#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsk s LYS 2 N 0.00 4.24 -0.15 2.12 -0.14 -1.26 -4.89 119.74 119.67 1xsk s LYS 2 Ca 0.00 1.64 -0.10 0.00 -1.36 0.00 0.00 55.97 56.15 1xsk s LYS 2 Cb 0.00 -3.74 -0.06 0.00 -1.68 0.00 0.00 37.83 32.35 1xsk s LYS 2 CO 0.00 -0.68 -0.24 -0.89 -0.76 0.00 0.00 175.35 172.79 1xsk n ILE 3 N 5.30 1.17 -2.37 2.17 5.41 -1.26 -4.84 119.36 124.95 1xsk n ILE 3 Ca 0.13 -0.06 -0.29 0.00 1.00 0.00 0.00 62.75 63.53 1xsk n ILE 3 Cb 0.45 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 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 -6.37 6.27 -0.64 4.38 1.04 -1.26 -0.88 113.70 116.23 1xsk s SER 4 Ca -0.23 1.12 0.06 0.00 0.48 0.00 0.00 55.95 57.38 1xsk s SER 4 Cb 0.07 -2.33 0.22 0.00 0.10 0.00 0.00 66.02 64.08 1xsk s SER 4 CO 0.31 -0.67 0.65 -0.67 0.98 0.00 0.00 173.24 173.83 1xsk n ASP 5 N -2.38 3.25 0.00 7.02 2.03 0.13 -4.43 116.55 122.17 1xsk n ASP 5 Ca 0.03 -3.31 0.00 0.00 0.52 0.00 0.00 54.79 52.03 1xsk n ASP 5 Cb 0.55 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1xsk n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsk n GLY 6 N 1.27 -2.56 0.22 0.27 0.00 -1.26 -2.96 105.19 100.17 1xsk n GLY 6 Ca 0.26 -1.62 -0.08 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 0.65 1.10 1.61 -1.24 -1.96 -3.30 115.58 112.44 1xsk h ASN 7 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.86 1xsk h ASN 7 Cb 0.00 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.88 1xsk h ASN 7 CO 0.00 0.62 -0.25 0.79 -1.29 0.00 0.00 177.43 177.30 1xsk n TRP 8 N -4.60 0.55 -4.47 0.67 7.02 -1.26 -4.99 117.44 110.37 1xsk n TRP 8 Ca 0.02 0.16 -0.23 0.00 -1.02 0.00 0.00 57.50 56.42 1xsk n TRP 8 Cb 0.13 -0.70 -0.09 0.00 -2.42 0.00 0.00 31.31 28.23 1xsk n TRP 8 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1xsk s LEU 9 N -4.00 1.98 0.15 -0.99 1.43 -1.15 -5.02 118.68 111.07 1xsk s LEU 9 Ca 0.10 -1.58 0.11 0.00 -1.03 0.00 0.00 54.13 51.72 1xsk s LEU 9 Cb 0.14 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.20 1xsk s LEU 9 CO 0.63 -0.85 -0.26 -0.63 0.23 0.00 0.00 176.35 175.48 1xsk s ILE 10 N -3.30 2.26 0.33 -0.59 1.01 -1.26 0.20 121.20 119.85 1xsk s ILE 10 Ca 0.29 -1.85 -0.29 0.00 0.00 0.00 0.00 60.65 58.80 1xsk s ILE 10 Cb 0.04 -2.02 -0.11 0.00 0.01 0.00 0.00 42.46 40.38 1xsk s ILE 10 CO 0.15 0.01 1.54 0.00 0.00 0.00 0.00 174.94 176.64 1xsk n GLN 11 N 0.69 2.67 -1.64 2.79 1.13 -0.06 -4.52 117.38 118.44 1xsk n GLN 11 Ca -0.16 0.94 -0.44 0.00 -1.94 0.00 0.00 57.00 55.40 1xsk n GLN 11 Cb 0.54 -2.70 -0.02 0.00 0.11 0.00 0.00 30.24 28.18 1xsk n GLN 11 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1xsk n PRO 12 N 1.42 1.73 -0.71 -1.09 -0.02 -1.26 -2.11 135.00 132.96 1xsk n PRO 12 Ca 0.06 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1xsk n PRO 12 Cb 0.37 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.24 1.33 3.74 -1.23 0.00 -1.26 -4.88 105.19 104.12 1xsk n GLY 13 