#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 3.71 -0.19 2.12 -0.14 -1.26 -4.86 119.74 119.13 1xsk s LYS 2 Ca 0.00 1.80 -0.17 0.00 -1.36 0.00 0.00 55.97 56.23 1xsk s LYS 2 Cb 0.00 -4.11 -0.07 0.00 -1.68 0.00 0.00 37.83 31.98 1xsk s LYS 2 CO 0.00 -1.40 -0.35 -0.89 -0.76 0.00 0.00 175.35 171.95 1xsk n ILE 3 N 6.56 1.50 -2.13 2.17 5.41 -1.26 -4.85 119.36 126.76 1xsk n ILE 3 Ca 0.21 0.09 -0.28 0.00 1.00 0.00 0.00 62.75 63.76 1xsk n ILE 3 Cb 0.45 -2.29 0.05 0.00 -0.71 0.00 0.00 39.64 37.14 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 -6.08 5.23 -0.54 4.38 1.04 -1.26 -1.74 113.70 114.73 1xsk s SER 4 Ca -0.30 0.79 0.04 0.00 0.48 0.00 0.00 55.95 56.97 1xsk s SER 4 Cb 0.05 -1.58 0.16 0.00 0.10 0.00 0.00 66.02 64.75 1xsk s SER 4 CO 0.43 -1.38 0.39 -0.62 0.98 0.00 0.00 173.24 173.04 1xsk s ASP 5 N -4.41 3.23 0.00 7.02 2.15 -0.67 -4.48 116.67 119.51 1xsk s ASP 5 Ca 0.58 -3.34 0.00 0.00 0.43 0.00 0.00 52.55 50.22 1xsk s ASP 5 Cb -0.11 -1.04 0.00 0.00 -0.30 0.00 0.00 42.92 41.47 1xsk s ASP 5 CO 0.48 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.94 1xsk n GLY 6 N 2.57 -2.52 0.12 2.66 0.00 -1.26 -2.89 105.19 103.87 1xsk n GLY 6 Ca 0.22 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 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 0.06 0.59 1.61 -1.24 -1.97 -3.35 115.58 111.28 1xsk h ASN 7 Ca 0.00 -0.04 -0.24 0.00 0.71 0.00 0.00 56.30 56.73 1xsk h ASN 7 Cb 0.00 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 38.99 1xsk h ASN 7 CO 0.00 0.78 -1.57 -0.50 -1.29 0.00 0.00 177.43 174.84 1xsk h TRP 8 N 0.03 0.00 -4.64 0.67 -0.00 -2.03 -3.49 115.95 106.49 1xsk h TRP 8 Ca -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 58.89 58.48 1xsk h TRP 8 Cb 1.31 0.00 -0.08 0.00 -0.00 0.00 0.00 29.16 30.39 1xsk h TRP 8 CO 0.01 0.83 -0.29 1.28 -0.00 0.00 0.00 178.44 180.26 1xsk n LEU 9 N -2.99 0.00 -4.22 -4.49 4.77 -1.14 -5.04 117.00 103.89 1xsk n LEU 9 Ca -0.14 -1.94 -0.15 0.00 -0.03 0.00 0.00 56.01 53.75 1xsk n LEU 9 Cb 0.96 0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 42.17 1xsk n LEU 9 CO 0.44 -0.27 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.17 1xsk s ILE 10 N -2.12 1.13 0.23 -0.08 1.01 -1.26 -1.68 121.20 118.43 1xsk s ILE 10 Ca 0.00 -1.80 -0.30 0.00 0.00 0.00 0.00 60.65 58.55 1xsk s ILE 10 Cb 0.00 -1.56 -0.10 0.00 0.01 0.00 0.00 42.46 40.81 1xsk s ILE 10 CO 0.00 -0.57 1.48 -1.10 0.00 0.00 0.00 174.94 174.75 1xsk s GLN 11 N -3.05 4.25 0.23 2.79 -1.52 -0.71 -4.56 119.66 117.09 1xsk s GLN 11 Ca 0.10 2.33 -0.31 0.00 -1.95 0.00 0.00 55.36 55.53 1xsk s GLN 11 Cb -0.02 -3.12 -0.14 0.00 -0.22 0.00 0.00 33.01 29.51 1xsk s GLN 11 CO 0.01 -0.48 1.21 -2.30 -0.25 0.00 0.00 175.29 173.48 1xsk n PRO 12 N 2.79 1.55 -0.48 2.91 -0.02 -1.26 -1.69 135.00 138.80 1xsk n PRO 12 Ca 0.09 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1xsk n PRO 12 Cb 0.40 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 1.79 1.52 3.75 -1.23 0.00 -1.26 -4.89 105.19 104.88 1xsk n GLY 13 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 4.25 -0.25 0.99 1.43 -0.68 -0.57 118.68 123.85 1xsk s LEU 14 Ca 0.00 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1xsk s LEU 14 Cb 0.00 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 44.11 1xsk s LEU 14 CO 0.00 0.20 -0.08 0.20 0.23 0.00 0.00 176.35 176.90 1xsk s ASN 15 N 0.14 4.25 -0.02 2.29 0.01 -0.60 -4.88 114.94 116.12 1xsk s ASN 15 Ca 0.11 -0.98 -0.00 0.00 -0.71 0.00 0.00 52.86 51.28 1xsk s ASN 15 Cb -0.12 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.88 1xsk s ASN 15 CO 0.00 -0.14 0.04 -0.76 -1.51 0.00 0.00 177.10 174.73 1xsk s LEU 16 N 1.27 3.70 -0.03 0.60 1.43 -1.26 -1.41 118.68 122.98 1xsk s LEU 16 Ca -0.01 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1xsk s LEU 16 Cb -0.17 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1xsk s LEU 16 CO -0.05 0.30 -0.04 0.27 0.23 0.00 0.00 176.35 177.05 1xsk s ILE 17 N -1.09 0.48 0.12 -0.59 -4.36 -0.92 -5.00 121.20 109.84 1xsk s ILE 17 Ca 0.20 -0.13 0.08 0.00 -0.26 0.00 0.00 60.65 60.53 1xsk s ILE 17 Cb -0.12 -0.49 -0.04 0.00 1.25 0.00 0.00 42.46 43.07 1xsk s ILE 17 CO 0.10 0.19 -0.20 -1.00 0.24 0.00 0.00 174.94 174.28 1xsk s HIS 18 N 0.65 1.78 -0.42 1.37 3.76 -1.26 -0.97 115.29 120.19 1xsk s HIS 18 Ca -0.08 -0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 1xsk s HIS 18 Cb -0.11 -0.94 0.02 0.00 1.11 0.00 0.00 32.58 32.65 1xsk s HIS 18 CO -0.00 0.24 1.25 -1.25 -0.85 0.00 0.00 174.74 174.13 1xsk s PRO 19 N -2.24 3.72 0.00 8.40 0.04 -1.26 -3.73 135.00 139.92 1xsk s PRO 19 Ca 0.10 0.81 0.15 0.00 0.04 0.00 0.00 61.00 62.10 1xsk s PRO 19 Cb -0.08 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.47 1xsk s PRO 19 CO 0.05 -1.38 0.78 1.28 0.04 0.00 0.00 177.00 177.77 1xsk n LEU 20 N 8.08 1.34 -3.65 -3.56 4.77 0.13 -4.65 117.00 119.47 1xsk n LEU 20 Ca 0.14 -0.69 -0.12 0.00 -0.03 0.00 0.00 56.01 55.31 1xsk n LEU 20 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1xsk n LEU 20 CO 0.69 0.27 0.35 -1.58 -1.33 0.00 0.00 177.39 175.80 1xsk s GLN 21 N -2.02 0.76 0.19 3.23 0.74 -0.69 -4.15 119.66 117.72 1xsk s GLN 21 Ca 0.11 0.99 -0.30 0.00 0.05 0.00 0.00 55.36 56.21 1xsk s GLN 21 Cb 0.12 0.32 -0.08 0.00 1.10 0.00 0.00 33.01 34.47 1xsk s GLN 21 CO 0.46 -0.11 1.21 0.08 -0.55 0.00 0.00 175.29 176.38 1xsk s VAL 22 N 0.66 3.52 -0.18 1.34 1.01 -1.26 0.06 120.40 125.55 1xsk s VAL 22 Ca -0.02 1.28 -0.07 0.00 0.00 0.00 0.00 61.98 63.17 1xsk s VAL 22 Cb -0.05 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 1xsk s VAL 22 CO -0.04 0.21 -0.22 0.33 0.00 0.00 0.00 175.10 175.38 1xsk n PHE 23 N 2.47 0.00 -3.85 5.22 7.35 0.56 -4.75 117.46 124.46 1xsk n PHE 23 Ca 0.04 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.63 1xsk n PHE 23 Cb 0.44 -0.65 -0.08 0.00 0.35 0.00 0.00 39.48 39.54 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 -2.33 0.71 -0.08 -4.13 2.12 -1.10 -5.02 118.70 108.87 1xsk s GLU 24 Ca -0.25 -0.68 -0.01 0.00 0.36 0.00 0.00 54.97 54.39 1xsk s GLU 24 Cb 0.09 0.29 0.03 0.00 0.26 0.00 0.00 34.13 34.80 1xsk s GLU 24 CO 0.33 -0.21 0.01 0.08 -0.54 0.00 0.00 175.26 174.93 1xsk s VAL 25 N -2.75 0.35 0.11 3.70 1.01 -1.26 -0.94 120.40 120.62 1xsk s VAL 25 Ca -0.04 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.15 1xsk s VAL 25 Cb -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1xsk s VAL 25 CO -0.05 0.23 -0.25 -0.70 0.00 0.00 0.00 175.10 174.34 1xsk s GLU 26 N 1.98 1.34 -0.15 2.72 2.12 0.83 -5.00 118.70 122.54 1xsk s GLU 26 Ca 0.05 -1.25 -0.02 0.00 0.36 0.00 0.00 54.97 54.11 1xsk s GLU 26 Cb -0.12 -1.72 -0.02 0.00 0.26 0.00 0.00 34.13 32.53 1xsk s GLU 26 CO -0.05 0.41 -0.10 -1.14 -0.54 0.00 0.00 175.26 173.84 1xsk s GLN 27 N -1.90 3.46 -0.52 4.30 0.74 -1.26 -0.07 119.66 124.40 1xsk s GLN 27 Ca 0.11 -0.63 0.04 0.00 0.05 0.00 0.00 55.36 54.92 1xsk s GLN 27 Cb -0.10 -2.75 0.14 0.00 1.10 0.00 0.00 33.01 31.40 1xsk s GLN 27 CO 0.05 0.17 0.29 -0.65 -0.55 0.00 0.00 175.29 174.60 1xsk s GLN 28 N 0.50 1.83 6.04 1.67 -0.21 0.70 -4.99 119.66 125.20 1xsk s GLN 28 Ca -0.07 -2.55 0.00 0.00 0.02 0.00 0.00 55.36 52.76 1xsk s GLN 28 Cb -0.15 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.86 1xsk s GLN 28 CO 0.04 -1.16 0.00 -0.25 -2.12 0.00 0.00 175.29 171.80 1xsk n ASP 29 N 3.04 0.00 -1.29 5.90 8.00 -1.26 -1.74 116.55 129.20 1xsk n ASP 29 Ca 0.09 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.70 1xsk n ASP 29 Cb 0.34 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.74 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 11.10 3.92 -4.28 -2.24 0.23 -1.26 -4.94 115.26 117.79 1xsk n ASN 30 Ca 0.00 -2.06 -0.31 0.00 -0.53 0.00 0.00 54.58 51.69 1xsk n ASN 30 Cb 0.00 -0.47 -0.16 0.00 -2.08 0.00 0.00 39.78 37.07 1xsk n ASN 30 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1xsk s GLU 31 N -1.11 2.24 -0.23 -3.83 2.02 -0.71 -4.67 118.70 112.41 1xsk s GLU 31 Ca 0.46 -0.90 -0.08 0.00 0.02 0.00 0.00 54.97 54.47 1xsk s GLU 31 Cb 0.25 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 1xsk s GLU 31 CO 0.30 0.47 0.08 1.41 0.02 0.00 0.00 175.26 177.55 1xsk s MET 32 N -0.41 3.81 -0.15 1.61 -2.45 -0.43 -0.21 119.30 121.07 1xsk s MET 32 Ca 0.04 -0.41 -0.02 0.00 -1.25 0.00 0.00 55.69 54.05 1xsk s MET 32 Cb -0.11 -3.33 -0.02 0.00 1.25 0.00 0.00 34.83 32.61 1xsk s MET 32 CO 0.01 -0.02 -0.07 0.08 1.05 0.00 0.00 175.02 176.07 1xsk s VAL 33 N 1.18 3.57 -0.12 10.11 1.01 0.90 -0.42 120.40 136.62 1xsk s VAL 33 Ca 0.05 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1xsk s VAL 33 Cb -0.14 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1xsk s VAL 33 CO 0.04 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 174.74 1xsk s VAL 34 N 0.42 1.91 -0.21 2.92 1.01 0.31 -0.12 120.40 126.64 1xsk s VAL 34 Ca -0.06 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 1xsk s VAL 34 Cb -0.15 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1xsk s VAL 34 CO 0.04 0.52 0.09 -0.31 0.00 0.00 0.00 175.10 175.44 1xsk s TYR 35 N 0.75 3.23 0.02 5.22 2.02 -0.11 -0.73 117.35 127.74 1xsk s TYR 35 Ca -0.10 0.01 0.05 0.00 -0.37 0.00 0.00 57.07 56.67 1xsk s TYR 35 Cb -0.16 -2.17 -0.02 0.00 -0.40 0.00 0.00 41.96 39.21 1xsk s TYR 35 CO 0.01 0.01 -0.16 0.00 -1.57 0.00 0.00 175.55 173.83 1xsk s ALA 36 N 0.87 1.37 0.08 3.71 0.00 -0.48 -0.32 121.76 126.98 1xsk s ALA 36 Ca 0.05 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1xsk s ALA 36 Cb -0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1xsk s ALA 36 CO 0.03 0.30 0.20 0.00 0.00 0.00 0.00 175.76 176.29 1xsk s ALA 37 N -0.63 3.91 -1.54 0.00 0.00 0.11 -1.60 121.76 122.03 1xsk s ALA 37 Ca 0.05 -0.92 0.24 0.00 0.00 0.00 0.00 51.96 51.33 1xsk s ALA 37 Cb -0.07 -1.74 1.24 0.00 0.00 0.00 0.00 23.12 22.54 1xsk s ALA 37 CO 0.01 0.75 1.78 -2.30 0.00 0.00 0.00 175.76 176.00 1xsk n PRO 38 N 0.13 0.41 -3.88 0.00 -0.02 -1.24 0.22 135.00 130.62 1xsk n PRO 38 Ca -0.06 0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.38 1xsk n PRO 38 Cb 0.52 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 -2.46 2.01 -0.13 -0.52 1.70 -1.26 -4.56 118.95 113.72 1xsk s ARG 39 Ca 0.25 -1.36 -0.29 0.00 -0.47 0.00 0.00 55.73 53.86 1xsk s ARG 39 Cb 0.16 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 35.06 1xsk s ARG 39 CO 0.34 -0.91 1.89 0.34 -1.08 0.00 0.00 175.30 175.88 1xsk s ASP 40 N -3.05 6.17 -0.18 -2.89 -1.08 -1.26 -4.70 116.67 109.68 1xsk s ASP 40 Ca 0.17 2.06 0.13 0.00 -0.52 0.00 0.00 52.55 54.40 1xsk s ASP 40 Cb -0.04 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.32 1xsk s ASP 40 CO 0.11 -1.36 1.21 1.33 0.52 0.00 0.00 175.17 176.98 1xsk n VAL 41 N 6.44 1.85 0.25 1.11 0.24 -1.26 -4.74 118.33 122.22 1xsk n VAL 41 Ca 0.22 -2.90 0.10 0.00 -2.04 0.00 0.00 64.34 59.71 1xsk n VAL 41 Cb 0.44 -0.05 0.66 0.00 -1.47 0.00 0.00 33.84 33.41 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 1.04 0.00 -6.06 7.34 3.08 -1.96 -3.43 114.38 114.39 1xsk h ARG 42 Ca -0.03 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.42 1xsk h ARG 42 Cb 1.16 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 1xsk h ARG 42 CO 0.04 0.12 -0.33 -1.21 -1.07 0.00 0.00 179.97 177.51 1xsk s GLU 43 N -4.53 3.63 0.45 0.04 2.02 -1.26 -4.99 118.70 114.06 1xsk s GLU 43 Ca -0.04 -0.04 0.22 0.00 0.02 0.00 0.00 54.97 55.13 1xsk s GLU 43 Cb 0.15 -2.97 1.07 0.00 0.10 0.00 0.00 34.13 32.48 1xsk s GLU 43 CO 0.63 0.55 1.92 0.00 0.02 0.00 0.00 175.26 178.39 1xsk h ARG 44 N 3.40 0.00 0.00 1.61 3.08 -1.97 -2.31 114.38 118.19 1xsk h ARG 44 Ca -0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 1xsk h ARG 44 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1xsk h ARG 44 CO 0.69 0.23 -0.06 0.00 -1.07 0.00 0.00 179.97 179.76 1xsk h THR 45 N 0.00 0.63 -0.01 2.04 1.03 -1.94 -2.20 112.91 112.46 1xsk h THR 45 Ca -0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1xsk h THR 45 Cb 0.56 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 1xsk h THR 45 CO 0.03 0.06 -0.50 0.79 -0.01 0.00 0.00 175.52 175.89 1xsk n TRP 46 N -3.85 0.00 -0.51 0.00 7.02 -0.89 -4.62 117.44 114.58 1xsk n TRP 46 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.43 1xsk n TRP 46 Cb 0.16 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.01 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 -0.46 1.03 -3.60 -0.99 6.02 -0.83 -4.72 117.38 113.83 1xsk n GLN 47 Ca 0.06 -0.23 -0.06 0.00 -0.01 0.00 0.00 57.00 56.77 1xsk n GLN 47 Cb 0.35 -1.33 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 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 0.00 -0.26 -1.32 1.08 2.34 -1.26 -4.99 118.68 114.26 1xsk s LEU 48 Ca 0.15 -0.15 -0.00 0.00 0.06 0.00 0.00 54.13 54.19 1xsk s LEU 48 Cb 0.07 1.99 -0.00 0.00 -0.56 0.00 0.00 46.19 47.69 1xsk s LEU 48 CO 0.00 -0.67 0.67 0.47 -1.06 0.00 0.00 176.35 175.75 1xsk n ASP 49 N -0.33 -1.04 -3.63 1.48 8.00 -1.26 -4.99 116.55 114.77 1xsk n ASP 49 Ca -0.07 -0.84 -0.15 0.00 0.71 0.00 0.00 54.79 54.44 1xsk n ASP 49 Cb 0.61 -3.95 -0.07 0.00 -0.02 0.00 0.00 41.12 37.69 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 -3.70 0.00 0.76 -3.53 -1.32 -1.26 -5.16 115.64 101.43 1xsk s THR 50 Ca 0.00 -0.03 -0.13 0.00 -1.21 0.00 0.00 61.69 60.32 1xsk s THR 50 Cb -0.00 -0.90 0.06 0.00 -1.51 0.00 0.00 72.50 70.15 1xsk s THR 50 CO 0.82 -0.01 1.15 -2.84 -2.21 0.00 0.00 174.62 171.52 1xsk s PRO 51 N -0.07 2.09 -0.13 7.08 0.02 -1.26 -5.04 135.00 137.69 1xsk s PRO 51 Ca -0.03 1.50 -0.04 0.00 0.02 0.00 0.00 61.00 62.46 1xsk s PRO 51 Cb -0.04 -1.85 0.06 0.00 0.02 0.00 0.00 34.50 32.69 1xsk s PRO 51 CO 0.03 -1.82 0.15 -1.17 -0.33 0.00 0.00 177.00 173.86 1xsk s LEU 52 N -5.55 0.03 -0.01 -5.54 1.98 -1.26 -4.23 118.68 104.09 1xsk s LEU 52 Ca 0.68 -0.04 -0.25 0.00 -2.89 0.00 0.00 54.13 51.64 1xsk s LEU 52 Cb -0.23 0.15 -0.04 0.00 0.66 0.00 0.00 46.19 46.72 1xsk s LEU 52 CO 0.49 -0.29 0.76 -0.36 -1.89 0.00 0.00 176.35 175.06 1xsk s PHE 53 N 2.26 3.66 -0.34 5.38 0.40 -0.62 -4.85 117.98 123.85 1xsk s PHE 53 Ca 0.04 1.40 -0.09 0.00 -0.60 0.00 0.00 56.93 57.68 1xsk s PHE 53 Cb -0.14 -2.84 0.03 0.00 0.51 0.00 0.00 43.02 40.57 1xsk s PHE 53 CO -0.08 0.16 0.14 0.99 0.70 0.00 0.00 175.22 177.14 1xsk s THR 54 N 0.44 4.19 -0.19 0.64 2.01 -0.94 -1.38 115.64 120.41 1xsk s THR 54 Ca 0.40 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 1xsk s THR 54 Cb -0.19 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1xsk s THR 54 CO 0.21 -0.14 0.05 -0.76 -0.69 0.00 0.00 174.62 173.29 1xsk s LEU 55 N 1.49 3.67 -0.12 4.42 1.02 0.09 -1.42 118.68 127.84 1xsk s LEU 55 Ca 0.01 0.01 0.03 0.00 0.02 0.00 0.00 54.13 54.19 1xsk s LEU 55 Cb -0.19 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.10 1xsk s LEU 55 CO 0.05 0.14 -0.22 -0.60 0.02 0.00 0.00 176.35 175.74 1xsk s ARG 56 N 0.55 3.06 -0.16 1.70 3.52 0.07 -0.53 118.95 127.17 1xsk s ARG 56 Ca 0.02 -0.85 -0.04 0.00 -0.13 0.00 0.00 55.73 54.73 1xsk s ARG 56 Cb -0.13 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.84 1xsk s ARG 56 CO 0.01 0.09 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.50 1xsk s PHE 57 N 0.56 3.01 0.26 5.12 0.08 0.43 -1.24 117.98 126.20 1xsk s PHE 57 Ca -0.13 -0.33 -0.07 0.00 0.12 0.00 0.00 56.93 56.52 1xsk s PHE 57 Cb -0.17 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.31 1xsk s PHE 57 CO 0.04 -0.06 0.39 -0.59 -0.10 0.00 0.00 175.22 174.89 1xsk s PHE 58 N 0.41 0.76 -0.13 0.36 -0.71 -0.75 -1.31 117.98 116.61 1xsk s PHE 58 Ca -0.04 -1.05 -0.02 0.00 -1.04 0.00 0.00 56.93 54.78 1xsk s PHE 58 Cb -0.14 -0.08 0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1xsk s PHE 58 CO 0.03 -0.94 0.01 0.45 -1.34 0.00 0.00 175.22 173.43 1xsk s SER 59 N -3.12 2.25 0.14 1.98 0.15 -1.26 0.36 113.70 114.20 1xsk s SER 59 Ca 0.29 -0.45 0.10 0.00 0.70 0.00 0.00 55.95 56.59 1xsk s SER 59 Cb 0.01 -0.54 -0.14 0.00 -1.71 0.00 0.00 66.02 63.65 1xsk s SER 59 CO 0.13 -0.24 1.24 1.55 1.20 0.00 0.00 173.24 177.11 1xsk h PRO 60 N 8.28 0.00 -3.07 5.44 0.13 -1.84 -3.44 132.00 137.50 1xsk h PRO 60 Ca -0.19 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.84 1xsk h PRO 60 Cb 1.12 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.06 1xsk h PRO 60 CO 0.31 0.79 -0.24 -0.65 -0.23 0.00 0.00 178.00 177.97 1xsk s GLN 61 N -2.77 0.74 0.24 0.86 -1.52 -1.26 -2.01 119.66 113.93 1xsk s GLN 61 Ca 0.01 -0.28 -0.31 0.00 -1.95 0.00 0.00 55.36 52.83 1xsk s GLN 61 Cb 0.09 0.33 -0.13 0.00 -0.22 0.00 0.00 33.01 33.07 1xsk s GLN 61 CO 0.80 -0.22 1.43 -1.91 -0.25 0.00 0.00 175.29 175.15 1xsk n GLU 62 N 1.02 2.10 -0.81 2.91 0.00 -1.26 -0.63 120.64 123.97 1xsk n GLU 62 Ca -0.20 0.75 0.00 0.00 0.00 0.00 0.00 57.16 57.70 1xsk n GLU 62 Cb 0.57 -2.42 0.00 0.00 0.00 0.00 0.00 31.44 29.59 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 2.23 0.84 3.07 8.31 0.00 -1.22 -4.94 105.19 113.48 1xsk n GLY 63 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.30 1.79 -0.30 -0.61 1.01 0.19 -1.64 121.20 118.35 1xsk s ILE 64 Ca 0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 1xsk s ILE 64 Cb 0.00 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1xsk s ILE 64 CO 0.00 0.49 0.07 -0.69 0.00 0.00 0.00 174.94 174.82 1xsk s VAL 65 N 1.38 3.87 0.05 2.92 1.01 -0.86 -4.00 120.40 124.77 1xsk s VAL 65 Ca 0.04 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 1xsk s VAL 65 Cb -0.13 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1xsk s VAL 65 CO -0.11 0.06 0.62 -0.83 0.00 0.00 0.00 175.10 174.84 1xsk s GLY 66 N 1.48 2.68 -0.26 4.51 0.00 0.16 -1.83 107.32 114.05 1xsk s GLY 66 Ca 0.02 0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1xsk s GLY 66 CO 0.02 0.69 -0.03 0.14 0.00 0.00 0.00 173.10 173.92 1xsk s VAL 67 N -0.62 1.68 -0.36 1.40 1.01 0.70 -1.81 120.40 122.42 1xsk s VAL 67 Ca 0.31 -1.50 -0.09 0.00 0.00 0.00 0.00 61.98 60.71 1xsk s VAL 67 Cb -0.19 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.21 1xsk s VAL 67 CO 0.19 -0.24 0.16 -0.60 0.00 0.00 0.00 175.10 174.61 1xsk s ARG 68 N 1.29 2.72 -0.34 2.72 3.52 -0.38 -1.68 118.95 126.79 1xsk s ARG 68 Ca -0.02 -1.13 -0.11 0.00 -0.13 0.00 0.00 55.73 54.34 1xsk s ARG 68 Cb -0.19 -3.60 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1xsk s ARG 68 CO -0.08 -0.68 0.19 0.42 -0.81 0.00 0.00 175.30 174.33 1xsk s ILE 69 N 1.48 4.66 0.08 4.11 1.01 0.64 -0.75 121.20 132.43 1xsk s ILE 69 Ca 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.12 1xsk s ILE 69 Cb -0.19 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1xsk s ILE 69 CO 0.05 -0.08 -0.19 -1.83 0.00 0.00 0.00 174.94 172.88 1xsk s GLU 70 N 1.60 1.14 0.00 2.79 -1.05 -0.51 -0.57 118.70 122.10 1xsk s GLU 70 Ca 0.04 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 1xsk s GLU 70 Cb -0.18 -1.31 0.00 0.00 -0.44 0.00 0.00 34.13 32.20 1xsk s GLU 70 CO 0.07 0.31 0.00 1.58 0.95 0.00 0.00 175.26 178.17 1xsk n HIS 71 N 1.39 0.00 -2.94 4.83 -0.00 0.24 -2.21 115.22 116.53 1xsk n HIS 71 Ca -0.19 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.16 1xsk n HIS 71 Cb 0.54 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 0.78 3.70 -1.57 1.57 0.08 -1.25 -4.83 117.98 116.45 1xsk s PHE 72 Ca 0.00 1.60 0.15 0.00 0.12 0.00 0.00 56.93 58.80 1xsk s PHE 72 Cb 0.00 -2.78 0.27 0.00 -0.57 0.00 0.00 43.02 39.94 1xsk s PHE 72 CO 0.00 0.30 1.17 1.04 -0.10 0.00 0.00 175.22 177.62 1xsk n GLN 73 N 0.73 1.98 -0.13 0.44 6.02 -1.26 -4.52 117.38 120.65 1xsk n GLN 73 Ca -0.01 -1.83 0.11 0.00 -0.01 0.00 0.00 57.00 55.26 1xsk n GLN 73 Cb 0.50 -1.33 0.30 0.00 1.02 0.00 0.00 30.24 30.73 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 0.87 0.90 3.76 1.08 0.00 -1.26 -4.95 105.19 105.58 1xsk n GLY 74 Ca 0.12 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.67 2.42 0.19 4.61 0.00 -1.26 -4.95 121.76 121.10 1xsk s ALA 75 Ca 0.34 0.69 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 1xsk s ALA 75 Cb 0.19 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 20.08 1xsk s ALA 75 CO 0.28 -1.35 1.84 -0.07 0.00 0.00 0.00 175.76 176.46 1xsk h LEU 76 N 0.15 0.63 -3.39 0.00 3.38 -2.00 -3.47 115.31 110.61 1xsk h LEU 76 Ca -0.48 -0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.03 1xsk h LEU 76 Cb 1.26 -0.14 0.05 0.00 0.09 0.00 0.00 40.66 41.92 1xsk h LEU 76 CO 0.53 0.45 -0.93 0.59 0.09 0.00 0.00 178.44 179.17 1xsk n ASN 77 N -4.71 -5.15 -4.89 -0.43 5.03 -1.26 -4.97 115.26 98.88 1xsk n ASN 77 Ca 0.05 -1.04 -0.29 0.00 0.87 0.00 0.00 54.58 54.17 1xsk n ASN 77 Cb 0.06 -2.93 0.01 0.00 -1.02 0.00 0.00 39.78 35.90 1xsk n ASN 77 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1xsk s ASN 78 N -3.42 6.11 0.24 6.41 0.01 -1.26 -5.09 114.94 117.94 1xsk s ASN 78 Ca 0.42 1.13 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 1xsk s ASN 78 Cb -0.17 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1xsk s ASN 78 CO 0.89 -0.81 0.00 0.61 -1.51 0.00 0.00 177.10 176.27 1xsk n GLY 79 N -2.56 -0.98 3.78 0.66 0.00 -1.26 -4.64 105.19 100.19 1xsk n GLY 79 Ca 0.04 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.71 1.84 0.15 1.61 0.04 -1.26 -1.30 135.00 135.36 1xsk s PRO 80 Ca 0.00 0.67 0.09 0.00 0.04 0.00 0.00 61.00 61.81 1xsk s PRO 80 Cb 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1xsk s PRO 80 CO 0.00 -1.80 -0.21 -1.01 0.04 0.00 0.00 177.00 174.02 1xsk s HIS 81 N -3.10 1.96 0.59 0.56 3.76 -1.26 -4.87 115.29 112.93 1xsk s HIS 81 Ca 0.62 -0.42 -0.18 0.00 -0.15 0.00 0.00 55.06 54.92 1xsk s HIS 81 Cb -0.15 -1.01 -0.07 0.00 1.11 0.00 0.00 32.58 32.46 1xsk s HIS 81 CO 0.55 0.33 0.75 0.66 -0.85 0.00 0.00 174.74 176.19 1xsk n TYR 82 N 0.57 0.10 -1.76 1.40 4.01 -1.26 -4.81 117.16 115.41 1xsk n TYR 82 Ca -0.15 0.44 -0.41 0.00 -0.16 0.00 0.00 57.90 57.62 1xsk n TYR 82 Cb 0.55 -2.05 -0.01 0.00 -0.31 0.00 0.00 39.34 37.52 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 -0.56 3.69 -2.26 -0.72 -0.04 -1.26 -4.97 135.00 128.88 1xsk n PRO 83 Ca 0.13 -2.84 -0.35 0.00 -0.04 0.00 0.00 63.50 60.39 1xsk n PRO 83 Cb 0.47 -2.90 -0.00 0.00 -0.04 0.00 0.00 33.50 31.03 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 0.06 3.81 -0.38 1.53 2.01 -1.26 -4.79 118.68 119.66 1xsk s LEU 84 Ca 0.55 2.20 -0.16 0.00 0.01 0.00 0.00 54.13 56.73 1xsk s LEU 84 Cb 0.16 -4.51 0.00 0.00 0.01 0.00 0.00 46.19 41.85 1xsk s LEU 84 CO -0.06 -1.15 0.37 0.20 1.01 0.00 0.00 176.35 176.72 1xsk s ASN 85 N -1.69 6.17 -0.22 2.29 0.01 0.94 -5.02 114.94 117.43 1xsk s ASN 85 Ca 0.71 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 52.41 1xsk s ASN 85 Cb -0.25 -2.20 0.04 0.00 0.41 0.00 0.00 41.25 39.26 1xsk s ASN 85 CO 0.28 -0.42 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.69 1xsk s ILE 86 N 2.00 1.99 0.48 0.60 1.01 -1.26 -4.82 121.20 121.20 1xsk s ILE 86 Ca 0.11 -1.27 -0.13 0.00 0.00 0.00 0.00 60.65 59.35 1xsk s ILE 86 Cb -0.17 -2.01 -0.07 0.00 0.01 0.00 0.00 42.46 40.22 1xsk s ILE 86 CO 0.12 0.18 0.89 -0.76 0.00 0.00 0.00 174.94 175.37 1xsk s LEU 87 N 1.24 3.67 -0.27 2.97 1.43 -0.85 -5.02 118.68 121.84 1xsk s LEU 87 Ca -0.03 1.35 -0.14 0.00 -1.03 0.00 0.00 54.13 54.27 1xsk s LEU 87 Cb -0.17 -4.28 -0.13 0.00 0.03 0.00 0.00 46.19 41.64 1xsk s LEU 87 CO -0.08 -0.54 -0.28 0.00 0.23 0.00 0.00 176.35 175.68 1xsk n GLN 88 N -1.62 0.59 -1.02 1.70 1.13 -1.26 -4.66 117.38 112.24 1xsk n GLN 88 Ca 0.05 0.30 -0.15 0.00 -1.94 0.00 0.00 57.00 55.25 1xsk n GLN 88 Cb 0.54 -1.53 -0.05 0.00 0.11 0.00 0.00 30.24 29.32 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 -4.24 5.97 -4.74 1.08 5.75 -1.26 -4.96 116.55 114.15 1xsk n ASP 89 Ca -0.52 -2.85 -0.41 0.00 -0.01 0.00 0.00 54.79 51.01 1xsk n ASP 89 Cb 0.87 -1.21 -0.04 0.00 -1.03 0.00 0.00 41.12 39.70 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 -1.07 3.99 -0.32 2.12 1.01 -1.26 -4.97 120.40 119.91 1xsk s VAL 90 Ca 0.42 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.90 1xsk s VAL 90 Cb 0.26 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 1xsk s VAL 90 CO -0.07 0.34 1.46 -0.75 0.00 0.00 0.00 175.10 176.08 1xsk s LYS 91 N -0.58 3.72 0.15 2.72 2.20 -1.26 -4.99 119.74 121.70 1xsk s LYS 91 Ca 0.47 1.26 0.07 0.00 -0.36 0.00 0.00 55.97 57.41 1xsk s LYS 91 Cb -0.28 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.01 1xsk s LYS 91 CO 0.34 -1.38 -0.15 0.14 -0.36 0.00 0.00 175.35 173.94 1xsk s VAL 92 N 5.17 1.55 -0.07 4.02 -7.23 -1.26 -4.39 120.40 118.19 1xsk s VAL 92 Ca 0.64 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.97 1xsk s VAL 92 Cb -0.18 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 1xsk s VAL 92 CO 0.29 -0.44 -0.23 0.28 -0.31 0.00 0.00 175.10 174.69 1xsk s THR 93 N -2.33 1.90 -0.13 5.32 -1.32 -0.26 -4.98 115.64 113.85 1xsk s THR 93 Ca 0.14 -0.96 -0.00 0.00 -1.21 0.00 0.00 61.69 59.65 1xsk s THR 93 Cb -0.04 -1.62 0.03 0.00 -1.51 0.00 0.00 72.50 69.36 1xsk s THR 93 CO 0.05 0.53 -0.07 -0.63 -2.21 0.00 0.00 174.62 172.28 1xsk s ILE 94 N 0.04 1.06 -0.13 5.08 1.01 -1.26 -0.35 121.20 126.65 1xsk s ILE 94 Ca -0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 1xsk s ILE 94 Cb -0.15 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.24 1xsk s ILE 94 CO 0.05 0.32 -0.10 -1.83 0.00 0.00 0.00 174.94 173.38 1xsk s GLU 95 N 1.69 1.79 -0.39 2.79 -1.05 -0.69 -5.01 118.70 117.83 1xsk s GLU 95 Ca 0.04 -0.38 -0.04 0.00 -0.15 0.00 0.00 54.97 54.44 1xsk s GLU 95 Cb -0.13 -1.80 0.09 0.00 -0.44 0.00 0.00 34.13 31.85 1xsk s GLU 95 CO -0.08 -0.27 0.18 1.21 0.95 0.00 0.00 175.26 177.25 1xsk s ASN 96 N 1.63 5.29 0.52 0.83 2.47 -1.26 -1.23 114.94 123.19 1xsk s ASN 96 Ca 0.05 -1.76 0.06 0.00 0.42 0.00 0.00 52.86 51.62 1xsk s ASN 96 Cb -0.13 -1.85 0.03 0.00 -1.45 0.00 0.00 41.25 37.85 1xsk s ASN 96 CO -0.09 -0.49 0.39 0.42 -3.72 0.00 0.00 177.10 173.60 1xsk s THR 97 N 1.23 1.79 0.47 -5.21 -4.23 0.07 -5.02 115.64 104.74 1xsk s THR 97 Ca 0.04 -1.49 