.56 0.54 0.21 0.00 0.00 175.17 175.68 1xsk s VAL 626 N -1.30 -0.01 -0.14 -1.27 0.11 -0.84 -4.48 120.40 112.47 1xsk s VAL 626 Ca 0.57 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.67 1xsk s VAL 626 Cb -0.36 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1xsk s VAL 626 CO 0.46 0.01 -0.19 -1.10 -3.33 0.00 0.00 175.10 170.95 1xsk s GLN 627 N 1.24 3.12 0.05 1.54 -0.21 -1.26 -1.28 119.66 122.87 1xsk s GLN 627 Ca -0.08 -0.81 -0.00 0.00 0.02 0.00 0.00 55.36 54.50 1xsk s GLN 627 Cb -0.06 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 1xsk s GLN 627 CO -0.12 0.03 -0.04 -0.59 -2.12 0.00 0.00 175.29 172.45 1xsk s PHE 628 N 0.74 0.55 -0.00 0.91 -0.12 -0.47 -4.97 117.98 114.62 1xsk s PHE 628 Ca -0.08 -0.91 -0.00 0.00 -0.05 0.00 0.00 56.93 55.89 1xsk s PHE 628 Cb -0.16 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 41.82 1xsk s PHE 628 CO 0.00 -0.29 0.09 -0.47 -0.05 0.00 0.00 175.22 174.50 1xsk s TYR 629 N -3.26 3.30 -0.12 3.49 5.04 -1.26 0.08 117.35 124.61 1xsk s TYR 629 Ca 0.03 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.88 1xsk s TYR 629 Cb 0.03 -1.74 0.01 0.00 0.35 0.00 0.00 41.96 40.62 1xsk s TYR 629 CO -0.07 0.56 -0.17 -1.17 -1.34 0.00 0.00 175.55 173.36 1xsk s LEU 630 N -1.78 1.82 1.11 6.97 2.96 -0.32 -4.98 118.68 124.47 1xsk s LEU 630 Ca 0.23 -0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 53.51 1xsk s LEU 630 Cb -0.12 -1.20 0.24 0.00 0.50 0.00 0.00 46.19 45.61 1xsk s LEU 630 CO 0.15 0.02 1.07 -2.84 -1.32 0.00 0.00 176.35 173.43 1xsk s PRO 631 N 1.01 -0.46 0.28 0.98 0.02 -1.26 0.76 135.00 136.34 1xsk s PRO 631 Ca -0.05 0.40 -0.27 0.00 0.02 0.00 0.00 61.00 61.10 1xsk s PRO 631 Cb -0.15 -1.64 -0.15 0.00 0.02 0.00 0.00 34.50 32.58 1xsk s PRO 631 CO -0.03 -3.30 0.75 -1.91 -0.33 0.00 0.00 177.00 172.18 1xsk n GLU 632 N -4.55 0.73 0.00 5.54 2.13 -1.26 -2.61 120.64 120.61 1xsk n GLU 632 Ca 0.07 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1xsk n GLU 632 Cb 0.57 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1xsk n GLU 632 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xsk n GLY 633 N 1.60 2.58 3.42 8.31 0.00 -1.26 -4.81 105.19 115.03 1xsk n GLY 633 Ca 0.13 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1xsk n GLY 633 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xsk s ARG 634 N -2.24 2.89 0.17 1.61 3.52 -1.26 0.16 118.95 123.80 1xsk s ARG 634 Ca 0.00 -1.07 -0.15 0.00 -0.13 0.00 0.00 55.73 54.38 1xsk s ARG 634 Cb 0.00 -3.87 -0.07 0.00 -1.56 0.00 0.00 34.95 29.44 1xsk s ARG 634 CO 0.00 -0.75 0.59 -1.58 -0.81 0.00 0.00 175.30 172.75 1xsk s TRP 635 N 1.62 3.59 -0.11 5.12 0.52 0.11 -3.69 118.94 126.10 1xsk s TRP 635 Ca 0.04 1.12 0.03 0.00 0.02 0.00 0.00 56.10 57.30 1xsk s TRP 635 Cb -0.19 -2.42 -0.00 0.00 -1.15 0.00 0.00 33.47 29.71 1xsk s TRP 635 CO 0.08 0.39 -0.22 0.99 0.02 0.00 0.00 176.95 178.21 1xsk s THR 636 N -1.52 2.24 0.25 2.01 2.01 -0.56 -0.74 115.64 119.34 1xsk s THR 636 Ca 0.40 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 1xsk s THR 636 Cb -0.15 -1.88 -0.10 0.00 0.01 0.00 0.00 72.50 70.38 1xsk s THR 636 CO 0.20 0.55 1.49 -2.28 -0.69 0.00 0.00 174.62 173.89 1xsk s HIS 637 N 0.40 2.95 0.31 4.92 2.46 0.17 0.32 115.29 126.83 1xsk s HIS 637 Ca -0.16 0.92 0.08 0.00 0.47 0.00 0.00 55.06 56.38 1xsk s HIS 637 Cb -0.17 -3.90 0.86 0.00 -0.13 0.00 0.00 32.58 29.24 1xsk s HIS 637 CO 0.07 -2.98 1.71 1.25 -2.47 0.00 0.00 174.74 172.32 1xsk h LEU 638 N 5.14 0.53 0.00 8.88 5.85 -1.14 -2.30 115.31 132.27 1xsk h LEU 638 Ca -0.46 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1xsk h LEU 638 Cb 1.22 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1xsk h LEU 638 CO 0.79 0.03 -0.53 -2.67 -0.34 0.00 0.00 178.44 175.72 1xsk n TRP 639 N -4.97 0.00 0.67 1.25 2.14 -1.26 -4.67 117.44 110.60 1xsk n TRP 639 Ca 0.26 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.96 1xsk n TRP 639 Cb 0.75 0.00 0.46 0.00 -0.81 0.00 0.00 31.31 31.72 1xsk n TRP 639 CO 0.00 0.00 0.00 0.72 2.07 0.00 0.00 177.69 180.48 1xsk n HIS 640 N -0.85 0.65 -1.32 -2.67 8.25 -1.25 -4.90 115.22 113.14 1xsk n HIS 640 Ca 0.00 0.20 -0.11 0.00 -0.26 0.00 0.00 57.72 57.55 1xsk n HIS 640 Cb 0.03 -0.83 -0.05 0.00 1.12 0.00 0.00 29.99 30.26 1xsk n HIS 640 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1xsk n ASN 641 N -2.04 -3.10 -4.90 0.41 5.15 -0.86 -4.92 115.26 104.99 1xsk n ASN 641 Ca 0.05 0.28 -0.28 0.00 -0.60 0.00 0.00 54.58 54.03 1xsk n ASN 641 Cb 0.37 -2.92 -0.01 0.00 -0.53 0.00 0.00 39.78 36.68 1xsk n ASN 641 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1xsk s ASP 642 N -1.97 6.35 0.14 1.20 -4.77 -1.26 -4.72 116.67 111.64 1xsk s ASP 642 Ca 0.00 0.93 0.10 0.00 -3.30 0.00 0.00 52.55 50.28 1xsk s ASP 642 Cb 0.00 -2.25 -0.04 0.00 -1.09 0.00 0.00 42.92 39.54 1xsk s ASP 642 CO 0.00 -0.48 -0.18 -1.61 0.70 0.00 0.00 175.17 173.59 1xsk s GLU 643 N -4.38 1.75 -0.01 2.11 2.02 -1.26 -0.65 118.70 118.28 1xsk s GLU 643 Ca 0.48 -1.27 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 1xsk s GLU 643 Cb -0.10 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1xsk