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 4.15 -0.21 0.99 1.43 -0.90 0.33 118.68 124.47 1xsk s LEU 14 Ca 0.00 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1xsk s LEU 14 Cb 0.00 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1xsk s LEU 14 CO 0.00 0.24 -0.07 0.20 0.23 0.00 0.00 176.35 176.95 1xsk s ASN 15 N -0.01 4.12 -0.04 2.29 0.01 -0.77 -4.88 114.94 115.66 1xsk s ASN 15 Ca 0.09 -0.42 0.02 0.00 -0.71 0.00 0.00 52.86 51.84 1xsk s ASN 15 Cb -0.11 -1.69 -0.03 0.00 0.41 0.00 0.00 41.25 39.82 1xsk s ASN 15 CO -0.00 0.00 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.74 1xsk s LEU 16 N 1.34 3.05 -0.01 0.60 1.43 -1.26 -1.51 118.68 122.31 1xsk s LEU 16 Ca 0.04 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1xsk s LEU 16 Cb -0.14 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.40 1xsk s LEU 16 CO -0.04 0.34 -0.04 0.27 0.23 0.00 0.00 176.35 177.11 1xsk s ILE 17 N -0.84 0.34 0.13 -0.59 -4.36 -0.98 -5.02 121.20 109.89 1xsk s ILE 17 Ca 0.13 -0.13 0.06 0.00 -0.26 0.00 0.00 60.65 60.45 1xsk s ILE 17 Cb -0.11 -0.33 -0.04 0.00 1.25 0.00 0.00 42.46 43.23 1xsk s ILE 17 CO 0.03 0.12 -0.14 -1.00 0.24 0.00 0.00 174.94 174.19 1xsk s HIS 18 N 0.23 1.44 -0.38 1.37 3.76 -1.26 -0.66 115.29 119.79 1xsk s HIS 18 Ca -0.02 -0.56 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 1xsk s HIS 18 Cb -0.06 -0.75 0.02 0.00 1.11 0.00 0.00 32.58 32.91 1xsk s HIS 18 CO -0.00 0.17 1.17 -1.25 -0.85 0.00 0.00 174.74 173.98 1xsk s PRO 19 N -2.78 3.86 0.00 8.40 0.04 -1.26 -3.70 135.00 139.56 1xsk s PRO 19 Ca 0.10 0.90 0.10 0.00 0.04 0.00 0.00 61.00 62.14 1xsk s PRO 19 Cb -0.04 -3.86 -0.10 0.00 0.04 0.00 0.00 34.50 30.54 1xsk s PRO 19 CO 0.03 -1.19 0.42 1.28 0.04 0.00 0.00 177.00 177.58 1xsk n LEU 20 N 7.57 0.47 -3.65 -3.56 4.77 0.14 -4.60 117.00 118.14 1xsk n LEU 20 Ca 0.13 -0.50 -0.09 0.00 -0.03 0.00 0.00 56.01 55.51 1xsk n LEU 20 Cb 0.48 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1xsk n LEU 20 CO 0.66 0.12 0.31 -1.58 -1.33 0.00 0.00 177.39 175.56 1xsk s GLN 21 N -1.91 0.68 0.28 3.23 0.74 -1.02 -4.11 119.66 117.55 1xsk s GLN 21 Ca 0.04 1.10 -0.29 0.00 0.05 0.00 0.00 55.36 56.25 1xsk s GLN 21 Cb 0.07 0.17 -0.10 0.00 1.10 0.00 0.00 33.01 34.26 1xsk s GLN 21 CO 0.40 -0.14 1.23 0.08 -0.55 0.00 0.00 175.29 176.31 1xsk s VAL 22 N 1.31 3.12 -0.12 1.34 1.01 -1.26 -1.17 120.40 124.62 1xsk s VAL 22 Ca -0.08 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.02 1xsk s VAL 22 Cb -0.05 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 1xsk s VAL 22 CO -0.14 0.23 -0.06 0.33 0.00 0.00 0.00 175.10 175.46 1xsk n PHE 23 N 1.36 0.00 -3.58 5.22 7.35 0.74 -4.78 117.46 123.76 1xsk n PHE 23 Ca 0.01 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.57 1xsk n PHE 23 Cb 0.43 -0.51 -0.06 0.00 0.35 0.00 0.00 39.48 39.69 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 -2.26 0.75 0.03 -4.13 2.12 -1.14 -5.01 118.70 109.05 1xsk s GLU 