0.15 0.00 -1.18 0.00 0.00 61.69 59.21 1xsk s THR 97 Cb -0.22 -2.28 0.21 0.00 1.34 0.00 0.00 72.50 71.55 1xsk s THR 97 CO -0.02 0.00 2.03 -0.08 -0.54 0.00 0.00 174.62 176.01 1xsk h GLU 98 N 0.82 0.00 0.00 3.99 4.57 -2.03 -3.27 114.58 118.67 1xsk h GLU 98 Ca -0.38 -0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.44 1xsk h GLU 98 Cb 1.30 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.82 1xsk h GLU 98 CO 0.58 0.13 -2.39 -2.13 -1.18 0.00 0.00 179.01 174.02 1xsk n ARG 99 N -4.38 0.69 -4.18 1.92 0.63 -1.26 -4.81 116.66 105.27 1xsk n ARG 99 Ca -0.03 0.09 -0.11 0.00 -0.92 0.00 0.00 57.85 56.89 1xsk n ARG 99 Cb 0.20 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.51 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 -2.49 0.95 -0.10 -0.14 4.12 -1.23 -1.11 117.35 117.35 1xsk s TYR 100 Ca -0.26 -1.06 0.01 0.00 0.02 0.00 0.00 57.07 55.78 1xsk s TYR 100 Cb 0.08 -0.55 0.02 0.00 -1.52 0.00 0.00 41.96 39.98 1xsk s TYR 100 CO 0.65 -0.30 -0.12 0.00 0.02 0.00 0.00 175.55 175.80 1xsk s ALA 101 N -3.79 1.46 -0.05 3.71 0.00 -0.70 -0.75 121.76 121.64 1xsk s ALA 101 Ca 0.19 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.55 1xsk s ALA 101 Cb 0.07 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.42 1xsk s ALA 101 CO -0.01 -0.15 -0.01 -2.00 0.00 0.00 0.00 175.76 173.60 1xsk s GLU 102 N 1.15 0.52 -0.14 0.00 2.12 -0.37 -0.93 118.70 121.05 1xsk s GLU 102 Ca -0.05 0.05 -0.05 0.00 0.36 0.00 0.00 54.97 55.29 1xsk s GLU 102 Cb -0.14 -0.73 -0.04 0.00 0.26 0.00 0.00 34.13 33.48 1xsk s GLU 102 CO -0.03 -0.18 0.03 0.12 -0.54 0.00 0.00 175.26 174.66 1xsk s PHE 103 N 1.33 3.21 -0.01 5.30 5.36 -0.65 -1.70 117.98 130.83 1xsk s PHE 103 Ca -0.05 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.01 1xsk s PHE 103 Cb -0.13 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 1xsk s PHE 103 CO -0.02 0.27 -0.05 0.21 -1.46 0.00 0.00 175.22 174.16 1xsk s LYS 104 N -0.14 0.53 -0.12 10.12 2.20 0.52 -1.09 119.74 131.76 1xsk s LYS 104 Ca 0.06 -0.17 -0.02 0.00 -0.36 0.00 0.00 55.97 55.48 1xsk s LYS 104 Cb -0.12 -0.53 0.04 0.00 -1.51 0.00 0.00 37.83 35.71 1xsk s LYS 104 CO 0.02 0.07 0.01 0.45 -0.36 0.00 0.00 175.35 175.53 1xsk s SER 105 N 0.14 2.11 1.72 1.43 0.15 0.23 -1.10 113.70 118.38 1xsk s SER 105 Ca -0.01 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1xsk s SER 105 Cb -0.05 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 1xsk s SER 105 CO -0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1xsk n GLY 106 N 5.10 3.45 0.60 9.45 0.00 -1.26 -1.59 105.19 120.94 1xsk n GLY 106 Ca -0.08 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 7.96 2.21 -4.83 1.61 5.03 -1.26 -4.95 115.26 121.03 1xsk n ASN 107 Ca 0.00 -1.61 -0.36 0.00 0.87 0.00 0.00 54.58 53.48 1xsk n ASN 107 Cb 0.00 0.29 -0.07 0.00 -1.02 0.00 0.00 39.78 38.99 1xsk n ASN 107 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsk s LEU 108 N -2.09 4.25 0.02 3.41 2.96 -0.62 -0.39 118.68 126.22 1xsk s LEU 108 Ca 0.20 0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 54.41 1xsk s LEU 108 Cb 0.17 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1xsk s LEU 108 CO 0.41 0.37 0.15 -0.94 -1.32 0.00 0.00 176.35 175.02 1xsk s SER 109 N -0.78 0.05 -0.17 3.68 1.04 -0.12 -0.60 113.70 116.80 1xsk s SER 109 Ca 0.13 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.20 1xsk s SER 109 Cb -0.12 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 1xsk s SER 109 CO 0.03 -0.47 -0.02 0.00 0.98 0.00 0.00 173.24 173.76 1xsk s ALA 110 N -2.04 3.03 -0.13 5.32 0.00 -0.25 0.28 121.76 127.97 1xsk s ALA 110 Ca -0.09 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1xsk s ALA 110 Cb -0.04 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.48 1xsk s ALA 110 CO -0.01 0.14 -0.13 0.50 0.00 0.00 0.00 175.76 176.26 1xsk s ARG 111 N 0.48 2.11 -0.19 0.00 3.52 0.30 -1.63 118.95 123.54 1xsk s ARG 111 Ca -0.03 -0.49 -0.08 0.00 -0.13 0.00 0.00 55.73 55.00 1xsk s ARG 111 Cb -0.14 -1.94 -0.04 0.00 -1.56 0.00 0.00 34.95 31.26 1xsk s ARG 111 CO 0.03 -0.21 0.09 0.08 -0.81 0.00 0.00 175.30 174.48 1xsk s VAL 112 N 1.43 5.04 -0.15 7.11 1.01 -0.11 -0.55 120.40 134.17 1xsk s VAL 112 Ca 0.03 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 1xsk s VAL 112 Cb -0.13 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1xsk s VAL 112 CO -0.08 0.46 0.73 -0.44 0.00 0.00 0.00 175.10 175.76 1xsk s SER 113 N 0.30 6.87 0.71 3.32 0.01 -0.20 -1.73 113.70 122.98 1xsk s SER 113 Ca 0.05 1.06 -0.08 0.00 1.31 0.00 0.00 55.95 58.29 1xsk s SER 113 Cb -0.12 -2.41 0.06 0.00 0.21 0.00 0.00 66.02 63.76 1xsk s SER 113 CO -0.01 -0.28 1.04 -0.54 0.41 0.00 0.00 173.24 173.86 1xsk s LYS 114 N 1.73 2.27 0.83 12.44 1.02 -0.26 -4.11 119.74 133.66 1xsk s LYS 114 Ca 0.35 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1xsk s LYS 114 Cb -0.17 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 1xsk s LYS 114 CO 0.13 -1.24 0.00 0.41 -0.92 0.00 0.00 175.35 173.73 1xsk n GLY 115 N -2.97 -0.54 0.13 -3.33 0.00 -1.26 -4.46 105.19 92.76 1xsk n GLY 115 Ca 0.08 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 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 0.14 -3.70 1.61 4.81 -1.94 -3.41 114.58 112.09 1xsk h GLU 116 Ca 0.00 -0.13 -0.74 0.00 -0.13 0.00 0.00 59.36 58.36 1xsk h GLU 116 Cb 0.00 0.03 -0.31 0.00 0.63 0.00 0.00 28.75 29.11 1xsk h GLU 116 CO 0.00 0.85 -0.15 -0.06 -0.73 0.00 0.00 179.01 178.93 1xsk s PHE 117 N -3.33 3.57 0.58 0.92 0.08 -1.26 -5.01 117.98 113.54 1xsk s PHE 117 Ca -0.02 -2.37 -0.20 0.00 0.12 0.00 0.00 56.93 54.46 1xsk s PHE 117 Cb 0.11 -3.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.03 1xsk s PHE 117 CO 0.81 -0.91 1.28 -0.46 -0.10 0.00 0.00 175.22 175.83 1xsk s TRP 118 N 0.05 2.30 -0.29 0.36 -0.11 -1.26 -4.71 118.94 115.28 1xsk s TRP 118 Ca 0.17 1.46 -0.25 0.00 1.22 0.00 0.00 56.10 58.71 1xsk s TRP 118 Cb -0.16 -3.64 0.14 0.00 -1.50 0.00 0.00 33.47 28.31 1xsk s TRP 118 CO -0.06 -2.59 1.12 0.45 -4.62 0.00 0.00 176.95 171.25 1xsk s SER 119 N -1.32 -0.36 -0.17 5.86 0.15 -1.26 -4.22 113.70 112.37 1xsk s SER 119 Ca 0.76 0.70 0.01 0.00 0.70 0.00 0.00 55.95 58.12 1xsk s SER 119 Cb -0.36 0.71 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1xsk s SER 119 CO 0.40 -0.12 -0.20 -0.22 1.20 0.00 0.00 173.24 174.30 1xsk s LEU 120 N 0.19 2.11 0.01 3.45 0.20 -0.85 -1.04 118.68 122.75 1xsk s LEU 120 Ca 0.04 -0.64 0.06 0.00 0.69 0.00 0.00 54.13 54.28 1xsk s LEU 120 Cb -0.05 -1.46 -0.02 0.00 -0.43 0.00 0.00 46.19 44.23 1xsk s LEU 120 CO -0.08 0.01 -0.17 -1.81 -0.29 0.00 0.00 176.35 174.00 1xsk s ASP 121 N 1.25 1.99 -0.17 3.68 1.01 0.28 -0.80 116.67 123.91 1xsk s ASP 121 Ca 0.04 -0.38 -0.03 0.00 0.71 0.00 0.00 52.55 52.88 1xsk s ASP 121 Cb -0.13 -0.19 -0.02 0.00 1.01 0.00 0.00 42.92 43.59 1xsk s ASP 121 CO -0.12 0.16 -0.05 -0.36 0.21 0.00 0.00 175.17 175.01 1xsk s PHE 122 N -0.58 2.97 0.11 4.23 0.08 -0.44 0.11 117.98 124.46 1xsk s PHE 122 Ca 0.06 -0.54 0.09 0.00 0.12 0.00 0.00 56.93 56.65 1xsk s PHE 122 Cb -0.07 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 1xsk s PHE 122 CO 0.00 -0.23 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.16 1xsk s LEU 123 N 0.75 2.30 -0.24 -0.37 2.01 0.14 -1.71 118.68 121.57 1xsk s LEU 123 Ca -0.02 -0.70 0.00 0.00 0.01 0.00 0.00 54.13 53.42 1xsk s LEU 123 Cb -0.15 -0.97 0.04 0.00 0.01 0.00 0.00 46.19 45.12 1xsk s LEU 123 CO 0.02 0.09 -0.11 -0.60 1.01 0.00 0.00 176.35 176.76 1xsk s ARG 124 N -1.94 2.66 -1.59 1.70 3.52 0.19 -0.95 118.95 122.54 1xsk s ARG 124 Ca 0.08 -1.08 -0.12 0.00 -0.13 0.00 0.00 55.73 54.48 1xsk s ARG 124 Cb -0.10 -2.87 0.10 0.00 -1.56 0.00 0.00 34.95 30.52 1xsk s ARG 124 CO 0.05 -0.42 0.70 0.09 -0.81 0.00 0.00 175.30 174.91 1xsk n ASN 125 N 4.58 -2.62 0.00 -2.12 3.02 0.48 -1.21 115.26 117.39 1xsk n ASN 125 Ca -0.17 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 1xsk n ASN 125 Cb 0.46 -3.02 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 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 -1.63 1.75 3.79 7.41 0.00 -1.26 -5.04 105.19 110.22 1xsk n GLY 126 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1xsk n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xsk s GLU 127 N -0.37 2.96 -0.37 1.61 2.02 -0.35 -5.00 118.70 119.20 1xsk s GLU 127 Ca 0.00 -0.65 -0.26 0.00 0.02 0.00 0.00 54.97 54.08 1xsk s GLU 127 Cb 0.00 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.47 1xsk s GLU 127 CO 0.00 0.58 0.94 0.50 0.02 0.00 0.00 175.26 177.30 1xsk s ARG 128 N -2.35 3.86 -0.05 1.61 3.52 -1.26 0.56 118.95 124.85 1xsk s ARG 128 Ca 0.29 0.62 0.08 0.00 -0.13 0.00 0.00 55.73 56.59 1xsk s ARG 128 Cb -0.12 -3.80 -0.24 0.00 -1.56 0.00 0.00 34.95 29.23 1xsk s ARG 128 CO 0.22 -0.95 0.65 -0.84 -0.81 0.00 0.00 175.30 173.57 1xsk h ILE 129 N 5.82 0.86 -2.30 4.11 3.07 -1.68 -3.48 117.51 123.91 1xsk h ILE 129 Ca -0.23 -2.68 0.14 0.00 1.55 0.00 0.00 64.86 63.64 1xsk h ILE 129 Cb 1.08 2.47 -0.02 0.00 -0.27 0.00 0.00 36.82 40.07 1xsk h ILE 129 CO 0.99 0.60 0.48 1.07 -1.05 0.00 0.00 178.15 180.24 1xsk n THR 130 N -3.16 0.00 0.00 0.16 5.66 -1.24 -4.84 114.28 110.86 1xsk n THR 130 Ca -0.19 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1xsk n THR 130 Cb 1.05 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 70.42 1xsk n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsk n GLY 131 N -0.58 -1.00 3.18 1.09 0.00 -1.26 -1.32 105.19 105.30 1xsk n GLY 131 Ca -0.01 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 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 3.34 0.67 1.61 0.15 0.02 -0.86 113.70 118.63 1xsk s SER 132 Ca 0.00 -0.58 -0.11 0.00 0.70 0.00 0.00 55.95 55.97 1xsk s SER 132 Cb 0.00 -1.51 0.01 0.00 -1.71 0.00 0.00 66.02 62.81 1xsk s SER 132 CO 0.00 0.04 1.06 -1.10 1.20 0.00 0.00 173.24 174.44 1xsk s GLN 133 N 1.06 2.98 0.27 5.44 -0.21 -1.26 -2.00 119.66 125.93 1xsk s GLN 133 Ca -0.01 0.43 -0.31 0.00 0.02 0.00 0.00 55.36 55.50 1xsk s GLN 133 Cb -0.14 -2.07 -0.12 0.00 1.00 0.00 0.00 33.01 31.68 1xsk s GLN 133 CO -0.06 -0.91 1.60 1.55 -2.12 0.00 0.00 175.29 175.34 1xsk n VAL 134 N -2.90 0.80 -1.01 1.09 3.14 -1.26 -1.73 118.33 116.45 1xsk n VAL 134 Ca 0.06 -0.20 -0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1xsk n VAL 134 Cb 0.57 -1.90 -0.00 0.00 -1.06 0.00 0.00 33.84 31.45 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 2.50 -0.33 -0.28 1.45 5.02 -1.26 -4.90 118.16 120.36 1xsk n LYS 135 Ca 0.10 0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 1xsk n LYS 135 Cb 0.35 -3.43 0.26 0.00 -0.02 0.00 0.00 35.03 32.20 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 -0.02 3.62 -3.96 4.39 3.02 -0.71 -4.93 115.26 116.67 1xsk n ASN 136 Ca -0.00 -1.98 -0.09 0.00 -0.03 0.00 0.00 54.58 52.47 1xsk n ASN 136 Cb 0.09 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.15 0.09 0.00 6.41 2.20 -1.26 -1.18 114.94 120.05 1xsk s ASN 137 Ca 0.41 -0.86 0.00 0.00 -0.94 0.00 0.00 52.86 51.47 1xsk s ASN 137 Cb 0.22 0.40 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 1xsk s ASN 137 CO 0.30 -0.84 0.00 0.61 -2.94 0.00 0.00 177.10 174.23 1xsk n GLY 138 N -0.17 0.20 3.39 0.45 0.00 -0.73 -4.40 105.19 103.92 1xsk n GLY 138 Ca -0.09 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.50 2.65 -0.14 1.61 5.04 -0.15 -1.62 117.35 121.25 1xsk s TYR 139 Ca 0.00 -0.45 0.01 0.00 -2.44 0.00 0.00 57.07 54.19 1xsk s TYR 139 Cb 0.00 -1.68 -0.00 0.00 0.35 0.00 0.00 41.96 40.63 1xsk s TYR 139 CO 0.00 -0.04 -0.16 0.08 -1.34 0.00 0.00 175.55 174.10 1xsk s VAL 140 N -0.28 2.68 -0.34 3.14 1.01 0.33 -2.16 120.40 124.79 1xsk s VAL 140 Ca 0.01 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1xsk s VAL 140 Cb -0.13 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.19 1xsk s VAL 140 CO 0.03 0.52 0.08 -1.58 0.00 0.00 0.00 175.10 174.15 1xsk s GLN 141 N 0.66 2.43 -0.45 2.72 0.74 -0.50 -0.43 119.66 124.83 1xsk s GLN 141 Ca -0.08 -1.34 -0.24 0.00 0.05 0.00 0.00 55.36 53.75 1xsk s GLN 141 Cb -0.16 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.61 1xsk s GLN 141 CO 0.02 -0.73 0.83 0.34 -0.55 0.00 0.00 175.29 175.20 1xsk s ASP 142 N 1.44 6.45 0.02 6.67 -1.08 0.18 -1.56 116.67 128.79 1xsk s ASP 142 Ca -0.01 0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.30 1xsk s ASP 142 Cb -0.20 -2.41 1.03 0.00 -1.46 0.00 0.00 42.92 39.88 1xsk s ASP 142 CO -0.00 -0.94 1.79 0.41 0.52 0.00 0.00 175.17 176.95 1xsk n THR 143 N 6.20 0.05 0.09 1.71 -1.04 0.26 -1.66 114.28 119.88 1xsk n THR 143 Ca 0.04 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.05 61.84 1xsk n THR 143 Cb 0.48 -0.33 -0.11 0.00 -1.82 0.00 0.00 70.33 68.55 1xsk n THR 143 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1xsk h ASN 144 N 0.00 0.65 0.00 8.00 2.35 -1.90 -3.38 115.58 121.30 1xsk h ASN 144 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 1xsk h ASN 144 Cb 0.52 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1xsk h ASN 144 CO 0.00 1.44 0.00 -0.46 -1.65 0.00 0.00 177.43 176.76 1xsk n ASN 145 N -3.70 1.28 -2.10 5.81 0.23 -1.24 -5.00 115.26 110.53 1xsk n ASN 145 Ca -0.10 -1.47 -0.17 0.00 -0.53 0.00 0.00 54.58 52.30 1xsk n ASN 145 Cb 0.96 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.67 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 -0.24 -2.42 -4.54 -3.83 1.13 -0.67 -5.01 117.38 101.81 1xsk n GLN 146 Ca 0.00 0.76 -0.31 0.00 -1.94 0.00 0.00 57.00 55.50 1xsk n GLN 146 Cb 0.20 -5.19 -0.11 0.00 0.11 0.00 0.00 30.24 25.25 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 -5.09 2.34 -0.08 -1.09 0.52 -1.12 -4.97 118.95 109.47 1xsk s ARG 147 Ca 0.10 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.52 1xsk s ARG 147 Cb -0.05 -2.37 -0.01 0.00 0.52 0.00 0.00 34.95 33.05 1xsk s ARG 147 CO 0.13 0.57 -0.21 -0.80 0.02 0.00 0.00 175.30 175.01 1xsk s ASN 148 N -1.45 3.39 0.15 0.23 0.01 -1.26 -0.64 114.94 115.36 1xsk s ASN 148 Ca 0.16 -0.45 0.08 0.00 -0.71 0.00 0.00 52.86 51.95 1xsk s ASN 148 Cb -0.11 -1.13 -0.04 0.00 0.41 0.00 0.00 41.25 40.38 1xsk s ASN 148 CO 0.07 0.22 -0.18 -0.31 -1.51 0.00 0.00 177.10 175.39 1xsk s TYR 149 N -0.01 1.74 -0.05 2.20 2.02 0.42 -2.76 117.35 120.91 1xsk s TYR 149 Ca -0.07 -0.48 0.04 0.00 -0.37 0.00 0.00 57.07 56.20 1xsk s TYR 149 Cb -0.15 -0.89 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 1xsk s TYR 149 CO 0.05 0.28 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.50 1xsk s MET 150 N -2.64 2.50 0.18 -0.62 -1.94 -0.83 0.12 119.30 116.07 1xsk s MET 150 Ca 0.13 -0.76 -0.03 0.00 -1.71 0.00 0.00 55.69 53.33 1xsk s MET 150 Cb -0.06 -2.32 -0.03 0.00 2.01 0.00 0.00 34.83 34.43 1xsk s MET 150 CO 0.06 0.56 0.15 -0.59 -0.01 0.00 0.00 175.02 175.18 1xsk s PHE 151 N -0.57 0.91 0.03 -0.03 -0.71 -0.64 -2.14 117.98 114.83 1xsk s PHE 151 Ca 0.08 -1.21 -0.19 0.00 -1.04 0.00 0.00 56.93 54.57 1xsk s PHE 151 Cb -0.11 -0.42 0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1xsk s PHE 151 CO 0.01 -0.64 0.44 -2.00 -1.34 0.00 0.00 175.22 171.69 1xsk s GLU 152 N -4.09 0.91 -0.24 1.99 2.56 -0.75 -1.78 118.70 117.30 1xsk s GLU 152 Ca 0.30 -0.26 -0.03 0.00 0.00 0.00 0.00 54.97 54.97 1xsk s GLU 152 Cb 0.06 0.41 0.08 0.00 2.00 0.00 0.00 34.13 36.68 1xsk s GLU 152 CO 0.07 -0.30 0.09 1.03 -0.56 0.00 0.00 175.26 175.59 1xsk s ARG 153 N -2.18 0.34 -0.19 4.30 0.52 -0.32 -1.29 118.95 120.14 1xsk s ARG 153 Ca -0.07 -0.47 -0.19 0.00 -0.52 0.00 0.00 55.73 54.47 1xsk s ARG 153 Cb -0.01 -1.68 -0.03 0.00 0.52 0.00 0.00 34.95 33.74 1xsk s ARG 153 CO -0.00 -0.84 0.56 -0.51 0.02 0.00 0.00 175.30 174.53 1xsk s LEU 154 N 1.98 4.16 0.89 2.53 1.43 -0.81 -4.41 118.68 124.45 1xsk s LEU 154 Ca 0.05 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 53.79 1xsk s LEU 154 Cb -0.16 -2.78 0.06 0.00 0.03 0.00 0.00 46.19 43.33 1xsk s LEU 154 CO -0.21 -0.19 0.71 0.47 0.23 0.00 0.00 176.35 177.35 1xsk n ASP 155 N 4.74 -0.94 -3.83 2.29 8.00 -0.04 -1.35 116.55 125.42 1xsk n ASP 155 Ca -0.04 0.43 -0.23 0.00 0.71 0.00 0.00 54.79 55.67 1xsk n ASP 155 Cb 0.50 -1.31 -0.17 0.00 -0.02 0.00 0.00 41.12 40.12 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 -2.87 0.89 1.04 0.64 1.43 -0.17 -4.61 118.68 115.04 1xsk s LEU 156 Ca 0.63 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.43 1xsk s LEU 156 Cb -0.25 -0.50 0.23 0.00 0.03 0.00 0.00 46.19 45.70 1xsk s LEU 156 CO 0.61 -0.14 1.28 -0.83 0.23 0.00 0.00 176.35 177.50 1xsk s GLY 157 N 1.63 1.75 0.31 -3.19 0.00 -1.26 -4.77 107.32 101.79 1xsk s GLY 157 Ca 0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 44.72 43.23 1xsk s GLY 157 CO -0.04 -0.37 1.56 -0.62 0.00 0.00 0.00 173.10 173.63 1xsk n VAL 158 N -4.06 1.20 -1.53 1.40 0.31 -1.26 -1.92 118.33 112.47 1xsk n VAL 158 Ca 0.16 -0.30 -0.18 0.00 -0.01 0.00 0.00 64.34 64.01 1xsk n VAL 158 Cb 0.59 -1.94 -0.07 0.00 -0.91 0.00 0.00 33.84 31.51 1xsk n VAL 158 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsk n GLY 159 N 1.85 1.71 3.75 2.92 0.00 -1.26 -4.98 105.19 109.18 1xsk n GLY 159 Ca 0.07 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.54 4.34 0.06 1.61 2.12 -0.81 -4.98 118.70 117.50 1xsk s GLU 160 Ca 0.00 0.73 0.09 0.00 0.36 0.00 0.00 54.97 56.15 1xsk s GLU 160 Cb 0.00 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 1xsk s GLU 160 CO 0.00 0.30 -0.25 0.95 -0.54 0.00 0.00 175.26 175.72 1xsk s THR 161 N 0.04 2.27 -0.03 -1.70 -4.23 -1.26 -4.89 115.64 105.83 1xsk s THR 161 Ca 0.31 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 1xsk s THR 161 Cb -0.18 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 1xsk s THR 161 CO 0.17 0.32 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.86 1xsk s VAL 162 N -0.87 4.09 0.14 2.29 1.01 -1.26 -1.99 120.40 123.81 1xsk s VAL 162 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1xsk s VAL 162 Cb -0.10 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1xsk s VAL 162 CO 0.03 0.48 0.02 -0.31 0.00 0.00 0.00 175.10 175.32 1xsk s TYR 163 N -0.98 1.00 0.00 5.22 2.02 0.34 -1.18 117.35 123.77 1xsk s TYR 163 Ca 0.16 -1.11 0.00 0.00 -0.37 0.00 0.00 57.07 55.76 1xsk s TYR 163 Cb -0.11 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 1xsk s TYR 163 CO 0.06 -0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.11 1xsk n GLY 164 N -0.15 0.76 2.09 0.71 0.00 -1.26 -1.75 105.19 105.59 1xsk n GLY 164 Ca -0.07 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.22 0.00 0.99 4.77 -0.17 -4.83 117.00 116.54 1xsk n LEU 165 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1xsk n LEU 165 Cb 0.00 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1xsk n LEU 165 CO 0.00 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1xsk n GLY 166 N -1.00 -2.01 3.55 -0.72 0.00 -1.23 -3.79 105.19 99.98 1xsk n GLY 166 Ca -0.05 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.10 3.37 0.16 1.61 2.12 -0.85 -4.01 118.70 121.00 1xsk s GLU 167 Ca 0.00 -0.71 0.09 0.00 0.36 0.00 0.00 54.97 54.72 1xsk s GLU 167 Cb 0.00 -4.71 -0.04 0.00 0.26 0.00 0.00 34.13 29.64 1xsk s GLU 167 CO 0.00 -2.14 -0.15 1.03 -0.54 0.00 0.00 175.26 173.45 1xsk s ARG 168 N 5.21 1.86 -0.00 4.30 0.52 -1.26 -4.56 118.95 125.01 1xsk s ARG 168 Ca 0.39 -1.28 0.12 0.00 -0.52 0.00 0.00 55.73 54.43 1xsk s ARG 168 Cb -0.05 -2.09 0.33 0.00 0.52 0.00 0.00 34.95 33.67 1xsk s ARG 168 CO 0.03 0.45 1.28 1.19 0.02 0.00 0.00 175.30 178.26 1xsk n PHE 169 N 0.36 0.50 -1.69 -0.53 3.72 -1.26 -3.27 117.46 115.29 1xsk n PHE 169 Ca -0.13 -0.50 -0.16 0.00 -0.05 0.00 0.00 57.45 56.61 1xsk n PHE 169 Cb 0.54 -0.03 0.11 0.00 -0.94 0.00 0.00 39.48 39.16 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 0.58 0.00 -1.56 4.37 -2.24 -1.26 -4.88 114.28 109.29 1xsk n THR 170 Ca 0.13 -0.61 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 1xsk n THR 170 Cb 0.44 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 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 -3.38 -0.43 -0.15 6.98 0.00 -1.26 -4.88 120.51 117.39 1xsk n ALA 171 Ca -0.12 0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 1xsk n ALA 171 Cb 0.33 -1.98 0.04 0.00 0.00 0.00 0.00 19.45 17.84 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 1.48 0.32 -8.94 0.00 5.85 -1.93 -3.38 115.31 108.71 1xsk h LEU 172 Ca -0.41 0.03 -0.59 0.00 0.84 0.00 0.00 57.88 57.75 1xsk h LEU 172 Cb 1.36 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 1xsk h LEU 172 CO 0.57 0.23 0.64 -0.69 -0.34 0.00 0.00 178.44 178.84 1xsk s VAL 173 N -6.14 4.65 0.13 1.05 1.01 -1.26 -4.60 120.40 115.24 1xsk s VAL 173 Ca -0.13 1.49 0.33 0.00 0.00 0.00 0.00 61.98 63.68 1xsk s VAL 173 Cb 0.13 -4.29 0.35 0.00 0.00 0.00 0.00 36.38 32.57 1xsk s VAL 173 CO 0.73 -0.36 2.00 0.03 0.00 0.00 0.00 175.10 177.50 1xsk h ARG 174 N 8.07 0.00 -6.10 2.72 -0.00 -1.34 -3.46 114.38 114.29 1xsk h ARG 174 Ca -0.22 0.00 -0.74 0.00 -0.50 0.00 0.00 59.98 58.52 1xsk h ARG 174 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.05 1xsk h ARG 174 CO 0.96 0.00 1.03 0.09 0.00 0.00 0.00 179.97 182.05 1xsk n ASN 175 N -2.76 2.14 0.00 7.04 4.13 -1.26 -1.19 115.26 123.36 1xsk n ASN 175 Ca -0.01 0.92 0.00 0.00 1.68 0.00 0.00 54.58 57.17 1xsk n ASN 175 Cb 0.16 -1.13 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 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 4.94 0.56 3.33 7.41 0.00 0.24 -5.00 105.19 116.68 1xsk n GLY 176 Ca 0.32 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.77 1.29 -0.11 1.61 -2.07 -0.33 -4.61 119.66 114.66 1xsk s GLN 177 Ca 0.00 -1.50 -0.10 0.00 -1.82 0.00 0.00 55.36 51.95 1xsk s GLN 177 Cb 0.00 -1.19 -0.05 0.00 -1.09 0.00 0.00 33.01 30.69 1xsk s GLN 177 CO 0.00 0.22 0.21 0.99 -1.32 0.00 0.00 175.29 175.39 1xsk s THR 178 N -2.56 5.37 -0.04 3.63 2.01 -1.26 -1.40 115.64 121.39 1xsk s THR 178 Ca 0.19 0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 1xsk s THR 178 Cb -0.03 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 69.01 1xsk s THR 178 CO 0.07 0.56 0.08 0.68 -0.69 0.00 0.00 174.62 175.31 1xsk s VAL 179 N -0.66 -0.07 -0.28 3.82 -7.23 -0.61 -5.00 120.40 110.36 1xsk s VAL 179 Ca 0.16 0.24 -0.10 0.00 -1.81 0.00 0.00 61.98 60.47 1xsk s VAL 179 Cb -0.13 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.63 1xsk s VAL 179 CO 0.05 0.10 0.15 -1.61 -0.31 0.00 0.00 175.10 173.48 1xsk s GLU 180 N 1.29 3.72 -1.18 4.82 0.41 -1.26 -1.43 118.70 125.07 1xsk s GLU 180 Ca -0.07 -0.46 -0.20 0.00 -0.41 0.00 0.00 54.97 53.83 1xsk s GLU 180 Cb -0.12 -3.55 0.04 0.00 -1.78 0.00 0.00 34.13 28.72 1xsk s GLU 180 CO -0.04 -0.24 1.68 0.95 -0.49 0.00 0.00 175.26 177.12 1xsk s THR 181 N 1.69 3.97 -0.19 3.63 -4.23 -0.71 -4.82 115.64 114.97 1xsk s THR 181 Ca 0.06 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.14 1xsk s THR 181 Cb -0.16 -5.03 0.08 0.00 1.34 0.00 0.00 72.50 68.73 1xsk s THR 181 CO 0.08 -1.84 0.17 0.86 -0.54 0.00 0.00 174.62 173.34 1xsk s TRP 182 N 5.46 -0.08 0.30 3.99 -0.11 -1.26 -4.01 118.94 123.23 1xsk s TRP 182 Ca 0.54 -0.00 -0.30 0.00 1.22 0.00 0.00 56.10 57.56 1xsk s TRP 182 Cb 0.02 -0.50 -0.12 0.00 -1.50 0.00 0.00 33.47 31.36 1xsk s TRP 182 CO 0.03 -0.56 1.48 0.09 -4.62 0.00 0.00 176.95 173.37 1xsk n ASN 183 N 5.30 3.40 -3.79 5.86 3.02 -1.26 -4.66 115.26 123.13 1xsk n ASN 183 Ca -0.06 1.17 -0.09 0.00 -0.03 0.00 0.00 54.58 55.56 1xsk n ASN 183 Cb 0.49 -1.54 -0.06 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 -0.97 0.91 -0.90 3.52 0.52 -0.15 -4.65 118.95 117.22 1xsk s ARG 184 Ca 0.62 -0.87 -0.10 0.00 -0.52 0.00 0.00 55.73 54.86 1xsk s ARG 184 Cb -0.54 0.38 0.23 0.00 0.52 0.00 0.00 34.95 35.54 1xsk s ARG 184 CO 0.54 -0.31 0.84 0.34 0.02 0.00 0.00 175.30 176.73 1xsk s ASP 185 N -2.82 6.66 -0.08 0.23 -1.08 -1.26 -3.48 116.67 114.85 1xsk s ASP 185 Ca 0.04 -3.13 0.11 0.00 -0.52 0.00 0.00 52.55 49.05 1xsk s ASP 185 Cb 0.04 -2.13 0.17 0.00 -1.46 0.00 0.00 42.92 39.54 1xsk s ASP 185 CO -0.11 -0.41 1.08 0.61 0.52 0.00 0.00 175.17 176.86 1xsk n GLY 186 N 3.30 3.12 6.89 2.66 0.00 -1.26 -5.10 105.19 114.80 1xsk n GLY 186 Ca 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.87 -1.73 0.00 -0.02 0.00 -1.26 -4.48 105.19 96.82 1xsk n GLY 187 Ca 0.09 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 0.95 -0.43 2.61 -2.24 -1.25 -4.69 114.28 109.23 1xsk n THR 188 Ca 0.00 -0.95 0.08 0.00 -2.27 0.00 0.00 64.05 60.90 1xsk n THR 188 Cb 0.00 0.53 0.23 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.47 3.55 -2.22 3.42 7.64 -1.26 -4.79 113.62 119.48 1xsk n SER 189 Ca 0.00 -2.27 -0.09 0.00 1.01 0.00 0.00 58.87 57.53 1xsk n SER 189 Cb 0.26 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.56 0.00 0.51 0.44 -2.24 -1.26 -5.01 114.28 107.28 1xsk n THR 190 Ca 0.17 -0.87 0.11 0.00 -2.27 0.00 0.00 64.05 61.20 1xsk n THR 190 Cb 0.62 0.34 0.45 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.31 0.16 -1.45 -0.78 0.00 -1.26 -4.38 120.64 112.62 1xsk n GLU 191 Ca -0.01 0.32 -0.29 0.00 0.00 0.00 0.00 57.16 57.18 1xsk n GLU 191 Cb 0.22 -1.76 0.14 0.00 0.00 0.00 0.00 31.44 30.04 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 -3.19 1.09 -0.02 3.44 -0.21 -1.26 -4.89 119.66 114.62 1xsk s GLN 192 Ca 0.07 0.39 -0.26 0.00 0.02 0.00 0.00 55.36 55.58 1xsk s GLN 192 Cb 0.11 -1.82 0.06 0.00 1.00 0.00 0.00 33.01 32.35 1xsk s GLN 192 CO 0.42 -2.25 0.57 0.00 -2.12 0.00 0.00 175.29 171.91 1xsk s ALA 193 N -3.18 -1.48 -0.09 6.09 0.00 -1.26 -4.64 121.76 117.19 1xsk s ALA 193 Ca 0.64 0.97 0.15 0.00 0.00 0.00 0.00 51.96 53.72 1xsk s ALA 193 Cb -0.16 0.10 -0.15 0.00 0.00 0.00 0.00 23.12 22.91 1xsk s ALA 193 CO 0.54 -0.38 0.84 1.88 0.00 0.00 0.00 175.76 178.65 1xsk h TYR 194 N 3.13 0.00 -3.23 0.00 0.05 -1.80 -0.38 116.97 114.75 1xsk h TYR 194 Ca -0.28 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 57.87 1xsk h TYR 194 Cb 1.16 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.49 1xsk h TYR 194 CO 0.41 0.71 -0.65 0.15 -1.05 0.00 0.00 178.16 177.72 1xsk s LYS 195 N -2.82 1.87 0.04 4.88 1.02 -1.26 -3.17 119.74 120.30 1xsk s LYS 195 Ca -0.03 -2.58 -0.17 0.00 0.02 0.00 0.00 55.97 53.21 1xsk s LYS 195 Cb 0.08 -3.