s GLU 643 CO 0.39 0.46 0.02 -0.51 0.02 0.00 0.00 175.26 175.64 1xsk s LEU 644 N -2.33 1.92 0.17 1.80 1.43 0.08 -4.98 118.68 116.76 1xsk s LEU 644 Ca 0.19 0.03 -0.24 0.00 -1.03 0.00 0.00 54.13 53.08 1xsk s LEU 644 Cb -0.10 0.08 -0.08 0.00 0.03 0.00 0.00 46.19 46.12 1xsk s LEU 644 CO 0.10 -0.02 0.75 -1.81 0.23 0.00 0.00 176.35 175.61 1xsk s ASP 645 N -0.03 7.32 0.21 2.29 1.01 -1.26 0.04 116.67 126.25 1xsk s ASP 645 Ca -0.00 1.59 0.00 0.00 0.71 0.00 0.00 52.55 54.84 1xsk s ASP 645 Cb -0.00 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1xsk s ASP 645 CO 0.00 0.19 0.00 0.61 0.21 0.00 0.00 175.17 176.18 1xsk n GLY 646 N 1.48 -0.94 3.22 0.21 0.00 0.42 -4.63 105.19 104.95 1xsk n GLY 646 Ca -0.06 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 1xsk n GLY 646 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsk n SER 647 N -0.63 -5.55 -3.70 1.61 7.64 0.23 -4.79 113.62 108.44 1xsk n SER 647 Ca 0.00 -0.37 -0.02 0.00 1.01 0.00 0.00 58.87 59.49 1xsk n SER 647 Cb 0.00 -4.48 -0.01 0.00 -1.01 0.00 0.00 64.21 58.71 1xsk n SER 647 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsk s ARG 648 N -5.90 0.92 0.25 1.43 1.70 -0.97 -4.98 118.95 111.39 1xsk s ARG 648 Ca 0.38 -0.50 -0.12 0.00 -0.47 0.00 0.00 55.73 55.03 1xsk s ARG 648 Cb -0.18 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.45 1xsk s ARG 648 CO 0.47 -0.42 0.60 -1.58 -1.08 0.00 0.00 175.30 173.29 1xsk s TRP 649 N -3.01 3.43 0.03 5.89 0.52 -1.26 -1.17 118.94 123.36 1xsk s TRP 649 Ca 0.12 0.98 0.05 0.00 0.02 0.00 0.00 56.10 57.27 1xsk s TRP 649 Cb 0.00 -2.34 -0.02 0.00 -1.15 0.00 0.00 33.47 29.96 1xsk s TRP 649 CO -0.00 0.24 -0.14 -1.01 0.02 0.00 0.00 176.95 176.06 1xsk s HIS 650 N -1.82 1.20 -0.25 -1.98 3.76 0.11 -4.96 115.29 111.34 1xsk s HIS 650 Ca 0.48 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 55.07 1xsk s HIS 650 Cb -0.11 -0.72 0.06 0.00 1.11 0.00 0.00 32.58 32.92 1xsk s HIS 650 CO 0.20 0.02 -0.05 0.21 -0.85 0.00 0.00 174.74 174.27 1xsk s LYS 651 N -0.99 1.69 0.28 1.40 2.20 -1.26 -1.37 119.74 121.68 1xsk s LYS 651 Ca 0.02 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.51 1xsk s LYS 651 Cb -0.07 -2.66 -0.00 0.00 -1.51 0.00 0.00 37.83 33.59 1xsk s LYS 651 CO 0.01 -0.63 0.00 1.04 -0.36 0.00 0.00 175.35 175.41 1xsk n GLN 652 N 4.61 1.32 -3.70 4.03 6.02 -0.40 -4.98 117.38 124.28 1xsk n GLN 652 Ca -0.11 -2.01 -0.12 0.00 -0.01 0.00 0.00 57.00 54.74 1xsk n GLN 652 Cb 0.43 0.55 -0.13 0.00 1.02 0.00 0.00 30.24 32.12 1xsk n GLN 652 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1xsk s GLN 653 N -2.99 0.22 0.15 -1.09 0.74 -1.26 -1.99 119.66 113.44 1xsk s GLN 653 Ca 0.00 0.68 0.08 0.00 0.05 0.00 0.00 55.36 56.17 1xsk s GLN 653 Cb 0.00 -0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.02 1xsk s GLN 653 CO 0.00 -0.21 -0.18 -1.01 -0.55 0.00 0.00 175.29 173.34 1xsk s HIS 654 N 1.77 1.79 0.74 1.67 3.76 -0.67 -4.99 115.29 119.35 1xsk s HIS 654 Ca -0.05 -0.47 -0.07 0.00 -0.15 0.00 0.00 55.06 54.32 1xsk s HIS 654 Cb -0.11 -0.91 0.16 0.00 1.11 0.00 0.00 32.58 32.83 1xsk s HIS 654 CO -0.09 0.30 1.01 0.41 -0.85 0.00 0.00 174.74 175.51 1xsk n GLY 655 N 0.43 -0.36 0.00 -2.22 0.00 -1.26 -4.42 105.19 97.36 1xsk n GLY 655 Ca -0.14 -1.87 0.07 0.00 0.00 0.00 0.00 46.02 44.08 1xsk n GLY 655 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xsk n PHE 656 N -3.11 0.00 -0.08 1.61 3.72 -1.26 -1.74 117.46 116.60 1xsk n PHE 656 Ca 0.14 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.63 1xsk n PHE 656 Cb 0.51 -0.27 0.21 0.00 -0.94 0.00 0.00 39.48 38.98 1xsk n PHE 656 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1xsk n LEU 657 N -1.27 3.29 -3.92 4.37 7.94 -1.26 -4.82 117.00 121.32 1xsk n LEU 657 Ca 0.07 -1.80 -0.08 0.00 -1.11 0.00 0.00 56.01 53.08 1xsk n LEU 657 Cb 0.11 -0.30 -0.08 0.00 0.53 0.00 0.00 43.42 43.68 1xsk n LEU 657 CO 0.11 0.78 -0.17 -0.55 -1.11 0.00 0.00 177.39 176.45 1xsk s SER 658 N -1.10 0.22 -0.14 1.96 0.15 -0.71 -5.04 113.70 109.04 1xsk s SER 658 Ca 0.34 -0.73 -0.31 0.00 0.70 0.00 0.00 55.95 55.94 1xsk s SER 658 Cb 0.18 0.29 0.13 0.00 -1.71 0.00 0.00 66.02 64.92 1xsk s SER 658 CO 0.25 -0.68 1.06 -1.48 1.20 0.00 0.00 173.24 173.59 1xsk s LEU 659 N -2.82 -0.27 -0.10 3.45 2.34 -1.26 -4.33 118.68 115.69 1xsk s LEU 659 Ca 0.05 0.15 -0.33 0.00 0.06 0.00 0.00 54.13 54.06 1xsk s LEU 659 Cb 0.05 1.70 -0.10 0.00 -0.56 0.00 0.00 46.19 47.28 1xsk s LEU 659 CO -0.10 -0.36 1.97 -2.65 -1.06 0.00 0.00 176.35 174.15 1xsk n PRO 660 N 0.23 2.23 -3.39 1.48 -0.02 -1.25 -4.91 135.00 129.37 1xsk n PRO 660 Ca -0.06 0.79 -0.25 0.00 -2.02 0.00 0.00 63.50 61.96 1xsk n PRO 660 Cb 0.59 -2.78 -0.10 0.00 -0.02 0.00 0.00 33.50 31.19 1xsk n PRO 660 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xsk s VAL 661 N 4.92 0.08 -0.11 -1.45 1.01 -1.25 -1.45 120.40 122.15 1xsk s VAL 661 Ca 0.94 -1.