24 Ca -0.13 0.37 0.08 0.00 0.36 0.00 0.00 54.97 55.64 1xsk s GLU 24 Cb 0.04 0.36 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 1xsk s GLU 24 CO 0.35 -0.20 -0.23 0.08 -0.54 0.00 0.00 175.26 174.73 1xsk s VAL 25 N -0.70 1.82 0.02 3.70 1.01 -1.26 -0.97 120.40 124.01 1xsk s VAL 25 Ca -0.03 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 60.71 1xsk s VAL 25 Cb -0.02 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1xsk s VAL 25 CO 0.03 0.31 0.04 -0.70 0.00 0.00 0.00 175.10 174.78 1xsk s GLU 26 N -1.06 0.42 -0.13 2.72 2.12 0.22 -5.00 118.70 117.99 1xsk s GLU 26 Ca 0.09 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.83 1xsk s GLU 26 Cb -0.09 0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 1xsk s GLU 26 CO 0.01 -0.09 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.35 1xsk s GLN 27 N -1.75 3.27 -0.39 4.30 0.74 -1.26 -0.63 119.66 123.94 1xsk s GLN 27 Ca -0.13 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 54.56 1xsk s GLN 27 Cb -0.07 -2.58 0.12 0.00 1.10 0.00 0.00 33.01 31.58 1xsk s GLN 27 CO -0.01 0.14 0.16 -0.65 -0.55 0.00 0.00 175.29 174.38 1xsk s GLN 28 N 0.52 1.27 7.73 1.67 -0.21 -0.24 -5.00 119.66 125.41 1xsk s GLN 28 Ca -0.10 -1.81 0.00 0.00 0.02 0.00 0.00 55.36 53.46 1xsk s GLN 28 Cb -0.16 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.27 1xsk s GLN 28 CO 0.04 -1.06 0.00 -0.25 -2.12 0.00 0.00 175.29 171.90 1xsk n ASP 29 N 3.99 0.00 -1.79 5.90 8.00 -1.26 -2.02 116.55 129.37 1xsk n ASP 29 Ca 0.04 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.39 1xsk n ASP 29 Cb 0.38 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.59 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 6.06 3.54 -4.13 -2.24 6.94 -1.26 -4.88 115.26 119.28 1xsk n ASN 30 Ca 0.00 -3.03 -0.17 0.00 -0.02 0.00 0.00 54.58 51.36 1xsk n ASN 30 Cb 0.00 -0.72 -0.12 0.00 -2.36 0.00 0.00 39.78 36.58 1xsk n ASN 30 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1xsk s GLU 31 N -2.10 0.75 -0.20 -3.83 2.02 -0.86 -4.69 118.70 109.80 1xsk s GLU 31 Ca 0.36 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 1xsk s GLU 31 Cb 0.31 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.83 1xsk s GLU 31 CO 0.07 0.16 -0.10 1.41 0.02 0.00 0.00 175.26 176.81 1xsk s MET 32 N -1.49 3.24 -0.21 1.61 -2.45 -0.65 -1.08 119.30 118.28 1xsk s MET 32 Ca -0.03 -0.70 -0.06 0.00 -1.25 0.00 0.00 55.69 53.65 1xsk s MET 32 Cb -0.09 -2.83 -0.03 0.00 1.25 0.00 0.00 34.83 33.13 1xsk s MET 32 CO 0.01 -0.17 0.03 0.08 1.05 0.00 0.00 175.02 176.03 1xsk s VAL 33 N 1.34 4.26 -0.19 10.11 1.01 0.19 -0.67 120.40 136.46 1xsk s VAL 33 Ca 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1xsk s VAL 33 Cb -0.14 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1xsk s VAL 33 CO -0.06 0.41 -0.09 -0.69 0.00 0.00 0.00 175.10 174.67 1xsk s VAL 34 N 1.00 3.09 -0.32 2.92 1.01 0.18 -0.61 120.40 127.68 1xsk s VAL 34 Ca 0.03 