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 1xsk s LYS 195 CO 0.81 -1.15 0.49 -0.80 -0.92 0.00 0.00 175.35 173.78 1xsk s ASN 196 N -0.31 6.92 -0.11 2.83 0.01 -1.24 -2.00 114.94 121.04 1xsk s ASN 196 Ca 0.19 1.10 -0.03 0.00 -0.71 0.00 0.00 52.86 53.40 1xsk s ASN 196 Cb -0.22 -2.30 0.05 0.00 0.41 0.00 0.00 41.25 39.19 1xsk s ASN 196 CO -0.03 0.29 0.15 -0.63 -1.51 0.00 0.00 177.10 175.37 1xsk s ILE 197 N -1.13 -0.23 0.00 0.60 -1.09 -1.25 -4.39 121.20 113.71 1xsk s ILE 197 Ca 0.27 0.24 -0.05 0.00 -2.23 0.00 0.00 60.65 58.88 1xsk s ILE 197 Cb -0.18 -0.36 -0.21 0.00 -1.58 0.00 0.00 42.46 40.13 1xsk s ILE 197 CO 0.16 0.05 3.07 -0.81 -1.23 0.00 0.00 174.94 176.19 1xsk n PRO 198 N 5.32 1.65 -4.54 2.79 -0.04 -1.26 -3.51 135.00 135.41 1xsk n PRO 198 Ca -0.05 -0.77 -0.23 0.00 -0.04 0.00 0.00 63.50 62.42 1xsk n PRO 198 Cb 0.50 -1.82 -0.16 0.00 -0.04 0.00 0.00 33.50 31.98 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 1.08 1.25 0.18 0.54 5.36 -1.26 -0.97 117.98 124.16 1xsk s PHE 199 Ca 0.51 -0.36 0.01 0.00 -0.96 0.00 0.00 56.93 56.13 1xsk s PHE 199 Cb 0.24 -0.89 -0.05 0.00 -0.34 0.00 0.00 43.02 41.99 1xsk s PHE 199 CO 0.00 -0.16 0.04 1.52 -1.46 0.00 0.00 175.22 175.16 1xsk s TYR 200 N 0.28 1.20 0.16 10.12 -0.85 -0.85 -1.00 117.35 126.41 1xsk s TYR 200 Ca -0.06 -1.12 -0.09 0.00 -0.52 0.00 0.00 57.07 55.28 1xsk s TYR 200 Cb -0.11 -0.68 -0.01 0.00 0.38 0.00 0.00 41.96 41.54 1xsk s TYR 200 CO 0.02 -0.33 0.27 0.00 -1.52 0.00 0.00 175.55 173.99 1xsk s MET 201 N -3.98 1.13 0.29 -3.49 0.23 -0.71 -1.33 119.30 111.43 1xsk s MET 201 Ca 0.28 -1.17 0.03 0.00 -1.03 0.00 0.00 55.69 53.79 1xsk s MET 201 Cb 0.07 0.37 -0.06 0.00 -1.53 0.00 0.00 34.83 33.68 1xsk s MET 201 CO 0.06 -0.41 0.07 0.95 -2.03 0.00 0.00 175.02 173.66 1xsk s THR 202 N -3.96 0.89 -1.91 3.16 -4.23 -0.80 -0.51 115.64 108.27 1xsk s THR 202 Ca 0.17 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1xsk s THR 202 Cb 0.04 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1xsk s THR 202 CO -0.01 -0.02 0.74 -0.46 -0.54 0.00 0.00 174.62 174.34 1xsk n ASN 203 N -0.57 0.07 -1.16 3.99 6.94 -0.84 -2.55 115.26 121.14 1xsk n ASN 203 Ca -0.01 -1.55 0.10 0.00 -0.02 0.00 0.00 54.58 53.10 1xsk n ASN 203 Cb 0.66 -0.03 0.28 0.00 -2.36 0.00 0.00 39.78 38.33 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 -0.45 2.77 -2.14 -3.83 0.63 -1.26 -4.97 116.66 107.41 1xsk n ARG 204 Ca 0.00 -2.50 -0.01 0.00 -0.92 0.00 0.00 57.85 54.42 1xsk n ARG 204 Cb 0.02 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.44 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 1.34 0.45 3.32 5.14 0.00 -1.06 -4.97 105.19 109.40 1xsk n GLY 205 Ca 0.21 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.26 -0.27 0.33 1.61 -0.85 -1.26 -0.65 117.35 114.00 1xsk s TYR 206 Ca 0.01 0.27 0.03 0.00 -0.52 0.00 0.00 57.07 56.86 1xsk s TYR 206 Cb -0.00 0.20 -0.06 0.00 0.38 0.00 0.00 41.96 42.49 1xsk s TYR 206 CO 0.01 -0.54 0.07 0.20 -1.52 0.00 0.00 175.55 173.77 1xsk s GLY 207 N -1.87 2.11 -0.13 5.49 0.00 0.09 -1.90 107.32 111.12 1xsk s GLY 207 Ca -0.07 -1.91 -0.07 0.00 0.00 0.00 0.00 44.72 42.67 1xsk s GLY 207 CO -0.01 -1.79 0.31 0.54 0.00 0.00 0.00 173.10 172.15 1xsk s VAL 208 N -3.34 -0.03 -0.25 1.40 0.11 -0.44 0.78 120.40 118.62 1xsk s VAL 208 Ca 0.35 0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 59.44 1xsk s VAL 208 Cb 0.08 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1xsk s VAL 208 CO 0.15 0.05 0.07 -0.22 -3.33 0.00 0.00 175.10 171.82 1xsk s LEU 209 N 1.23 3.47 -0.37 2.54 2.96 -0.50 -2.00 118.68 126.00 1xsk s LEU 209 Ca -0.09 -0.25 -0.24 0.00 -0.22 0.00 0.00 54.13 53.34 1xsk s LEU 209 Cb -0.09 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1xsk s LEU 209 CO -0.09 -0.05 0.80 -0.69 -1.32 0.00 0.00 176.35 175.00 1xsk s VAL 210 N 1.61 4.71 -1.38 1.68 1.01 -0.14 -0.68 120.40 127.21 1xsk s VAL 210 Ca 0.06 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 1xsk s VAL 210 Cb -0.15 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.94 1xsk s VAL 210 CO 0.03 -0.46 2.54 -3.20 0.00 0.00 0.00 175.10 174.02 1xsk n ASN 211 N 6.48 6.38 -3.65 3.32 5.15 0.09 -4.76 115.26 128.26 1xsk n ASN 211 Ca 0.04 -2.59 -0.24 0.00 -0.60 0.00 0.00 54.58 51.18 1xsk n ASN 211 Cb 0.48 -1.45 -0.17 0.00 -0.53 0.00 0.00 39.78 38.11 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 2.89 0.28 0.23 1.20 3.76 -1.26 -4.77 115.29 117.61 1xsk s HIS 212 Ca 0.58 -0.18 -0.04 0.00 -0.15 0.00 0.00 55.06 55.26 1xsk s HIS 212 Cb 0.15 -0.67 0.25 0.00 1.11 0.00 0.00 32.58 33.42 1xsk s HIS 212 CO -0.05 -0.41 1.73 -1.35 -0.85 0.00 0.00 174.74 173.82 1xsk h PRO 213 N 8.40 0.91 -7.23 8.40 0.11 -1.89 -3.44 132.00 137.26 1xsk h PRO 213 Ca -0.15 -0.25 -0.40 0.00 0.11 0.00 0.00 66.00 65.32 1xsk h PRO 213 Cb 1.14 -0.10 0.21 0.00 0.11 0.00 0.00 31.00 32.35 1xsk h PRO 213 CO 0.25 0.88 0.01 1.14 -0.21 0.00 0.00 178.00 180.08 1xsk s GLN 214 N -5.05 -2.13 0.25 1.05 0.00 -1.25 -4.52 119.66 108.01 1xsk s GLN 214 Ca -0.10 -0.01 -0.31 0.00 -0.00 0.00 0.00 55.36 54.93 1xsk s GLN 214 Cb 0.14 -1.49 -0.11 0.00 0.00 0.00 0.00 33.01 31.56 1xsk s GLN 214 CO 0.83 -4.32 1.63 0.00 0.00 0.00 0.00 175.29 173.42 1xsk s VAL 216 N 0.47 2.33 -0.32 0.00 1.01 -1.26 -4.56 120.40 118.07 1xsk s VAL 216 Ca 0.67 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 1xsk s VAL 216 Cb -0.48 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1xsk s VAL 216 CO 0.41 0.56 0.15 -0.55 0.00 0.00 0.00 175.10 175.67 1xsk s SER 217 N 0.13 5.49 -0.07 3.32 0.15 -0.34 -1.74 113.70 120.64 1xsk s SER 217 Ca -0.11 -0.71 -0.04 0.00 0.70 0.00 0.00 55.95 55.79 1xsk s SER 217 Cb -0.16 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 1xsk s SER 217 CO 0.06 -0.25 0.10 -0.36 1.20 0.00 0.00 173.24 174.00 1xsk s PHE 218 N 1.56 3.42 -0.55 3.44 0.40 -0.52 -1.57 117.98 124.17 1xsk s PHE 218 Ca 0.03 0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.76 1xsk s PHE 218 Cb -0.18 -1.85 0.15 0.00 0.51 0.00 0.00 43.02 41.65 1xsk s PHE 218 CO 0.05 0.62 0.34 -1.21 0.70 0.00 0.00 175.22 175.73 1xsk s GLU 219 N -1.25 1.83 -0.99 0.44 0.41 0.81 -1.58 118.70 118.37 1xsk s GLU 219 Ca 0.18 -2.65 -0.23 0.00 -0.41 0.00 0.00 54.97 51.86 1xsk s GLU 219 Cb -0.12 -2.87 0.01 0.00 -1.78 0.00 0.00 34.13 29.38 1xsk s GLU 219 CO 0.07 -1.22 1.65 0.08 -0.49 0.00 0.00 175.26 175.35 1xsk s VAL 220 N -0.48 3.75 -0.98 2.63 1.01 -0.50 -2.23 120.40 123.61 1xsk s VAL 220 Ca 0.22 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1xsk s VAL 220 Cb -0.15 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.56 1xsk s VAL 220 CO -0.08 -1.57 0.00 0.61 0.00 0.00 0.00 175.10 174.06 1xsk n GLY 221 N 6.82 0.98 0.08 4.51 0.00 -0.38 0.83 105.19 118.03 1xsk n GLY 221 Ca 0.36 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.66 0.51 -0.02 1.61 3.41 -1.24 -4.05 113.62 113.17 1xsk n SER 222 Ca -0.09 0.21 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 1xsk n SER 222 Cb 0.46 0.85 -0.01 0.00 -0.26 0.00 0.00 64.21 65.25 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 -2.64 0.16 -3.47 4.33 2.13 -1.26 -4.87 120.64 115.01 1xsk n GLU 223 Ca -0.09 0.06 -0.42 0.00 0.66 0.00 0.00 57.16 57.38 1xsk n GLU 223 Cb 0.73 -0.70 -0.10 0.00 0.27 0.00 0.00 31.44 31.64 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 -1.65 3.25 0.46 5.31 -0.14 -1.26 -4.98 119.74 120.73 1xsk s LYS 224 Ca -0.09 -0.79 0.18 0.00 -1.36 0.00 0.00 55.97 53.91 1xsk s LYS 224 Cb 0.01 -3.89 1.15 0.00 -1.68 0.00 0.00 37.83 33.42 1xsk s LYS 224 CO 0.13 -0.61 1.98 -0.39 -0.76 0.00 0.00 175.35 175.69 1xsk h VAL 225 N 5.57 0.83 -0.60 3.17 -1.51 -1.90 -2.38 116.25 119.44 1xsk h VAL 225 Ca -0.29 -0.09 -0.10 0.00 -1.23 0.00 0.00 66.70 64.99 1xsk h VAL 225 Cb 1.14 0.53 -0.06 0.00 -2.13 0.00 0.00 31.29 30.77 1xsk h VAL 225 CO 0.69 0.05 0.13 -1.54 -1.23 0.00 0.00 177.57 175.67 1xsk n SER 226 N -4.45 4.90 -3.80 4.19 3.41 -1.26 -4.54 113.62 112.08 1xsk n SER 226 Ca 0.10 -2.97 -0.10 0.00 -0.26 0.00 0.00 58.87 55.65 1xsk n SER 226 Cb 0.47 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.66 0.84 -0.43 4.33 1.02 -0.90 -0.99 119.74 120.96 1xsk s LYS 227 Ca 0.49 -0.78 -0.09 0.00 0.02 0.00 0.00 55.97 55.62 1xsk s LYS 227 Cb 0.38 0.35 0.08 0.00 -0.52 0.00 0.00 37.83 38.13 1xsk s LYS 227 CO 0.13 -0.27 0.27 0.08 -0.92 0.00 0.00 175.35 174.64 1xsk s VAL 228 N -3.36 4.20 -0.13 3.17 1.01 -0.46 -1.24 120.40 123.58 1xsk s VAL 228 Ca 0.01 -1.47 -0.13 0.00 0.00 0.00 0.00 61.98 60.39 1xsk s VAL 228 Cb 0.02 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1xsk s VAL 228 CO -0.08 -0.55 0.28 -1.58 0.00 0.00 0.00 175.10 173.17 1xsk s GLN 229 N 1.41 4.11 -0.01 2.72 0.74 -0.95 -1.92 119.66 125.76 1xsk s GLN 229 Ca 0.04 0.10 0.03 0.00 0.05 0.00 0.00 55.36 55.57 1xsk s GLN 229 Cb -0.23 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 1xsk s GLN 229 CO 0.01 0.37 -0.10 -0.59 -0.55 0.00 0.00 175.29 174.44 1xsk s PHE 230 N 0.07 0.89 0.03 1.67 -0.12 -0.41 -0.14 117.98 119.97 1xsk s PHE 230 Ca 0.17 -0.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.88 1xsk s PHE 230 Cb -0.13 -0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 1xsk s PHE 230 CO 0.05 -0.02 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.61 1xsk s SER 231 N -0.20 0.43 0.01 1.98 1.04 -0.61 -1.81 113.70 114.54 1xsk s SER 231 Ca 0.03 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 55.87 1xsk s SER 231 Cb -0.04 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 1xsk s SER 231 CO -0.00 -0.30 0.05 0.54 0.98 0.00 0.00 173.24 174.50 1xsk s VAL 232 N -1.67 0.08 -0.72 5.02 0.11 -0.91 -1.20 120.40 121.11 1xsk s VAL 232 Ca -0.12 -0.67 -0.27 0.00 -2.93 0.00 0.00 61.98 57.99 1xsk s VAL 232 Cb -0.08 -0.30 0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1xsk s VAL 232 CO -0.01 -0.37 1.33 -0.70 -3.33 0.00 0.00 175.10 172.02 1xsk s GLU 233 N -1.17 3.15 0.09 1.54 2.12 -1.26 -1.97 118.70 121.20 1xsk s GLU 233 Ca -0.13 -0.15 -0.26 0.00 0.36 0.00 0.00 54.97 54.79 1xsk s GLU 233 Cb -0.07 -4.19 0.08 0.00 0.26 0.00 0.00 34.13 30.20 1xsk s GLU 233 CO 0.00 -2.19 0.88 0.45 -0.54 0.00 0.00 175.26 173.87 1xsk s SER 234 N 4.10 -0.30 0.00 -1.70 0.15 -1.11 -4.99 113.70 109.84 1xsk s SER 234 Ca 0.38 -0.20 0.26 0.00 0.70 0.00 0.00 55.95 57.09 1xsk s SER 234 Cb -0.08 0.47 0.75 0.00 -1.71 0.00 0.00 66.02 65.44 1xsk s SER 234 CO 0.16 -0.81 1.56 -0.62 1.20 0.00 0.00 173.24 174.73 1xsk n GLU 235 N -0.36 1.22 -3.79 5.44 -0.58 -1.26 -3.77 120.64 117.54 1xsk n GLU 235 Ca -0.08 -0.77 -0.11 0.00 -0.42 0.00 0.00 57.16 55.78 1xsk n GLU 235 Cb 0.61 -1.48 -0.07 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 -2.31 -0.03 -0.09 -0.32 -0.85 -1.26 -0.59 117.35 111.89 1xsk s TYR 236 Ca 0.28 -0.19 -0.00 0.00 -0.52 0.00 0.00 57.07 56.64 1xsk s TYR 236 Cb 0.20 0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.61 1xsk s TYR 236 CO 0.45 -0.50 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.75 1xsk s LEU 237 N -2.24 1.06 -0.10 -3.49 2.96 0.26 -4.86 118.68 112.27 1xsk s LEU 237 Ca -0.03 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1xsk s LEU 237 Cb 0.00 -0.71 0.00 0.00 0.50 0.00 0.00 46.19 45.99 1xsk s LEU 237 CO -0.05 -0.13 -0.21 -0.70 -1.32 0.00 0.00 176.35 173.94 1xsk s GLU 238 N 1.66 2.72 0.12 1.98 2.12 -1.26 -0.26 118.70 125.78 1xsk s GLU 238 Ca 0.03 -0.76 -0.03 0.00 0.36 0.00 0.00 54.97 54.57 1xsk s GLU 238 Cb -0.13 -2.11 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 1xsk s GLU 238 CO -0.06 0.11 0.09 1.52 -0.54 0.00 0.00 175.26 176.37 1xsk s TYR 239 N 0.52 0.69 -0.09 5.30 1.13 -0.68 -0.73 117.35 123.49 1xsk s TYR 239 Ca -0.16 -1.09 0.01 0.00 -1.41 0.00 0.00 57.07 54.42 1xsk s TYR 239 Cb -0.17 -0.37 0.02 0.00 -1.10 0.00 0.00 41.96 40.34 1xsk s TYR 239 CO 0.06 -0.53 -0.10 -0.06 -2.51 0.00 0.00 175.55 172.40 1xsk s PHE 240 N -4.00 1.48 -0.15 -3.49 0.08 0.15 -0.21 117.98 111.83 1xsk s PHE 240 Ca 0.19 -0.64 -0.18 0.00 0.12 0.00 0.00 56.93 56.43 1xsk s PHE 240 Cb 0.07 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1xsk s PHE 240 CO -0.01 -0.39 0.46 0.08 -0.10 0.00 0.00 175.22 175.27 1xsk s VAL 241 N 1.12 5.18 -0.15 -0.44 1.01 -0.76 -1.42 120.40 124.94 1xsk s VAL 241 Ca -0.06 0.89 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 1xsk s VAL 241 Cb -0.14 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1xsk s VAL 241 CO -0.02 0.28 -0.12 -0.63 0.00 0.00 0.00 175.10 174.62 1xsk s ILE 242 N 0.94 3.03 0.31 2.22 1.01 0.23 -2.02 121.20 126.92 1xsk s ILE 242 Ca 0.24 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 1xsk s ILE 242 Cb -0.15 -2.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.93 1xsk s ILE 242 CO 0.09 0.50 0.85 -0.62 0.00 0.00 0.00 174.94 175.76 1xsk s ASP 243 N 0.69 7.11 0.00 3.58 2.15 -0.65 -0.73 116.67 128.83 1xsk s ASP 243 Ca -0.06 1.61 0.00 0.00 0.43 0.00 0.00 52.55 54.53 1xsk s ASP 243 Cb -0.15 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1xsk s ASP 243 CO 0.02 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 1xsk n GLY 244 N 0.31 0.92 0.00 2.66 0.00 0.18 -3.99 105.19 105.27 1xsk n GLY 244 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 0.45 -4.29 1.61 -0.04 -1.26 -4.57 135.00 126.90 1xsk n PRO 245 Ca 0.00 0.05 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 1xsk n PRO 245 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.33 3.24 0.28 0.52 -4.23 -1.26 -3.95 115.64 107.91 1xsk s THR 246 Ca 0.25 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1xsk s THR 246 Cb 0.14 -2.62 0.27 0.00 1.34 0.00 0.00 72.50 71.64 1xsk s THR 246 CO 0.29 -0.13 1.76 -0.65 -0.54 0.00 0.00 174.62 175.35 1xsk h PRO 247 N 2.82 0.65 -0.28 3.99 0.11 -1.89 0.64 132.00 138.04 1xsk h PRO 247 Ca -0.46 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1xsk h PRO 247 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1xsk h PRO 247 CO 0.55 0.43 -0.23 0.87 -0.21 0.00 0.00 178.00 179.40 1xsk h LYS 248 N 0.67 0.53 -0.35 1.05 1.57 -1.96 -2.03 116.57 116.04 1xsk h LYS 248 Ca 0.53 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1xsk h LYS 248 Cb 0.81 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1xsk h LYS 248 CO -0.39 0.73 0.03 0.00 -0.57 0.00 0.00 179.45 179.24 1xsk h ALA 249 N 1.28 0.47 -0.16 3.86 0.00 -1.26 -0.12 119.26 123.33 1xsk h ALA 249 Ca 0.07 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1xsk h ALA 249 Cb 0.66 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1xsk h ALA 249 CO 0.05 0.21 -0.08 0.28 0.00 0.00 0.00 179.25 179.71 1xsk h VAL 250 N 0.43 0.73 -0.42 0.00 2.07 -0.80 -1.61 116.25 116.66 1xsk h VAL 250 Ca 0.10 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1xsk h VAL 250 Cb 0.41 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1xsk h VAL 250 CO 0.01 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.65 1xsk h LEU 251 N -0.07 0.56 -0.07 2.57 3.38 -1.27 0.25 115.31 120.66 1xsk h LEU 251 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xsk h LEU 251 Cb 0.21 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xsk h LEU 251 CO -0.21 0.56 0.05 -0.78 0.09 0.00 0.00 178.44 178.15 1xsk h ASP 252 N 0.61 0.08 -0.27 -0.43 1.82 -0.22 0.80 116.42 118.81 1xsk h ASP 252 Ca 0.14 -0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 1xsk h ASP 252 Cb 0.21 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 1xsk h ASP 252 CO -0.01 0.06 -0.01 0.03 -1.61 0.00 0.00 179.24 177.70 1xsk h ARG 253 N 0.09 0.48 -0.50 0.28 3.08 -0.83 -2.02 114.38 114.96 1xsk h ARG 253 Ca 0.03 -0.16 0.08 0.00 0.07 0.00 0.00 59.98 59.99 1xsk h ARG 253 Cb -0.01 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 1xsk h ARG 253 CO -0.01 0.65 0.15 -0.92 -1.07 0.00 0.00 179.97 178.77 1xsk h TYR 254 N 0.25 0.25 0.00 3.04 3.20 -0.29 0.16 116.97 123.58 1xsk h TYR 254 Ca 0.07 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 1xsk h TYR 254 Cb 0.45 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1xsk h TYR 254 CO 0.04 0.05 -0.40 1.79 -1.64 0.00 0.00 178.16 178.01 1xsk h THR 255 N 0.30 0.82 -0.19 1.81 1.35 -0.84 0.24 112.91 116.40 1xsk h THR 255 Ca 0.25 -1.70 -0.18 0.00 -0.55 0.00 0.00 66.41 64.23 1xsk h THR 255 Cb 0.30 2.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1xsk h THR 255 CO -0.28 0.39 -0.60 -0.09 -0.25 0.00 0.00 175.52 174.69 1xsk h ARG 256 N 0.00 0.63 -0.02 4.72 2.43 -0.60 0.36 114.38 121.90 1xsk h ARG 256 Ca -0.00 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1xsk h ARG 256 Cb 1.04 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1xsk h ARG 256 CO 0.05 1.04 -0.05 0.35 -1.51 0.00 0.00 179.97 179.86 1xsk h PHE 257 N 0.47 0.08 0.00 2.20 3.57 -0.31 -3.39 116.94 119.56 1xsk h PHE 257 Ca -0.00 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.36 1xsk h PHE 257 Cb 1.17 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1xsk h PHE 257 CO 0.06 0.66 -2.10 0.25 -2.23 0.00 0.00 178.31 174.95 1xsk n THR 258 N -4.74 0.40 0.00 4.41 -2.24 0.80 -0.04 114.28 112.88 1xsk n THR 258 Ca -0.09 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1xsk n THR 258 Cb 0.33 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 1.42 3.68 3.71 3.38 0.00 0.12 -4.31 105.19 113.18 1xsk n GLY 259 Ca -0.12 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.86 4.45 0.31 1.61 1.81 -0.95 -4.57 118.95 119.74 1xsk s ARG 260 Ca 0.00 1.06 -0.29 0.00 -1.72 0.00 0.00 55.73 54.78 1xsk s ARG 260 Cb 0.00 -3.47 -0.12 0.00 -0.45 0.00 0.00 34.95 30.90 1xsk s ARG 260 CO 0.00 -0.04 1.38 -2.30 -0.68 0.00 0.00 175.30 173.66 1xsk n PRO 261 N 4.09 2.22 -1.68 3.54 -0.02 -1.25 -4.35 135.00 137.55 1xsk n PRO 261 Ca 0.02 0.78 -0.30 0.00 -2.02 0.00 0.00 63.50 61.98 1xsk n PRO 261 Cb 0.51 -2.42 0.07 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.63 2.56 -0.40 3.55 0.00 -1.25 -4.17 121.76 121.43 1xsk s ALA 262 Ca 0.60 -0.20 -0.20 0.00 0.00 0.00 0.00 51.96 52.16 1xsk s ALA 262 Cb -0.58 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1xsk s ALA 262 CO 0.57 -1.41 0.62 -1.17 0.00 0.00 0.00 175.76 174.36 1xsk s LEU 263 N -5.58 4.40 0.56 0.00 2.96 -1.26 -4.78 118.68 114.99 1xsk s LEU 263 Ca 0.59 -0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 54.19 1xsk s LEU 263 Cb -0.13 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.79 1xsk s LEU 263 CO 0.54 -0.67 1.08 -2.84 -1.32 0.00 0.00 176.35 173.13 1xsk s PRO 264 N 2.72 3.36 0.58 0.98 0.02 -1.26 -4.91 135.00 136.49 1xsk s PRO 264 Ca 0.23 1.40 -0.20 0.00 0.02 0.00 0.00 61.00 62.45 1xsk s PRO 264 Cb -0.14 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 1xsk s PRO 264 CO 0.17 -0.80 1.25 -1.25 -0.33 0.00 0.00 177.00 176.04 1xsk s PRO 265 N -3.63 2.97 0.29 5.54 0.04 -1.24 -4.90 135.00 134.08 1xsk s PRO 265 Ca 0.68 1.96 0.04 0.00 0.04 0.00 0.00 61.00 63.72 1xsk s PRO 265 Cb -0.19 -2.01 0.69 0.00 0.04 0.00 0.00 34.50 33.02 1xsk s PRO 265 CO 0.30 -1.24 1.78 0.00 0.04 0.00 0.00 177.00 177.88 1xsk h ALA 266 N 1.02 1.59 -0.16 8.56 0.00 -1.90 -1.40 119.26 126.96 1xsk h ALA 266 Ca -0.51 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1xsk h ALA 266 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1xsk h ALA 266 CO 0.55 -0.03 0.11 0.11 0.00 0.00 0.00 179.25 179.99 1xsk h TRP 267 N 0.76 0.18 0.00 0.00 5.08 -1.90 -0.87 115.95 119.20 1xsk h TRP 267 Ca 0.55 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.53 1xsk h TRP 267 Cb 0.83 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 1xsk h TRP 267 CO -0.02 0.11 0.00 0.66 -1.28 0.00 0.00 178.44 177.91 1xsk h SER 268 N 0.19 0.00 0.26 0.11 4.64 -1.61 -0.95 113.55 116.19 1xsk h SER 268 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1xsk h SER 268 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1xsk h SER 268 CO -0.01 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.44 1xsk n PHE 269 N -2.95 0.00 -0.44 4.77 3.72 -0.33 -4.77 117.46 117.46 1xsk n PHE 269 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1xsk n PHE 269 Cb 0.12 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.98 -1.27 3.80 1.37 0.00 -0.36 -4.76 105.19 104.95 1xsk n GLY 270 Ca 0.18 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 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 4.49 -0.06 0.99 2.96 -1.26 -4.24 118.68 121.56 1xsk s LEU 271 Ca 0.00 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 1xsk s LEU 271 Cb 0.00 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 1xsk s LEU 271 CO 0.00 0.22 -0.08 0.26 -1.32 0.00 0.00 176.35 175.43 1xsk s TRP 272 N -0.81 2.91 0.03 5.38 0.52 -0.49 -1.94 118.94 124.55 1xsk s TRP 272 Ca 0.29 -0.00 0.05 0.00 0.02 0.00 0.00 56.10 56.47 1xsk s TRP 272 Cb -0.19 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 1xsk s TRP 272 CO 0.18 0.32 -0.15 -1.17 0.02 0.00 0.00 176.95 176.14 1xsk s LEU 273 N -0.83 2.15 0.32 2.99 1.98 -0.63 -0.88 118.68 123.78 1xsk s LEU 273 Ca 0.13 -0.45 0.10 0.00 -2.89 0.00 0.00 54.13 51.02 1xsk s LEU 273 Cb -0.11 -0.70 -0.06 0.00 0.66 0.00 0.00 46.19 45.99 1xsk s LEU 273 CO 0.02 0.08 -0.12 0.28 -1.89 0.00 0.00 176.35 174.71 1xsk s THR 274 N -0.78 2.42 -1.08 3.68 -1.32 -0.55 -0.81 115.64 117.20 1xsk s THR 274 Ca 0.03 -2.25 0.26 0.00 -1.21 0.00 0.00 61.69 58.52 1xsk s THR 274 Cb -0.08 -2.54 0.26 0.00 -1.51 0.00 0.00 72.50 68.63 1xsk s THR 274 CO 0.01 -0.28 1.84 0.35 -2.21 0.00 0.00 174.62 174.32 1xsk n THR 275 N -0.75 0.22 -0.06 5.08 -2.24 -1.01 -4.74 114.28 110.78 1xsk n THR 275 Ca -0.05 0.06 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1xsk n THR 275 Cb 0.62 -0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1xsk n THR 275 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsk n SER 276 N -1.46 -0.36 0.00 3.42 7.64 -1.26 -4.70 113.62 116.90 1xsk n SER 276 Ca 0.07 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1xsk n SER 276 Cb 0.28 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.24 0.00 -1.17 1.43 7.35 0.14 -4.55 117.46 118.42 1xsk n PHE 277 Ca -0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 1xsk n PHE 277 Cb 0.03 -0.18 0.24 0.00 0.35 0.00 0.00 39.48 39.92 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 -1.03 2.95 -2.77 -2.13 -2.24 0.53 -4.65 114.28 104.94 1xsk n THR 278 Ca 0.00 -1.92 -0.25 0.00 -2.27 0.00 0.00 64.05 59.61 1xsk n THR 278 Cb 0.00 -0.39 0.01 0.00 -2.10 0.00 0.00 70.33 67.85 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 -3.14 4.21 0.54 4.28 -4.23 -1.26 -4.94 115.64 111.10 1xsk s THR 279 Ca 0.54 -0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 60.70 1xsk s THR 279 Cb 0.45 -3.60 -0.07 0.00 1.34 0.00 0.00 72.50 70.62 1xsk s THR 279 CO 0.10 -0.51 1.00 0.20 -0.54 0.00 0.00 174.62 174.87 1xsk s ASN 280 N -4.20 6.53 -0.28 3.99 -0.87 -1.26 -5.00 114.94 113.85 1xsk s ASN 280 Ca 0.49 1.54 -0.27 0.00 -1.57 0.00 0.00 52.86 53.05 1xsk s ASN 280 Cb -0.10 -2.50 0.18 0.00 -0.02 0.00 0.00 41.25 38.81 1xsk s ASN 280 CO 0.41 -0.66 1.35 -0.72 -2.57 0.00 0.00 177.10 174.92 1xsk s TYR 281 N -2.74 -0.11 0.15 2.20 1.13 -1.26 -5.04 117.35 111.68 1xsk s TYR 281 Ca 0.58 0.23 -0.01 0.00 -1.41 0.00 0.00 57.07 56.46 1xsk s TYR 281 Cb -0.10 0.47 0.00 0.00 -1.10 0.00 0.00 41.96 41.24 1xsk s TYR 281 CO 0.36 -0.07 0.21 -0.40 -2.51 0.00 0.00 175.55 173.15 1xsk n ASP 282 N 1.25 -0.60 -0.19 -0.18 3.85 -1.26 -4.99 116.55 114.43 1xsk n ASP 282 Ca -0.07 -1.79 -0.00 0.00 -0.71 0.00 0.00 54.79 52.21 1xsk n ASP 282 Cb 0.57 1.11 0.10 0.00 -1.35 0.00 0.00 41.12 41.55 1xsk n ASP 282 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1xsk h GLU 283 N 0.00 0.28 -1.01 0.11 4.81 -1.98 -1.88 114.58 114.91 1xsk h GLU 283 Ca -0.12 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1xsk h GLU 283 Cb 0.50 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 1xsk h GLU 283 CO 0.16 0.19 0.65 0.00 -0.73 0.00 0.00 179.01 179.27 1xsk h ALA 284 N 1.44 1.40 -0.31 2.92 0.00 -1.97 -1.87 119.26 120.88 1xsk h ALA 284 Ca 0.30 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1xsk h ALA 284 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xsk h ALA 284 CO -0.36 0.44 -0.39 1.15 0.00 0.00 0.00 179.25 180.09 1xsk h THR 285 N 1.18 1.29 0.72 0.00 2.02 -1.76 -0.66 112.91 115.69 1xsk h THR 285 Ca 0.44 -1.