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1xsk s VAL 661 Cb -0.61 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1xsk s VAL 661 CO 0.48 -0.98 0.05 -0.31 0.00 0.00 0.00 175.10 174.34 1xsk s TYR 662 N 0.76 3.31 -0.02 5.22 2.02 0.33 -0.50 117.35 128.47 1xsk s TYR 662 Ca 0.24 0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 57.09 1xsk s TYR 662 Cb -0.11 -1.89 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 1xsk s TYR 662 CO -0.07 0.49 0.32 0.08 -1.57 0.00 0.00 175.55 174.79 1xsk s VAL 663 N -0.68 5.20 0.61 0.71 1.01 0.15 -0.43 120.40 126.97 1xsk s VAL 663 Ca 0.12 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.48 1xsk s VAL 663 Cb -0.12 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1xsk s VAL 663 CO 0.02 0.54 1.10 -0.13 0.00 0.00 0.00 175.10 176.64 1xsk s ARG 664 N -1.22 3.07 0.82 2.72 0.52 -0.54 -1.50 118.95 122.82 1xsk s ARG 664 Ca 0.23 1.42 -0.11 0.00 -0.52 0.00 0.00 55.73 56.74 1xsk s ARG 664 Cb -0.15 -1.98 0.08 0.00 0.52 0.00 0.00 34.95 33.42 1xsk s ARG 664 CO 0.12 -1.04 1.09 0.16 0.02 0.00 0.00 175.30 175.64 1xsk s ASP 665 N -2.38 4.19 -1.43 0.23 3.84 -1.24 -3.48 116.67 116.39 1xsk s ASP 665 Ca 0.68 1.55 -0.08 0.00 -0.00 0.00 0.00 52.55 54.70 1xsk s ASP 665 Cb -0.20 -2.27 0.01 0.00 -1.38 0.00 0.00 42.92 39.08 1xsk s ASP 665 CO 0.36 -2.20 1.01 0.59 -0.00 0.00 0.00 175.17 174.93 1xsk n ASN 666 N -3.60 -6.26 -4.45 2.11 3.02 0.26 -4.97 115.26 101.37 1xsk n ASN 666 Ca 0.08 -0.48 -0.33 0.00 -0.03 0.00 0.00 54.58 53.82 1xsk n ASN 666 Cb 0.55 -4.96 -0.13 0.00 -0.61 0.00 0.00 39.78 34.62 1xsk n ASN 666 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xsk s THR 667 N -3.28 3.04 -0.53 3.41 2.01 -0.91 -4.59 115.64 114.79 1xsk s THR 667 Ca 0.51 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.83 1xsk s THR 667 Cb -0.23 -2.21 0.13 0.00 0.01 0.00 0.00 72.50 70.21 1xsk s THR 667 CO 0.63 0.58 0.28 -0.22 -0.69 0.00 0.00 174.62 175.19 1xsk s LEU 668 N -0.51 4.31 0.37 4.42 2.96 -1.26 0.28 118.68 129.24 1xsk s LEU 668 Ca 0.07 -3.07 -0.15 0.00 -0.22 0.00 0.00 54.13 50.77 1xsk s LEU 668 Cb -0.12 -1.63 -0.08 0.00 0.50 0.00 0.00 46.19 44.86 1xsk s LEU 668 CO 0.02 -0.22 0.78 -0.22 -1.32 0.00 0.00 176.35 175.39 1xsk s LEU 669 N -0.36 3.96 -0.21 -0.68 2.96 0.05 -4.35 118.68 120.04 1xsk s LEU 669 Ca 0.18 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.40 1xsk s LEU 669 Cb -0.25 -4.14 0.05 0.00 0.50 0.00 0.00 46.19 42.35 1xsk s LEU 669 CO -0.01 -0.29 -0.11 0.00 -1.32 0.00 0.00 176.35 174.62 1xsk s ALA 670 N -2.14 2.12 0.05 5.97 0.00 -1.26 -0.40 121.76 126.10 1xsk s ALA 670 Ca 0.55 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1xsk s ALA 670 Cb -0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1xsk s ALA 670 CO 0.21 -0.88 0.05 -0.51 0.00 0.00 0.00 175.76 174.63 1xsk s LEU 671 N 1.34 3.70 0.66 0.00 1.02 -0.85 -3.37 118.68 121.17 1xsk s LEU 671 Ca -0.02 -0.00 -0.05 0.00 0.02 0.00 0.00 54.13 54.07 1xsk s LEU 671 Cb -0.17 -2.29 0.05 0.00 0.02 0.00 0.00 46.19 43.80 1xsk s LEU 671 CO -0.08 0.22 0.95 -0.83 0.02 0.00 0.00 176.35 176.63 1xsk s GLY 672 N -2.06 1.70 -0.10 -3.19 0.00 0.30 -1.50 107.32 102.47 1xsk s GLY 672 Ca 0.25 -0.98 0.15 0.00 0.00 0.00 0.00 44.72 44.15 1xsk s GLY 672 CO 0.17 -0.61 1.45 1.16 0.00 0.00 0.00 173.10 175.27 1xsk n ASN 673 N -2.76 3.93 -3.89 1.64 6.94 -1.26 -4.82 115.26 115.03 1xsk n ASN 673 Ca 0.07 -2.49 -0.30 0.00 -0.02 0.00 0.00 54.58 51.84 1xsk n ASN 673 Cb 0.60 -0.46 -0.15 0.00 -2.36 0.00 0.00 39.78 37.41 1xsk n ASN 673 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xsk s ASN 674 N -1.26 3.90 -0.34 0.53 3.84 -1.26 -4.98 114.94 115.37 1xsk s ASN 674 Ca 0.40 -1.35 0.09 0.00 0.21 0.00 0.00 52.86 52.21 1xsk s ASN 674 Cb 0.27 -1.12 0.66 0.00 -0.55 0.00 0.00 41.25 40.51 1xsk s ASN 674 CO 0.17 -0.29 1.73 -0.90 -2.79 0.00 0.00 177.10 175.02 1xsk n ASP 675 N 4.69 3.98 -0.04 -4.21 5.75 -1.26 -3.87 116.55 121.58 1xsk n ASP 675 Ca -0.08 -3.42 -0.05 0.00 -0.01 0.00 0.00 54.79 51.23 1xsk n ASP 675 Cb 0.44 -0.73 -0.04 0.00 -1.03 0.00 0.00 41.12 39.75 1xsk n ASP 675 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xsk n GLN 676 N -0.66 1.04 -4.07 0.11 1.13 -1.26 -4.36 117.38 109.32 1xsk n GLN 676 Ca 0.43 0.03 -0.13 0.00 -1.94 0.00 0.00 57.00 55.39 1xsk n GLN 676 Cb 1.35 -1.17 -0.11 0.00 0.11 0.00 0.00 30.24 30.42 1xsk n GLN 676 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1xsk s ARG 677 N -2.17 0.55 0.15 -1.09 1.70 -1.26 -4.75 118.95 112.07 1xsk s ARG 677 Ca -0.09 -0.79 -0.07 0.00 -0.47 0.00 0.00 55.73 54.32 1xsk s ARG 677 Cb 0.03 -0.31 -0.03 0.00 -0.57 0.00 0.00 34.95 34.07 1xsk s ARG 677 CO 0.22 0.05 1.39 -1.00 -1.08 0.00 0.00 175.30 174.88 1xsk h PRO 678 N 4.43 0.60 -4.85 3.89 0.13 -1.87 -3.43 132.00 130.91 1xsk h PRO 678 Ca -0.36 -0.47 -0.69 0.00 -0.87 0.00 0.00 66.00 63.60 1xsk h PRO 678 Cb 1.20 0.09 -0.19 0.00 0.13 0.00 0.00 31.00 32.23 1xsk h PRO 678 CO 0.41 1.09 -0.10 0.16 -0.23 0.00 0.00 178.00 179.34 1xsk s ASP 679 N -7.02 6.21 0.00 1.44 -4.77 -1.26 -4.89 116.67 106.37 1xsk s ASP 679 Ca -0.08 -0.87 0.00 0.00 -3.30 0.00 0.00 52.55 48.30 1xsk s ASP 679 Cb 0.10 -2.25 0.00 0.00 -1.09 0.00 0.00 42.92 39.68 1xsk s ASP 679 CO 0.87 -0.74 0.00 0.00 0.70 0.00 0.00 175.17 176.00 1xsk n TYR 680 N 5.82 -0.66 -2.75 2.11 4.11 -1.26 -5.02 117.16 