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.03 1xsk h THR 285 Cb 0.18 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1xsk h THR 285 CO -0.18 0.50 -0.37 0.58 0.37 0.00 0.00 175.52 176.42 1xsk h VAL 286 N 0.60 0.00 -0.93 3.16 2.07 -0.69 -2.03 116.25 118.43 1xsk h VAL 286 Ca 0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.73 1xsk h VAL 286 Cb 0.93 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 1xsk h VAL 286 CO 0.08 0.00 0.59 0.78 0.02 0.00 0.00 177.57 179.05 1xsk h ASN 287 N -1.00 0.69 -0.43 0.57 2.35 -1.39 -0.35 115.58 116.03 1xsk h ASN 287 Ca -0.10 0.05 0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1xsk h ASN 287 Cb 0.78 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 39.01 1xsk h ASN 287 CO 0.14 0.33 0.13 -1.28 -1.65 0.00 0.00 177.43 175.10 1xsk h SER 288 N 0.72 0.10 -0.13 5.81 0.87 -0.86 0.20 113.55 120.27 1xsk h SER 288 Ca 0.48 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 61.09 1xsk h SER 288 Cb 0.76 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1xsk h SER 288 CO -0.24 0.09 0.03 -0.26 -0.53 0.00 0.00 176.83 175.92 1xsk h PHE 289 N 0.28 0.22 0.12 2.24 0.04 -0.36 -1.11 116.94 118.38 1xsk h PHE 289 Ca 0.21 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1xsk h PHE 289 Cb 0.22 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1xsk h PHE 289 CO -0.17 0.38 -0.11 0.82 -0.60 0.00 0.00 178.31 178.62 1xsk h ILE 290 N 0.00 0.75 -0.38 -0.55 2.04 -0.84 -1.24 117.51 117.30 1xsk h ILE 290 Ca 0.04 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 1xsk h ILE 290 Cb 0.27 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1xsk h ILE 290 CO 0.00 0.00 -0.06 0.44 0.00 0.00 0.00 178.15 178.53 1xsk h ASP 291 N -0.26 0.60 -0.10 1.72 3.32 -0.67 -2.17 116.42 118.86 1xsk h ASP 291 Ca 0.00 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1xsk h ASP 291 Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1xsk h ASP 291 CO -0.02 0.71 0.06 1.23 -1.72 0.00 0.00 179.24 179.50 1xsk h GLY 292 N 0.93 0.17 0.54 2.75 0.00 -0.64 0.16 103.07 106.98 1xsk h GLY 292 Ca 0.11 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1xsk h GLY 292 CO 0.02 0.07 -0.46 -0.33 0.00 0.00 0.00 176.54 175.83 1xsk h MET 293 N 0.17 0.24 -0.50 4.80 2.86 -0.72 -3.12 114.93 118.66 1xsk h MET 293 Ca 0.04 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.40 1xsk h MET 293 Cb 0.02 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1xsk h MET 293 CO -0.01 1.07 0.28 0.00 1.06 0.00 0.00 176.91 179.31 1xsk h ALA 294 N 0.19 0.64 -0.96 6.32 0.00 -0.88 0.07 119.26 124.64 1xsk h ALA 294 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1xsk h ALA 294 Cb 1.26 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1xsk h ALA 294 CO 0.09 -0.04 0.58 0.93 0.00 0.00 0.00 179.25 180.81 1xsk h GLU 295 N 0.55 0.89 -0.16 0.00 5.08 -0.80 0.21 114.58 120.36 1xsk h GLU 295 Ca 0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xsk h GLU 295 Cb 0.06 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1xsk h GLU 295 CO -0.11 0.59 0.00 0.54 -1.00 0.00 0.00 179.01 179.03 1xsk n ARG 296 N -4.67 1.51 -3.58 2.33 1.74 -0.72 -4.92 116.66 108.36 1xsk n ARG 296 Ca 0.18 -0.78 -0.20 0.00 -0.77 0.00 0.00 57.85 56.28 1xsk n ARG 296 Cb 0.35 -1.29 0.06 0.00 -1.02 0.00 0.00 32.46 30.57 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 0.05 -2.52 -4.16 0.55 3.02 0.73 -4.97 115.26 107.96 1xsk n ASN 297 Ca 0.12 -0.69 -0.37 0.00 -0.03 0.00 0.00 54.58 53.62 1xsk n ASN 297 Cb 0.22 -4.66 -0.11 0.00 -0.61 0.00 0.00 39.78 34.61 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 -6.66 5.05 0.35 3.41 1.43 -0.08 -4.93 118.68 117.26 1xsk s LEU 298 Ca 0.13 -1.82 -0.26 0.00 -1.03 0.00 0.00 54.13 51.15 1xsk s LEU 298 Cb -0.06 -1.85 -0.12 0.00 0.03 0.00 0.00 46.19 44.19 1xsk s LEU 298 CO 0.77 -0.51 1.02 -2.65 0.23 0.00 0.00 176.35 175.21 1xsk n PRO 299 N 4.67 1.41 -3.77 1.29 -0.02 -1.26 -4.34 135.00 132.98 1xsk n PRO 299 Ca -0.06 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.80 1xsk n PRO 299 Cb 0.42 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.81 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 -0.05 0.83 0.00 2.45 1.98 -1.26 -4.82 118.68 117.81 1xsk s LEU 300 Ca 0.60 0.47 0.00 0.00 -2.89 0.00 0.00 54.13 52.31 1xsk s LEU 300 Cb -0.62 0.72 0.00 0.00 0.66 0.00 0.00 46.19 46.95 1xsk s LEU 300 CO 0.59 -0.12 0.00 1.41 -1.89 0.00 0.00 176.35 176.34 1xsk n HIS 301 N 3.55 0.00 -4.04 5.38 8.25 -0.82 -4.85 115.22 122.69 1xsk n HIS 301 Ca -0.19 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.12 1xsk n HIS 301 Cb 0.56 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.74 0.27 -0.13 1.59 1.01 -0.85 -0.99 120.40 119.56 1xsk s VAL 302 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1xsk s VAL 302 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 1xsk s VAL 302 CO 0.00 0.09 -0.18 0.12 0.00 0.00 0.00 175.10 175.14 1xsk s PHE 303 N 0.14 2.71 -0.18 5.22 5.36 0.00 -1.61 117.98 129.64 1xsk s PHE 303 Ca -0.01 -0.95 -0.05 0.00 -0.96 0.00 0.00 56.93 54.96 1xsk s PHE 303 Cb -0.04 -1.81 -0.03 0.00 -0.34 0.00 0.00 43.02 40.80 1xsk s PHE 303 CO -0.00 -0.39 0.01 -1.58 -1.46 0.00 0.00 175.22 171.79 1xsk s HIS 304 N 0.53 3.09 -0.32 10.12 5.65 0.01 -1.84 115.29 132.52 1xsk s HIS 304 Ca -0.11 -0.24 -0.14 0.00 0.25 0.00 0.00 55.06 54.82 1xsk s HIS 304 Cb -0.16 -2.04 -0.02 0.00 -1.18 0.00 0.00 32.58 29.18 1xsk s HIS 304 CO 0.04 -0.05 0.33 -0.06 -0.65 0.00 0.00 174.74 174.35 1xsk s PHE 305 N 0.59 3.22 0.00 3.88 0.08 0.11 -2.41 117.98 123.45 1xsk s PHE 305 Ca -0.00 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.07 1xsk s PHE 305 Cb -0.14 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.72 1xsk s PHE 305 CO 0.02 -0.36 0.00 -3.47 -0.10 0.00 0.00 175.22 171.31 1xsk n ASP 306 N 5.30 0.00 -0.36 1.36 2.03 -1.26 -1.09 116.55 122.53 1xsk n ASP 306 Ca -0.10 -0.36 0.02 0.00 0.52 0.00 0.00 54.79 54.87 1xsk n ASP 306 Cb 0.50 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.98 1xsk n ASP 306 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xsk n PHE 308 N -5.48 0.00 0.92 0.00 3.72 -1.26 -1.97 117.46 113.39 1xsk n PHE 308 Ca 0.12 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.65 1xsk n PHE 308 Cb 0.43 -0.01 0.56 0.00 -0.94 0.00 0.00 39.48 39.52 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 -0.26 0.00 -4.40 1.38 4.27 -0.97 -4.70 117.44 112.75 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 0.02 -0.48 -0.10 0.00 -1.36 0.00 0.00 31.31 29.38 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 -2.96 1.76 0.40 -2.67 -1.94 -0.83 -1.02 119.30 112.04 1xsk s MET 310 Ca 0.14 -1.54 -0.27 0.00 -1.71 0.00 0.00 55.69 52.30 1xsk s MET 310 Cb 0.17 -1.92 -0.10 0.00 2.01 0.00 0.00 34.83 34.99 1xsk s MET 310 CO 0.47 0.38 1.48 0.15 -0.01 0.00 0.00 175.02 177.48 1xsk s LYS 311 N -3.09 3.99 0.56 2.03 1.02 -1.26 -4.75 119.74 118.25 1xsk s LYS 311 Ca 0.26 2.55 -0.20 0.00 0.02 0.00 0.00 55.97 58.60 1xsk s LYS 311 Cb -0.07 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.30 1xsk s LYS 311 CO 0.14 -0.62 0.96 0.00 -0.92 0.00 0.00 175.35 174.91 1xsk n ALA 312 N 0.28 0.16 -0.57 5.17 0.00 -1.26 -2.17 120.51 122.11 1xsk n ALA 312 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1xsk n ALA 312 Cb 0.40 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.45 0.00 -0.32 0.00 3.72 -1.26 -4.71 117.46 113.44 1xsk n PHE 313 Ca 0.12 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.58 1xsk n PHE 313 Cb 0.46 -1.20 0.15 0.00 -0.94 0.00 0.00 39.48 37.94 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 -2.00 2.85 -1.57 -1.08 6.02 -0.92 -4.04 117.38 116.63 1xsk n GLN 314 Ca 0.00 -2.12 -0.61 0.00 -0.01 0.00 0.00 57.00 54.26 1xsk n GLN 314 Cb 0.00 -1.33 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 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 0.12 1.65 -1.87 1.08 8.01 -1.25 -3.12 117.44 122.06 1xsk n TRP 315 Ca 0.12 0.79 -0.02 0.00 -1.31 0.00 0.00 57.50 57.08 1xsk n TRP 315 Cb 0.48 -2.34 0.01 0.00 -2.01 0.00 0.00 31.31 27.46 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 -1.60 2.03 -2.29 0.00 5.75 -1.18 -4.76 116.55 114.49 1xsk n ASP 317 Ca -0.02 -1.58 -0.21 0.00 -0.01 0.00 0.00 54.79 52.98 1xsk n ASP 317 Cb 0.52 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.53 1xsk n ASP 317 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1xsk n PHE 318 N 0.35 -0.89 -3.79 2.11 3.72 -1.26 -4.98 117.46 112.72 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 0.26 -3.91 -0.13 0.00 -0.94 0.00 0.00 39.48 34.76 1xsk n PHE 318 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1xsk s GLU 319 N -4.91 3.63 0.13 -1.08 2.56 -1.26 -5.05 118.70 112.71 1xsk s GLU 319 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 54.97 54.17 1xsk s GLU 319 Cb 0.00 -3.28 -0.09 0.00 2.00 0.00 0.00 34.13 32.75 1xsk s GLU 319 CO 0.00 -0.17 1.61 -1.58 -0.56 0.00 0.00 175.26 174.56 1xsk s TRP 320 N 1.55 2.78 -0.23 5.30 0.52 -1.26 -4.02 118.94 123.58 1xsk s TRP 320 Ca 0.06 0.48 -0.28 0.00 0.02 0.00 0.00 56.10 56.38 1xsk s TRP 320 Cb -0.15 -3.95 -0.05 0.00 -1.15 0.00 0.00 33.47 28.17 1xsk s TRP 320 CO 0.03 -3.66 2.21 0.34 0.02 0.00 0.00 176.95 175.89 1xsk s ASP 321 N 1.69 5.44 0.28 2.95 -1.08 -0.19 -4.83 116.67 120.94 1xsk s ASP 321 Ca 0.72 1.85 0.19 0.00 -0.52 0.00 0.00 52.55 54.79 1xsk s ASP 321 Cb -0.42 -2.51 1.03 0.00 -1.46 0.00 0.00 42.92 39.55 1xsk s ASP 321 CO 0.32 -1.97 1.57 -2.65 0.52 0.00 0.00 175.17 172.96 1xsk n PRO 322 N 8.76 0.12 0.00 4.34 -0.02 -1.26 -0.77 135.00 146.17 1xsk n PRO 322 Ca 0.30 0.62 0.10 0.00 -2.02 0.00 0.00 63.50 62.50 1xsk n PRO 322 Cb 0.45 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 31.92 1xsk n PRO 322 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xsk n LEU 323 N -2.16 1.15 -0.00 2.45 4.77 -1.26 -3.84 117.00 118.10 1xsk n LEU 323 Ca -0.01 -0.54 0.01 0.00 -0.03 0.00 0.00 56.01 55.43 1xsk n LEU 323 Cb 0.04 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1xsk n LEU 323 CO 0.08 0.27 -0.53 0.41 -1.33 0.00 0.00 177.39 176.29 1xsk n THR 324 N -1.26 0.02 -3.11 -5.08 -1.04 -0.83 -4.84 114.28 98.14 1xsk n THR 324 Ca 0.05 -0.05 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 1xsk n THR 324 Cb 0.35 0.16 -0.05 0.00 -1.82 0.00 0.00 70.33 68.97 1xsk n THR 324 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1xsk n PHE 325 N -1.67 -0.91 -0.10 -1.42 3.72 0.05 -3.43 117.46 113.71 1xsk n PHE 325 Ca -0.01 -3.23 0.11 0.00 -0.05 0.00 0.00 57.45 54.27 1xsk n PHE 325 Cb 0.15 0.01 0.48 0.00 -0.94 0.00 0.00 39.48 39.18 1xsk n PHE 325 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xsk h PRO 326 N 3.95 0.44 -2.48 -1.08 0.11 -1.75 -3.31 132.00 127.88 1xsk h PRO 326 Ca 0.03 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 1xsk h PRO 326 Cb 0.91 -0.10 -0.40 0.00 0.11 0.00 0.00 31.00 31.53 1xsk h PRO 326 CO 0.44 0.29 -0.85 -3.47 -0.21 0.00 0.00 178.00 174.20 1xsk n ASP 327 N -4.47 1.01 0.03 -2.05 2.03 -1.26 -4.99 116.55 106.85 1xsk n ASP 327 Ca 0.10 -2.76 -0.11 0.00 0.52 0.00 0.00 54.79 52.54 1xsk n ASP 327 Cb 0.36 -0.63 -0.05 0.00 -0.72 0.00 0.00 41.12 40.08 1xsk n ASP 327 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xsk h PRO 328 N 5.13 -0.41 -0.16 -0.67 0.11 -1.99 0.12 132.00 134.13 1xsk h PRO 328 Ca 0.20 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1xsk h PRO 328 Cb 0.84 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1xsk h PRO 328 CO 0.53 -0.27 0.10 0.93 -0.21 0.00 0.00 178.00 179.08 1xsk h GLU 329 N -0.42 0.21 -0.26 1.05 3.07 -1.94 -0.87 114.58 115.40 1xsk h GLU 329 Ca 0.08 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1xsk h GLU 329 Cb 0.54 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1xsk h GLU 329 CO -0.30 0.16 0.14 0.78 -1.40 0.00 0.00 179.01 178.39 1xsk h GLY 330 N 0.20 0.35 1.40 -3.84 0.00 -1.90 -0.18 103.07 99.11 1xsk h GLY 330 Ca 0.06 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.29 1xsk h GLY 330 CO -0.01 0.08 0.40 1.98 0.00 0.00 0.00 176.54 178.99 1xsk h MET 331 N 0.29 0.80 -0.20 4.80 1.85 -0.78 -2.22 114.93 119.47 1xsk h MET 331 Ca 0.11 -0.05 -0.16 0.00 -0.61 0.00 0.00 59.70 58.98 1xsk h MET 331 Cb 0.02 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 31.87 1xsk h MET 331 CO -0.07 0.53 -0.51 0.82 -0.40 0.00 0.00 176.91 177.29 1xsk h ILE 332 N 0.83 1.31 -0.90 1.77 2.04 -0.50 -2.44 117.51 119.62 1xsk h ILE 332 Ca 0.22 -1.73 0.04 0.00 1.00 0.00 0.00 64.86 64.39 1xsk h ILE 332 Cb -0.09 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1xsk h ILE 332 CO -0.05 0.54 0.58 0.03 0.00 0.00 0.00 178.15 179.26 1xsk h ARG 333 N 0.41 1.08 -0.40 2.37 3.08 -0.71 -1.30 114.38 118.91 1xsk h ARG 333 Ca -0.01 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1xsk h ARG 333 Cb 1.12 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1xsk h ARG 333 CO 0.11 0.72 0.18 0.00 -1.07 0.00 0.00 179.97 179.91 1xsk h ARG 334 N 1.12 0.58 -0.48 0.04 3.08 -1.34 -0.92 114.38 116.47 1xsk h ARG 334 Ca 0.36 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1xsk h ARG 334 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1xsk h ARG 334 CO -0.12 0.53 0.17 -0.07 -1.07 0.00 0.00 179.97 179.40 1xsk h LEU 335 N 0.51 0.63 -0.53 3.04 3.38 -0.99 -1.96 115.31 119.39 1xsk h LEU 335 Ca 0.14 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1xsk h LEU 335 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1xsk h LEU 335 CO -0.02 0.59 -0.18 0.50 0.09 0.00 0.00 178.44 179.43 1xsk h LYS 336 N 0.68 1.00 0.00 1.13 3.64 -0.82 -1.64 116.57 120.57 1xsk h LYS 336 Ca 0.16 -0.41 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1xsk h LYS 336 Cb 0.18 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xsk h LYS 336 CO -0.01 1.09 -0.01 0.00 -2.27 0.00 0.00 179.45 178.25 1xsk h ALA 337 N 0.91 1.06 -0.31 5.00 0.00 -0.43 0.56 119.26 126.04 1xsk h ALA 337 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xsk h ALA 337 Cb 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1xsk h ALA 337 CO 0.06 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.95 1xsk n LYS 338 N -3.19 2.70 -1.72 0.00 5.02 -0.64 -4.89 118.16 115.44 1xsk n LYS 338 Ca -0.02 -1.54 -0.10 0.00 -2.02 0.00 0.00 58.31 54.63 1xsk n LYS 338 Cb 0.12 -1.74 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 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 0.52 0.58 3.76 0.72 0.00 0.20 -5.03 105.19 105.93 1xsk n GLY 339 Ca 0.14 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.54 3.77 0.21 0.99 1.43 -1.04 -4.83 118.68 116.67 1xsk s LEU 340 Ca 0.00 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1xsk s LEU 340 Cb 0.00 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 1xsk s LEU 340 CO 0.00 0.18 0.44 -0.54 0.23 0.00 0.00 176.35 176.66 1xsk s LYS 341 N -2.34 3.59 -0.10 1.70 -0.14 -0.16 -4.26 119.74 118.03 1xsk s LYS 341 Ca 0.28 -0.16 0.03 0.00 -1.36 0.00 0.00 55.97 54.77 1xsk s LYS 341 Cb -0.12 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 1xsk s LYS 341 CO 0.21 0.36 -0.22 0.42 -0.76 0.00 0.00 175.35 175.36 1xsk s ILE 342 N -1.87 1.94 -0.04 2.17 1.09 -1.26 -0.82 121.20 122.42 1xsk s ILE 342 Ca 0.41 -0.94 0.06 0.00 -1.10 0.00 0.00 60.65 59.07 1xsk s ILE 342 Cb -0.11 -1.70 -0.01 0.00 -1.06 0.00 0.00 42.46 39.58 1xsk s ILE 342 CO 0.28 0.53 -0.21 0.00 -0.10 0.00 0.00 174.94 175.44 1xsk s VAL 344 N -0.21 1.72 0.34 0.00 -7.23 -1.14 -0.71 120.40 113.16 1xsk s VAL 344 Ca 0.01 -1.43 -0.28 0.00 -1.81 0.00 0.00 61.98 58.47 1xsk s VAL 344 Cb -0.11 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.20 1xsk s VAL 344 CO 0.02 0.04 1.18 0.86 -0.31 0.00 0.00 175.10 176.89 1xsk s TRP 345 N -1.03 3.24 0.15 2.82 -0.00 -0.25 -1.64 118.94 122.23 1xsk s TRP 345 Ca 0.07 1.56 -0.12 0.00 -0.00 0.00 0.00 56.10 57.62 1xsk s TRP 345 Cb -0.10 -3.44 0.01 0.00 -0.00 0.00 0.00 33.47 29.94 1xsk s TRP 345 CO 0.03 -1.21 0.33 0.96 -0.00 0.00 0.00 176.95 177.06 1xsk s ILE 346 N -1.25 0.07 0.29 5.86 -4.36 -0.69 -4.87 121.20 116.24 1xsk s ILE 346 Ca 0.50 -1.09 -0.17 0.00 -0.26 0.00 0.00 60.65 59.64 1xsk s ILE 346 Cb -0.34 -1.57 0.02 0.00 1.25 0.00 0.00 42.46 41.82 1xsk s ILE 346 CO 0.43 -0.34 0.63 0.54 0.24 0.00 0.00 174.94 176.45 1xsk s ASN 347 N -2.90 -0.11 -0.11 4.36 6.03 -1.26 -1.73 114.94 119.22 1xsk s ASN 347 Ca 0.11 -0.83 0.10 0.00 -1.03 0.00 0.00 52.86 51.21 1xsk s ASN 347 Cb 0.03 0.69 0.49 0.00 -3.03 0.00 0.00 41.25 39.43 1xsk s ASN 347 CO -0.05 -1.32 1.31 -0.81 -2.03 0.00 0.00 177.10 174.20 1xsk n PRO 348 N -0.45 3.09 -4.50 3.55 -0.04 -1.26 -4.92 135.00 130.47 1xsk n PRO 348 Ca -0.03 -1.92 -0.27 0.00 -0.04 0.00 0.00 63.50 61.23 1xsk n PRO 348 Cb 0.60 -1.81 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.91 2.51 -0.23 0.54 2.02 -1.26 -1.95 117.35 117.08 1xsk s TYR 349 Ca 0.34 -0.66 -0.08 0.00 -0.37 0.00 0.00 57.07 56.30 1xsk s TYR 349 Cb 0.24 -1.82 0.10 0.00 -0.40 0.00 0.00 41.96 40.08 1xsk s TYR 349 CO 0.13 0.37 0.49 -1.50 -1.57 0.00 0.00 175.55 173.47 1xsk s ILE 350 N -2.69 -0.76 0.63 2.71 2.07 -0.73 -4.40 121.20 118.03 1xsk s ILE 350 Ca 0.35 0.12 -0.17 0.00 -1.41 0.00 0.00 60.65 59.54 1xsk s ILE 350 Cb 0.08 -0.77 -0.02 0.00 0.13 0.00 0.00 42.46 41.89 1xsk s ILE 350 CO 0.19 0.05 1.15 -0.83 -1.91 0.00 0.00 174.94 173.58 1xsk s GLY 351 N 2.70 2.43 0.37 1.50 0.00 -1.24 -1.98 107.32 111.10 1xsk s GLY 351 Ca -0.03 0.77 0.11 0.00 0.00 0.00 0.00 44.72 45.57 1xsk s GLY 351 CO -0.15 1.14 1.84 -1.61 0.00 0.00 0.00 173.10 174.32 1xsk h GLN 352 N 0.46 0.11 -0.61 2.90 4.15 -1.44 -3.11 115.11 117.57 1xsk h GLN 352 Ca -0.48 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 58.96 1xsk h GLN 352 Cb 1.27 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.91 1xsk h GLN 352 CO 0.54 0.40 0.40 -0.22 -1.93 0.00 0.00 178.83 178.03 1xsk h LYS 353 N 0.10 0.59 -6.57 1.69 3.64 -1.79 -3.43 116.57 110.79 1xsk h LYS 353 Ca 0.01 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.78 1xsk h LYS 353 Cb 0.59 -0.13 0.07 0.00 -0.41 0.00 0.00 32.23 32.34 1xsk h LYS 353 CO 0.04 0.39 0.75 0.45 -2.27 0.00 0.00 179.45 178.81 1xsk n SER 354 N -4.47 3.09 0.31 4.20 2.88 -1.18 -4.84 113.62 113.60 1xsk n SER 354 Ca 0.08 1.11 0.19 0.00 -1.33 0.00 0.00 58.87 58.92 1xsk n SER 354 Cb 0.22 -1.45 1.03 0.00 -0.75 0.00 0.00 64.21 63.27 1xsk n SER 354 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1xsk h PRO 355 N 5.26 0.00 0.00 -1.46 0.11 -1.91 -1.46 132.00 132.54 1xsk h PRO 355 Ca -0.45 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 1xsk h PRO 355 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1xsk h PRO 355 CO 0.84 0.00 -0.68 0.28 -0.21 0.00 0.00 178.00 178.23 1xsk h VAL 356 N 0.00 1.38 -0.54 3.15 2.07 -1.92 -3.33 116.25 117.05 1xsk h VAL 356 Ca 0.01 -2.43 0.10 0.00 0.82 0.00 0.00 66.70 65.21 1xsk h VAL 356 Cb 0.15 2.35 -0.11 0.00 -1.52 0.00 0.00 31.29 32.16 1xsk h VAL 356 CO -0.00 0.67 -0.33 0.15 0.02 0.00 0.00 177.57 178.08 1xsk h PHE 357 N 0.00 -0.90 -0.05 1.57 3.04 -1.53 0.29 116.94 119.35 1xsk h PHE 357 Ca -0.01 0.07 0.01 0.00 3.98 0.00 0.00 57.97 62.03 1xsk h PHE 357 Cb 1.29 0.47 -0.00 0.00 2.56 0.00 0.00 35.95 40.28 1xsk h PHE 357 CO 0.00 -0.38 0.04 -0.22 -2.02 0.00 0.00 178.31 175.74 1xsk h LYS 358 N -0.18 0.00 -0.07 1.11 3.64 -1.75 0.49 116.57 119.80 1xsk h LYS 358 Ca 0.22 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1xsk h LYS 358 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1xsk h LYS 358 CO -0.64 0.00 -0.33 1.49 -2.27 0.00 0.00 179.45 177.70 1xsk h GLU 359 N 0.00 0.35 -0.64 1.90 4.81 -0.65 -2.50 114.58 117.85 1xsk h GLU 359 Ca 0.02 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 1xsk h GLU 359 Cb 0.11 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1xsk h GLU 359 CO -0.00 0.92 0.14 -0.07 -0.73 0.00 0.00 179.01 179.27 1xsk h LEU 360 N -0.13 0.95 0.78 1.64 3.38 -0.44 -2.24 115.31 119.25 1xsk h LEU 360 Ca -0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1xsk h LEU 360 Cb 0.97 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1xsk h LEU 360 CO 0.07 0.93 -0.37 -0.61 0.09 0.00 0.00 178.44 178.54 1xsk h GLN 361 N 0.96 -1.01 -0.55 1.13 4.15 -0.96 -0.44 115.11 118.40 1xsk h GLN 361 Ca 0.20 0.07 0.16 0.00 0.77 0.00 0.00 58.65 59.85 1xsk h GLN 361 Cb 0.36 0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1xsk h GLN 361 CO 0.00 -0.67 0.54 0.93 -1.93 0.00 0.00 178.83 177.70 1xsk h GLU 362 N -1.16 0.00 0.00 1.69 5.08 -1.41 0.14 114.58 118.91 1xsk h GLU 362 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1xsk h GLU 362 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1xsk h GLU 362 CO 0.18 0.00 -0.89 1.63 -1.00 0.00 0.00 179.01 178.92 1xsk n LYS 363 N -3.79 0.32 -1.92 2.33 5.02 -0.85 -4.98 118.16 114.29 1xsk n LYS 363 Ca 0.11 0.04 -0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1xsk n LYS 363 Cb 0.75 -1.64 -0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 1.34 0.37 0.30 0.72 0.00 0.48 -4.96 105.19 103.44 1xsk n GLY 364 Ca 0.02 -0.90 0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.92 0.00 -4.00 1.61 4.01 -0.55 -4.89 117.16 109.42 1xsk n TYR 365 Ca -0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 1xsk n TYR 365 Cb 0.46 -0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 39.36 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 -2.27 4.04 -0.06 7.72 1.43 -1.26 -1.06 118.68 127.22 1xsk s LEU 366 Ca 0.32 0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 1xsk s LEU 366 Cb 0.20 -2.68 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 1xsk s LEU 366 CO 0.43 0.17 2.06 -0.22 0.23 0.00 0.00 176.35 179.02 1xsk s LEU 367 N -2.43 4.05 0.23 1.79 2.96 0.57 -4.72 118.68 121.13 1xsk s LEU 367 Ca 0.32 2.36 0.03 0.00 -0.22 0.00 0.00 54.13 56.62 1xsk s LEU 367 Cb -0.13 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1xsk s LEU 367 CO 0.24 -1.40 0.37 -0.54 -1.32 0.00 0.00 176.35 173.70 1xsk s LYS 368 N 5.18 3.46 0.74 1.98 1.02 -1.26 -1.71 119.74 129.14 1xsk s LYS 368 Ca 0.93 -0.61 -0.08 0.00 0.02 0.00 0.00 55.97 56.22 1xsk s LYS 368 Cb -0.39 -2.87 0.07 0.00 -0.52 0.00 0.00 37.83 34.12 1xsk s LYS 368 CO 0.39 0.41 1.06 1.03 -0.92 0.00 0.00 175.35 177.33 1xsk s ARG 369 N -3.75 2.14 0.29 1.68 0.52 0.28 -1.80 118.95 118.31 1xsk s ARG 369 Ca 0.35 -0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 1xsk s ARG 369 Cb -0.10 -2.10 0.60 0.00 0.52 0.00 0.00 34.95 33.87 1xsk s ARG 369 CO 0.30 -1.34 1.82 -1.35 0.02 0.00 0.00 175.30 174.74 1xsk h PRO 370 N -0.74 0.90 0.00 3.54 0.11 -1.86 -0.73 132.00 133.22 1xsk h PRO 370 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xsk h PRO 370 Cb 1.32 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xsk h PRO 370 CO 0.62 0.59 0.00 -0.40 -0.21 0.00 0.00 178.00 178.60 1xsk n ASP 371 N -4.67 0.00 0.00 -2.05 5.68 -1.26 -4.84 116.55 109.42 1xsk n ASP 371 Ca 0.20 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.88 1xsk n ASP 371 Cb 0.42 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 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 -0.29 0.43 3.90 6.12 0.00 -0.28 -5.08 105.19 109.99 1xsk n GLY 372 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.97 5.58 0.48 1.61 1.04 -1.26 -4.72 113.70 114.46 1xsk s SER 373 Ca 0.00 0.87 -0.21 0.00 0.48 0.00 0.00 55.95 57.09 1xsk s SER 373 Cb 0.00 -1.81 -0.08 0.00 0.10 0.00 0.00 66.02 64.23 1xsk s SER 373 CO 0.00 -1.13 1.08 -0.76 0.98 0.00 0.00 173.24 173.40 1xsk s LEU 374 N -5.11 3.89 -0.05 2.42 1.43 -1.26 0.10 118.68 120.11 1xsk s LEU 374 Ca 0.55 2.05 -0.23 0.00 -1.03 0.00 0.00 54.13 55.48 1xsk s LEU 374 Cb -0.11 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 1xsk s LEU 374 CO 0.47 -0.85 0.67 0.86 0.23 0.00 0.00 176.35 177.74 1xsk s TRP 375 N -1.82 3.61 0.09 0.29 -0.00 -0.70 -4.58 118.94 115.84 1xsk s TRP 375 Ca 0.66 1.24 -0.15 0.00 -0.00 0.00 0.00 56.10 57.86 1xsk s TRP 375 Cb -0.21 -2.75 0.03 0.00 -0.00 0.00 0.00 33.47 30.54 1xsk s TRP 375 CO 0.25 0.16 0.35 -0.65 -0.00 0.00 0.00 176.95 177.06 1xsk s GLN 376 N 0.52 0.96 0.34 5.86 -0.21 -1.26 -4.47 119.66 121.39 1xsk s GLN 376 Ca 0.36 -0.65 -0.18 0.00 0.02 0.00 0.00 55.36 54.91 1xsk s GLN 376 Cb -0.18 0.42 0.05 0.00 1.00 0.00 0.00 33.01 34.30 1xsk s GLN 376 CO 0.18 -0.35 0.80 1.67 -2.12 0.00 0.00 175.29 175.47 1xsk s TRP 377 N -3.37 0.04 -1.29 0.91 1.48 -1.19 -4.97 118.94 110.54 1xsk s TRP 377 Ca 0.01 -0.63 0.16 0.00 -1.06 0.00 0.00 56.10 54.57 1xsk s TRP 377 Cb 0.01 0.79 0.49 0.00 -1.16 0.00 0.00 33.47 33.61 1xsk s TRP 377 CO -0.09 -1.42 1.41 -0.25 -4.06 0.00 0.00 176.95 172.55 1xsk n ASP 378 N -1.16 3.57 -4.76 -2.66 8.00 -1.26 -1.35 116.55 116.93 1xsk n ASP 378 Ca -0.07 -2.11 -0.40 0.00 0.71 0.00 0.00 54.79 52.93 1xsk n ASP 378 Cb 0.60 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.19 4.69 0.00 -1.24 1.02 -1.26 -4.19 119.74 117.57 1xsk s LYS 379 Ca 0.37 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.95 1xsk s LYS 379 Cb 0.21 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 1xsk s LYS 379 CO 0.23 0.33 0.00 1.87 -0.92 0.00 0.00 175.35 176.85 1xsk n TRP 380 N 1.15 0.00 -4.30 3.18 -0.00 -1.26 -4.73 117.44 111.48 1xsk n TRP 380 Ca -0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.30 1xsk n TRP 380 Cb 0.47 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.65 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 0.88 0.12 5.87 -1.52 -1.26 -5.02 119.66 118.73 1xsk s GLN 381 Ca 0.00 -0.78 -0.31 0.00 -1.95 0.00 0.00 55.36 52.32 1xsk s GLN 381 Cb 0.00 -0.88 -0.08 0.00 -0.22 0.00 0.00 33.01 31.83 1xsk s GLN 381 CO 0.00 0.21 1.47 -1.25 -0.25 0.00 0.00 175.29 175.48 1xsk s PRO 382 N -1.24 4.27 -1.50 2.91 0.04 -1.26 -2.69 135.00 135.53 1xsk s PRO 382 Ca 0.00 2.18 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 1xsk s PRO 382 Cb -0.08 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.19 1xsk s PRO 382 CO 0.01 -0.53 0.78 0.41 0.04 0.00 0.00 177.00 177.71 1xsk n GLY 383 N 3.64 -0.53 3.72 0.56 0.00 -1.10 -2.33 105.19 109.15 1xsk n GLY 383 Ca 0.13 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1xsk n GLY 383 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsk s LEU 384 N -6.88 4.37 0.37 0.99 0.20 -0.46 -3.27 118.68 114.01 1xsk s LEU 384 Ca 0.39 2.58 0.08 0.00 0.69 0.00 0.00 54.13 57.88 1xsk s LEU 384 Cb -0.17 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 41.93 1xsk s LEU 384 CO 0.49 -0.77 0.10 0.00 -0.29 0.00 0.00 176.35 175.87 1xsk s ALA 385 N 0.91 3.41 -0.04 5.97 0.00 -0.83 -3.20 121.76 127.97 1xsk s ALA 385 Ca 0.67 -2.02 0.06 0.00 0.00 0.00 0.00 51.96 50.66 1xsk s ALA 385 Cb -0.42 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1xsk s ALA 385 CO 0.33 -0.05 -0.20 0.42 0.00 0.00 0.00 175.76 176.27 1xsk s ILE 386 N -2.55 2.60 -0.03 0.00 1.01 -1.26 -1.77 121.20 119.20 1xsk s ILE 386 Ca 0.38 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 1xsk s ILE 386 Cb 0.02 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1xsk s ILE 386 CO 0.21 0.59 1.23 -0.31 0.00 0.00 0.00 174.94 176.66 1xsk s TYR 387 N -0.67 3.18 -0.88 3.97 1.51 -0.82 -0.31 117.35 123.32 1xsk s TYR 387 Ca 0.11 1.16 -0.23 0.00 -1.01 0.00 0.00 57.07 57.10 1xsk s TYR 387 Cb -0.10 -3.46 0.06 0.00 -0.11 0.00 0.00 41.96 38.35 