119.51 1xsk n TYR 680 Ca -0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.40 1xsk n TYR 680 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.77 1xsk n TYR 680 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1xsk s VAL 681 N -2.86 4.25 0.21 -3.48 0.11 -1.26 -4.85 120.40 112.52 1xsk s VAL 681 Ca 0.00 -0.79 -0.03 0.00 -2.93 0.00 0.00 61.98 58.23 1xsk s VAL 681 Cb 0.00 -4.86 -0.00 0.00 -1.53 0.00 0.00 36.38 29.98 1xsk s VAL 681 CO 0.00 -1.68 1.58 -0.50 -3.33 0.00 0.00 175.10 171.17 1xsk h TRP 682 N 9.46 0.77 -0.30 1.54 6.55 -1.96 -3.18 115.95 128.84 1xsk h TRP 682 Ca 0.01 -0.22 -0.20 0.00 0.95 0.00 0.00 58.89 59.44 1xsk h TRP 682 Cb 1.03 -0.17 -0.09 0.00 -0.86 0.00 0.00 29.16 29.08 1xsk h TRP 682 CO 1.15 0.93 0.25 -2.39 -1.05 0.00 0.00 178.44 177.34 1xsk n HIS 683 N -4.05 0.95 -3.39 0.49 1.44 -1.26 -4.25 115.22 105.15 1xsk n HIS 683 Ca -0.01 -1.53 -0.04 0.00 -2.01 0.00 0.00 57.72 54.13 1xsk n HIS 683 Cb 0.50 -0.75 -0.06 0.00 0.12 0.00 0.00 29.99 29.81 1xsk n HIS 683 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1xsk s GLU 684 N -1.12 0.44 0.00 -1.40 -6.30 -1.20 -2.64 118.70 106.48 1xsk s GLU 684 Ca 0.19 0.90 0.00 0.00 -2.50 0.00 0.00 54.97 53.56 1xsk s GLU 684 Cb 0.15 0.18 0.00 0.00 0.00 0.00 0.00 34.13 34.46 1xsk s GLU 684 CO 0.00 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1xsk n GLY 685 N 5.40 0.61 3.76 -1.50 0.00 -0.41 -4.75 105.19 108.31 1xsk n GLY 685 Ca -0.05 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1xsk n GLY 685 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsk s THR 686 N -2.00 2.19 -0.35 2.61 2.01 -1.25 -4.33 115.64 114.53 1xsk s THR 686 Ca 0.00 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1xsk s THR 686 Cb 0.00 -3.09 0.10 0.00 0.01 0.00 0.00 72.50 69.52 1xsk s THR 686 CO 0.00 0.01 0.07 0.00 -0.69 0.00 0.00 174.62 174.01 1xsk s ALA 687 N -1.26 2.93 0.40 7.40 0.00 -0.56 -1.96 121.76 128.70 1xsk s ALA 687 Ca 0.64 -2.42 -0.22 0.00 0.00 0.00 0.00 51.96 49.96 1xsk s ALA 687 Cb -0.41 -2.04 -0.11 0.00 0.00 0.00 0.00 23.12 20.56 1xsk s ALA 687 CO 0.51 -1.65 0.94 -0.06 0.00 0.00 0.00 175.76 175.51 1xsk s PHE 688 N 1.00 3.41 -0.07 0.00 0.08 -0.59 -2.01 117.98 119.80 1xsk s PHE 688 Ca 0.07 1.65 -0.01 0.00 0.12 0.00 0.00 56.93 58.77 1xsk s PHE 688 Cb -0.20 -2.86 0.03 0.00 -0.57 0.00 0.00 43.02 39.41 1xsk s PHE 688 CO -0.06 -0.02 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.01 1xsk s HIS 689 N -2.02 0.78 -0.19 0.36 3.76 0.47 -0.27 115.29 118.16 1xsk s HIS 689 Ca 0.59 -0.25 -0.15 0.00 -0.15 0.00 0.00 55.06 55.11 1xsk s HIS 689 Cb -0.12 -0.84 -0.04 0.00 1.11 0.00 0.00 32.58 32.69 1xsk s HIS 689 CO 0.16 -0.34 0.33 -1.17 -0.85 0.00 0.00 174.74 172.88 1xsk s LEU 690 N 1.82 4.17 -0.28 0.89 2.96 -0.69 -0.77 118.68 126.77 1xsk s LEU 690 Ca 0.03 0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 54.36 1xsk s LEU 690 Cb -0.12 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.18 1xsk s LEU 690 CO -0.05 -0.01 0.01 -0.36 -1.32 0.00 0.00 176.35 174.62 1xsk s PHE 691 N 1.03 3.16 -0.87 5.38 0.08 0.14 -2.64 117.98 124.26 1xsk s PHE 691 Ca 0.17 -1.49 -0.16 0.00 0.12 0.00 0.00 56.93 55.57 1xsk s PHE 691 Cb -0.14 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1xsk s PHE 691 CO 0.06 -0.71 0.54 0.09 -0.10 0.00 0.00 175.22 175.10 1xsk n ASN 692 N 4.72 -3.74 -4.61 1.36 5.03 -1.26 0.90 115.26 117.66 1xsk n ASN 692 Ca -0.15 -0.98 -0.43 0.00 0.87 0.00 0.00 54.58 53.89 1xsk n ASN 692 Cb 0.46 -1.34 -0.02 0.00 -1.02 0.00 0.00 39.78 37.86 1xsk n ASN 692 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsk s LEU 693 N -5.88 3.63 0.45 3.41 0.20 -1.26 -1.20 118.68 118.03 1xsk s LEU 693 Ca 0.22 0.95 -0.20 0.00 0.69 0.00 0.00 54.13 55.79 1xsk s LEU 693 Cb -0.12 -3.54 -0.10 0.00 -0.43 0.00 0.00 46.19 42.00 1xsk s LEU 693 CO 0.80 -1.40 0.97 -1.10 -0.29 0.00 0.00 176.35 175.32 1xsk s GLN 694 N 4.87 4.13 -0.26 1.98 -0.21 -1.26 -4.95 119.66 123.97 1xsk s GLN 694 Ca 0.62 1.11 -0.38 0.00 0.02 0.00 0.00 55.36 56.74 1xsk s GLN 694 Cb -0.15 -2.16 -0.14 0.00 1.00 0.00 0.00 33.01 31.56 1xsk s GLN 694 CO 0.31 -0.12 1.88 -3.47 -2.12 0.00 0.00 175.29 171.78 1xsk n ASP 695 N -0.85 2.56 0.00 5.90 2.03 -1.26 -1.28 116.55 123.64 1xsk n ASP 695 Ca 0.07 0.90 0.00 0.00 0.52 0.00 0.00 54.79 56.28 1xsk n ASP 695 Cb 0.54 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1xsk n ASP 695 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsk n GLY 696 N 4.83 0.67 3.37 0.27 0.00 0.11 -5.01 105.19 109.44 1xsk n GLY 696 Ca 0.29 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 1xsk n GLY 696 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsk s HIS 697 N -2.00 2.00 -0.16 1.61 3.76 -0.40 -4.94 115.29 115.16 1xsk s HIS 697 Ca 0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1xsk s HIS 697 Cb 0.00 -0.97 0.03 0.00 1.11 0.00 0.00 32.58 32.75 1xsk s HIS 697 CO 0.00 0.42 -0.12 -2.00 -0.85 0.00 0.00 174.74 172.19 1xsk s GLU 698 N -2.91 2.11 -0.20 1.40 2.12 -1.26 -1.38 118.70 118.58 1xsk s GLU 698 Ca 0.19 -0.60 -0.13 0.00 0.36 0.00 0.00 54.97 54.79 1xsk s GLU 698 Cb -0.06 -2.13 -0.05 0.00 0.26 0.00 0.00 34.13 32.15 1xsk s GLU 698 CO 0.08 -0.30 0.27 0.00 -0.54 0.00 0.00 175.26 174.77 1xsk s ALA 699 N 1.49 3.60 0.09 6.30 0.00 -0.74 -4.92 121.76 127.58 1xsk s ALA 699 Ca 0.03 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1xsk s ALA 699 Cb -0.14 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1xsk s ALA 699 CO -0.10 -0.08 -0.13 0.08 0.00 0.00 0.00 175.76 175.53 1xsk s VAL 700 N 0.84 3.18 -0.12 0.00 1.01 -1.26 -0.59 120.40 123.46 1xsk s VAL 700 Ca 0.14 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 1xsk s VAL 700 Cb -0.13 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.84 1xsk s VAL 700 CO 0.04 0.16 0.10 0.00 0.00 0.00 0.00 175.10 175.40 1xsk s GLU 702 N 2.18 2.84 -0.24 0.00 2.02 -1.26 -0.77 118.70 123.48 1xsk s GLU 702 Ca 0.04 -1.43 -0.29 0.00 0.02 0.00 0.00 54.97 53.31 1xsk s GLU 702 Cb -0.14 -4.02 0.01 0.00 0.10 0.00 0.00 34.13 30.07 1xsk s GLU 702 CO -0.07 -1.03 1.11 0.08 0.02 0.00 0.00 175.26 175.37 1xsk s VAL 703 N 1.56 4.53 0.56 2.63 1.01 0.97 -4.84 120.40 126.82 1xsk s VAL 703 Ca 0.04 1.83 -0.12 0.00 0.00 0.00 0.00 61.98 63.73 1xsk s VAL 703 Cb -0.24 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 1xsk s VAL 703 CO 0.05 -0.25 0.98 -2.16 0.00 0.00 0.00 175.10 173.71 1xsk s PRO 704 N 3.41 3.71 0.59 2.72 0.04 -1.26 -1.62 135.00 142.60 1xsk s PRO 704 Ca 0.47 0.74 0.04 0.00 0.04 0.00 0.00 61.00 62.29 1xsk s PRO 704 Cb -0.16 -2.15 0.11 0.00 0.04 0.00 0.00 34.50 32.35 1xsk s PRO 704 CO 0.11 -0.41 0.82 0.00 0.04 0.00 0.00 177.00 177.55 1xsk n ALA 705 N -2.26 0.58 0.06 8.56 0.00 0.50 -4.71 120.51 123.24 1xsk n ALA 705 Ca 0.05 -1.81 -0.11 0.00 0.00 0.00 0.00 53.44 51.58 1xsk n ALA 705 Cb 0.54 0.39 -0.04 0.00 0.00 0.00 0.00 19.45 20.33 1xsk n ALA 705 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsk h ALA 706 N -0.27 -0.27 0.00 0.00 0.00 -1.93 0.23 119.26 117.02 1xsk h ALA 706 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xsk h ALA 706 Cb 1.10 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xsk h ALA 706 CO 0.33 -0.70 0.00 -0.40 0.00 0.00 0.00 179.25 178.48 1xsk n ASP 707 N -5.33 0.00 0.00 0.00 5.68 -1.26 -4.84 116.55 110.80 1xsk n ASP 707 Ca -0.05 0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1xsk n ASP 707 Cb 0.25 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 1xsk n ASP 707 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsk n GLY 708 N -0.29 2.87 3.52 6.12 0.00 0.07 -5.07 105.19 112.41 1xsk n GLY 708 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1xsk n GLY 708 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsk n SER 709 N 0.00 -1.11 -4.67 1.61 3.41 -1.26 -4.17 113.62 107.43 1xsk n SER 709 Ca 0.00 0.37 -0.43 0.00 -0.26 0.00 0.00 58.87 58.55 1xsk n SER 709 Cb 0.00 -1.32 -0.02 0.00 -0.26 0.00 0.00 64.21 62.61 1xsk n SER 709 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xsk s VAL 710 N -2.49 4.55 -0.07 -3.33 1.01 -1.26 -0.37 120.40 118.44 1xsk s VAL 710 Ca 0.61 1.86 0.20 0.00 0.00 0.00 0.00 61.98 64.64 1xsk s VAL 710 Cb -0.22 -4.20 -0.30 0.00 0.00 0.00 0.00 36.38 31.67 1xsk s VAL 710 CO 0.64 -0.11 0.35 0.00 0.00 0.00 0.00 175.10 175.98 1xsk n ILE 711 N 5.08 0.34 -3.72 2.22 3.06 -0.64 -4.88 119.36 120.82 1xsk n ILE 711 Ca 0.12 -0.56 -0.13 0.00 -2.50 0.00 0.00 62.75 59.68 1xsk n ILE 711 Cb 0.46 -0.11 -0.10 0.00 0.54 0.00 0.00 39.64 40.44 1xsk n ILE 711 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 1xsk s PHE 712 N -3.18 -0.49 -0.10 9.51 5.36 -0.97 -1.30 117.98 126.82 1xsk s PHE 712 Ca -0.08 1.15 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 1xsk s PHE 712 Cb 0.11 0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.99 1xsk s PHE 712 CO 0.84 -0.24 -0.08 0.99 -1.46 0.00 0.00 175.22 175.26 1xsk s THR 713 N 0.45 1.02 -0.05 0.12 2.01 -1.11 -0.02 115.64 118.05 1xsk s THR 713 Ca -0.02 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.70 1xsk s THR 713 Cb -0.04 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1xsk s THR 713 CO -0.02 0.36 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.91 1xsk s LEU 714 N 1.43 2.77 -0.02 4.42 1.98 0.05 -1.77 118.68 127.54 1xsk s LEU 714 Ca -0.00 -0.19 0.02 0.00 -2.89 0.00 0.00 54.13 51.07 1xsk s LEU 714 Cb -0.13 -1.57 0.01 0.00 0.66 0.00 0.00 46.19 45.16 1xsk s LEU 714 CO -0.05 0.34 -0.07 -0.54 -1.89 0.00 0.00 176.35 174.14 1xsk s LYS 715 N -0.70 0.81 -0.35 1.98 1.02 -0.72 -0.24 119.74 121.54 1xsk s LYS 715 Ca 0.11 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 55.89 1xsk s LYS 715 Cb -0.11 -0.77 0.10 0.00 -0.52 0.00 0.00 37.83 36.53 1xsk s LYS 715 CO 0.01 0.07 0.08 0.00 -0.92 0.00 0.00 175.35 174.59 1xsk s ALA 716 N 0.28 2.63 -0.20 5.17 0.00 0.24 -1.56 121.76 128.32 1xsk s ALA 716 Ca -0.04 -2.42 -0.10 0.00 0.00 0.00 0.00 51.96 49.40 1xsk s ALA 716 Cb -0.09 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 1xsk s ALA 716 CO 0.00 -1.72 0.14 0.00 0.00 0.00 0.00 175.76 174.18 1xsk s ALA 717 N 0.95 3.68 -0.24 0.00 0.00 -0.71 -1.80 121.76 123.64 1xsk s ALA 717 Ca 0.11 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 