1xsk s TYR 387 CO -0.00 -1.50 1.27 0.34 -1.11 0.00 0.00 175.55 174.55 1xsk s ASP 388 N 1.47 6.40 0.00 2.29 -1.08 -0.22 -4.76 116.67 120.77 1xsk s ASP 388 Ca 0.58 -1.27 0.20 0.00 -0.52 0.00 0.00 52.55 51.53 1xsk s ASP 388 Cb -0.27 -2.51 1.07 0.00 -1.46 0.00 0.00 42.92 39.76 1xsk s ASP 388 CO 0.24 -1.49 1.60 0.49 0.52 0.00 0.00 175.17 176.53 1xsk n PHE 389 N 8.35 0.00 0.97 -5.34 0.99 -1.26 -1.69 117.46 119.48 1xsk n PHE 389 Ca 0.19 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.76 1xsk n PHE 389 Cb 0.49 -0.17 0.29 0.00 -1.00 0.00 0.00 39.48 39.09 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 -1.17 0.02 -2.96 4.37 -2.24 -1.26 -4.72 114.28 106.32 1xsk n THR 390 Ca 0.12 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 1xsk n THR 390 Cb 0.12 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 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 -3.08 6.73 0.19 3.42 3.84 -0.68 -4.33 114.94 121.03 1xsk s ASN 391 Ca 0.11 0.87 -0.12 0.00 0.21 0.00 0.00 52.86 53.93 1xsk s ASN 391 Cb 0.17 -2.40 0.14 0.00 -0.55 0.00 0.00 41.25 38.61 1xsk s ASN 391 CO 0.68 -0.50 1.84 -0.65 -2.79 0.00 0.00 177.10 175.68 1xsk h PRO 392 N 7.83 0.75 -0.06 0.43 0.11 -1.86 -2.44 132.00 136.78 1xsk h PRO 392 Ca -0.24 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 1xsk h PRO 392 Cb 1.10 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1xsk h PRO 392 CO 0.85 0.50 -0.43 -0.44 -0.21 0.00 0.00 178.00 178.27 1xsk h ASP 393 N 0.78 0.14 0.85 -2.05 3.32 -1.94 -2.43 116.42 115.09 1xsk h ASP 393 Ca 0.24 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1xsk h ASP 393 Cb -0.01 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1xsk h ASP 393 CO -0.09 0.56 -0.35 0.00 -1.72 0.00 0.00 179.24 177.63 1xsk h ALA 394 N 1.45 1.00 -0.16 3.45 0.00 -1.78 -2.02 119.26 121.21 1xsk h ALA 394 Ca 0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1xsk h ALA 394 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1xsk h ALA 394 CO 0.06 0.44 -0.34 0.00 0.00 0.00 0.00 179.25 179.42 1xsk h LYS 396 N 0.14 0.02 -0.16 0.00 3.64 -1.28 0.93 116.57 119.86 1xsk h LYS 396 Ca 0.00 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1xsk h LYS 396 Cb 0.94 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 1xsk h LYS 396 CO 0.07 0.02 -0.19 2.35 -2.27 0.00 0.00 179.45 179.43 1xsk h TRP 397 N 0.01 -0.49 -0.75 1.91 7.01 -1.40 0.34 115.95 122.59 1xsk h TRP 397 Ca 0.00 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 1xsk h TRP 397 Cb 0.00 0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 1xsk h TRP 397 CO -0.08 -0.26 0.33 -0.92 -2.79 0.00 0.00 178.44 174.71 1xsk h TYR 398 N -0.23 1.11 -0.73 2.65 3.20 -1.36 -2.18 116.97 119.44 1xsk h TYR 398 Ca 0.11 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1xsk h TYR 398 Cb 0.38 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1xsk h TYR 398 CO -0.31 0.84 0.27 0.00 -1.64 0.00 0.00 178.16 177.31 1xsk h ALA 399 N 1.16 1.09 -0.22 1.82 0.00 0.08 -2.49 119.26 120.69 1xsk h ALA 399 Ca 0.25 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1xsk h ALA 399 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xsk h ALA 399 CO -0.03 0.64 -0.23 -0.44 0.00 0.00 0.00 179.25 179.19 1xsk h ASP 400 N 1.07 0.41 -0.57 0.00 3.32 0.07 -0.74 116.42 119.98 1xsk h ASP 400 Ca 0.24 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1xsk h ASP 400 Cb 0.24 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1xsk h ASP 400 CO -0.02 0.65 0.11 0.11 -1.72 0.00 0.00 179.24 178.38 1xsk h LYS 401 N 0.37 0.92 -0.30 3.56 1.79 -1.09 -1.51 116.57 120.31 1xsk h LYS 401 Ca 0.06 -0.24 -0.11 0.00 -2.18 0.00 0.00 60.65 58.18 1xsk h LYS 401 Cb 0.61 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1xsk h LYS 401 CO 0.04 0.87 -0.27 -0.07 -1.08 0.00 0.00 179.45 178.94 1xsk h LEU 402 N 0.82 0.62 -1.56 2.94 3.38 -1.07 -1.71 115.31 118.74 1xsk h LEU 402 Ca 0.17 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1xsk h LEU 402 Cb 0.38 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1xsk h LEU 402 CO 0.01 0.87 -0.22 0.11 0.09 0.00 0.00 178.44 179.29 1xsk h LYS 403 N 0.53 0.00 -0.19 1.13 1.57 -0.87 -1.72 116.57 117.01 1xsk h LYS 403 Ca 0.07 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1xsk h LYS 403 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1xsk h LYS 403 CO 0.06 0.22 -0.14 0.78 -0.57 0.00 0.00 179.45 179.80 1xsk h GLY 404 N 1.09 0.47 1.46 3.86 0.00 -0.40 -1.47 103.07 108.08 1xsk h GLY 404 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1xsk h GLY 404 CO 0.03 0.41 0.17 1.41 0.00 0.00 0.00 176.54 178.56 1xsk h LEU 405 N 0.11 0.63 -0.19 3.11 3.38 -0.85 -2.16 115.31 119.34 1xsk h LEU 405 Ca 0.04 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1xsk h LEU 405 Cb 0.65 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1xsk h LEU 405 CO 0.04 0.58 -0.36 0.58 0.09 0.00 0.00 178.44 179.37 1xsk h VAL 406 N 0.68 1.33 -0.03 1.22 2.07 -1.26 -2.05 116.25 118.21 1xsk h VAL 406 Ca 0.16 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.10 1xsk h VAL 406 Cb 0.16 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1xsk h VAL 406 CO -0.01 0.49 0.13 0.00 0.02 0.00 0.00 177.57 178.19 1xsk h ALA 407 N 0.60 1.26 -0.05 1.67 0.00 -0.88 0.42 119.26 122.28 1xsk h ALA 407 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xsk h ALA 407 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1xsk h ALA 407 CO 0.08 -0.14 0.00 -0.12 0.00 0.00 0.00 179.25 179.07 1xsk n MET 408 N -3.20 1.69 0.00 0.00 0.00 -0.85 -4.94 117.12 109.83 1xsk n MET 408 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 57.70 56.67 1xsk n MET 408 Cb 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 31.96 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 1.17 0.62 3.76 -5.12 0.00 0.15 -4.67 105.19 101.10 1xsk n GLY 409 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.06 2.42 -0.12 1.61 1.01 -0.82 -4.68 120.40 117.76 1xsk s VAL 410 Ca 0.00 0.38 0.19 0.00 0.00 0.00 0.00 61.98 62.55 1xsk s VAL 410 Cb 0.00 -3.24 -0.28 0.00 0.00 0.00 0.00 36.38 32.86 1xsk s VAL 410 CO 0.00 0.08 0.23 0.47 0.00 0.00 0.00 175.10 175.88 1xsk n ASP 411 N 1.46 0.19 -3.64 3.32 8.00 0.21 -4.41 116.55 121.68 1xsk n ASP 411 Ca 0.04 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.45 1xsk n ASP 411 Cb 0.40 1.39 -0.02 0.00 -0.02 0.00 0.00 41.12 42.87 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 -3.52 1.61 -0.42 0.00 0.40 -1.26 -2.90 117.98 111.88 1xsk s PHE 413 Ca 0.16 -0.53 -0.10 0.00 -0.60 0.00 0.00 56.93 55.86 1xsk s PHE 413 Cb -0.04 -0.81 0.08 0.00 0.51 0.00 0.00 43.02 42.76 1xsk s PHE 413 CO 0.09 0.25 0.27 0.21 0.70 0.00 0.00 175.22 176.74 1xsk s LYS 414 N -2.92 2.66 -1.04 0.44 2.20 -0.65 -2.27 119.74 118.15 1xsk s LYS 414 Ca 0.14 -1.43 -0.19 0.00 -0.36 0.00 0.00 55.97 54.13 1xsk s LYS 414 Cb -0.04 -3.82 0.10 0.00 -1.51 0.00 0.00 37.83 32.56 1xsk s LYS 414 CO 0.05 -0.95 1.36 0.95 -0.36 0.00 0.00 175.35 176.39 1xsk s THR 415 N 1.46 4.41 0.50 3.43 -4.23 0.17 -1.70 115.64 119.68 1xsk s THR 415 Ca 0.03 -1.48 -0.05 0.00 -1.18 0.00 0.00 61.69 59.01 1xsk s THR 415 Cb -0.23 -4.95 -0.03 0.00 1.34 0.00 0.00 72.50 68.64 1xsk s THR 415 CO 0.03 -1.74 0.80 -0.62 -0.54 0.00 0.00 174.62 172.56 1xsk s ASP 416 N 4.06 6.12 0.95 3.99 2.15 -0.71 -2.36 116.67 130.88 1xsk s ASP 416 Ca 0.41 0.87 0.00 0.00 0.43 0.00 0.00 52.55 54.26 1xsk s ASP 416 Cb -0.02 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 1xsk s ASP 416 CO -0.06 -0.68 0.00 0.49 -0.17 0.00 0.00 175.17 174.75 1xsk n PHE 417 N -2.32 -0.94 0.00 -5.34 3.01 -1.26 -4.33 117.46 106.28 1xsk n PHE 417 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1xsk n PHE 417 Cb 0.56 0.19 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 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 0.86 0.13 1.37 0.00 -1.26 -4.24 105.19 102.05 1xsk n GLY 418 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.44 0.68 -1.57 1.61 0.00 -1.26 -4.24 120.64 114.42 1xsk n GLU 419 Ca 0.00 0.30 -0.41 0.00 0.00 0.00 0.00 57.16 57.05 1xsk n GLU 419 Cb 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 31.44 29.77 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 -3.69 2.93 -3.22 3.44 1.74 -1.26 -4.55 116.66 112.05 1xsk n ARG 420 Ca -0.37 -2.43 -0.40 0.00 -0.77 0.00 0.00 57.85 53.89 1xsk n ARG 420 Cb 0.95 -3.13 -0.07 0.00 -1.02 0.00 0.00 32.46 29.19 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 3.10 5.08 0.53 0.55 -1.09 -1.26 -5.05 121.20 123.05 1xsk s ILE 421 Ca 0.53 0.97 -0.20 0.00 -2.23 0.00 0.00 60.65 59.72 1xsk s ILE 421 Cb 0.15 -3.85 -0.07 0.00 -1.58 0.00 0.00 42.46 37.11 1xsk s ILE 421 CO -0.07 0.13 1.11 -2.16 -1.23 0.00 0.00 174.94 172.72 1xsk s PRO 422 N 1.93 3.48 -0.11 2.79 0.04 -1.26 -4.80 135.00 137.07 1xsk s PRO 422 Ca 0.24 1.55 0.19 0.00 0.04 0.00 0.00 61.00 63.02 1xsk s PRO 422 Cb -0.15 -2.03 -0.27 0.00 0.04 0.00 0.00 34.50 32.08 1xsk s PRO 422 CO 0.09 -0.74 0.30 0.25 0.04 0.00 0.00 177.00 176.95 1xsk n THR 423 N -1.21 0.85 -1.16 1.26 -2.24 -1.26 -4.57 114.28 105.96 1xsk n THR 423 Ca 0.11 -0.71 -0.34 0.00 -2.27 0.00 0.00 64.05 60.84 1xsk n THR 423 Cb 0.51 -0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.58 6.10 -3.80 3.42 3.85 -1.26 -4.78 116.55 117.49 1xsk n ASP 424 Ca -0.20 -2.54 -0.13 0.00 -0.71 0.00 0.00 54.79 51.21 1xsk n ASP 424 Cb 0.91 -1.37 -0.07 0.00 -1.35 0.00 0.00 41.12 39.23 1xsk n ASP 424 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xsk s VAL 425 N 3.04 0.00 -0.36 2.12 0.11 -1.26 -4.59 120.40 119.46 1xsk s VAL 425 Ca 0.55 -1.79 0.02 0.00 -2.93 0.00 0.00 61.98 57.83 1xsk s VAL 425 Cb 0.14 -2.47 0.11 0.00 -1.53 0.00 0.00 36.38 32.64 1xsk s VAL 425 CO -0.04 0.00 0.13 -1.58 -3.33 0.00 0.00 175.10 170.28 1xsk s GLN 426 N -3.76 1.14 0.88 1.54 0.74 -0.74 -4.77 119.66 114.68 1xsk s GLN 426 Ca 0.34 -1.62 -0.11 0.00 0.05 0.00 0.00 55.36 54.02 1xsk s GLN 426 Cb 0.03 -2.49 0.12 0.00 1.10 0.00 0.00 33.01 31.77 1xsk s GLN 426 CO 0.16 -1.02 1.15 -1.58 -0.55 0.00 0.00 175.29 173.45 1xsk s TRP 427 N 0.99 1.76 0.26 1.67 0.52 -1.26 -4.39 118.94 118.49 1xsk s TRP 427 Ca 0.12 1.75 -0.04 0.00 0.02 0.00 0.00 56.10 57.95 1xsk s TRP 427 Cb -0.20 -3.34 0.31 0.00 -1.15 0.00 0.00 33.47 29.09 1xsk s TRP 427 CO -0.13 -2.70 1.84 0.35 0.02 0.00 0.00 176.95 176.33 1xsk h PHE 428 N -1.59 1.05 -0.37 -1.98 3.57 -1.94 -2.94 116.94 112.74 1xsk h PHE 428 Ca -0.44 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1xsk h PHE 428 Cb 1.27 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1xsk h PHE 428 CO 0.50 0.79 0.00 -0.40 -2.23 0.00 0.00 178.31 176.97 1xsk n ASP 429 N -4.31 2.15 0.00 0.41 5.75 -1.26 -4.92 116.55 114.37 1xsk n ASP 429 Ca 0.07 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1xsk n ASP 429 Cb 0.16 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.16 1.92 3.06 6.12 0.00 -1.11 -5.01 105.19 111.33 1xsk n GLY 430 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.45 -4.62 1.61 7.64 -1.26 -4.85 113.62 106.68 1xsk n SER 431 Ca 0.00 0.27 -0.43 0.00 1.01 0.00 0.00 58.87 59.72 1xsk n SER 431 Cb 0.00 -0.80 -0.02 0.00 -1.01 0.00 0.00 64.21 62.38 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 -1.05 6.75 0.41 6.43 -1.08 -0.42 -4.66 116.67 123.05 1xsk s ASP 432 Ca 0.44 0.78 0.19 0.00 -0.52 0.00 0.00 52.55 53.43 1xsk s ASP 432 Cb -0.23 -2.55 1.11 0.00 -1.46 0.00 0.00 42.92 39.79 1xsk s ASP 432 CO 0.79 -1.10 1.80 -0.65 0.52 0.00 0.00 175.17 176.54 1xsk h PRO 433 N 8.83 0.37 0.00 4.34 0.11 -1.88 0.66 132.00 144.43 1xsk h PRO 433 Ca -0.22 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 1xsk h PRO 433 Cb 1.06 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1xsk h PRO 433 CO 1.08 0.25 -0.18 1.96 -0.21 0.00 0.00 178.00 180.89 1xsk h GLN 434 N 0.38 0.00 0.01 1.05 1.08 -1.91 -2.67 115.11 113.05 1xsk h GLN 434 Ca 0.55 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.43 1xsk h GLN 434 Cb 1.43 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.80 1xsk h GLN 434 CO -0.24 0.18 -1.94 1.63 -0.95 0.00 0.00 178.83 177.51 1xsk n LYS 435 N -3.58 0.65 -0.04 1.46 5.02 0.13 -3.87 118.16 117.93 1xsk n LYS 435 Ca -0.01 0.20 -0.01 0.00 -2.02 0.00 0.00 58.31 56.47 1xsk n LYS 435 Cb 0.32 -1.70 0.25 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.63 -0.57 1.97 2.86 -1.12 -2.90 114.93 115.81 1xsk h MET 436 Ca -0.38 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.18 1xsk h MET 436 Cb 2.09 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 33.58 1xsk h MET 436 CO 0.06 0.63 -0.39 1.25 1.06 0.00 0.00 176.91 179.52 1xsk h HIS 437 N 0.60 -1.23 -0.07 -0.22 -0.00 -1.65 0.20 115.15 112.79 1xsk h HIS 437 Ca 0.13 0.08 -0.09 0.00 -0.00 0.00 0.00 60.37 60.48 1xsk h HIS 437 Cb 0.34 0.61 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1xsk h HIS 437 CO 0.01 -0.26 -0.32 -0.91 -0.00 0.00 0.00 177.93 176.45 1xsk h ASN 438 N -0.06 0.40 0.19 3.26 2.35 -1.79 -3.26 115.58 116.66 1xsk h ASN 438 Ca 0.09 -0.65 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 1xsk h ASN 438 Cb 0.30 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1xsk h ASN 438 CO -0.57 0.99 0.00 -0.74 -1.65 0.00 0.00 177.43 175.46 1xsk h HIS 439 N -0.16 0.00 -0.35 1.19 2.76 -1.26 -2.60 115.15 114.73 1xsk h HIS 439 Ca -0.02 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1xsk h HIS 439 Cb 0.98 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 1xsk h HIS 439 CO 0.13 0.00 0.18 -0.92 -1.30 0.00 0.00 177.93 176.02 1xsk h TYR 440 N 0.00 0.34 -0.99 5.26 3.20 -0.66 -1.54 116.97 122.58 1xsk h TYR 440 Ca 0.00 0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.10 1xsk h TYR 440 Cb 0.09 -0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.17 1xsk h TYR 440 CO 0.00 0.19 0.62 0.00 -1.64 0.00 0.00 178.16 177.33 1xsk h ALA 441 N 1.17 1.95 -0.14 1.82 0.00 -1.64 -1.08 119.26 121.34 1xsk h ALA 441 Ca 0.14 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1xsk h ALA 441 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xsk h ALA 441 CO -0.09 -0.32 -0.48 -0.92 0.00 0.00 0.00 179.25 177.44 1xsk h TYR 442 N 0.58 0.76 -0.42 0.00 3.20 -1.46 -2.64 116.97 116.99 1xsk h TYR 442 Ca 0.56 -0.31 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 1xsk h TYR 442 Cb 1.14 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 1xsk h TYR 442 CO -0.00 1.08 -0.08 0.82 -1.64 0.00 0.00 178.16 178.34 1xsk h ILE 443 N 0.21 1.25 0.63 1.81 1.08 -0.65 -1.18 117.51 120.66 1xsk h ILE 443 Ca -0.02 -1.09 -0.03 0.00 -0.39 0.00 0.00 64.86 63.32 1xsk h ILE 443 Cb 1.11 1.02 0.01 0.00 -3.07 0.00 0.00 36.82 35.89 1xsk h ILE 443 CO 0.10 0.37 -0.30 0.22 -0.69 0.00 0.00 178.15 177.85 1xsk h TYR 444 N 0.66 -0.78 -0.48 1.37 -0.00 -1.29 -1.96 116.97 114.49 1xsk h TYR 444 Ca 0.12 -0.02 0.01 0.00 -0.00 0.00 0.00 58.73 58.85 1xsk h TYR 444 Cb 0.53 0.26 -0.02 0.00 -0.00 0.00 0.00 36.73 37.50 1xsk h TYR 444 CO 0.03 -0.49 0.32 -0.91 -0.00 0.00 0.00 178.16 177.10 1xsk h ASN 445 N -0.98 0.51 -0.63 -2.11 2.35 -1.51 -1.99 115.58 111.23 1xsk h ASN 445 Ca -0.09 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1xsk h ASN 445 Cb 0.65 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1xsk h ASN 445 CO 0.14 0.37 0.11 -0.08 -1.65 0.00 0.00 177.43 176.32 1xsk h GLU 446 N 0.60 1.03 -0.26 0.81 4.81 -1.22 -0.75 114.58 119.61 1xsk h GLU 446 Ca 0.18 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1xsk h GLU 446 Cb -0.01 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1xsk h GLU 446 CO -0.04 0.95 0.12 1.25 -0.73 0.00 0.00 179.01 180.56 1xsk h LEU 447 N 0.94 0.35 -0.26 1.64 6.46 -0.62 -1.69 115.31 122.13 1xsk h LEU 447 Ca 0.19 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1xsk h LEU 447 Cb 0.41 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1xsk h LEU 447 CO 0.01 0.38 0.10 0.58 -0.62 0.00 0.00 178.44 178.90 1xsk h VAL 448 N 0.28 1.18 -0.96 1.05 2.07 -1.28 -2.66 116.25 115.93 1xsk h VAL 448 Ca 0.09 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.18 1xsk h VAL 448 Cb 0.13 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1xsk h VAL 448 CO -0.01 0.18 0.61 -0.25 0.02 0.00 0.00 177.57 178.12 1xsk h TRP 449 N 0.27 1.07 0.00 1.57 2.91 -1.05 -0.40 115.95 120.33 1xsk h TRP 449 Ca 0.09 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.08 1xsk h TRP 449 Cb 0.19 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 28.48 1xsk h TRP 449 CO -0.01 0.47 -0.25 -0.91 -1.03 0.00 0.00 178.44 176.71 1xsk h ASN 450 N 0.97 0.00 -0.06 2.65 2.35 -1.03 0.10 115.58 120.56 1xsk h ASN 450 Ca 0.46 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.18 1xsk h ASN 450 Cb 0.42 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1xsk h ASN 450 CO -0.22 0.25 -0.06 0.58 -1.65 0.00 0.00 177.43 176.33 1xsk h VAL 451 N 0.00 1.38 0.11 2.81 2.07 -0.77 0.11 116.25 121.96 1xsk h VAL 451 Ca -0.00 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1xsk h VAL 451 Cb 0.81 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 1xsk h VAL 451 CO 0.03 0.34 -0.28 -0.07 0.02 0.00 0.00 177.57 177.61 1xsk h LEU 452 N -0.29 -0.80 -1.52 2.57 4.07 -1.06 -0.31 115.31 117.96 1xsk h LEU 452 Ca 0.01 0.09 0.08 0.00 0.08 0.00 0.00 57.88 58.15 1xsk h LEU 452 Cb 0.58 0.31 -0.04 0.00 1.08 0.00 0.00 40.66 42.58 1xsk h LEU 452 CO 0.02 -0.37 0.43 0.50 -1.08 0.00 0.00 178.44 177.94 1xsk h LYS 453 N -0.49 0.54 -0.00 1.13 3.64 -0.79 -0.18 116.57 120.41 1xsk h LYS 453 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xsk h LYS 453 Cb 0.52 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1xsk h LYS 453 CO -0.17 0.36 -0.19 -0.25 -2.27 0.00 0.00 179.45 176.93 1xsk n ASP 454 N -4.48 0.43 0.00 4.20 8.00 0.02 -3.52 116.55 121.20 1xsk n ASP 454 Ca 0.10 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1xsk n ASP 454 Cb 0.31 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.17 0.00 0.18 -3.53 -2.24 -0.20 -4.83 114.28 102.49 1xsk n THR 455 Ca 0.11 0.09 0.05 0.00 -2.27 0.00 0.00 64.05 62.03 1xsk n THR 455 Cb 0.31 -1.03 0.27 0.00 -2.10 0.00 0.00 70.33 67.78 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 0.84 0.00 2.28 -1.51 -1.33 -3.50 116.25 113.04 1xsk h VAL 456 Ca 0.00 -1.67 0.00 0.00 -1.23 0.00 0.00 66.70 63.80 1xsk h VAL 456 Cb 0.00 2.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1xsk h VAL 456 CO 0.00 0.39 0.00 0.61 -1.23 0.00 0.00 177.57 177.34 1xsk n GLY 457 N 0.48 2.88 0.31 5.19 0.00 -0.91 -4.54 105.19 108.60 1xsk n GLY 457 Ca 0.00 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.49 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 0.51 0.00 1.61 4.81 -1.82 0.68 114.58 120.38 1xsk h GLU 458 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1xsk h GLU 458 Cb 0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1xsk h GLU 458 CO 0.00 0.34 -0.15 0.93 -0.73 0.00 0.00 179.01 179.39 1xsk h GLU 459 N 0.52 0.00 0.00 1.92 3.07 -1.91 -2.62 114.58 115.57 1xsk h GLU 459 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1xsk h GLU 459 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1xsk h GLU 459 CO -0.44 0.15 -0.48 0.39 -1.40 0.00 0.00 179.01 177.23 1xsk n GLU 460 N -4.20 0.00 -2.27 2.33 -0.58 0.18 -3.72 120.64 112.39 1xsk n GLU 460 Ca -0.02 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.31 1xsk n GLU 460 Cb 0.23 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 1xsk n GLU 460 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsk s ALA 461 N -3.00 3.47 -0.07 0.62 0.00 -0.90 -4.80 121.76 117.08 1xsk s ALA 461 Ca 0.11 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 1xsk s ALA 461 Cb 0.18 -3.43 0.11 0.00 0.00 0.00 0.00 23.12 19.97 1xsk s ALA 461 CO 0.69 -0.45 0.91 0.54 0.00 0.00 0.00 175.76 177.45 1xsk s VAL 462 N -0.70 0.00 0.30 0.00 0.11 -1.26 -4.45 120.40 114.40 1xsk s VAL 462 Ca 0.50 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1xsk s VAL 462 Cb -0.36 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 1xsk s VAL 462 CO 0.44 0.00 0.34 -0.76 -3.33 0.00 0.00 175.10 171.79 1xsk s LEU 463 N -1.85 1.21 -0.35 2.54 1.43 -1.09 -4.02 118.68 116.56 1xsk s LEU 463 Ca 0.01 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 1xsk s LEU 463 Cb -0.01 0.98 0.11 0.00 0.03 0.00 0.00 46.19 47.31 1xsk s LEU 463 CO -0.03 -1.11 0.15 0.12 0.23 0.00 0.00 176.35 175.70 1xsk s PHE 464 N -3.50 1.65 -0.13 0.29 5.36 -0.96 -4.28 117.98 116.41 1xsk s PHE 464 Ca 0.35 -1.89 -0.04 0.00 -0.96 0.00 0.00 56.93 54.39 1xsk s PHE 464 Cb 0.02 -1.66 -0.03 0.00 -0.34 0.00 0.00 43.02 41.00 1xsk s PHE 464 CO 0.20 -0.85 -0.00 0.00 -1.46 0.00 0.00 175.22 173.11 1xsk s ALA 465 N 1.23 3.19 -0.06 11.12 0.00 -0.68 -0.65 121.76 135.91 1xsk s ALA 465 Ca 0.13 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1xsk s ALA 465 Cb -0.20 -1.60 -0.25 0.00 0.00 0.00 0.00 23.12 21.08 1xsk s ALA 465 CO -0.16 0.35 0.60 -0.09 0.00 0.00 0.00 175.76 176.47 1xsk h ARG 466 N 6.09 0.13 -6.13 0.00 2.43 -1.73 -2.32 114.38 112.85 1xsk h ARG 466 Ca -0.40 -0.22 -0.57 0.00 -0.81 0.00 0.00 59.98 57.98 1xsk h ARG 466 Cb 1.19 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.71 1xsk h ARG 466 CO 0.61 0.84 -0.64 -1.54 -1.51 0.00 0.00 179.97 177.73 1xsk s SER 467 N -6.56 4.28 0.21 -3.80 1.04 -1.26 -4.48 113.70 103.13 1xsk s SER 467 Ca -0.11 -0.84 -0.23 0.00 0.48 0.00 0.00 55.95 55.25 1xsk s SER 467 Cb 0.07 -0.64 0.04 0.00 0.10 0.00 0.00 66.02 65.60 1xsk s SER 467 CO 0.81 -0.11 0.84 0.00 0.98 0.00 0.00 173.24 175.76 1xsk s ALA 468 N -2.43 -1.44 0.18 5.32 0.00 -1.19 -4.92 121.76 117.28 1xsk s ALA 468 Ca 0.33 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.08 1xsk s ALA 468 Cb -0.04 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.84 1xsk s ALA 468 CO 0.19 -1.04 0.40 0.45 0.00 0.00 0.00 175.76 175.76 1xsk s SER 469 N -2.93 -0.09 -0.13 0.00 0.15 -1.26 -3.73 113.70 105.71 1xsk s SER 469 Ca 0.11 -0.71 -0.41 0.00 0.70 0.00 0.00 55.95 55.64 1xsk s SER 469 Cb -0.04 0.51 -0.19 0.00 -1.71 0.00 0.00 66.02 64.59 1xsk s SER 469 CO 0.04 -0.98 1.26 0.52 1.20 0.00 0.00 173.24 175.29 1xsk n VAL 470 N -0.28 0.01 0.00 4.45 0.31 -1.26 -0.21 118.33 121.36 1xsk n VAL 470 Ca -0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1xsk n VAL 470 Cb 0.63 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 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 2.36 2.84 0.12 2.92 0.00 -1.26 -4.63 105.19 107.54 1xsk n GLY 471 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.61 1.59 0.26 4.61 0.00 0.71 -2.74 120.51 123.32 1xsk n ALA 472 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.55 1xsk n ALA 472 Cb 0.00 -1.36 0.14 0.00 0.00 0.00 0.00 19.45 18.22 1xsk n ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsk n GLN 473 N -2.17 0.07 0.00 0.00 0.00 -1.26 -1.54 117.38 112.48 1xsk n GLN 473 Ca 0.02 0.25 0.14 0.00 0.00 0.00 0.00 57.00 57.41 1xsk n GLN 473 Cb 0.20 -1.50 0.67 0.00 0.00 0.00 0.00 30.24 29.61 1xsk n GLN 473 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1xsk n LYS 474 N -1.31 0.70 -3.22 2.61 5.02 -1.11 -3.76 118.16 117.09 1xsk n LYS 474 Ca 0.03 -0.19 -0.26 0.00 -2.02 0.00 0.00 58.31 55.86 1xsk n LYS 474 Cb 0.05 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.50 1xsk n LYS 474 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xsk n PHE 475 N -0.98 3.15 -1.14 2.13 3.72 -0.59 -3.97 117.46 119.77 1xsk n PHE 475 Ca 0.15 -4.02 -0.38 0.00 -0.05 0.00 0.00 57.45 53.15 1xsk n PHE 475 Cb 0.26 -0.51 -0.01 0.00 -0.94 0.00 0.00 39.48 38.28 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 0.50 0.00 -0.98 -1.08 -0.04 -1.26 -4.72 135.00 127.42 1xsk n PRO 476 Ca 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1xsk n PRO 476 Cb 0.43 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 1xsk n PRO 476 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1xsk n VAL 477 N -0.46 -1.96 -5.02 0.52 0.31 -1.26 -2.65 118.33 107.81 1xsk n VAL 477 Ca 0.12 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.15 1xsk n VAL 477 Cb 0.28 -2.38 -0.15 0.00 -0.91 0.00 0.00 33.84 30.68 1xsk n VAL 477 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1xsk s HIS 478 N 0.00 2.31 0.04 3.52 3.76 -1.20 -1.68 115.29 122.03 1xsk s HIS 478 Ca 0.00 -0.42 0.08 0.00 -0.15 0.00 0.00 55.06 54.57 1xsk s HIS 478 Cb 0.00 -1.41 -0.03 0.00 1.11 0.00 0.00 32.58 32.25 1xsk s HIS 478 CO 0.00 0.08 -0.23 1.67 -0.85 0.00 0.00 174.74 175.41 1xsk s TRP 479 N -0.75 1.98 -1.51 1.40 -2.14 -0.87 -1.11 118.94 115.94 1xsk s TRP 479 Ca 0.11 -0.39 0.00 0.00 2.66 0.00 0.00 56.10 58.49 1xsk s TRP 479 Cb -0.10 -1.19 0.00 0.00 -3.10 0.00 0.00 33.47 29.08 1xsk s TRP 479 CO 0.01 0.09 0.00 0.41 -2.66 0.00 0.00 176.95 174.80 1xsk n GLY 480 N 1.88 0.00 7.00 3.67 0.00 -0.31 -4.65 105.19 112.79 1xsk n GLY 480 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.18 0.02 3.56 -0.02 0.00 -1.26 -4.62 105.19 102.69 1xsk n GLY 481 Ca 0.00 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 6.84 0.47 1.61 1.01 -1.26 -4.69 116.67 116.65 1xsk s ASP 482 Ca 0.00 -2.43 -0.00 0.00 0.71 0.00 0.00 52.55 50.83 1xsk s ASP 482 Cb 0.00 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 1xsk s ASP 482 CO 0.00 -1.13 0.70 0.00 0.21 0.00 0.00 175.17 174.94 1xsk s TYR 484 N -2.61 3.48 -1.50 0.00 2.02 -1.26 -0.88 117.35 116.61 1xsk s TYR 484 Ca 0.49 0.25 -0.09 0.00 -0.37 0.00 0.00 57.07 57.35 1xsk s TYR 484 Cb -0.10 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.68 1xsk s TYR 484 CO 0.39 0.40 2.64 0.00 -1.57 0.00 0.00 175.55 177.40 1xsk n ALA 485 N -0.80 6.97 -2.77 3.71 0.00 -0.60 -4.51 120.51 122.51 1xsk n ALA 485 Ca -0.06 -3.79 -0.10 0.00 0.00 0.00 0.00 53.44 49.50 1xsk n ALA 485 Cb 0.54 -3.19 -0.07 0.00 0.00 0.00 0.00 19.45 16.73 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 1.66 0.02 0.24 0.00 2.20 -1.26 -4.37 114.94 113.43 1xsk s ASN 486 Ca 0.61 -0.95 -0.05 0.00 -0.94 0.00 0.00 52.86 51.52 1xsk s ASN 486 Cb 0.17 0.47 0.26 0.00 -2.00 0.00 0.00 41.25 40.14 1xsk s ASN 486 CO -0.07 -0.95 1.79 1.88 -2.94 0.00 0.00 177.10 176.82 1xsk h TYR 487 N 2.48 1.07 -0.80 1.54 0.05 -1.91 -1.63 116.97 117.77 1xsk h TYR 487 Ca -0.31 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.39 1xsk h TYR 487 Cb 1.24 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.62 1xsk h TYR 487 CO 0.39 0.84 0.53 0.93 -1.05 0.00 0.00 178.16 179.80 1xsk h GLU 488 N 1.01 1.06 0.00 4.88 3.07 -1.95 -1.11 114.58 121.55 1xsk h GLU 488 Ca 0.23 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.97 1xsk h GLU 488 Cb 0.26 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1xsk h GLU 488 CO -0.01 0.71 -0.25 1.03 -1.40 0.00 0.00 179.01 179.09 1xsk h SER 489 N 1.09 0.00 -0.20 1.42 0.87 -1.75 -1.71 113.55 113.27 1xsk h SER 489 Ca 0.29 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.74 1xsk h SER 489 Cb -0.12 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1xsk h SER 489 CO -0.06 0.25 -0.30 -0.03 -0.53 0.00 0.00 176.83 176.16 1xsk h MET 490 N 0.00 0.56 0.35 2.24 -1.53 -0.45 -1.91 114.93 114.19 1xsk h MET 490 Ca -0.00 -0.33 -0.02 0.00 -3.44 0.00 0.00 59.70 55.91 1xsk h MET 490 Cb 0.90 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.98 1xsk h MET 490 CO 0.03 0.93 -0.17 0.00 0.14 0.00 0.00 176.91 177.85 1xsk h ALA 491 N 0.62 -0.48 -0.65 0.39 0.00 -1.06 -2.03 119.26 116.05 1xsk h ALA 491 Ca 0.02 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1xsk h ALA 491 Cb 0.88 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1xsk h ALA 491 CO 0.07 -0.73 0.43 1.05 0.00 0.00 0.00 179.25 180.08 1xsk h GLU 492 N -0.56 0.38 -0.14 0.00 4.11 -1.34 0.48 114.58 117.51 1xsk h GLU 492 Ca -0.05 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.24 1xsk h GLU 492 Cb 0.42 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1xsk h GLU 492 CO 0.08 0.25 -0.42 0.77 0.07 0.00 0.00 179.01 179.76 1xsk h SER 493 N 0.40 0.35 -0.47 3.06 0.02 -1.06 -2.33 113.55 113.52 1xsk h SER 493 Ca 0.30 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 1xsk h SER 493 Cb 0.66 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1xsk h SER 493 CO -0.09 0.74 -0.10 0.25 -1.14 0.00 0.00 176.83 176.49 1xsk h LEU 494 N 0.28 0.90 -0.97 5.07 5.85 0.63 -1.62 115.31 125.45 1xsk h LEU 494 Ca 0.02 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1xsk h LEU 494 Cb 0.86 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1xsk h LEU 494 CO 0.07 1.04 0.64 0.03 -0.34 0.00 0.00 178.44 179.88 1xsk h ARG 495 N 0.74 1.22 -0.36 1.25 3.08 -1.01 0.71 114.38 120.01 1xsk h ARG 495 Ca 0.12 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1xsk h ARG 495 Cb 0.64 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1xsk h ARG 495 CO 0.04 0.81 0.18 0.78 -1.07 0.00 0.00 179.97 180.71 1xsk h GLY 496 N 1.26 0.55 0.99 0.04 0.00 -1.05 0.38 103.07 105.24 1xsk h GLY 496 Ca 0.38 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1xsk h GLY 496 CO -0.11 0.25 0.18 -1.33 0.00 0.00 0.00 176.54 175.53 1xsk h GLY 497 N 0.45 0.91 0.95 4.60 0.00 -0.54 -0.53 103.07 108.92 1xsk h GLY 497 Ca 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1xsk h GLY 497 CO -0.02 0.50 0.13 1.41 0.00 0.00 0.00 176.54 178.56 1xsk h LEU 498 N 0.76 0.28 -0.64 3.11 3.38 -0.70 -2.89 115.31 118.61 1xsk h LEU 498 Ca 0.18 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1xsk h LEU 498 Cb 0.27 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1xsk h LEU 498 CO -0.01 0.28 0.37 0.28 0.09 0.00 0.00 178.44 179.45 1xsk h SER 499 N 0.26 0.57 -0.17 -0.43 0.02 -0.61 -2.30 113.55 110.89 1xsk h SER 499 Ca 0.08 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1xsk h SER 499 Cb 0.06 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1xsk h SER 499 CO -0.01 0.38 -0.03 -0.29 -1.14 0.00 0.00 176.83 175.73 1xsk h ILE 500 N 0.70 1.19 -0.15 3.27 2.10 -1.01 -1.02 117.51 122.59 1xsk h ILE 500 Ca 0.28 -0.78 -0.08 0.00 1.08 0.00 0.00 64.86 65.35 1xsk h ILE 500 Cb 0.12 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.85 1xsk h ILE 500 CO -0.15 0.26 -0.27 1.23 -1.08 0.00 0.00 178.15 178.14 1xsk h GLY 501 N 0.81 0.30 0.09 8.18 0.00 -1.22 0.00 103.07 111.23 1xsk h GLY 501 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1xsk h GLY 501 CO 0.01 0.22 0.00 1.04 0.00 0.00 0.00 176.54 177.81 1xsk n LEU 502 N -4.14 0.00 -0.29 3.11 4.77 -0.41 -3.21 117.00 116.83 1xsk n LEU 502 Ca -0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 1xsk n LEU 502 Cb 0.38 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1xsk n LEU 502 CO 0.40 0.00 0.42 -1.20 -1.33 0.00 0.00 177.39 175.68 1xsk n SER 503 N -0.54 1.31 0.00 -1.43 7.64 -0.04 -4.49 113.62 116.06 1xsk n SER 503 Ca 0.02 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.27 1xsk n SER 503 Cb 0.01 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 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 -0.79 0.58 3.67 0.23 0.00 -1.20 -4.94 105.19 102.75 1xsk n GLY 504 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.33 3.34 0.06 1.61 0.08 -1.03 -4.67 117.98 115.05 1xsk s PHE 505 Ca 0.00 0.39 -0.01 0.00 0.12 0.00 0.00 56.93 57.43 1xsk s PHE 505 Cb 0.00 -2.37 -0.27 0.00 -0.57 0.00 0.00 43.02 39.81 1xsk s PHE 505 CO 0.00 0.05 1.07 0.78 -0.10 0.00 0.00 175.22 177.02 1xsk h GLY 506 N 7.52 0.23 -5.27 4.36 0.00 -1.88 -3.35 103.07 104.69 1xsk h GLY 506 Ca -0.37 -0.59 -0.63 0.00 0.00 0.00 0.00 47.33 45.73 1xsk h GLY 506 CO 0.69 0.52 -0.86 -1.36 0.00 0.00 0.00 176.54 175.52 1xsk s PHE 507 N -2.65 2.17 0.06 5.60 0.08 -1.26 -2.35 117.98 119.63 1xsk s PHE 507 Ca -0.04 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.29 1xsk s PHE 507 Cb 0.08 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 41.04 1xsk s PHE 507 CO 0.86 -0.28 -0.10 -0.46 -0.10 0.00 0.00 175.22 175.15 1xsk s TRP 508 N 0.15 0.87 0.33 0.36 -0.00 -1.26 -3.27 118.94 116.12 1xsk s TRP 508 Ca -0.10 -0.51 0.05 0.00 -0.00 0.00 0.00 56.10 55.54 1xsk s TRP 508 Cb -0.15 -0.50 -0.03 0.00 -0.00 0.00 0.00 33.47 32.79 1xsk s TRP 508 CO 0.05 -0.04 0.23 0.45 -0.00 0.00 0.00 176.95 177.64 1xsk s SER 509 N -1.74 1.71 0.01 5.86 0.15 -0.26 -3.10 113.70 116.33 1xsk s SER 509 Ca -0.06 -1.69 -0.28 0.00 0.70 0.00 0.00 55.95 54.62 1xsk s SER 509 Cb -0.09 0.52 0.10 0.00 -1.71 0.00 0.00 66.02 64.83 1xsk s SER 509 CO 0.01 -1.00 0.84 -1.38 1.20 0.00 0.00 173.24 172.90 1xsk s HIS 510 N -3.49 -0.40 -0.61 3.44 -3.43 -1.26 -1.16 115.29 108.38 1xsk s HIS 510 Ca 0.37 0.31 -0.27 0.00 -0.80 0.00 0.00 55.06 54.67 1xsk s HIS 510 Cb 0.03 0.53 0.01 0.00 -1.43 0.00 0.00 32.58 31.72 1xsk s HIS 510 CO 0.23 -0.58 1.51 -0.51 -2.00 0.00 0.00 174.74 173.39 1xsk s ASP 511 N -2.35 5.90 -0.01 7.38 -0.00 -1.26 -4.03 116.67 122.30 1xsk s ASP 511 Ca 0.03 0.15 -0.32 0.00 -0.00 0.00 0.00 52.55 52.41 1xsk s ASP 511 Cb -0.01 -2.54 -0.10 0.00 -0.00 0.00 0.00 42.92 40.26 1xsk s ASP 511 CO -0.08 -1.92 1.92 -0.38 -0.00 0.00 0.00 175.17 174.71 1xsk n ILE 512 N 6.85 0.65 0.00 0.77 5.41 0.54 -0.67 119.36 132.91 1xsk n ILE 512 Ca 0.12 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1xsk n ILE 512 Cb 0.50 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 1xsk n ILE 512 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xsk n GLY 513 N 4.44 0.67 0.00 7.39 0.00 -1.26 -4.16 105.19 112.27 1xsk n GLY 513 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.52 0.12 -0.02 0.00 0.15 -4.39 105.19 100.58 1xsk n GLY 514 Ca 0.00 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 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 1.47 0.56 -3.52 1.61 -0.00 -0.06 -4.47 117.46 113.06 1xsk n PHE 515 Ca 0.00 0.24 -0.37 0.00 -0.00 0.00 0.00 57.45 57.31 1xsk n PHE 515 Cb 0.00 -1.06 -0.06 0.00 -0.00 0.00 0.00 39.48 38.36 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 -2.43 4.02 0.11 -4.13 0.41 -0.14 0.46 118.70 117.00 1xsk s GLU 516 Ca -0.33 0.29 0.00 0.00 -0.41 0.00 0.00 54.97 54.52 1xsk s GLU 516 Cb 0.10 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 1xsk s GLU 516 CO 0.55 0.51 0.00 0.09 -0.49 0.00 0.00 175.26 175.92 1xsk n ASN 517 N 2.55 -1.56 -4.47 -0.19 5.03 -1.26 -1.56 115.26 113.81 1xsk n ASN 517 Ca -0.13 0.26 -0.36 0.00 0.87 0.00 0.00 54.58 55.22 1xsk n ASN 517 Cb 0.52 -0.95 -0.12 0.00 -1.02 0.00 0.00 39.78 38.22 1xsk n ASN 517 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xsk s THR 518 N -2.98 4.29 0.32 3.41 2.01 -1.26 -4.57 115.64 116.87 1xsk s THR 518 Ca 0.00 -0.18 -0.26 0.00 0.31 0.00 0.00 61.69 61.55 1xsk s THR 518 Cb 0.00 -2.99 -0.10 0.00 0.01 0.00 0.00 72.50 69.42 1xsk s THR 518 CO 0.00 0.37 0.95 0.00 -0.69 0.00 0.00 174.62 175.25 1xsk s ALA 519 N 1.37 3.21 0.92 7.40 0.00 -1.26 -4.99 121.76 128.41 1xsk s ALA 519 Ca 0.05 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 1xsk s ALA 519 Cb -0.15 -3.19 0.14 0.00 0.00 0.00 0.00 23.12 19.92 1xsk s ALA 519 CO 0.03 0.15 1.11 -1.25 0.00 0.00 0.00 175.76 175.80 1xsk s PRO 520 N -2.01 1.05 0.33 0.00 0.04 -1.26 -4.70 135.00 128.44 1xsk s PRO 520 Ca 0.50 1.26 0.06 0.00 0.04 0.00 0.00 61.00 62.85 1xsk s PRO 520 Cb -0.19 -1.75 0.71 0.00 0.04 0.00 0.00 34.50 33.30 1xsk s PRO 520 CO 0.25 -2.51 1.87 0.00 0.04 0.00 0.00 177.00 176.64 1xsk h ALA 521 N -1.77 1.70 -0.33 8.56 0.00 -1.96 -2.51 119.26 122.96 1xsk h ALA 521 Ca -0.47 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1xsk h ALA 521 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1xsk h ALA 521 CO 0.47 0.08 0.17 1.12 0.00 0.00 0.00 179.25 181.09 1xsk h HIS 522 N 0.82 0.46 -0.17 0.00 2.07 -1.99 0.70 115.15 117.04 1xsk h HIS 522 Ca 0.45 -0.01 0.01 0.00 -2.85 0.00 0.00 60.37 57.96 1xsk h HIS 522 Cb 0.57 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 30.39 1xsk h HIS 522 CO -0.00 0.38 0.08 0.28 -3.07 0.00 0.00 177.93 175.60 1xsk h VAL 523 N 0.40 0.99 -0.63 6.12 2.07 -1.84 -0.51 116.25 122.86 1xsk h VAL 523 Ca 0.11 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1xsk h VAL 523 Cb 0.08 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1xsk h VAL 523 CO -0.02 0.03 0.42 0.22 0.02 0.00 0.00 177.57 178.24 1xsk h TYR 524 N 0.18 0.63 0.28 1.57 3.20 -1.14 -0.64 116.97 121.05 1xsk h TYR 524 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1xsk h TYR 524 Cb 0.02 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.08 1xsk h TYR 524 CO -0.09 0.33 -0.14 0.87 -1.64 0.00 0.00 178.16 177.50 1xsk h LYS 525 N 0.62 -0.37 -0.50 1.82 6.56 0.23 -1.64 116.57 123.30 1xsk h LYS 525 Ca 0.27 0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.94 1xsk h LYS 525 Cb 0.28 0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 31.98 1xsk h LYS 525 CO -0.08 -0.03 0.23 0.00 -2.06 0.00 0.00 179.45 177.51 1xsk h ARG 526 N -0.78 0.44 0.00 3.15 2.47 -0.92 -2.03 114.38 116.70 1xsk h ARG 526 Ca -0.04 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1xsk h ARG 526 Cb 0.51 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1xsk h ARG 526 CO 0.06 0.29 -0.07 2.35 0.56 0.00 0.00 179.97 183.16 1xsk h TRP 527 N 0.45 0.00 -0.51 3.04 2.91 -1.11 -2.29 115.95 118.44 1xsk h TRP 527 Ca 0.23 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.19 1xsk h TRP 527 Cb 0.17 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.80 1xsk h TRP 527 CO -0.12 0.07 0.08 0.00 -1.03 0.00 0.00 178.44 177.44 1xsk h ALA 529 N 0.98 -0.15 -0.10 0.00 0.00 -1.32 -0.53 119.26 118.14 1xsk h ALA 529 Ca 0.16 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1xsk h ALA 529 Cb 0.40 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1xsk h ALA 529 CO 0.01 -0.54 -0.27 0.35 0.00 0.00 0.00 179.25 178.79 1xsk h PHE 530 N -0.24 -0.74 -0.82 0.00 3.57 -1.38 -1.41 116.94 115.92 1xsk h PHE 530 Ca -0.02 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1xsk h PHE 530 Cb 0.19 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1xsk h PHE 530 CO -0.04 -0.36 0.54 0.78 -2.23 0.00 0.00 178.31 177.00 1xsk h GLY 531 N -0.36 1.16 2.00 2.40 0.00 -0.62 -2.23 103.07 105.42 1xsk h GLY 531 Ca 0.09 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1xsk h GLY 531 CO -0.30 0.37 -0.13 1.41 0.00 0.00 0.00 176.54 177.89 1xsk h LEU 532 N 1.05 0.00 -3.84 3.11 -0.00 -0.64 -3.12 115.31 111.86 1xsk h LEU 532 Ca 0.32 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.63 1xsk h LEU 532 Cb -0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 40.66 40.39 1xsk h LEU 532 CO -0.09 0.13 0.73 0.18 -0.00 0.00 0.00 178.44 179.39 1xsk n LEU 533 N -3.17 7.22 -4.34 1.67 4.32 -0.57 -4.77 117.00 117.35 1xsk n LEU 533 Ca 0.02 -3.92 -0.18 0.00 -0.02 0.00 0.00 56.01 51.91 1xsk n LEU 533 Cb 0.50 -0.97 -0.10 0.00 -1.62 0.00 0.00 43.42 41.23 1xsk n LEU 533 CO 0.34 1.34 -0.40 -0.44 -1.22 0.00 0.00 177.39 177.01 1xsk s SER 534 N -1.25 2.34 0.27 -1.43 0.01 -1.18 -4.98 113.70 107.47 1xsk s SER 534 Ca 0.55 -1.09 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 1xsk s SER 534 Cb 0.44 -0.09 0.47 0.00 0.21 0.00 0.00 66.02 67.04 1xsk s SER 534 CO 0.01 -0.30 1.84 0.77 0.41 0.00 0.00 173.24 175.97 1xsk h SER 535 N 2.52 0.89 -3.76 2.44 4.64 -1.88 -3.41 113.55 114.99 1xsk h SER 535 Ca -0.38 0.04 -0.31 0.00 -0.47 0.00 0.00 61.79 60.66 1xsk h SER 535 Cb 1.22 -0.14 -0.30 0.00 -0.31 0.00 0.00 62.40 62.87 1xsk h SER 535 CO 0.64 0.51 -0.75 -1.00 -0.87 0.00 0.00 176.83 175.36 1xsk s HIS 536 N -6.00 0.35 -0.05 4.77 3.76 -1.18 -4.75 115.29 112.19 1xsk s HIS 536 Ca -0.12 -0.06 0.05 0.00 -0.15 0.00 0.00 55.06 54.79 1xsk s HIS 536 Cb 0.21 -0.27 -0.01 0.00 1.11 0.00 0.00 32.58 33.62 1xsk s HIS 536 CO 0.80 -0.04 -0.21 -1.12 -0.85 0.00 0.00 174.74 173.32 1xsk s SER 537 N 0.19 2.60 -0.14 1.40 0.01 -1.26 -4.32 113.70 112.18 1xsk s SER 537 Ca -0.02 -0.43 -0.10 0.00 1.31 0.00 0.00 55.95 56.72 1xsk s SER 537 Cb -0.05 -0.67 0.04 0.00 0.21 0.00 0.00 66.02 65.56 1xsk s SER 537 CO -0.00 0.21 0.35 -0.60 0.41 0.00 0.00 173.24 173.61 1xsk s ARG 538 N -0.11 0.37 -0.37 12.44 3.52 -1.26 -1.39 118.95 132.15 1xsk s ARG 538 Ca -0.02 0.60 -0.16 0.00 -0.13 0.00 0.00 55.73 56.02 1xsk s ARG 538 Cb -0.12 0.07 -0.00 0.00 -1.56 0.00 0.00 34.95 33.33 1xsk s ARG 538 CO 0.02 -0.11 0.41 -0.51 -0.81 0.00 0.00 175.30 174.31 1xsk s LEU 539 N 0.80 4.55 -0.08 -0.88 1.43 -0.06 -0.34 118.68 124.10 1xsk s LEU 539 Ca -0.05 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 1xsk s LEU 539 Cb -0.06 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.80 1xsk s LEU 539 CO -0.06 -0.43 0.34 -2.28 0.23 0.00 0.00 176.35 174.15 1xsk s HIS 540 N 2.11 -0.30 0.19 0.29 2.46 -1.26 -1.48 115.29 117.30 1xsk s HIS 540 Ca 0.13 0.67 -0.04 0.00 0.47 0.00 0.00 55.06 56.28 1xsk s HIS 540 Cb -0.16 0.12 -0.03 0.00 -0.13 0.00 0.00 32.58 32.38 1xsk s HIS 540 CO 0.13 -0.28 0.20 0.20 -2.47 0.00 0.00 174.74 172.52 1xsk s GLY 541 N -0.46 1.03 -0.13 1.59 0.00 -1.26 -4.36 107.32 103.73 1xsk s GLY 541 Ca -0.06 -1.37 -0.09 0.00 0.00 0.00 0.00 44.72 43.20 1xsk s GLY 541 CO 0.02 -1.16 -0.17 -1.26 0.00 0.00 0.00 173.10 170.54 1xsk n SER 542 N -0.25 1.67 -0.00 1.64 2.88 0.17 -0.68 113.62 119.05 1xsk n SER 542 Ca -0.02 0.61 0.08 0.00 -1.33 0.00 0.00 58.87 58.21 1xsk n SER 542 Cb 0.64 -0.84 -0.11 0.00 -0.75 0.00 0.00 64.21 63.15 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 -4.44 1.01 -4.29 -1.46 5.02 -1.26 -0.35 118.16 112.39 1xsk n LYS 543 Ca -0.07 -0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 55.94 1xsk n LYS 543 Cb 0.25 -1.32 -0.11 0.00 -0.02 0.00 0.00 35.03 33.83 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 -3.32 2.32 0.77 4.39 1.04 -1.26 -4.57 113.70 113.07 1xsk s SER 544 Ca -0.02 -0.87 -0.12 0.00 0.48 0.00 0.00 55.95 55.43 1xsk s SER 544 Cb 0.11 -0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.18 1xsk s SER 544 CO 0.65 -0.12 1.11 -0.31 0.98 0.00 0.00 173.24 175.56 1xsk s TYR 545 N -2.28 2.38 -0.33 5.02 2.02 -1.26 -4.32 117.35 118.59 1xsk s TYR 545 Ca 0.14 1.60 0.15 0.00 -0.37 0.00 0.00 57.07 58.59 1xsk s TYR 545 Cb -0.04 -3.15 0.48 0.00 -0.40 0.00 0.00 41.96 38.84 1xsk s TYR 545 CO 0.05 -2.01 1.38 0.54 -1.57 0.00 0.00 175.55 173.94 1xsk n ARG 546 N -3.37 2.91 -2.20 -0.62 5.12 -1.26 -4.93 116.66 112.31 1xsk n ARG 546 Ca 0.10 -2.67 -0.39 0.00 -1.93 0.00 0.00 57.85 52.96 1xsk n ARG 546 Cb 0.52 -1.72 -0.02 0.00 -1.16 0.00 0.00 32.46 30.09 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 -2.44 2.92 0.15 1.55 -7.23 -1.26 -4.88 120.40 109.22 1xsk s VAL 547 Ca 0.38 0.84 -0.16 0.00 -1.81 0.00 0.00 61.98 61.23 1xsk s VAL 547 Cb 0.29 -3.50 0.01 0.00 0.56 0.00 0.00 36.38 33.74 1xsk s VAL 547 CO 0.10 0.14 1.78 -0.65 -0.31 0.00 0.00 175.10 176.16 1xsk h PRO 548 N 2.95 0.38 0.00 4.82 0.11 -1.94 -2.23 132.00 136.08 1xsk h PRO 548 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xsk h PRO 548 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xsk h PRO 548 CO 0.64 0.25 0.00 -2.67 -0.21 0.00 0.00 178.00 176.01 1xsk n TRP 549 N -4.92 0.17 0.25 0.65 2.14 -1.26 -1.05 117.44 113.42 1xsk n TRP 549 Ca 0.01 0.08 0.14 0.00 2.07 0.00 0.00 57.50 59.80 1xsk n TRP 549 Cb 0.08 -0.63 0.53 0.00 -0.81 0.00 0.00 31.31 30.48 1xsk n TRP 549 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xsk h ALA 550 N 2.10 1.00 0.00 -1.67 0.00 -1.78 -3.35 119.26 115.55 1xsk h ALA 550 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1xsk h ALA 550 Cb 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xsk h ALA 550 CO 0.00 0.08 -1.37 0.66 0.00 0.00 0.00 179.25 178.62 1xsk n TYR 551 N -3.17 0.01 -3.95 0.00 4.02 -0.21 -5.09 117.16 108.77 1xsk n TYR 551 Ca 0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1xsk n TYR 551 Cb 0.38 -0.63 0.02 0.00 -0.02 0.00 0.00 39.34 39.09 1xsk n TYR 551 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1xsk s ASP 552 N -6.30 0.02 0.06 7.72 1.47 -1.19 -4.87 116.67 113.57 1xsk s ASP 552 Ca -0.31 -0.48 -0.28 0.00 1.18 0.00 0.00 52.55 52.66 1xsk s ASP 552 Cb 0.07 0.35 -0.17 0.00 -0.34 0.00 0.00 42.92 42.82 1xsk s ASP 552 CO 0.44 -0.69 1.54 0.44 0.68 0.00 0.00 175.17 177.58 1xsk h ASP 553 N 2.00 -0.41 -1.00 2.11 3.32 -1.88 -3.15 116.42 117.40 1xsk h ASP 553 Ca -0.25 -0.05 0.12 0.00 0.02 0.00 0.00 57.03 56.87 1xsk h ASP 553 Cb 1.20 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.77 1xsk h ASP 553 CO 0.35 -0.20 0.63 -0.08 -1.72 0.00 0.00 179.24 178.21 1xsk h GLU 554 N -0.60 0.95 -0.95 3.56 4.81 -1.97 -1.90 114.58 118.48 1xsk h GLU 554 Ca -0.05 -0.06 0.21 0.00 -0.13 0.00 0.00 59.36 59.33 1xsk h GLU 554 Cb 0.44 -0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.52 1xsk h GLU 554 CO 0.08 0.63 0.62 0.77 -0.73 0.00 0.00 179.01 180.37 1xsk h SER 555 N 0.98 0.52 -0.15 1.04 0.02 -1.84 0.67 113.55 114.79 1xsk h SER 555 Ca 0.50 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.42 1xsk h SER 555 Cb 0.52 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1xsk h SER 555 CO -0.27 0.19 -0.19 0.00 -1.14 0.00 0.00 176.83 175.42 1xsk h ASP 557 N 0.51 0.86 0.07 0.00 3.32 0.20 -1.97 116.42 119.41 1xsk h ASP 557 Ca 0.08 -0.53 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1xsk h ASP 557 Cb 0.62 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1xsk h ASP 557 CO 0.04 1.23 -0.05 0.58 -1.72 0.00 0.00 179.24 179.33 1xsk h VAL 558 N 0.53 0.89 -0.84 -1.35 2.07 -0.67 -0.22 116.25 116.65 1xsk h VAL 558 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1xsk h VAL 558 Cb 1.07 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1xsk h VAL 558 CO 0.11 0.00 0.52 0.58 0.02 0.00 0.00 177.57 178.80 1xsk h VAL 559 N -0.12 1.23 -0.04 2.57 2.07 -1.23 -2.12 116.25 118.62 1xsk h VAL 559 Ca -0.00 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1xsk h VAL 559 Cb 0.11 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1xsk h VAL 559 CO -0.00 0.24 -0.01 -0.09 0.02 0.00 0.00 177.57 177.72 1xsk h ARG 560 N 1.16 0.07 -0.18 1.57 2.43 -1.06 -1.07 114.38 117.31 1xsk h ARG 560 Ca 0.31 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.48 1xsk h ARG 560 Cb -0.07 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1xsk h ARG 560 CO -0.06 0.46 -0.05 0.35 -1.51 0.00 0.00 179.97 179.16 1xsk h PHE 561 N -0.31 -0.11 -0.03 2.20 3.04 -0.85 -1.23 116.94 119.65 1xsk h PHE 561 Ca 0.01 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.80 1xsk h PHE 561 Cb 0.43 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1xsk h PHE 561 CO 0.07 -0.08 -0.77 0.74 -2.02 0.00 0.00 178.31 176.24 1xsk h PHE 562 N -0.01 0.33 -0.38 0.41 0.04 -1.45 -1.66 116.94 114.22 1xsk h PHE 562 Ca 0.09 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1xsk h PHE 562 Cb 0.14 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1xsk h PHE 562 CO -0.21 0.92 0.12 1.15 -0.60 0.00 0.00 178.31 179.69 1xsk h THR 563 N 0.15 1.21 -0.60 -1.55 2.02 -1.01 -1.34 112.91 111.79 1xsk h THR 563 Ca -0.03 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1xsk h THR 563 Cb 1.36 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1xsk h THR 563 CO 0.12 0.24 0.35 1.56 0.37 0.00 0.00 175.52 178.16 1xsk h GLN 564 N 0.46 0.82 0.47 6.66 4.20 -1.19 -2.01 115.11 124.53 1xsk h GLN 564 Ca 0.12 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1xsk h GLN 564 Cb 0.25 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1xsk h GLN 564 CO -0.00 0.61 -0.32 1.25 -0.67 0.00 0.00 178.83 179.70 1xsk h LEU 565 N 0.81 -0.81 -0.97 1.46 5.85 -1.03 -1.50 115.31 119.12 1xsk h LEU 565 Ca 0.21 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.10 1xsk h LEU 565 Cb 0.01 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 1xsk h LEU 565 CO -0.04 -0.49 0.60 0.50 -0.34 0.00 0.00 178.44 178.68 1xsk h LYS 566 N -0.76 0.94 -0.17 1.25 3.64 -1.20 0.21 116.57 120.48 1xsk h LYS 566 Ca -0.05 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 1xsk h LYS 566 Cb 0.64 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1xsk h LYS 566 CO 0.03 0.63 -0.08 0.00 -2.27 0.00 0.00 179.45 177.76 1xsk h ARG 568 N 0.25 0.00 -0.00 0.00 3.08 0.35 -3.20 114.38 114.86 1xsk h ARG 568 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1xsk h ARG 568 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1xsk h ARG 568 CO 0.01 0.48 -0.02 -1.33 -1.07 0.00 0.00 179.97 178.05 1xsk n MET 569 N -3.28 1.00 0.23 0.04 2.81 0.19 0.16 117.12 118.28 1xsk n MET 569 Ca 0.02 -0.21 0.12 0.00 -1.81 0.00 0.00 57.70 55.82 1xsk n MET 569 Cb 0.69 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 32.45 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 0.51 0.00 -0.46 0.03 2.86 -1.48 0.21 114.93 116.61 1xsk h MET 570 Ca 0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1xsk h MET 570 Cb 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1xsk h MET 570 CO 0.00 0.00 -0.08 -1.35 1.06 0.00 0.00 176.91 176.54 1xsk h PRO 571 N 0.00 0.81 0.20 -0.22 0.11 -1.75 -0.86 132.00 130.29 1xsk h PRO 571 Ca 0.04 -0.26 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 1xsk h PRO 571 Cb 0.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1xsk h PRO 571 CO -0.00 0.87 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.64 1xsk h TYR 572 N 0.74 -0.25 -0.38 0.65 3.20 -1.39 -3.27 116.97 116.27 1xsk h TYR 572 Ca 0.13 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.07 1xsk h TYR 572 Cb 0.57 0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.83 1xsk h TYR 572 CO 0.03 0.06 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.18 1xsk h LEU 573 N -0.99 -1.17 -1.96 2.82 4.07 -0.99 -1.81 115.31 115.27 1xsk h LEU 573 Ca -0.03 0.19 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1xsk h LEU 573 Cb 0.42 0.53 -0.00 0.00 1.08 0.00 0.00 40.66 42.69 1xsk h LEU 573 CO 0.05 -0.34 -0.11 0.22 -1.08 0.00 0.00 178.44 177.18 1xsk h TYR 574 N -0.29 0.00 -0.18 1.13 3.20 -1.32 -0.51 116.97 119.00 1xsk h TYR 574 Ca 0.16 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1xsk h TYR 574 Cb 0.56 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1xsk h TYR 574 CO -0.55 0.11 -0.18 -0.09 -1.64 0.00 0.00 178.16 175.81 1xsk h ARG 575 N 0.00 0.43 -0.24 1.82 9.65 -1.40 -1.94 114.38 122.71 1xsk h ARG 575 Ca -0.00 -0.23 -0.02 0.00 -1.10 0.00 0.00 59.98 58.63 1xsk h ARG 575 Cb 0.28 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1xsk h ARG 575 CO 0.01 0.80 0.05 0.93 2.80 0.00 0.00 179.97 184.56 1xsk h GLU 576 N 0.09 0.34 -0.42 0.20 4.39 -0.71 -2.22 114.58 116.24 1xsk h GLU 576 Ca 0.03 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1xsk h GLU 576 Cb 0.72 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1xsk h GLU 576 CO 0.04 0.32 0.02 0.00 -1.16 0.00 0.00 179.01 178.24 1xsk h ALA 577 N 1.73 0.57 0.00 3.43 0.00 -0.87 -1.54 119.26 122.58 1xsk h ALA 577 Ca 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xsk h ALA 577 Cb 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xsk h ALA 577 CO -0.00 0.33 -0.02 0.00 0.00 0.00 0.00 179.25 179.56 1xsk h ALA 578 N 0.91 1.56 -0.46 0.00 0.00 -0.76 -0.57 119.26 119.94 1xsk h ALA 578 Ca 0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1xsk h ALA 578 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xsk h ALA 578 CO 0.02 0.03 -0.24 -0.09 0.00 0.00 0.00 179.25 178.96 1xsk h ARG 579 N 0.00 0.97 -0.02 0.00 2.43 -0.90 -1.50 114.38 115.35 1xsk h ARG 579 Ca -0.00 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 58.68 1xsk h ARG 579 Cb 0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1xsk h ARG 579 CO 0.00 1.10 -0.23 0.00 -1.51 0.00 0.00 179.97 179.34 1xsk h ALA 580 N 0.84 1.58 0.00 2.80 0.00 -0.63 0.13 119.26 123.99 1xsk h ALA 580 Ca 0.10 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1xsk h ALA 580 Cb 0.82 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1xsk h ALA 580 CO 0.07 0.31 -0.89 -0.97 0.00 0.00 0.00 179.25 177.78 1xsk h ASN 581 N 0.04 0.00 0.15 0.00 -0.73 -1.10 -1.15 115.58 112.79 1xsk h ASN 581 Ca 0.01 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.82 1xsk h ASN 581 Cb 0.42 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.97 1xsk h ASN 581 CO 0.03 0.89 -2.09 0.00 -0.37 0.00 0.00 177.43 175.89 1xsk n ALA 582 N -2.34 1.16 0.03 1.57 0.00 -0.60 -4.57 120.51 115.75 1xsk n ALA 582 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1xsk n ALA 582 Cb 0.87 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1xsk n ALA 582 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsk n ARG 583 N -3.31 -0.71 -1.14 0.00 1.74 0.43 -4.99 116.66 108.68 1xsk n ARG 583 Ca -0.33 -0.59 -0.05 0.00 -0.77 0.00 0.00 57.85 56.11 1xsk n ARG 583 Cb 1.04 -1.01 -0.02 0.00 -1.02 0.00 0.00 32.46 31.45 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 0.02 0.68 3.67 -0.13 0.00 -0.43 -3.13 105.19 105.86 1xsk n GLY 584 Ca 0.00 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.91 4.47 0.39 2.61 2.01 -1.24 -4.78 115.64 117.19 1xsk s THR 585 Ca 0.00 1.77 -0.24 0.00 0.31 0.00 0.00 61.69 63.53 1xsk s THR 585 Cb 0.00 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1xsk s THR 585 CO 0.00 -0.11 1.05 -2.16 -0.69 0.00 0.00 174.62 172.71 1xsk s PRO 586 N 3.03 4.19 0.14 4.92 0.04 -1.26 -2.98 135.00 143.07 1xsk s PRO 586 Ca 0.51 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 1xsk s PRO 586 Cb -0.20 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1xsk s PRO 586 CO 0.13 -0.13 1.79 0.52 0.04 0.00 0.00 177.00 179.35 1xsk h MET 587 N 2.57 0.34 -5.53 4.56 2.86 -1.78 -3.38 114.93 114.58 1xsk h MET 587 Ca -0.48 -0.02 -0.62 0.00 -2.06 0.00 0.00 59.70 56.52 1xsk h MET 587 Cb 1.22 -0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.68 1xsk h MET 587 CO 0.63 0.23 0.18 1.41 1.06 0.00 0.00 176.91 180.41 1xsk s MET 588 N -6.17 3.87 -0.07 1.72 -2.45 -1.26 -0.72 119.30 114.22 1xsk s MET 588 Ca -0.13 0.30 0.05 0.00 -1.25 0.00 0.00 55.69 54.66 1xsk s MET 588 Cb 0.10 -3.74 -0.01 0.00 1.25 0.00 0.00 34.83 32.43 1xsk s MET 588 CO 0.70 -0.61 -0.24 1.03 1.05 0.00 0.00 175.02 176.96 1xsk s ARG 589 N 2.67 2.61 0.54 4.11 0.52 0.10 -4.79 118.95 124.71 1xsk s ARG 589 Ca 0.26 -0.86 -0.21 0.00 -0.52 0.00 0.00 55.73 54.40 1xsk s ARG 589 Cb -0.15 -2.13 -0.05 0.00 0.52 0.00 0.00 34.95 33.14 1xsk s ARG 589 CO 0.12 0.30 1.25 0.00 0.02 0.00 0.00 175.30 176.99 1xsk s ALA 590 N 0.03 2.77 0.22 2.13 0.00 -1.26 -0.46 121.76 125.18 1xsk s ALA 590 Ca -0.08 1.