1xsk s ALA 717 Cb -0.19 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1xsk s ALA 717 CO -0.11 0.15 0.05 0.50 0.00 0.00 0.00 175.76 176.35 1xsk s ARG 718 N 0.39 3.60 0.00 0.00 3.52 -0.48 0.44 118.95 126.43 1xsk s ARG 718 Ca 0.08 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1xsk s ARG 718 Cb -0.11 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1xsk s ARG 718 CO -0.02 -0.19 0.00 -2.37 -0.81 0.00 0.00 175.30 171.91 1xsk n THR 719 N 4.90 0.00 0.00 4.11 5.66 -0.48 0.08 114.28 128.55 1xsk n THR 719 Ca -0.17 0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1xsk n THR 719 Cb 0.51 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 1xsk n THR 719 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsk n GLY 720 N 2.33 0.00 0.00 1.09 0.00 -1.26 -3.17 105.19 104.18 1xsk n GLY 720 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xsk n GLY 720 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xsk n ASN 721 N -2.68 0.00 -4.37 1.61 5.15 -1.26 -4.88 115.26 108.83 1xsk n ASN 721 Ca 0.00 -0.63 -0.36 0.00 -0.60 0.00 0.00 54.58 52.99 1xsk n ASN 721 Cb 0.44 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.56 1xsk n ASN 721 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1xsk s THR 722 N 0.00 3.88 -0.32 -0.44 2.01 -1.26 -1.06 115.64 118.45 1xsk s THR 722 Ca 0.00 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1xsk s THR 722 Cb 0.00 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1xsk s THR 722 CO 0.00 0.31 0.19 0.27 -0.69 0.00 0.00 174.62 174.71 1xsk s ILE 723 N 1.54 4.97 -0.28 1.82 -4.36 -0.09 -1.38 121.20 123.42 1xsk s ILE 723 Ca 0.05 -0.25 -0.16 0.00 -0.26 0.00 0.00 60.65 60.03 1xsk s ILE 723 Cb -0.15 -3.52 -0.03 0.00 1.25 0.00 0.00 42.46 40.01 1xsk s ILE 723 CO 0.01 0.06 0.43 -0.89 0.24 0.00 0.00 174.94 174.79 1xsk s THR 724 N 1.68 5.12 -0.14 8.37 2.01 0.17 -2.18 115.64 130.67 1xsk s THR 724 Ca 0.06 0.62 -0.06 0.00 0.31 0.00 0.00 61.69 62.61 1xsk s THR 724 Cb -0.17 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1xsk s THR 724 CO 0.09 0.08 0.08 -0.69 -0.69 0.00 0.00 174.62 173.49 1xsk s VAL 725 N 2.18 4.96 0.00 3.82 1.01 -0.24 -1.74 120.40 130.40 1xsk s VAL 725 Ca 0.17 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1xsk s VAL 725 Cb -0.16 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1xsk s VAL 725 CO 0.10 0.55 -0.03 0.42 0.00 0.00 0.00 175.10 176.14 1xsk s THR 726 N -0.41 0.21 -0.05 3.92 -4.23 -0.60 -2.83 115.64 111.66 1xsk s THR 726 Ca 0.10 -0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.40 1xsk s THR 726 Cb -0.12 -0.21 -0.02 0.00 1.34 0.00 0.00 72.50 73.49 1xsk s THR 726 CO 0.02 -0.04 -0.20 -0.83 -0.54 0.00 0.00 174.62 173.03 1xsk s GLY 727 N -0.31 1.41 -0.29 3.99 0.00 -1.26 -1.76 107.32 109.09 1xsk s GLY 727 Ca -0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 1xsk s GLY 727 CO -0.00 -0.76 0.13 0.00 0.00 0.00 0.00 173.10 172.46 1xsk s ALA 728 N -0.53 0.66 0.00 3.20 0.00 -0.73 -5.02 121.76 119.35 1xsk s ALA 728 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1xsk s ALA 728 Cb -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1xsk s ALA 728 CO 0.01 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 174.54 1xsk n GLY 729 N 5.23 0.14 2.80 0.00 0.00 -1.26 -2.74 105.19 109.35 1xsk n GLY 729 Ca -0.06 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 1xsk n GLY 729 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsk s GLU 730 N 0.00 0.65 -0.30 1.61 2.12 -0.42 -4.99 118.70 117.37 1xsk s GLU 730 Ca 0.00 0.06 -0.13 0.00 0.36 0.00 0.00 54.97 55.26 1xsk s GLU 730 Cb 0.00 -0.94 0.16 0.00 0.26 0.00 0.00 34.13 33.61 1xsk s GLU 730 CO 0.00 -0.26 0.90 0.00 -0.54 0.00 0.00 175.26 175.37 1xsk s ALA 731 N 1.75 -2.59 0.29 6.30 0.00 -1.26 -4.46 121.76 121.79 1xsk s ALA 731 Ca 0.02 2.08 0.03 0.00 0.00 0.00 0.00 51.96 54.08 1xsk s ALA 731 Cb -0.13 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1xsk s ALA 731 CO -0.04 -0.99 0.44 0.15 0.00 0.00 0.00 175.76 175.32 1xsk s LYS 732 N 2.59 3.44 -0.06 0.00 3.01 -1.08 -4.78 119.74 122.86 1xsk s LYS 732 Ca -0.02 -0.59 -0.05 0.00 -1.01 0.00 0.00 55.97 54.29 1xsk s LYS 732 Cb -0.08 -2.79 0.01 0.00 -1.01 0.00 0.00 37.83 33.96 1xsk s LYS 732 CO -0.18 0.29 0.09 -1.71 0.51 0.00 0.00 175.35 174.36 1xsk n ASN 733 N -1.58 -1.11 -4.30 2.83 2.85 -1.26 -2.50 115.26 110.18 1xsk n ASN 733 Ca -0.07 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.24 1xsk n ASN 733 Cb 0.57 -0.30 -0.10 0.00 1.24 0.00 0.00 39.78 41.18 1xsk n ASN 733 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1xsk s TRP 734 N -0.25 1.46 0.37 1.20 1.48 -1.26 -1.28 118.94 120.66 1xsk s TRP 734 Ca 0.05 -0.92 0.05 0.00 -1.06 0.00 0.00 56.10 54.23 1xsk s TRP 734 Cb -0.01 -0.83 -0.03 0.00 -1.16 0.00 0.00 33.47 31.45 1xsk s TRP 734 CO 0.12 -0.05 0.18 0.95 -4.06 0.00 0.00 176.95 174.09 1xsk s THR 735 N -3.45 0.35 -0.13 0.66 -4.23 -0.83 -4.30 115.64 103.71 1xsk s THR 735 Ca 0.26 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.72 1xsk s THR 735 Cb 0.05 -2.40 0.06 0.00 1.34 0.00 0.00 72.50 71.56 1xsk s THR 