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 1xsk s ALA 590 Cb -0.15 -3.47 0.28 0.00 0.00 0.00 0.00 23.12 19.78 1xsk s ALA 590 CO 0.05 -1.09 1.81 0.52 0.00 0.00 0.00 175.76 177.05 1xsk h MET 591 N 1.43 0.71 -0.83 0.00 0.00 -1.81 -1.18 114.93 113.25 1xsk h MET 591 Ca -0.50 -0.04 0.13 0.00 0.00 0.00 0.00 59.70 59.28 1xsk h MET 591 Cb 1.28 -0.16 -0.06 0.00 0.00 0.00 0.00 31.60 32.66 1xsk h MET 591 CO 0.57 0.47 0.54 0.00 0.00 0.00 0.00 176.91 178.49 1xsk h MET 592 N 0.73 0.64 -0.18 1.72 -0.00 -1.82 0.37 114.93 116.39 1xsk h MET 592 Ca 0.33 -0.04 -0.11 0.00 -0.00 0.00 0.00 59.70 59.87 1xsk h MET 592 Cb 0.22 -0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 31.66 1xsk h MET 592 CO -0.20 0.42 -0.38 1.98 -0.00 0.00 0.00 176.91 178.74 1xsk h MET 593 N 0.66 0.39 0.09 -0.10 1.85 -1.56 -2.41 114.93 113.84 1xsk h MET 593 Ca 0.40 -0.18 -0.32 0.00 -0.61 0.00 0.00 59.70 59.00 1xsk h MET 593 Cb 0.64 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.64 1xsk h MET 593 CO -0.17 0.71 -1.72 1.49 -0.40 0.00 0.00 176.91 176.82 1xsk h GLU 594 N 0.33 0.18 -2.29 0.39 4.57 -0.87 -3.40 114.58 113.49 1xsk h GLU 594 Ca 0.03 -0.31 -0.63 0.00 -1.18 0.00 0.00 59.36 57.27 1xsk h GLU 594 Cb 0.82 0.12 -0.40 0.00 -0.16 0.00 0.00 28.75 29.12 1xsk h GLU 594 CO 0.07 0.97 -0.40 1.19 -1.18 0.00 0.00 179.01 179.66 1xsk n PHE 595 N -3.35 3.59 0.09 0.92 3.01 0.11 -4.93 117.46 116.90 1xsk n PHE 595 Ca -0.21 -3.90 0.20 0.00 1.01 0.00 0.00 57.45 54.55 1xsk n PHE 595 Cb 1.05 -0.64 0.75 0.00 -0.01 0.00 0.00 39.48 40.63 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 4.01 0.00 -0.37 -1.08 0.13 -1.64 -2.15 132.00 130.90 1xsk h PRO 596 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1xsk h PRO 596 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1xsk h PRO 596 CO 0.90 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.42 1xsk n ASP 597 N -3.72 3.15 -4.46 1.44 8.00 -1.26 -4.86 116.55 114.83 1xsk n ASP 597 Ca 0.07 -1.95 -0.43 0.00 0.71 0.00 0.00 54.79 53.19 1xsk n ASP 597 Cb 0.61 -0.24 -0.08 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.47 6.21 0.59 -2.24 -1.08 -0.81 -4.93 116.67 112.93 1xsk s ASP 598 Ca 0.38 -0.79 0.29 0.00 -0.52 0.00 0.00 52.55 51.91 1xsk s ASP 598 Cb 0.22 -2.25 1.57 0.00 -1.46 0.00 0.00 42.92 41.00 1xsk s ASP 598 CO 0.31 -0.70 2.01 1.55 0.52 0.00 0.00 175.17 178.86 1xsk h PRO 599 N 8.82 0.00 0.00 4.34 0.13 -1.89 -0.70 132.00 142.70 1xsk h PRO 599 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xsk h PRO 599 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1xsk h PRO 599 CO 0.86 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.63 1xsk n ALA 600 N -2.34 1.95 0.75 -0.56 0.00 -1.26 -3.50 120.51 115.54 1xsk n ALA 600 Ca 0.05 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.61 1xsk n ALA 600 Cb 0.48 -1.41 0.28 0.00 0.00 0.00 0.00 19.45 18.80 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 3.53 0.07 -0.72 0.00 3.32 -1.71 -3.20 116.42 117.70 1xsk h ASP 602 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1xsk h ASP 602 Cb 0.77 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1xsk h ASP 602 CO 0.00 0.20 0.00 -1.22 -1.72 0.00 0.00 179.24 176.50 1xsk n TYR 603 N -4.97 1.02 -2.08 4.55 4.01 -1.26 -4.88 117.16 113.54 1xsk n TYR 603 Ca -0.06 -0.50 -0.43 0.00 -0.16 0.00 0.00 57.90 56.75 1xsk n TYR 603 Cb 0.10 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 1xsk n TYR 603 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsk s LEU 604 N -1.07 3.58 0.00 7.72 1.43 -1.24 -4.82 118.68 124.28 1xsk s LEU 604 Ca 0.49 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 1xsk s LEU 604 Cb 0.26 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1xsk s LEU 604 CO 0.32 -1.58 0.25 -0.90 0.23 0.00 0.00 176.35 174.68 1xsk n ASP 605 N 9.67 0.50 -1.33 2.29 3.85 -1.26 -4.50 116.55 125.77 1xsk n ASP 605 Ca 0.21 -0.83 0.11 0.00 -0.71 0.00 0.00 54.79 53.57 1xsk n ASP 605 Cb 0.47 0.18 0.32 0.00 -1.35 0.00 0.00 41.12 40.73 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 -0.18 2.84 -3.97 0.11 1.74 -1.26 -4.55 116.66 111.40 1xsk n ARG 606 Ca 0.00 -2.65 -0.10 0.00 -0.77 0.00 0.00 57.85 54.33 1xsk n ARG 606 Cb 0.06 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 29.86 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 -1.09 1.34 0.38 5.56 -2.07 -1.26 -4.00 119.66 118.52 1xsk s GLN 607 Ca 0.48 -1.20 -0.14 0.00 -1.82 0.00 0.00 55.36 52.68 1xsk s GLN 607 Cb 0.25 0.42 0.06 0.00 -1.09 0.00 0.00 33.01 32.65 1xsk s GLN 607 CO 0.31 -0.53 0.76 2.48 -1.32 0.00 0.00 175.29 176.99 1xsk n TYR 608 N -0.30 -2.30 -4.94 9.60 0.18 -0.96 -4.59 117.16 113.85 1xsk n TYR 608 Ca -0.05 -1.84 -0.33 0.00 1.88 0.00 0.00 57.90 57.56 1xsk n TYR 608 Cb 0.63 0.89 -0.15 0.00 -0.38 0.00 0.00 39.34 40.33 1xsk n TYR 608 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1xsk s MET 609 N -2.12 3.20 -0.51 -3.48 -1.94 0.39 -1.62 119.30 113.23 1xsk s MET 609 Ca 0.16 -0.76 -0.14 0.00 -1.71 0.00 0.00 55.69 53.25 1xsk s MET 609 Cb -0.05 -2.50 0.12 0.00 2.01 0.00 0.00 34.83 34.42 1xsk s MET 609 CO 0.12 0.23 0.44 -1.17 -0.01 0.00 0.00 175.02 174.63 1xsk s LEU 610 N 0.27 5.97 0.00 -0.03 2.96 0.12 0.00 118.68 127.97 1xsk s LEU 610 Ca -0.12 -1.80 0.00 0.00 -0.22 0.00 0.00 54.13 51.99 1xsk s LEU 610 Cb -0.16 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.39 1xsk s LEU 610 CO 0.06 -0.79 0.00 0.61 -1.32 0.00 0.00 176.35 174.92 1xsk n GLY 611 N 5.13 -1.90 0.36 7.98 0.00 0.10 -3.44 105.19 113.42 1xsk n GLY 611 Ca -0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.22 1.10 -0.00 1.61 3.32 -1.92 -3.37 116.42 116.95 1xsk h ASP 612 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1xsk h ASP 612 Cb 0.22 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1xsk h ASP 612 CO 0.00 0.87 -0.82 0.59 -1.72 0.00 0.00 179.24 178.16 1xsk n ASN 613 N -4.34 0.82 -4.18 6.45 3.02 -1.26 -4.99 115.26 110.78 1xsk n ASN 613 Ca 0.10 -0.91 -0.30 0.00 -0.03 0.00 0.00 54.58 53.44 1xsk n ASN 613 Cb 0.08 1.00 -0.17 0.00 -0.61 0.00 0.00 39.78 40.08 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 -2.63 1.81 -0.21 2.41 0.11 -1.22 -1.94 120.40 118.72 1xsk s VAL 614 Ca 0.07 -0.89 -0.13 0.00 -2.93 0.00 0.00 61.98 58.10 1xsk s VAL 614 Cb 0.13 -1.56 -0.05 0.00 -1.53 0.00 0.00 36.38 33.37 1xsk s VAL 614 CO 0.71 0.51 0.26 -0.32 -3.33 0.00 0.00 175.10 172.93 1xsk s MET 615 N 0.25 4.15 -0.12 1.54 1.75 0.19 0.14 119.30 127.19 1xsk s MET 615 Ca -0.13 -0.04 0.01 0.00 -1.25 0.00 0.00 55.69 54.28 1xsk s MET 615 Cb -0.16 -3.51 0.02 0.00 2.84 0.00 0.00 34.83 34.02 1xsk s MET 615 CO 0.06 0.07 -0.13 0.54 -0.65 0.00 0.00 175.02 174.91 1xsk s VAL 616 N 1.00 1.35 -0.39 10.11 0.11 -0.64 -0.61 120.40 131.34 1xsk s VAL 616 Ca 0.13 -0.53 -0.02 0.00 -2.93 0.00 0.00 61.98 58.63 1xsk s VAL 616 Cb -0.14 -1.28 0.10 0.00 -1.53 0.00 0.00 36.38 33.54 1xsk s VAL 616 CO 0.05 0.42 0.17 0.00 -3.33 0.00 0.00 175.10 172.41 1xsk s ALA 617 N 1.28 3.10 0.64 1.54 0.00 -0.66 -2.26 121.76 125.41 1xsk s ALA 617 Ca -0.01 -2.43 -0.18 0.00 0.00 0.00 0.00 51.96 49.34 1xsk s ALA 617 Cb -0.14 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1xsk s ALA 617 CO -0.05 -1.73 1.13 -2.30 0.00 0.00 0.00 175.76 172.81 1xsk n PRO 618 N 4.58 0.96 -3.39 0.00 -0.02 -1.26 -3.82 135.00 132.05 1xsk n PRO 618 Ca -0.03 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.45 1xsk n PRO 618 Cb 0.42 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1xsk n PRO 618 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xsk s VAL 619 N -1.47 5.22 -0.25 -1.45 1.01 -1.26 -4.96 120.40 117.24 1xsk s VAL 619 Ca 0.80 0.82 0.12 0.00 0.00 0.00 0.00 61.98 63.71 1xsk s VAL 619 Cb -0.39 -3.75 0.49 0.00 0.00 0.00 0.00 36.38 32.73 1xsk s VAL 619 CO 0.43 0.35 1.42 0.49 0.00 0.00 0.00 175.10 177.79 1xsk n PHE 620 N 3.61 0.90 -3.98 5.22 3.72 -1.26 -4.82 117.46 120.85 1xsk n PHE 620 Ca -0.09 -1.38 -0.09 0.00 -0.05 0.00 0.00 57.45 55.84 1xsk n PHE 620 Cb 0.52 -0.41 -0.11 0.00 -0.94 0.00 0.00 39.48 38.54 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 -3.12 0.12 0.02 4.37 -4.23 -1.26 -4.91 115.64 106.62 1xsk s THR 621 Ca 0.43 -0.95 -0.26 0.00 -1.18 0.00 0.00 61.69 59.73 1xsk s THR 621 Cb 0.38 -0.34 -0.17 0.00 1.34 0.00 0.00 72.50 73.71 1xsk s THR 621 CO 0.02 -0.52 1.32 -0.08 -0.54 0.00 0.00 174.62 174.81 1xsk h GLU 622 N 4.54 -0.38 0.00 3.99 4.81 -1.94 -2.75 114.58 122.85 1xsk h GLU 622 Ca -0.32 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1xsk h GLU 622 Cb 1.21 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1xsk h GLU 622 CO 0.42 -0.08 0.13 0.00 -0.73 0.00 0.00 179.01 178.75 1xsk n ALA 623 N -2.43 0.80 -0.68 2.92 0.00 -1.26 -4.81 120.51 115.05 1xsk n ALA 623 Ca -0.10 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xsk n ALA 623 Cb 0.25 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1xsk n ALA 623 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsk n GLY 624 N -1.35 1.02 3.77 0.00 0.00 -1.04 -4.73 105.19 102.86 1xsk n GLY 624 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.05 6.83 -0.08 1.61 1.01 -1.26 -1.15 116.67 120.57 1xsk s ASP 625 Ca 0.00 2.64 -0.19 0.00 0.71 0.00 0.00 52.55 55.71 1xsk s ASP 625 Cb 0.00 -2.65 0.04 0.00 1.01 0.00 0.00 42.92 41.33 1xsk s ASP 625 CO 0.00 -0.50 0.45 0.54 0.21 0.00 0.00 175.17 175.88 1xsk s VAL 626 N -1.09 0.02 -0.05 -1.27 0.11 0.37 -4.44 120.40 114.06 1xsk s VAL 626 Ca 0.49 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1xsk s VAL 626 Cb -0.39 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1xsk s VAL 626 CO 0.51 -0.11 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.94 1xsk s GLN 627 N -0.73 1.59 0.07 1.54 -0.21 -1.26 -0.87 119.66 119.79 1xsk s GLN 627 Ca -0.08 -0.46 -0.05 0.00 0.02 0.00 0.00 55.36 54.79 1xsk s GLN 627 Cb -0.03 -1.36 -0.02 0.00 1.00 0.00 0.00 33.01 32.60 1xsk s GLN 627 CO 0.04 0.12 0.09 -0.59 -2.12 0.00 0.00 175.29 172.83 1xsk s PHE 628 N 0.36 0.30 -0.09 0.91 -0.12 -0.65 -4.98 117.98 113.71 1xsk s PHE 628 Ca -0.09 -0.76 -0.02 0.00 -0.05 0.00 0.00 56.93 56.01 1xsk s PHE 628 Cb -0.13 -0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 1xsk s PHE 628 CO 0.03 -0.46 0.01 -0.47 -0.05 0.00 0.00 175.22 174.28 1xsk s TYR 629 N -3.74 3.18 -0.11 3.49 5.04 -1.26 -0.23 117.35 123.72 1xsk s TYR 629 Ca 0.05 0.20 0.03 0.00 -2.44 0.00 0.00 57.07 54.91 1xsk s TYR 629 Cb 0.05 -1.80 0.00 0.00 0.35 0.00 0.00 41.96 40.57 1xsk s TYR 629 CO -0.10 0.47 -0.22 -1.17 -1.34 0.00 0.00 175.55 173.19 1xsk s LEU 630 N -0.85 2.05 0.00 6.97 2.96 -0.42 -4.99 118.68 124.39 1xsk s LEU 630 Ca 0.13 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.38 1xsk s LEU 630 Cb -0.11 -1.37 0.15 0.00 0.50 0.00 0.00 46.19 45.36 1xsk s LEU 630 CO 0.02 0.12 0.52 -2.65 -1.32 0.00 0.00 176.35 173.04 1xsk n PRO 631 N 3.75 -2.20 -1.66 0.98 -0.02 -1.26 0.18 135.00 134.78 1xsk n PRO 631 Ca -0.20 -0.84 -0.46 0.00 -2.02 0.00 0.00 63.50 59.99 1xsk n PRO 631 Cb 0.52 -0.81 -0.04 0.00 -0.02 0.00 0.00 33.50 33.16 1xsk n PRO 631 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xsk n GLU 632 N -3.21 1.93 0.00 -0.52 2.13 -1.26 -0.25 120.64 119.46 1xsk n GLU 632 Ca 0.07 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1xsk n GLU 632 Cb 0.29 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.63 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 2.58 0.90 3.18 8.31 0.00 -1.26 -4.82 105.19 114.07 1xsk n GLY 633 Ca 0.14 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.00 2.36 0.22 1.61 3.52 -1.26 0.16 118.95 124.57 1xsk s ARG 634 Ca 0.00 -1.38 -0.11 0.00 -0.13 0.00 0.00 55.73 54.11 1xsk s ARG 634 Cb 0.00 -3.32 -0.07 0.00 -1.56 0.00 0.00 34.95 29.99 1xsk s ARG 634 CO 0.00 -0.73 0.57 -1.58 -0.81 0.00 0.00 175.30 172.75 1xsk s TRP 635 N 1.25 3.46 -0.16 5.12 0.52 -0.31 -3.46 118.94 125.36 1xsk s TRP 635 Ca -0.01 0.96 0.01 0.00 0.02 0.00 0.00 56.10 57.07 1xsk s TRP 635 Cb -0.20 -2.32 0.02 0.00 -1.15 0.00 0.00 33.47 29.82 1xsk s TRP 635 CO -0.01 0.28 -0.16 0.99 0.02 0.00 0.00 176.95 178.07 1xsk s THR 636 N -1.77 1.75 0.14 2.01 2.01 -0.45 -1.18 115.64 118.15 1xsk s THR 636 Ca 0.46 -0.74 -0.34 0.00 0.31 0.00 0.00 61.69 61.38 1xsk s THR 636 Cb -0.12 -1.61 -0.14 0.00 0.01 0.00 0.00 72.50 70.64 1xsk s THR 636 CO 0.20 0.49 1.58 1.57 -0.69 0.00 0.00 174.62 177.78 1xsk n HIS 637 N 4.70 2.24 -0.29 4.92 -0.00 -0.18 -1.53 115.22 125.08 1xsk n HIS 637 Ca -0.18 0.27 0.34 0.00 0.46 0.00 0.00 57.72 58.61 1xsk n HIS 637 Cb 0.50 -2.54 0.74 0.00 -0.12 0.00 0.00 29.99 28.57 1xsk n HIS 637 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1xsk h LEU 638 N 6.06 0.00 0.00 0.27 5.85 -1.30 -2.34 115.31 123.85 1xsk h LEU 638 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1xsk h LEU 638 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1xsk h LEU 638 CO 0.89 0.00 -0.17 -2.67 -0.34 0.00 0.00 178.44 176.15 1xsk n TRP 639 N -4.13 0.00 0.30 1.25 2.14 -1.26 -4.76 117.44 110.98 1xsk n TRP 639 Ca 0.24 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.94 1xsk n TRP 639 Cb 1.21 0.00 0.26 0.00 -0.81 0.00 0.00 31.31 31.97 1xsk n TRP 639 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1xsk h HIS 640 N 0.00 0.00 -0.08 -2.67 3.86 -1.95 -3.47 115.15 110.85 1xsk h HIS 640 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1xsk h HIS 640 Cb 0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1xsk h HIS 640 CO 0.00 0.00 -0.03 -1.71 0.86 0.00 0.00 177.93 177.05 1xsk n ASN 641 N -2.93 -5.53 -4.84 2.45 5.15 -0.88 -4.97 115.26 103.71 1xsk n ASN 641 Ca 0.04 0.04 -0.31 0.00 -0.60 0.00 0.00 54.58 53.75 1xsk n ASN 641 Cb 0.49 -3.17 0.04 0.00 -0.53 0.00 0.00 39.78 36.61 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 -2.07 5.51 0.19 1.20 -4.77 -1.26 -4.68 116.67 110.79 1xsk s ASP 642 Ca 0.00 1.49 0.11 0.00 -3.30 0.00 0.00 52.55 50.85 1xsk s ASP 642 Cb 0.00 -2.39 -0.04 0.00 -1.09 0.00 0.00 42.92 39.39 1xsk s ASP 642 CO 0.00 -1.34 -0.22 -1.61 0.70 0.00 0.00 175.17 172.69 1xsk s GLU 643 N -5.12 1.45 -0.04 2.11 2.02 -1.26 -1.01 118.70 116.86 1xsk s GLU 643 Ca 0.58 -1.50 -0.06 0.00 0.02 0.00 0.00 54.97 54.01 1xsk s GLU 643 Cb -0.13 -1.70 0.01 0.00 0.10 0.00 0.00 34.13 32.41 1xsk s GLU 643 CO 0.54 0.36 0.15 -0.51 0.02 0.00 0.00 175.26 175.83 1xsk s LEU 644 N -2.68 1.46 -0.03 1.80 1.43 -0.32 -4.99 118.68 115.34 1xsk s LEU 644 Ca 0.19 0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 1xsk s LEU 644 Cb -0.07 0.59 -0.03 0.00 0.03 0.00 0.00 46.19 46.71 1xsk s LEU 644 CO 0.09 -0.17 0.94 -1.81 0.23 0.00 0.00 176.35 175.63 1xsk s ASP 645 N -0.46 7.29 0.71 2.29 1.01 -1.26 -1.16 116.67 125.09 1xsk s ASP 645 Ca -0.05 1.56 0.00 0.00 0.71 0.00 0.00 52.55 54.77 1xsk s ASP 645 Cb -0.04 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1xsk s ASP 645 CO 0.01 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.72 1xsk n GLY 646 N 2.97 -1.64 2.33 0.21 0.00 0.44 -4.52 105.19 104.98 1xsk n GLY 646 Ca 0.05 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 1xsk n GLY 646 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xsk n SER 647 N -2.12 -4.85 -3.70 1.61 2.88 0.48 -4.75 113.62 103.16 1xsk n SER 647 Ca 0.00 0.03 -0.06 0.00 -1.33 0.00 0.00 58.87 57.51 1xsk n SER 647 Cb 0.00 -3.94 -0.02 0.00 -0.75 0.00 0.00 64.21 59.50 1xsk n SER 647 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsk s ARG 648 N -4.65 1.28 0.40 -1.46 1.70 -0.62 -4.98 118.95 110.62 1xsk s ARG 648 Ca 0.00 -0.66 -0.11 0.00 -0.47 0.00 0.00 55.73 54.49 1xsk s ARG 648 Cb 0.00 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.78 1xsk s ARG 648 CO 0.00 -0.58 0.77 -1.58 -1.08 0.00 0.00 175.30 172.83 1xsk s TRP 649 N -3.45 3.47 0.02 5.89 0.52 -1.26 -1.31 118.94 122.82 1xsk s TRP 649 Ca 0.10 1.06 0.01 0.00 0.02 0.00 0.00 56.10 57.29 1xsk s TRP 649 Cb -0.02 -2.46 -0.02 0.00 -1.15 0.00 0.00 33.47 29.83 1xsk s TRP 649 CO -0.00 -0.10 -0.05 -1.01 0.02 0.00 0.00 176.95 175.80 1xsk s HIS 650 N -2.36 0.44 -0.17 -1.98 3.76 0.68 -4.95 115.29 110.72 1xsk s HIS 650 Ca 0.52 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 55.07 1xsk s HIS 650 Cb -0.10 -0.28 0.03 0.00 1.11 0.00 0.00 32.58 33.33 1xsk s HIS 650 CO 0.31 -0.08 -0.15 0.21 -0.85 0.00 0.00 174.74 174.17 1xsk s LYS 651 N -1.05 2.45 0.27 1.40 2.20 -1.26 -1.64 119.74 122.11 1xsk s LYS 651 Ca -0.08 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 54.86 1xsk s LYS 651 Cb -0.07 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.90 1xsk s LYS 651 CO -0.00 -0.27 0.07 -0.65 -0.36 0.00 0.00 175.35 174.14 1xsk s GLN 652 N 1.41 1.45 -0.09 4.03 -0.21 -0.05 -4.99 119.66 121.21 1xsk s GLN 652 Ca 0.04 -1.78 -0.01 0.00 0.02 0.00 0.00 55.36 53.63 1xsk s GLN 652 Cb -0.14 -0.47 0.03 0.00 1.00 0.00 0.00 33.01 33.43 1xsk s GLN 652 CO -0.11 -0.23 -0.05 -1.14 -2.12 0.00 0.00 175.29 171.64 1xsk s GLN 653 N -3.97 1.14 0.16 2.91 0.74 -1.26 -0.48 119.66 118.90 1xsk s GLN 653 Ca 0.36 -0.11 0.10 0.00 0.05 0.00 0.00 55.36 55.75 1xsk s GLN 653 Cb 0.08 -1.29 -0.04 0.00 1.10 0.00 0.00 33.01 32.85 1xsk s GLN 653 CO 0.13 -0.25 -0.16 -1.01 -0.55 0.00 0.00 175.29 173.44 1xsk s HIS 654 N 1.70 2.51 0.55 1.67 3.76 -0.30 -4.95 115.29 120.23 1xsk s HIS 654 Ca 0.03 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1xsk s HIS 654 Cb -0.13 -1.27 0.03 0.00 1.11 0.00 0.00 32.58 32.32 1xsk s HIS 654 CO -0.06 0.47 0.78 0.20 -0.85 0.00 0.00 174.74 175.28 1xsk s GLY 655 N -2.56 1.76 0.00 -2.22 0.00 -1.26 -4.33 107.32 98.70 1xsk s GLY 655 Ca 0.21 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.72 1xsk s GLY 655 CO 0.12 -0.94 0.68 0.69 0.00 0.00 0.00 173.10 173.66 1xsk n PHE 656 N -2.36 0.00 0.59 1.90 3.72 -1.26 -0.02 117.46 120.03 1xsk n PHE 656 Ca 0.07 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.54 1xsk n PHE 656 Cb 0.59 -0.22 0.07 0.00 -0.94 0.00 0.00 39.48 38.98 1xsk n PHE 656 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xsk n LEU 657 N -1.18 2.30 -4.16 4.37 4.32 -1.26 -4.79 117.00 116.59 1xsk n LEU 657 Ca 0.00 -1.04 -0.11 0.00 -0.02 0.00 0.00 56.01 54.84 1xsk n LEU 657 Cb 0.04 -0.01 -0.10 0.00 -1.62 0.00 0.00 43.42 41.73 1xsk n LEU 657 CO 0.00 0.42 -0.39 -0.55 -1.22 0.00 0.00 177.39 175.65 1xsk s SER 658 N -1.25 1.17 -0.06 -1.43 0.15 0.97 -5.03 113.70 108.23 1xsk s SER 658 Ca 0.18 -0.93 -0.30 0.00 0.70 0.00 0.00 55.95 55.60 1xsk s SER 658 Cb 0.13 0.07 0.11 0.00 -1.71 0.00 0.00 66.02 64.62 1xsk s SER 658 CO 0.19 -0.41 0.92 -1.48 1.20 0.00 0.00 173.24 173.67 1xsk s LEU 659 N -2.82 -0.36 -0.06 3.45 2.34 -1.26 -4.32 118.68 115.64 1xsk s LEU 659 Ca 0.09 0.13 -0.29 0.00 0.06 0.00 0.00 54.13 54.11 1xsk s LEU 659 Cb 0.03 1.97 -0.07 0.00 -0.56 0.00 0.00 46.19 47.55 1xsk s LEU 659 CO -0.03 -0.53 1.98 -2.84 -1.06 0.00 0.00 176.35 173.87 1xsk s PRO 660 N -2.51 3.84 -0.37 1.48 0.02 -1.25 -4.89 135.00 131.32 1xsk s PRO 660 Ca 0.03 2.35 0.01 0.00 0.02 0.00 0.00 61.00 63.40 1xsk s PRO 660 Cb -0.01 -4.20 0.14 0.00 0.02 0.00 0.00 34.50 30.46 1xsk s PRO 660 CO -0.05 -1.29 0.22 0.08 -0.33 0.00 0.00 177.00 175.63 1xsk s VAL 661 N 5.54 0.35 -0.14 3.83 1.01 -1.25 -1.65 120.40 128.10 1xsk s VAL 661 Ca 0.89 -1.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1xsk s VAL 661 Cb -0.38 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1xsk s VAL 661 CO 0.38 -0.99 -0.01 -0.31 0.00 0.00 0.00 175.10 174.17 1xsk s TYR 662 N 0.89 3.10 -0.11 5.22 2.02 0.22 -0.76 117.35 127.93 1xsk s TYR 662 Ca 0.19 -0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.68 1xsk s TYR 662 Cb -0.21 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.38 1xsk s TYR 662 CO -0.00 0.16 0.30 0.08 -1.57 0.00 0.00 175.55 174.52 1xsk s VAL 663 N -0.05 5.26 0.61 0.71 1.01 -0.58 -0.64 120.40 126.73 1xsk s VAL 663 Ca 0.03 0.58 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 1xsk s VAL 663 Cb -0.13 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1xsk s VAL 663 CO 0.02 0.48 1.05 0.00 0.00 0.00 0.00 175.10 176.65 1xsk s ARG 664 N -0.22 3.31 1.16 2.72 1.70 -0.82 -1.34 118.95 125.46 1xsk s ARG 664 Ca 0.18 1.07 -0.13 0.00 -0.47 0.00 0.00 55.73 56.38 1xsk s ARG 664 Cb -0.14 -2.04 0.28 0.00 -0.57 0.00 0.00 34.95 32.48 1xsk s ARG 664 CO 0.07 -0.80 1.03 0.16 -1.08 0.00 0.00 175.30 174.68 1xsk s ASP 665 N -3.19 1.11 -1.50 -2.89 3.84 -1.22 -3.79 116.67 109.03 1xsk s ASP 665 Ca 0.61 1.36 -0.12 0.00 -0.00 0.00 0.00 52.55 54.40 1xsk s ASP 665 Cb -0.14 -2.11 0.07 0.00 -1.38 0.00 0.00 42.92 39.36 1xsk s ASP 665 CO 0.42 -4.10 0.98 0.59 -0.00 0.00 0.00 175.17 173.07 1xsk n ASN 666 N -4.83 -4.66 -4.32 2.11 3.02 -0.08 -4.98 115.26 101.52 1xsk n ASN 666 Ca 0.03 -0.76 -0.30 0.00 -0.03 0.00 0.00 54.58 53.53 1xsk n ASN 666 Cb 0.55 -4.02 -0.15 0.00 -0.61 0.00 0.00 39.78 35.55 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 -3.34 2.06 -0.27 3.41 2.01 -1.05 -4.52 115.64 113.94 1xsk s THR 667 Ca 0.60 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1xsk s THR 667 Cb -0.30 -1.74 0.07 0.00 0.01 0.00 0.00 72.50 70.55 1xsk s THR 667 CO 0.82 0.45 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.95 1xsk s LEU 668 N -0.94 3.22 -0.11 4.42 2.96 -1.26 0.44 118.68 127.41 1xsk s LEU 668 Ca 0.11 -1.49 -0.05 0.00 -0.22 0.00 0.00 54.13 52.48 1xsk s LEU 668 Cb -0.10 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1xsk s LEU 668 CO 0.01 -0.28 0.07 -0.22 -1.32 0.00 0.00 176.35 174.61 1xsk s LEU 669 N 1.24 3.95 -0.21 -0.68 2.96 0.22 -4.37 118.68 121.80 1xsk s LEU 669 Ca -0.01 0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 1xsk s LEU 669 Cb -0.19 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1xsk s LEU 669 CO -0.08 0.37 0.07 0.00 -1.32 0.00 0.00 176.35 175.39 1xsk s ALA 670 N -0.79 3.34 -0.03 5.97 0.00 -1.26 -0.31 121.76 128.68 1xsk s ALA 670 Ca 0.13 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.26 1xsk s ALA 670 Cb -0.12 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1xsk s ALA 670 CO 0.03 -0.08 -0.24 -0.51 0.00 0.00 0.00 175.76 174.96 1xsk s LEU 671 N 0.86 2.18 0.78 0.00 1.02 -1.12 -3.25 118.68 119.15 1xsk s LEU 671 Ca 0.04 -0.43 -0.08 0.00 0.02 0.00 0.00 54.13 53.68 1xsk s LEU 671 Cb -0.14 -1.39 0.11 0.00 0.02 0.00 0.00 46.19 44.79 1xsk s LEU 671 CO 0.02 0.31 1.10 -0.83 0.02 0.00 0.00 176.35 176.97 1xsk s GLY 672 N -0.54 1.71 -0.15 -3.19 0.00 0.12 -0.72 107.32 104.55 1xsk s GLY 672 Ca 0.08 -1.10 0.16 0.00 0.00 0.00 0.00 44.72 43.85 1xsk s GLY 672 CO 0.00 -0.57 1.54 1.16 0.00 0.00 0.00 173.10 175.22 1xsk n ASN 673 N -3.14 4.45 -3.93 1.64 6.94 -1.26 -4.79 115.26 115.17 1xsk n ASN 673 Ca 0.11 -2.73 -0.27 0.00 -0.02 0.00 0.00 54.58 51.67 1xsk n ASN 673 Cb 0.60 -0.55 -0.17 0.00 -2.36 0.00 0.00 39.78 37.31 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 -1.28 2.28 -0.19 0.53 3.84 -1.26 -5.00 114.94 113.85 1xsk s ASN 674 Ca 0.45 -0.34 0.16 0.00 0.21 0.00 0.00 52.86 53.34 1xsk s ASN 674 Cb 0.33 -0.90 0.57 0.00 -0.55 0.00 0.00 41.25 40.69 1xsk s ASN 674 CO 0.15 -0.11 1.46 -0.90 -2.79 0.00 0.00 177.10 174.92 1xsk n ASP 675 N 4.91 4.07 -0.01 -4.21 5.75 -1.26 -3.83 116.55 121.96 1xsk n ASP 675 Ca -0.13 -3.04 0.03 0.00 -0.01 0.00 0.00 54.79 51.65 1xsk n ASP 675 Cb 0.50 -0.57 -0.07 0.00 -1.03 0.00 0.00 41.12 39.95 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 -0.41 0.63 -3.77 0.11 1.13 -1.26 -4.27 117.38 109.54 1xsk n GLN 676 Ca 0.23 -0.07 -0.10 0.00 -1.94 0.00 0.00 57.00 55.11 1xsk n GLN 676 Cb 0.94 -1.22 -0.07 0.00 0.11 0.00 0.00 30.24 30.00 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 -2.59 0.85 0.05 -1.09 1.70 -1.26 -4.71 118.95 111.90 1xsk s ARG 677 Ca -0.04 -0.68 0.03 0.00 -0.47 0.00 0.00 55.73 54.58 1xsk s ARG 677 Cb 0.06 0.36 -0.24 0.00 -0.57 0.00 0.00 34.95 34.55 1xsk s ARG 677 CO 0.39 -0.28 1.03 -1.00 -1.08 0.00 0.00 175.30 174.35 1xsk h PRO 678 N 2.97 0.11 -4.48 3.89 0.13 -1.87 -3.44 132.00 129.31 1xsk h PRO 678 Ca -0.33 -0.19 -0.72 0.00 -0.87 0.00 0.00 66.00 63.89 1xsk h PRO 678 Cb 1.21 0.07 -0.21 0.00 0.13 0.00 0.00 31.00 32.20 1xsk h PRO 678 CO 0.49 0.98 -0.01 0.16 -0.23 0.00 0.00 178.00 179.39 1xsk s ASP 679 N -6.75 6.19 0.23 1.44 -4.77 -1.26 -4.90 116.67 106.85 1xsk s ASP 679 Ca -0.04 -1.54 -0.17 0.00 -3.30 0.00 0.00 52.55 47.50 1xsk s ASP 679 Cb 0.08 -2.27 0.02 0.00 -1.09 0.00 0.00 42.92 39.66 1xsk s ASP 679 CO 0.84 -1.01 0.56 -0.72 0.70 0.00 0.00 175.17 175.54 1xsk s TYR 680 N 2.28 -0.01 -0.78 2.11 1.13 -1.26 -5.04 117.35 115.77 1xsk s TYR 680 Ca 0.08 -0.36 -0.25 0.00 -1.41 0.00 0.00 57.07 55.13 1xsk s TYR 680 Cb -0.26 0.41 -0.08 0.00 -1.10 0.00 0.00 41.96 40.94 1xsk s TYR 680 CO 0.05 -1.01 2.14 0.14 -2.51 0.00 0.00 175.55 174.36 1xsk s VAL 681 N -3.92 3.24 0.50 -3.49 -7.23 -1.26 -4.80 120.40 103.44 1xsk s VAL 681 Ca 0.13 -0.13 0.16 0.00 -1.81 0.00 0.00 61.98 60.33 1xsk s VAL 681 Cb -0.02 -3.56 0.25 0.00 0.56 0.00 0.00 36.38 33.61 1xsk s VAL 681 CO 0.02 -0.53 2.11 -0.50 -0.31 0.00 0.00 175.10 175.89 1xsk h TRP 682 N 13.11 0.00 -0.16 2.82 6.55 -1.96 -3.00 115.95 133.32 1xsk h TRP 682 Ca -0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1xsk h TRP 682 Cb 1.05 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 1xsk h TRP 682 CO 1.15 0.05 0.00 -2.39 -1.05 0.00 0.00 178.44 176.20 1xsk n HIS 683 N -4.43 0.43 -3.90 0.49 1.44 -1.26 -4.23 115.22 103.76 1xsk n HIS 683 Ca -0.03 -0.16 -0.28 0.00 -2.01 0.00 0.00 57.72 55.25 1xsk n HIS 683 Cb 0.14 -0.13 -0.17 0.00 0.12 0.00 0.00 29.99 29.95 1xsk n HIS 683 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1xsk s GLU 684 N -1.55 1.49 0.00 -1.40 2.02 -1.14 -1.27 118.70 116.85 1xsk s GLU 684 Ca 0.13 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1xsk s GLU 684 Cb 0.09 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.52 1xsk s GLU 684 CO 0.06 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1xsk n GLY 685 N 4.91 0.71 3.66 -1.39 0.00 -0.20 -4.67 105.19 108.21 1xsk n GLY 685 Ca -0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 1xsk n GLY 685 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsk n THR 686 N -2.54 1.13 -3.84 2.61 -1.04 -1.26 -4.30 114.28 105.04 1xsk n THR 686 Ca 0.00 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.40 1xsk n THR 686 Cb 0.00 -1.41 -0.12 0.00 -1.82 0.00 0.00 70.33 66.98 1xsk n THR 686 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xsk s ALA 687 N -0.25 3.43 0.43 2.41 0.00 0.10 -1.65 121.76 126.22 1xsk s ALA 687 Ca 0.66 -3.25 -0.24 0.00 0.00 0.00 0.00 51.96 49.13 1xsk s ALA 687 Cb -0.66 -2.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 1xsk s ALA 687 CO 0.52 -2.05 1.18 -0.06 0.00 0.00 0.00 175.76 175.36 1xsk s PHE 688 N -0.15 2.95 -0.11 0.00 0.08 0.35 -2.81 117.98 118.28 1xsk s PHE 688 Ca 0.17 1.53 -0.01 0.00 0.12 0.00 0.00 56.93 58.73 1xsk s PHE 688 Cb -0.23 -3.42 0.03 0.00 -0.57 0.00 0.00 43.02 38.83 1xsk s PHE 688 CO -0.02 -1.51 -0.02 -1.01 -0.10 0.00 0.00 175.22 172.57 1xsk s HIS 689 N -1.45 1.03 -0.13 0.36 3.76 0.58 -0.65 115.29 118.78 1xsk s HIS 689 Ca 0.60 -0.50 -0.16 0.00 -0.15 0.00 0.00 55.06 54.85 1xsk s HIS 689 Cb -0.31 -0.99 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 1xsk s HIS 689 CO 0.38 -0.44 0.41 -1.17 -0.85 0.00 0.00 174.74 173.06 1xsk s LEU 690 N 1.86 4.27 -0.19 0.89 2.96 -0.76 -0.61 118.68 127.09 1xsk s LEU 690 Ca 0.04 0.70 -0.00 0.00 -0.22 0.00 0.00 54.13 54.65 1xsk s LEU 690 Cb -0.13 -2.57 0.01 0.00 0.50 0.00 0.00 46.19 44.00 1xsk s LEU 690 CO -0.07 0.05 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.50 1xsk s PHE 691 N 0.51 2.84 -0.64 5.38 0.08 0.17 -2.40 117.98 123.93 1xsk s PHE 691 Ca 0.22 -1.47 -0.08 0.00 0.12 0.00 0.00 56.93 55.72 1xsk s PHE 691 Cb -0.14 -1.97 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1xsk s PHE 691 CO 0.08 -0.74 0.41 0.09 -0.10 0.00 0.00 175.22 174.96 1xsk n ASN 692 N 4.67 -3.01 -4.63 1.36 5.03 -1.26 -0.90 115.26 116.51 1xsk n ASN 692 Ca -0.20 -0.73 -0.43 0.00 0.87 0.00 0.00 54.58 54.09 1xsk n ASN 692 Cb 0.50 -1.05 -0.02 0.00 -1.02 0.00 0.00 39.78 38.19 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 -4.90 3.92 0.53 3.41 0.20 -1.26 -1.40 118.68 119.18 1xsk s LEU 693 Ca 0.11 1.23 -0.16 0.00 0.69 0.00 0.00 54.13 56.01 1xsk s LEU 693 Cb -0.06 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 42.09 1xsk s LEU 693 CO 0.61 -1.02 0.99 -1.10 -0.29 0.00 0.00 176.35 175.54 1xsk s GLN 694 N 4.04 3.87 0.06 1.98 -0.21 -1.26 -4.97 119.66 123.17 1xsk s GLN 694 Ca 0.55 0.93 -0.30 0.00 0.02 0.00 0.00 55.36 56.55 1xsk s GLN 694 Cb -0.16 -2.12 -0.09 0.00 1.00 0.00 0.00 33.01 31.63 1xsk s GLN 694 CO 0.21 -0.33 1.94 -3.47 -2.12 0.00 0.00 175.29 171.52 1xsk n ASP 695 N -1.79 4.15 0.00 5.90 2.03 -1.26 -2.08 116.55 123.50 1xsk n ASP 695 Ca 0.07 0.92 0.00 0.00 0.52 0.00 0.00 54.79 56.30 1xsk n ASP 695 Cb 0.54 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 4.47 0.74 3.45 0.27 0.00 0.20 -5.02 105.19 109.30 1xsk n GLY 696 Ca 0.19 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 1.99 -0.07 1.61 3.76 -0.88 -4.98 115.29 114.71 1xsk s HIS 697 Ca 0.00 -0.79 -0.01 0.00 -0.15 0.00 0.00 55.06 54.11 1xsk s HIS 697 Cb 0.00 -1.21 0.03 0.00 1.11 0.00 0.00 32.58 32.50 1xsk s HIS 697 CO 0.00 0.19 0.01 -2.00 -0.85 0.00 0.00 174.74 172.09 1xsk s GLU 698 N -3.78 0.54 -0.15 1.40 2.12 -1.26 -1.55 118.70 116.01 1xsk s GLU 698 Ca 0.32 0.13 -0.12 0.00 0.36 0.00 0.00 54.97 55.66 1xsk s GLU 698 Cb 0.06 -0.90 -0.05 0.00 0.26 0.00 0.00 34.13 33.50 1xsk s GLU 698 CO 0.13 -0.29 0.23 0.00 -0.54 0.00 0.00 175.26 174.79 1xsk s ALA 699 N 1.92 3.68 0.10 6.30 0.00 -0.57 -4.94 121.76 128.24 1xsk s ALA 699 Ca 0.04 -0.54 0.10 0.00 0.00 0.00 0.00 51.96 51.56 1xsk s ALA 699 Cb -0.12 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1xsk s ALA 699 CO -0.05 0.23 -0.27 0.08 0.00 0.00 0.00 175.76 175.76 1xsk s VAL 700 N 0.07 2.24 -0.08 0.00 1.01 -1.26 -1.28 120.40 121.09 1xsk s VAL 700 Ca 0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.46 1xsk s VAL 700 Cb -0.12 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.35 1xsk s VAL 700 CO 0.03 0.19 0.18 0.00 0.00 0.00 0.00 175.10 175.49 1xsk s GLU 702 N 1.58 3.14 -0.21 0.00 2.02 -1.26 -1.54 118.70 122.43 1xsk s GLU 702 Ca -0.05 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.02 1xsk s GLU 702 Cb -0.12 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 1xsk s GLU 702 CO -0.07 -0.06 0.30 0.08 0.02 0.00 0.00 175.26 175.53 1xsk s VAL 703 N 0.99 5.27 0.55 2.63 1.01 0.60 -4.86 120.40 126.60 1xsk s VAL 703 Ca -0.02 0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 1xsk s VAL 703 Cb -0.15 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1xsk s VAL 703 CO -0.04 0.31 0.87 -2.16 0.00 0.00 0.00 175.10 174.08 1xsk s PRO 704 N 1.09 3.27 0.63 2.72 0.04 -1.26 -0.28 135.00 141.21 1xsk s PRO 704 Ca 0.15 0.19 0.07 0.00 0.04 0.00 0.00 61.00 61.44 1xsk s PRO 704 Cb -0.14 -2.28 0.11 0.00 0.04 0.00 0.00 34.50 32.22 1xsk s PRO 704 CO 0.06 -0.48 0.87 0.00 0.04 0.00 0.00 177.00 177.49 1xsk s ALA 705 N -2.92 4.44 0.29 8.56 0.00 -0.16 -4.67 121.76 127.30 1xsk s ALA 705 Ca 0.51 -2.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 1xsk s ALA 705 Cb -0.10 -1.59 0.47 0.00 0.00 0.00 0.00 23.12 21.89 1xsk s ALA 705 CO 0.46 -1.10 1.90 0.00 0.00 0.00 0.00 175.76 177.03 1xsk h ALA 706 N -0.07 1.46 -0.01 0.00 0.00 -1.95 -2.03 119.26 116.66 1xsk h ALA 706 Ca -0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xsk h ALA 706 Cb 1.28 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1xsk h ALA 706 CO 0.40 0.40 0.00 -0.40 0.00 0.00 0.00 179.25 179.65 1xsk n ASP 707 N -4.49 0.09 0.00 0.00 5.68 -1.26 -4.78 116.55 111.79 1xsk n ASP 707 Ca 0.14 -1.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1xsk n ASP 707 Cb 0.18 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.80 3.15 3.72 6.12 0.00 -0.76 -5.05 105.19 113.17 1xsk n GLY 708 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1xsk n GLY 708 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsk s SER 709 N 0.04 3.83 -0.08 1.61 1.04 -1.26 -4.61 113.70 114.27 1xsk s SER 709 Ca 0.00 2.12 -0.30 0.00 0.48 0.00 0.00 55.95 58.25 1xsk s SER 709 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1xsk s SER 709 CO 0.00 -2.49 1.06 -0.69 0.98 0.00 0.00 173.24 172.10 1xsk s VAL 710 N -2.53 4.62 -0.04 5.02 1.01 -1.26 -0.99 120.40 126.22 1xsk s VAL 710 Ca 0.67 1.90 0.17 0.00 0.00 0.00 0.00 61.98 64.72 1xsk s VAL 710 Cb -0.23 -4.22 -0.26 0.00 0.00 0.00 0.00 36.38 31.68 1xsk s VAL 710 CO 0.53 0.02 0.33 0.00 0.00 0.00 0.00 175.10 175.98 1xsk n ILE 711 N 4.50 0.16 -3.68 2.22 3.06 0.61 -4.86 119.36 121.37 1xsk n ILE 711 Ca 0.09 -0.44 -0.14 0.00 -2.50 0.00 0.00 62.75 59.76 1xsk n ILE 711 Cb 0.48 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.58 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 -3.07 -0.50 -0.01 9.51 5.36 -0.99 -0.87 117.98 127.41 1xsk s PHE 712 Ca -0.07 1.11 0.03 0.00 -0.96 0.00 0.00 56.93 57.05 1xsk s PHE 712 Cb 0.10 0.21 -0.01 0.00 -0.34 0.00 0.00 43.02 42.98 1xsk s PHE 712 CO 0.71 -0.35 -0.11 0.99 -1.46 0.00 0.00 175.22 174.99 1xsk s THR 713 N -0.28 0.89 -0.03 0.12 2.01 0.13 -0.29 115.64 118.19 1xsk s THR 713 Ca -0.04 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1xsk s THR 713 Cb -0.03 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1xsk s THR 713 CO 0.03 0.23 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.92 1xsk s LEU 714 N -0.33 1.58 -0.01 4.42 1.98 -0.59 -0.38 118.68 125.35 1xsk s LEU 714 Ca 0.04 -0.11 0.05 0.00 -2.89 0.00 0.00 54.13 51.22 1xsk s LEU 714 Cb -0.05 -0.37 -0.01 0.00 0.66 0.00 0.00 46.19 46.42 1xsk s LEU 714 CO -0.00 -0.01 -0.17 -0.54 -1.89 0.00 0.00 176.35 173.74 1xsk s LYS 715 N 0.50 1.41 -0.34 1.98 1.02 0.33 -1.91 119.74 122.73 1xsk s LYS 715 Ca -0.06 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.34 1xsk s LYS 715 Cb -0.10 -1.36 0.10 0.00 -0.52 0.00 0.00 37.83 35.96 1xsk s LYS 715 CO -0.00 0.37 0.08 0.00 -0.92 0.00 0.00 175.35 174.87 1xsk s ALA 716 N -0.39 2.56 -0.23 5.17 0.00 -0.40 -2.34 121.76 126.13 1xsk s ALA 716 Ca 0.06 -2.36 -0.07 0.00 0.00 0.00 0.00 51.96 49.60 1xsk s ALA 716 Cb -0.07 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1xsk s ALA 716 CO -0.01 -1.71 0.05 0.00 0.00 0.00 0.00 175.76 174.09 1xsk s ALA 717 N 1.01 3.14 -0.34 0.00 0.00 -0.94 -1.51 121.76 123.12 1xsk s ALA 717 Ca 0.11 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 1xsk s ALA 717 Cb -0.19 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1xsk s ALA 717 CO -0.12 -0.31 0.20 0.50 0.00 0.00 0.00 175.76 176.04 1xsk s ARG 718 N 1.28 3.20 0.00 0.00 3.52 -0.60 -1.26 118.95 125.10 1xsk s ARG 718 Ca 0.04 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 1xsk s ARG 718 Cb -0.15 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.54 1xsk s ARG 718 CO 0.03 -0.53 0.00 2.41 -0.81 0.00 0.00 175.30 176.40 1xsk n THR 719 N 5.03 0.00 -0.02 4.11 -1.04 -0.31 0.62 114.28 122.67 1xsk n THR 719 Ca -0.13 0.19 -0.06 0.00 -2.04 0.00 0.00 64.05 62.00 1xsk n THR 719 Cb 0.48 -0.62 -0.02 0.00 -1.82 0.00 0.00 70.33 68.35 1xsk n THR 719 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xsk n GLY 720 N 2.30 -0.21 0.08 3.41 0.00 -1.26 -3.39 105.19 106.13 1xsk n GLY 720 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1xsk n GLY 720 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsk n ASN 721 N -3.72 0.00 -4.41 1.61 4.13 -1.26 -4.91 115.26 106.69 1xsk n ASN 721 Ca -0.11 -1.05 -0.33 0.00 1.68 0.00 0.00 54.58 54.76 1xsk n ASN 721 Cb 0.37 -0.01 -0.14 0.00 -1.54 0.00 0.00 39.78 38.46 1xsk n ASN 721 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xsk s THR 722 N 0.00 3.28 -0.20 3.41 2.01 -1.26 -1.51 115.64 121.37 1xsk s THR 722 Ca 0.00 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 1xsk s THR 722 Cb 0.00 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 70.13 1xsk s THR 722 CO 0.00 0.52 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.69 1xsk s ILE 723 N 0.26 2.62 -0.16 1.82 1.01 -0.48 -1.17 121.20 125.10 1xsk s ILE 723 Ca -0.07 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1xsk s ILE 723 Cb -0.15 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1xsk s ILE 723 CO 0.05 0.49 0.09 -0.89 0.00 0.00 0.00 174.94 174.67 1xsk s THR 724 N 1.37 5.06 -0.16 2.92 2.01 -0.39 -1.88 115.64 124.57 1xsk s THR 724 Ca 0.05 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 1xsk s THR 724 Cb -0.14 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 1xsk s THR 724 CO -0.09 0.50 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.56 1xsk s VAL 725 N -0.06 3.23 -0.01 3.82 1.01 -0.73 -2.23 120.40 125.44 1xsk s VAL 725 Ca 0.08 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1xsk s VAL 725 Cb -0.12 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 1xsk s VAL 725 CO 0.01 0.49 -0.04 0.42 0.00 0.00 0.00 175.10 175.98 1xsk s THR 726 N 0.69 0.34 -0.02 3.92 -4.23 -0.99 -3.68 115.64 111.67 1xsk s THR 726 Ca -0.05 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 1xsk s THR 726 Cb -0.15 -0.30 0.01 0.00 1.34 0.00 0.00 72.50 73.40 1xsk s THR 726 CO 0.02 0.10 -0.02 -0.83 -0.54 0.00 0.00 174.62 173.35 1xsk s GLY 727 N -0.03 0.22 0.04 3.99 0.00 -1.26 -0.52 107.32 109.77 1xsk s GLY 727 Ca 0.01 -0.03 0.08 0.00 0.00 0.00 0.00 44.72 44.78 1xsk s GLY 727 CO -0.00 0.17 -0.23 0.00 0.00 0.00 0.00 173.10 173.04 1xsk s ALA 728 N 0.38 1.92 0.00 3.20 0.00 0.49 -4.96 121.76 122.79 1xsk s ALA 728 Ca -0.04 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1xsk s ALA 728 Cb -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1xsk s ALA 728 CO -0.01 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.60 1xsk n GLY 729 N 1.83 -0.32 3.41 0.00 0.00 -1.26 0.22 105.19 109.08 1xsk n GLY 729 Ca -0.17 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.23 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 3.08 -0.02 1.61 2.12 -0.05 -4.93 118.70 120.52 1xsk s GLU 730 Ca 0.00 -0.90 -0.12 0.00 0.36 0.00 0.00 54.97 54.31 1xsk s GLU 730 Cb 0.00 -3.67 0.02 0.00 0.26 0.00 0.00 34.13 30.74 1xsk s GLU 730 CO 0.00 -0.57 0.25 0.00 -0.54 0.00 0.00 175.26 174.41 1xsk s ALA 731 N 1.59 -0.63 0.01 6.30 0.00 -1.26 -4.50 121.76 123.27 1xsk s ALA 731 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1xsk s ALA 731 Cb -0.18 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1xsk s ALA 731 CO 0.07 -0.23 -0.02 0.15 0.00 0.00 0.00 175.76 175.73 1xsk s LYS 732 N -1.18 0.23 -1.57 0.00 3.01 -0.40 -4.92 119.74 114.91 1xsk s LYS 732 Ca -0.12 -0.45 -0.04 0.00 -1.01 0.00 0.00 55.97 54.34 1xsk s LYS 732 Cb -0.06 0.08 0.04 0.00 -1.01 0.00 0.00 37.83 36.88 1xsk s LYS 732 CO 0.03 -0.04 0.23 -1.71 0.51 0.00 0.00 175.35 174.37 1xsk n ASN 733 N 1.99 0.04 -4.97 2.83 2.85 -1.26 -1.04 115.26 115.70 1xsk n ASN 733 Ca -0.21 -1.19 -0.21 0.00 -0.11 0.00 0.00 54.58 52.86 1xsk n ASN 733 Cb 0.56 -2.03 -0.02 0.00 1.24 0.00 0.00 39.78 39.54 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 -4.08 3.40 0.15 1.20 1.48 -1.26 -3.36 118.94 116.48 1xsk s TRP 734 Ca 0.15 -0.04 0.06 0.00 -1.06 0.00 0.00 56.10 55.20 1xsk s TRP 734 Cb -0.09 -1.64 -0.04 0.00 -1.16 0.00 0.00 33.47 30.54 1xsk s TRP 734 CO 0.97 0.37 -0.12 -0.08 -4.06 0.00 0.00 176.95 174.03 1xsk s THR 735 N -2.01 1.34 -0.23 0.66 -1.32 -0.66 -4.51 115.64 108.91 1xsk s THR 735 Ca 0.36 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.84 1xsk s THR 735 Cb -0.09 -1.80 0.06 0.00 -1.51 0.00 0.00 72.50 69.16 1xsk s THR 735 CO 0.29 -0.62 -0.05 -0.22 -2.21 0.00 0.00 174.62 171.82 1xsk s LEU 736 N -3.00 2.42 -0.28 9.08 1.98 0.06 -0.50 118.68 128.44 1xsk s LEU 736 Ca 0.16 -1.13 -0.15 0.00 -2.89 0.00 0.00 54.13 50.12 1xsk s LEU 736 Cb -0.00 -1.12 -0.03 0.00 0.66 0.00 0.00 46.19 45.69 1xsk s LEU 736 CO 0.03 -0.24 0.35 0.00 -1.89 0.00 0.00 176.35 174.60 1xsk s LEU 738 N 2.03 3.97 0.08 0.00 1.43 0.10 -1.83 118.68 124.47 1xsk s LEU 738 Ca 0.14 -1.68 -0.37 0.00 -1.03 0.00 0.00 54.13 51.18 1xsk s LEU 738 Cb -0.16 -2.52 -0.17 0.00 0.03 0.00 0.00 46.19 43.37 1xsk s LEU 738 CO 0.10 -1.36 1.32 -1.14 0.23 0.00 0.00 176.35 175.50 1xsk n ARG 739 N 8.16 1.07 -1.51 1.70 3.00 -1.01 -1.49 116.66 126.58 1xsk n ARG 739 Ca 0.31 0.39 -0.18 0.00 -0.00 0.00 0.00 57.85 58.37 1xsk n ARG 739 Cb 0.50 -2.01 -0.08 0.00 0.00 0.00 0.00 32.46 30.87 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 2.43 -4.89 -4.12 6.15 3.02 0.65 -4.72 115.26 113.78 1xsk n ASN 740 Ca 0.18 0.44 -0.36 0.00 -0.03 0.00 0.00 54.58 54.81 1xsk n ASN 740 Cb 0.19 -4.30 -0.12 0.00 -0.61 0.00 0.00 39.78 34.93 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 -2.49 3.27 -0.07 2.41 1.01 -0.56 -4.98 120.40 118.99 1xsk s VAL 741 Ca 0.00 -2.00 -0.27 0.00 0.00 0.00 0.00 61.98 59.71 1xsk s VAL 741 Cb 0.00 -3.22 -0.23 0.00 0.00 0.00 0.00 36.38 32.93 1xsk s VAL 741 CO 0.00 -0.65 1.06 -0.37 0.00 0.00 0.00 175.10 175.14 1xsk h VAL 742 N 6.37 1.56 -4.03 2.92 -1.51 -1.92 0.41 116.25 120.04 1xsk h VAL 742 Ca -0.13 -1.67 -0.63 0.00 -1.23 0.00 0.00 66.70 63.04 1xsk h VAL 742 Cb 1.05 2.69 -0.31 0.00 -2.13 0.00 0.00 31.29 32.59 1xsk h VAL 742 CO 0.69 0.44 -0.86 -0.75 -1.23 0.00 0.00 177.57 175.85 1xsk s LYS 743 N -3.38 2.10 0.22 5.19 2.20 -1.26 -4.55 119.74 120.25 1xsk s LYS 743 Ca -0.17 -0.76 0.08 0.00 -0.36 0.00 0.00 55.97 54.76 1xsk s LYS 743 Cb -0.00 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.45 1xsk s LYS 743 CO 0.69 0.34 0.07 0.54 -0.36 0.00 0.00 175.35 176.62 1xsk s VAL 744 N -0.13 3.95 -0.13 4.02 0.11 -1.26 -4.38 120.40 122.58 1xsk s VAL 744 Ca -0.02 -1.51 -0.24 0.00 -2.93 0.00 0.00 61.98 57.29 1xsk s VAL 744 Cb -0.12 -3.07 -0.21 0.00 -1.53 0.00 0.00 36.38 31.45 1xsk s VAL 744 CO 0.02 -0.25 0.64 -1.13 -3.33 0.00 0.00 175.10 171.05 1xsk h ASN 745 N 2.10 -0.00 -4.21 3.54 -1.24 0.91 -3.45 115.58 113.22 1xsk h ASN 745 Ca -0.47 -0.80 -0.36 0.00 0.71 0.00 0.00 56.30 55.39 1xsk h ASN 745 Cb 1.23 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.18 1xsk h ASN 745 CO 0.60 0.89 -0.32 0.61 -1.29 0.00 0.00 177.43 177.92 1xsk n GLY 746 N 1.60 2.84 3.56 1.57 0.00 -0.82 -4.95 105.19 108.99 1xsk n GLY 746 Ca -0.08 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.15 1xsk n GLY 746 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsk s LEU 747 N 0.00 -0.62 -0.09 0.99 0.20 -1.26 -2.56 118.68 115.34 1xsk s LEU 747 Ca 0.31 0.93 0.00 0.00 0.69 0.00 0.00 54.13 56.06 1xsk s LEU 747 Cb 0.01 1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 47.55 1xsk s LEU 747 CO 0.22 -0.14 -0.07 -1.10 -0.29 0.00 0.00 176.35 174.97 1xsk s GLN 748 N 1.91 2.95 -1.34 1.98 -1.52 0.28 -4.68 119.66 119.25 1xsk s GLN 748 Ca -0.06 -0.57 -0.04 0.00 -1.95 0.00 0.00 55.36 52.74 1xsk s GLN 748 Cb -0.05 -2.64 0.02 0.00 -0.22 0.00 0.00 33.01 30.12 1xsk s GLN 748 CO -0.17 0.55 0.84 -0.25 -0.25 0.00 0.00 175.29 176.01 1xsk n ASP 749 N 2.58 -2.44 -3.65 5.90 9.92 -1.26 -2.32 116.55 125.28 1xsk n ASP 749 Ca -0.18 -0.76 -0.02 0.00 -0.53 0.00 0.00 54.79 53.30 1xsk n ASP 749 Cb 0.53 -4.26 -0.06 0.00 -0.64 0.00 0.00 41.12 36.69 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 -4.07 0.31 0.06 0.44 0.00 -1.26 -1.81 107.32 100.99 1xsk s GLY 750 Ca 0.18 3.37 -0.05 0.00 0.00 0.00 0.00 44.72 48.22 1xsk s GLY 750 CO 0.80 1.66 0.30 -1.35 0.00 0.00 0.00 173.10 174.51 1xsk s SER 751 N -0.34 6.49 0.12 1.64 1.04 -0.29 -4.88 113.70 117.47 1xsk s SER 751 Ca 0.08 0.55 0.08 0.00 0.48 0.00 0.00 55.95 57.15 1xsk s SER 751 Cb -0.04 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1xsk s SER 751 CO -0.14 0.18 -0.15 0.00 0.98 0.00 0.00 173.24 174.11 1xsk s GLN 752 N -2.12 1.92 0.06 4.02 -2.07 -1.26 -0.51 119.66 119.70 1xsk s GLN 752 Ca 0.33 -1.14 -0.03 0.00 -1.82 0.00 0.00 55.36 52.70 1xsk s GLN 752 Cb -0.13 -2.18 -0.03 0.00 -1.09 0.00 0.00 33.01 29.58 1xsk s GLN 752 CO 0.20 0.48 0.03 0.00 -1.32 0.00 0.00 175.29 174.69 1xsk s ALA 753 N -1.22 0.30 0.70 2.60 0.00 0.86 -4.99 121.76 120.01 1xsk s ALA 753 Ca 0.20 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 1xsk s ALA 753 Cb -0.11 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.39 1xsk s ALA 753 CO 0.12 -0.40 1.03 -1.21 0.00 0.00 0.00 175.76 175.30 1xsk s GLU 754 N -3.81 2.31 -0.02 0.00 2.02 -1.26 0.04 118.70 117.98 1xsk s GLU 754 Ca 0.06 -0.12 -0.29 0.00 0.02 0.00 0.00 54.97 54.64 1xsk s GLU 754 Cb 0.07 -2.14 0.10 0.00 0.10 0.00 0.00 34.13 32.25 1xsk s GLU 754 CO -0.10 -1.20 0.86 0.45 0.02 0.00 0.00 175.26 175.29 1xsk s SER 755 N -4.49 -0.41 0.45 -0.19 0.15 -1.22 -4.62 113.70 103.38 1xsk s SER 755 Ca 0.59 0.12 0.25 0.00 0.70 0.00 0.00 55.95 57.62 1xsk s SER 755 Cb -0.11 0.40 0.71 0.00 -1.71 0.00 0.00 66.02 65.32 1xsk s SER 755 CO 0.46 -0.61 1.74 -0.33 1.20 0.00 0.00 173.24 175.70 1xsk h GLU 756 N 2.17 0.00 0.00 5.44 5.08 -2.00 -2.99 114.58 122.28 1xsk h GLU 756 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1xsk h GLU 756 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1xsk h GLU 756 CO 0.32 0.11 -0.94 1.04 -1.00 0.00 0.00 179.01 178.54 1xsk n GLN 757 N -3.17 0.26 0.00 2.33 6.02 -1.26 -4.96 117.38 116.60 1xsk n GLN 757 Ca 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1xsk n GLN 757 Cb 0.47 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.14 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 1.38 3.19 3.66 1.08 0.00 -1.13 -0.26 105.19 113.11 1xsk n GLY 758 Ca 0.02 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 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 3.02 -4.40 0.99 7.94 0.13 -3.41 117.00 121.27 1xsk n LEU 759 Ca 0.00 1.20 -0.33 0.00 -1.11 0.00 0.00 56.01 55.77 1xsk n LEU 759 Cb 0.00 -1.42 -0.14 0.00 0.53 0.00 0.00 43.42 42.38 1xsk n LEU 759 CO 0.00 -0.78 -0.46 -0.69 -1.11 0.00 0.00 177.39 174.35 1xsk s VAL 760 N -1.09 2.94 -0.05 1.96 1.01 0.11 0.03 120.40 125.31 1xsk s VAL 760 Ca 0.57 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1xsk s VAL 760 Cb -0.61 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1xsk s VAL 760 CO 0.61 0.55 -0.24 -0.69 0.00 0.00 0.00 175.10 175.33 1xsk s VAL 761 N -0.09 2.13 -0.21 2.92 1.01 0.51 -0.10 120.40 126.58 1xsk s VAL 761 Ca -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1xsk s VAL 761 Cb -0.14 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1xsk s VAL 761 CO 0.04 0.57 -0.11 -0.75 0.00 0.00 0.00 175.10 174.85 1xsk s LYS 762 N -0.31 3.10 0.87 2.72 2.47 0.34 -0.76 119.74 128.17 1xsk s LYS 762 Ca 0.01 -0.79 -0.11 0.00 -1.56 0.00 0.00 55.97 53.52 1xsk s LYS 762 Cb -0.13 -2.83 0.12 0.00 -1.46 0.00 0.00 37.83 33.53 1xsk s LYS 762 CO 0.02 -0.25 1.09 -1.25 0.16 0.00 0.00 175.35 175.13 1xsk s PRO 763 N 1.37 1.44 0.00 4.03 0.04 -1.26 -1.14 135.00 139.48 1xsk s PRO 763 Ca 0.04 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1xsk s PRO 763 Cb -0.14 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1xsk s PRO 763 CO -0.07 -2.13 0.00 0.00 0.04 0.00 0.00 177.00 174.83 1xsk n GLN 764 N -3.82 0.00 -0.38 4.56 10.64 -0.75 -4.84 117.38 122.79 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 0.55 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.93 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 0.72 1.49 2.61 0.00 -1.26 -4.12 105.19 104.63 1xsk n GLY 765 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xsk n GLY 765 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xsk n ASN 766 N 0.00 -3.44 0.00 1.61 2.85 -1.26 -4.87 115.26 110.15 1xsk n ASN 766 Ca 0.00 0.48 0.00 0.00 -0.11 0.00 0.00 54.58 54.95 1xsk n ASN 766 Cb 0.00 -0.77 0.00 0.00 1.24 0.00 0.00 39.78 40.25 1xsk n ASN 766 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xsk n ALA 767 N 1.77 0.00 -1.57 5.20 0.00 -1.26 -5.11 120.51 119.54 1xsk n ALA 767 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 1xsk n ALA 767 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 1.31 -3.68 0.00 -0.00 -1.24 -4.63 117.00 108.76 1xsk n LEU 768 Ca 0.00 1.14 -0.09 0.00 -0.00 0.00 0.00 56.01 57.06 1xsk n LEU 768 Cb 0.00 -1.19 -0.10 0.00 -0.00 0.00 0.00 43.42 42.14 1xsk n LEU 768 CO 0.00 -1.41 0.10 -0.89 -0.00 0.00 0.00 177.39 175.19 1xsk s THR 769 N -0.22 -0.22 0.04 1.96 2.01 -0.98 -1.77 115.64 116.46 1xsk s THR 769 Ca 0.74 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.90 1xsk s THR 769 Cb -0.88 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1xsk s THR 769 CO 0.53 0.04 -0.19 0.27 -0.69 0.00 0.00 174.62 174.58 1xsk s ILE 770 N 1.81 1.51 -0.19 1.82 -5.25 -0.79 0.10 121.20 120.21 1xsk s ILE 770 Ca -0.07 -1.16 -0.00 0.00 -0.99 0.00 0.00 60.65 58.43 1xsk s ILE 770 Cb -0.09 -1.33 0.01 0.00 2.95 0.00 0.00 42.46 44.01 1xsk s ILE 770 CO -0.14 0.14 -0.16 -0.89 -1.79 0.00 0.00 174.94 172.10 1xsk s THR 771 N -0.83 2.40 0.88 8.37 2.01 -1.06 -1.38 115.64 126.04 1xsk s THR 771 Ca 0.06 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 1xsk s THR 771 Cb -0.09 -2.05 0.12 0.00 0.01 0.00 0.00 72.50 70.49 1xsk s THR 771 CO 0.02 0.48 1.10 -0.76 -0.69 0.00 0.00 174.62 174.77 1xsk s LEU 772 N 1.33 2.27 0.00 4.42 2.01 -0.57 0.13 118.68 128.27 1xsk s LEU 772 Ca 0.05 1.40 0.32 0.00 0.01 0.00 0.00 54.13 55.90 1xsk s LEU 772 Cb -0.14 -3.84 1.89 0.00 0.01 0.00 0.00 46.19 44.11 1xsk s LEU 772 CO -0.10 -2.52 2.21 0.00 1.01 0.00 0.00 176.35 176.95