735 CO 0.07 0.00 0.27 -0.22 -0.54 0.00 0.00 174.62 174.20 1xsk s LEU 736 N -3.51 -0.26 -0.19 4.79 1.98 -0.82 -1.54 118.68 119.14 1xsk s LEU 736 Ca 0.30 0.62 -0.09 0.00 -2.89 0.00 0.00 54.13 52.06 1xsk s LEU 736 Cb 0.02 0.75 -0.05 0.00 0.66 0.00 0.00 46.19 47.58 1xsk s LEU 736 CO 0.19 -0.23 0.13 0.00 -1.89 0.00 0.00 176.35 174.55 1xsk s LEU 738 N 0.12 5.38 0.01 0.00 1.43 0.15 -1.71 118.68 124.05 1xsk s LEU 738 Ca 0.09 -2.46 -0.39 0.00 -1.03 0.00 0.00 54.13 50.35 1xsk s LEU 738 Cb -0.11 -2.36 -0.18 0.00 0.03 0.00 0.00 46.19 43.57 1xsk s LEU 738 CO -0.01 -0.87 1.26 -1.14 0.23 0.00 0.00 176.35 175.82 1xsk n ARG 739 N 5.74 0.65 -1.53 1.70 3.00 -1.08 -1.18 116.66 123.95 1xsk n ARG 739 Ca 0.26 0.24 -0.18 0.00 -0.00 0.00 0.00 57.85 58.16 1xsk n ARG 739 Cb 0.47 -1.82 -0.08 0.00 0.00 0.00 0.00 32.46 31.03 1xsk n ARG 739 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1xsk n ASN 740 N 2.32 -4.71 -4.17 6.15 3.02 0.35 -4.73 115.26 113.49 1xsk n ASN 740 Ca 0.20 0.44 -0.38 0.00 -0.03 0.00 0.00 54.58 54.81 1xsk n ASN 740 Cb 0.13 -4.23 -0.11 0.00 -0.61 0.00 0.00 39.78 34.97 1xsk n ASN 740 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xsk s VAL 741 N -2.52 3.65 0.00 2.41 1.01 -0.32 -5.00 120.40 119.63 1xsk s VAL 741 Ca 0.00 -1.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.01 1xsk s VAL 741 Cb 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 1xsk s VAL 741 CO 0.00 -0.62 0.91 -0.37 0.00 0.00 0.00 175.10 175.01 1xsk h VAL 742 N 6.27 0.00 -3.24 2.92 -1.51 -1.92 -0.00 116.25 118.77 1xsk h VAL 742 Ca -0.17 -0.22 -0.47 0.00 -1.23 0.00 0.00 66.70 64.60 1xsk h VAL 742 Cb 1.06 0.00 -0.38 0.00 -2.13 0.00 0.00 31.29 29.84 1xsk h VAL 742 CO 0.73 0.00 -0.78 -0.75 -1.23 0.00 0.00 177.57 175.54 1xsk s LYS 743 N -3.73 0.90 0.38 5.19 2.20 -1.26 -4.43 119.74 118.99 1xsk s LYS 743 Ca -0.09 -0.05 0.07 0.00 -0.36 0.00 0.00 55.97 55.55 1xsk s LYS 743 Cb 0.01 -1.25 -0.00 0.00 -1.51 0.00 0.00 37.83 35.08 1xsk s LYS 743 CO 0.26 -0.32 0.50 0.54 -0.36 0.00 0.00 175.35 175.98 1xsk s VAL 744 N 1.88 3.40 0.00 4.02 0.11 -1.26 -4.75 120.40 123.79 1xsk s VAL 744 Ca 0.05 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.05 1xsk s VAL 744 Cb -0.13 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 1xsk s VAL 744 CO -0.06 -0.07 0.00 -3.20 -3.33 0.00 0.00 175.10 168.44 1xsk n ASN 745 N -1.73 0.00 -4.47 3.54 5.15 -0.53 -4.96 115.26 112.26 1xsk n ASN 745 Ca 0.04 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.74 1xsk n ASN 745 Cb 0.59 0.00 0.22 0.00 -0.53 0.00 0.00 39.78 40.06 1xsk n ASN 745 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1xsk s GLY 746 N 0.00 1.54 -0.17 8.20 0.00 -1.18 -4.84 107.32 110.87 1xsk s GLY 746 Ca 0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 44.72 44.06 1xsk s GLY 746 CO 0.00 0.33 0.72 -2.27 0.00 0.00 0.00 173.10 171.88 1xsk s LEU 747 N -6.88 -0.69 0.06 0.66 0.20 -1.25 -2.27 118.68 108.50 1xsk s LEU 747 Ca 0.67 1.09 0.09 0.00 0.69 0.00 0.00 54.13 56.67 1xsk s LEU 747 Cb -0.20 2.47 -0.03 0.00 -0.43 0.00 0.00 46.19 47.99 1xsk s LEU 747 CO 0.60 -0.41 -0.26 -1.10 -0.29 0.00 0.00 176.35 174.90 1xsk s GLN 748 N -0.35 1.69 -0.96 1.98 -1.52 0.31 -4.81 119.66 116.00 1xsk s GLN 748 Ca -0.05 -1.14 -0.01 0.00 -1.95 0.00 0.00 55.36 52.21 1xsk s GLN 748 Cb -0.03 -1.92 0.01 0.00 -0.22 0.00 0.00 33.01 30.85 1xsk s GLN 748 CO 0.05 0.49 0.02 -0.25 -0.25 0.00 0.00 175.29 175.35 1xsk n ASP 749 N 1.62 0.50 -3.63 5.90 9.92 -1.26 -3.35 116.55 126.24 1xsk n ASP 749 Ca -0.17 -0.78 -0.07 0.00 -0.53 0.00 0.00 54.79 53.24 1xsk n ASP 749 Cb 0.52 -0.98 -0.06 0.00 -0.64 0.00 0.00 41.12 39.96 1xsk n ASP 749 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xsk s GLY 750 N -3.77 0.01 0.36 0.44 0.00 -1.26 -2.93 107.32 100.17 1xsk s GLY 750 Ca 0.03 2.85 -0.02 0.00 0.00 0.00 0.00 44.72 47.58 1xsk s GLY 750 CO 0.61 1.66 0.59 -1.35 0.00 0.00 0.00 173.10 174.62 1xsk s SER 751 N -0.18 6.32 0.28 1.64 1.04 -0.41 -4.84 113.70 117.56 1xsk s SER 751 Ca 0.04 0.60 0.05 0.00 0.48 0.00 0.00 55.95 57.12 1xsk s SER 751 Cb -0.04 -2.10 -0.06 0.00 0.10 0.00 0.00 66.02 63.92 1xsk s SER 751 CO -0.08 -0.33 -0.01 0.00 0.98 0.00 0.00 173.24 173.81 1xsk s GLN 752 N -4.22 1.54 -0.02 4.02 -2.07 -1.26 0.95 119.66 118.60 1xsk s GLN 752 Ca 0.42 -1.81 -0.29 0.00 -1.82 0.00 0.00 55.36 51.87 1xsk s GLN 752 Cb -0.10 -0.94 0.10 0.00 -1.09 0.00 0.00 33.01 30.99 1xsk s GLN 752 CO 0.36 -0.07 0.88 0.00 -1.32 0.00 0.00 175.29 175.14 1xsk s ALA 753 N -3.20 -1.83 0.80 2.60 0.00 -0.74 -4.97 121.76 114.43 1xsk s ALA 753 Ca 0.32 1.09 -0.08 0.00 0.00 0.00 0.00 51.96 53.29 1xsk s ALA 753 Cb 0.06 0.24 0.13 0.00 0.00 0.00 0.00 23.12 23.55 1xsk s ALA 753 CO 0.12 -0.62 1.12 -1.21 0.00 0.00 0.00 175.76 175.18 1xsk s GLU 754 N -2.74 1.46 0.00 0.00 2.02 -1.26 0.11 118.70 118.28 1xsk s GLU 754 Ca 0.03 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1xsk s GLU 754 Cb -0.01 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1xsk s GLU 754 CO -0.07 -1.73 0.00 -1.13 0.02 0.00 0.00 175.26 172.35 1xsk n SER 755 N -3.19 0.00 0.00 -0.19 3.41 -1.25 -4.65 113.62 107.75 1xsk n SER 755 Ca 0.13 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.76 1xsk n SER 755 Cb 0.60 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.64 1xsk n SER 755 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1xsk n GLU 756 N -0.05 0.33 -0.00 4.33 0.28 -1.26 -1.83 120.64 122.44 1xsk n GLU 756 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 1xsk n GLU 756 Cb 0.00 -1.15 -0.01 0.00 1.43 0.00 0.00 31.44 31.71 1xsk n GLU 756 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1xsk n GLN 757 N -0.65 4.22 0.00 3.44 6.02 -1.26 -5.00 117.38 124.14 1xsk n GLN 757 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1xsk n GLN 757 Cb 0.01 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 30.53 1xsk n GLN 757 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsk n GLY 758 N 1.51 4.20 3.57 1.08 0.00 -0.76 -0.50 105.19 114.29 1xsk n GLY 758 Ca 0.00 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 44.11 1xsk n GLY 758 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsk n LEU 759 N 0.00 1.52 -4.12 0.99 7.94 -0.02 -3.93 117.00 119.39 1xsk n LEU 759 Ca 0.00 1.17 -0.35 0.00 -1.11 0.00 0.00 56.01 55.72 1xsk n LEU 759 Cb 0.00 -1.25 -0.13 0.00 0.53 0.00 0.00 43.42 42.57 1xsk n LEU 759 CO 0.00 -1.51 -0.26 -0.69 -1.11 0.00 0.00 177.39 173.82 1xsk s VAL 760 N -0.92 3.00 0.10 1.96 1.01 0.29 0.32 120.40 126.16 1xsk s VAL 760 Ca 0.61 -1.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.48 1xsk s VAL 760 Cb -0.74 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1xsk s VAL 760 CO 0.58 -0.48 0.65 -0.69 0.00 0.00 0.00 175.10 175.16 1xsk s VAL 761 N 1.13 4.62 -0.25 2.92 1.01 0.21 -1.80 120.40 128.25 1xsk s VAL 761 Ca 0.04 1.41 -0.04 0.00 0.00 0.00 0.00 61.98 63.40 1xsk s VAL 761 Cb -0.21 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.18 1xsk s VAL 761 CO -0.04 0.53 -0.02 -0.75 0.00 0.00 0.00 175.10 174.81 1xsk s LYS 762 N -1.01 3.13 1.18 2.72 2.47 0.27 -1.94 119.74 126.56 1xsk s LYS 762 Ca 0.32 -0.80 -0.16 0.00 -1.56 0.00 0.00 55.97 53.77 1xsk s LYS 762 Cb -0.21 -3.08 0.28 0.00 -1.46 0.00 0.00 37.83 33.36 1xsk s LYS 762 CO 0.22 -0.32 1.05 -1.25 0.16 0.00 0.00 175.35 175.20 1xsk s PRO 763 N 1.43 -1.03 0.00 4.03 0.04 -1.26 -1.29 135.00 136.92 1xsk s PRO 763 Ca 0.03 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1xsk s PRO 763 Cb -0.16 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1xsk s PRO 763 CO -0.03 -3.68 0.00 0.00 0.04 0.00 0.00 177.00 173.33 1xsk n GLN 764 N -4.82 0.00 -0.90 4.56 10.64 -1.15 -4.76 117.38 120.95 1xsk n GLN 764 Ca 0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 1xsk n GLN 764 Cb 0.58 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.96 1xsk n GLN 764 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xsk n GLY 765 N 0.00 -1.73 2.49 2.61 0.00 -1.26 -4.47 105.19 102.82 1xsk n GLY 765 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1xsk n GLY 765 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsk n ASN 766 N 0.00 -2.57 0.00 1.61 3.02 -1.26 -3.99 115.26 112.08 1xsk n ASN 766 Ca 0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1xsk n ASN 766 Cb 0.00 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1xsk n ASN 766 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsk n ALA 767 N -3.69 0.00 -1.54 5.41 0.00 -1.13 -4.95 120.51 114.61 1xsk n ALA 767 Ca -0.07 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.82 1xsk n ALA 767 Cb 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 1xsk n ALA 767 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xsk n LEU 768 N 0.00 0.76 -4.19 0.00 0.00 -1.13 -4.68 117.00 107.76 1xsk n LEU 768 Ca 0.00 1.14 -0.28 0.00 0.00 0.00 0.00 56.01 56.87 1xsk n LEU 768 Cb 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 43.42 42.21 1xsk n LEU 768 CO 0.00 -1.52 -0.53 -0.89 0.00 0.00 0.00 177.39 174.46 1xsk s THR 769 N 0.21 1.64 -0.11 1.96 2.01 -1.21 -1.08 115.64 119.05 1xsk s THR 769 Ca 0.87 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 62.03 1xsk s THR 769 Cb -1.12 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 70.02 1xsk s THR 769 CO 0.52 0.47 -0.13 -0.63 -0.69 0.00 0.00 174.62 174.15 1xsk s ILE 770 N -0.15 1.40 -0.27 1.82 1.01 -0.93 0.11 121.20 124.19 1xsk s ILE 770 Ca -0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 1xsk s ILE 770 Cb -0.11 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 1xsk s ILE 770 CO 0.02 0.42 0.08 0.42 0.00 0.00 0.00 174.94 175.88 1xsk s THR 771 N 1.19 4.17 0.00 2.92 -4.23 -0.96 -0.92 115.64 117.81 1xsk s THR 771 Ca -0.03 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1xsk s THR 771 Cb -0.14 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1xsk s THR 771 CO -0.04 0.20 0.00 0.18 -0.54 0.00 0.00 174.62 174.42 1xsk n LEU 772 N 4.90 0.00 -0.23 4.79 4.77 -0.22 -1.46 117.00 129.56 1xsk n LEU 772 Ca -0.15 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.86 1xsk n LEU 772 Cb 0.50 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1xsk n LEU 772 CO 0.31 -0.81 0.34 0.00 -1.33 0.00 0.00 177.39 175.91