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1xsk s VAL 34 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1xsk s VAL 34 CO 0.02 0.47 0.26 -0.31 0.00 0.00 0.00 175.10 175.55 1xsk s TYR 35 N 1.11 3.22 -0.04 5.22 2.02 -0.14 -0.31 117.35 128.43 1xsk s TYR 35 Ca 0.01 -0.01 0.05 0.00 -0.37 0.00 0.00 57.07 56.75 1xsk s TYR 35 Cb -0.15 -2.49 -0.02 0.00 -0.40 0.00 0.00 41.96 38.90 1xsk s TYR 35 CO -0.02 -0.30 -0.19 0.00 -1.57 0.00 0.00 175.55 173.47 1xsk s ALA 36 N 1.83 2.48 0.17 3.71 0.00 -0.29 -0.19 121.76 129.47 1xsk s ALA 36 Ca 0.08 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1xsk s ALA 36 Cb -0.17 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1xsk s ALA 36 CO 0.11 0.55 0.25 0.00 0.00 0.00 0.00 175.76 176.66 1xsk s ALA 37 N -0.69 3.83 -2.15 0.00 0.00 -0.32 -0.79 121.76 121.65 1xsk s ALA 37 Ca 0.11 -1.13 0.22 0.00 0.00 0.00 0.00 51.96 51.16 1xsk s ALA 37 Cb -0.10 -1.63 1.10 0.00 0.00 0.00 0.00 23.12 22.48 1xsk s ALA 37 CO -0.00 0.48 1.73 -2.30 0.00 0.00 0.00 175.76 175.67 1xsk n PRO 38 N -0.63 1.31 -3.82 0.00 -0.02 -1.24 0.26 135.00 130.86 1xsk n PRO 38 Ca -0.08 -0.47 -0.09 0.00 -2.02 0.00 0.00 63.50 60.84 1xsk n PRO 38 Cb 0.55 -1.37 0.03 0.00 -0.02 0.00 0.00 33.50 32.68 1xsk n PRO 38 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xsk n ARG 39 N -0.35 1.12 -2.29 -0.52 1.85 -1.26 -4.66 116.66 110.55 1xsk n ARG 39 Ca 0.17 -2.30 -0.43 0.00 -1.00 0.00 0.00 57.85 54.29 1xsk n ARG 39 Cb 0.19 2.81 -0.02 0.00 -1.05 0.00 0.00 32.46 34.38 1xsk n ARG 39 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1xsk s ASP 40 N -3.10 6.65 -0.22 2.89 2.15 -1.26 -4.63 116.67 119.15 1xsk s ASP 40 Ca 0.17 1.55 0.11 0.00 0.43 0.00 0.00 52.55 54.81 1xsk s ASP 40 Cb -0.05 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.47 1xsk s ASP 40 CO 0.13 -1.04 1.20 1.33 -0.17 0.00 0.00 175.17 176.62 1xsk n VAL 41 N 5.99 2.12 -0.03 1.11 0.24 -1.26 -4.74 118.33 121.75 1xsk n VAL 41 Ca 0.16 -3.35 -0.09 0.00 -2.04 0.00 0.00 64.34 59.02 1xsk n VAL 41 Cb 0.45 -0.36 0.07 0.00 -1.47 0.00 0.00 33.84 32.54 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 1.37 0.66 -6.73 7.34 3.08 -1.93 -3.44 114.38 114.73 1xsk h ARG 42 Ca 0.08 -0.34 -0.49 0.00 0.07 0.00 0.00 59.98 59.30 1xsk h ARG 42 Cb 1.22 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 1xsk h ARG 42 CO 0.22 0.95 0.27 -1.21 -1.07 0.00 0.00 179.97 179.13 1xsk s GLU 43 N -4.26 4.56 0.58 0.04 2.02 -1.26 -4.96 118.70 115.41 1xsk s GLU 43 Ca -0.08 1.23 0.36 0.00 0.02 0.00 0.00 54.97 56.50 1xsk s GLU 43 Cb 0.12 -2.99 1.62 0.00 0.10 0.00 0.00 34.13 32.98 1xsk s GLU 43 CO 0.84 0.40 2.08 0.00 0.02 0.00 0.00 175.26 178.60 1xsk h ARG 44 N 3.60 0.00 0.00 1.61 3.08 -1.99 -2.51 114.38 118.18 1xsk h ARG 44 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 1xsk h ARG 44 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1xsk h ARG 44 CO 0.66 0.01 -0.06 0.00 -1.07 0.00 0.00 179.97 179.51 1xsk h THR 45 N 0.00 0.13 -0.47 2.04 1.03 -1.95 -2.81 112.91 110.87 1xsk h THR 45 Ca -0.00 -0.77 0.00 0.00 -0.01 0.00 0.00 66.41 65.63 1xsk h THR 45 Cb 0.39 1.68 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 1xsk h THR 45 CO 0.00 0.06 0.00 0.79 -0.01 0.00 0.00 175.52 176.36 1xsk n TRP 46 N -3.16 0.63 -0.77 0.00 7.02 -0.95 -4.49 117.44 115.72 1xsk n TRP 46 Ca 0.01 -0.43 -0.17 0.00 -1.02 0.00 0.00 57.50 55.89 1xsk n TRP 46 Cb 0.38 -0.01 0.06 0.00 -2.42 0.00 0.00 31.31 29.32 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 1.09 1.85 -3.53 -0.99 6.02 -1.06 -4.78 117.38 115.98 1xsk n GLN 47 Ca 0.17 -1.74 -0.15 0.00 -0.01 0.00 0.00 57.00 55.28 1xsk n GLN 47 Cb 0.52 -1.68 -0.05 0.00 1.02 0.00 0.00 30.24 30.04 1xsk n GLN 47 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1xsk s LEU 48 N -2.00 -0.55 -0.96 1.08 0.05 -1.26 -4.99 118.68 110.05 1xsk s LEU 48 Ca 0.34 0.54 -0.01 0.00 0.05 0.00 0.00 54.13 55.05 1xsk s LEU 48 Cb 0.27 2.31 -0.02 0.00 -2.05 0.00 0.00 46.19 46.70 1xsk s LEU 48 CO 0.01 -0.55 0.81 0.47 -0.55 0.00 0.00 176.35 176.54 1xsk n ASP 49 N 0.71 -3.08 -3.57 1.48 8.00 -1.26 -5.04 116.55 113.79 1xsk n ASP 49 Ca -0.16 -0.54 -0.17 0.00 0.71 0.00 0.00 54.79 54.64 1xsk n ASP 49 Cb 0.58 -4.36 -0.07 0.00 -0.02 0.00 0.00 41.12 37.25 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 -3.31 0.01 0.77 -3.53 -1.32 -1.26 -5.15 115.64 101.84 1xsk s THR 50 Ca 0.10 -0.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.43 1xsk s THR 50 Cb -0.01 -0.95 0.05 0.00 -1.51 0.00 0.00 72.50 70.08 1xsk s THR 50 CO 0.61 -0.02 1.09 -2.84 -2.21 0.00 0.00 174.62 171.24 1xsk s PRO 51 N -0.84 2.33 -0.18 7.08 0.02 -1.26 -5.06 135.00 137.08 1xsk s PRO 51 Ca -0.09 0.69 -0.04 0.00 0.02 0.00 0.00 61.00 61.58 1xsk s PRO 51 Cb -0.02 -1.94 0.09 0.00 0.02 0.00 0.00 34.50 32.65 1xsk s PRO 51 CO 0.07 -1.46 0.27 -1.17 -0.33 0.00 0.00 177.00 174.39 1xsk s LEU 52 N -5.69 -0.30 0.28 -5.54 0.20 -1.26 -4.15 118.68 102.22 1xsk s LEU 52 Ca 0.60 0.22 -0.28 0.00 0.69 0.00 0.00 54.13 55.36 1xsk s LEU 52 Cb -0.14 0.67 -0.09 0.00 -0.43 0.00 0.00 46.19 46.20 1xsk s LEU 52 CO 0.54 -0.28 0.96 -0.36 -0.29 0.00 0.00 176.35 176.92 1xsk s PHE 53 N 2.41 3.82 -0.32 5.38 0.40 0.03 -4.86 117.98 124.85 1xsk s PHE 53 Ca 0.06 1.84 -0.02 0.00 -0.60 0.00 0.00 56.93 58.21 1xsk s PHE 53 Cb -0.14 -2.99 0.06 0.00 0.51 0.00 0.00 43.02 40.46 1xsk s PHE 53 CO -0.11 0.25 0.03 0.99 0.70 0.00 0.00 175.22 177.07 1xsk s THR 54 N -1.36 3.01 -0.16 0.64 2.01 -0.84 -1.13 115.64 117.80 1xsk s THR 54 Ca 0.45 -1.51 -0.08 0.00 0.31 0.00 0.00 61.69 60.87 1xsk s THR 54 Cb -0.24 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1xsk s THR 54 CO 0.30 -0.20 0.12 -0.76 -0.69 0.00 0.00 174.62 173.38 1xsk s LEU 55 N 1.23 4.17 -0.10 4.42 1.02 0.57 -1.79 118.68 128.21 1xsk s LEU 55 Ca -0.03 0.28 0.01 0.00 0.02 0.00 0.00 54.13 54.42 1xsk s LEU 55 Cb -0.20 -2.05 0.02 0.00 0.02 0.00 0.00 46.19 43.98 1xsk s LEU 55 CO -0.02 0.27 -0.13 -0.60 0.02 0.00 0.00 176.35 175.89 1xsk s ARG 56 N -0.17 1.90 -0.12 1.70 3.52 0.43 0.50 118.95 126.71 1xsk s ARG 56 Ca 0.10 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1xsk s ARG 56 Cb -0.12 -1.66 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 1xsk s ARG 56 CO 0.01 -0.08 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.32 1xsk s PHE 57 N 1.03 3.02 0.32 5.12 0.08 0.15 -1.12 117.98 126.58 1xsk s PHE 57 Ca -0.07 -0.13 -0.10 0.00 0.12 0.00 0.00 56.93 56.75 1xsk s PHE 57 Cb -0.15 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.46 1xsk s PHE 57 CO -0.01 0.15 0.56 -0.59 -0.10 0.00 0.00 175.22 175.23 1xsk s PHE 58 N -0.19 0.53 -0.11 0.36 -0.71 -0.79 -1.64 117.98 115.43 1xsk s PHE 58 Ca 0.03 -0.92 -0.04 0.00 -1.04 0.00 0.00 56.93 54.97 1xsk s PHE 58 Cb -0.13 0.27 0.05 0.00 -1.21 0.00 0.00 43.02 42.00 1xsk s PHE 58 CO 0.02 -1.19 0.07 0.45 -1.34 0.00 0.00 175.22 173.23 1xsk s SER 59 N -3.10 1.85 0.21 1.98 0.15 -1.26 0.36 113.70 113.88 1xsk s SER 59 Ca 0.23 -0.32 0.11 0.00 0.70 0.00 0.00 55.95 56.67 1xsk s SER 59 Cb -0.02 -0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1xsk s SER 59 CO 0.14 -0.30 1.40 1.55 1.20 0.00 0.00 173.24 177.22 1xsk h PRO 60 N 8.42 0.00 -3.85 5.44 0.13 -1.81 -3.44 132.00 136.88 1xsk h PRO 60 Ca -0.14 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.90 1xsk h PRO 60 Cb 1.14 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 1xsk h PRO 60 CO 0.23 0.73 -0.39 -0.65 -0.23 0.00 0.00 178.00 177.70 1xsk s GLN 61 N -2.92 0.86 0.02 0.86 -1.52 -1.26 -2.17 119.66 113.52 1xsk s GLN 61 Ca 0.02 -1.00 -0.30 0.00 -1.95 0.00 0.00 55.36 52.12 1xsk s GLN 61 Cb 0.09 0.34 -0.07 0.00 -0.22 0.00 0.00 33.01 33.14 1xsk s GLN 61 CO 0.78 -0.27 1.73 -2.00 -0.25 0.00 0.00 175.29 175.27 1xsk s GLU 62 N -3.88 4.18 0.00 2.91 -6.30 -1.26 -1.50 118.70 112.84 1xsk s GLU 62 Ca 0.07 2.35 0.00 0.00 -2.50 0.00 0.00 54.97 54.88 1xsk s GLU 62 Cb 0.05 -3.87 0.00 0.00 0.00 0.00 0.00 34.13 30.31 1xsk s GLU 62 CO -0.10 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1xsk n GLY 63 N 4.17 0.56 3.22 -1.50 0.00 -1.25 -4.91 105.19 105.48 1xsk n GLY 63 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1xsk n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsk s ILE 64 N -2.28 2.56 -0.29 -0.61 1.01 -0.56 -1.73 121.20 119.29 1xsk s ILE 64 Ca 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 1xsk s ILE 64 Cb 0.00 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.40 1xsk s ILE 64 CO 0.00 0.51 0.03 -0.69 0.00 0.00 0.00 174.94 174.79 1xsk s VAL 65 N 1.07 3.53 0.16 2.92 1.01 -0.36 -4.05 120.40 124.67 1xsk s VAL 65 Ca -0.01 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 1xsk s VAL 65 Cb -0.14 -2.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 1xsk s VAL 65 CO -0.05 0.06 0.75 -0.83 0.00 0.00 0.00 175.10 175.03 1xsk s GLY 66 N 1.41 2.86 -0.11 4.51 0.00 0.16 -1.55 107.32 114.60 1xsk s GLY 66 Ca 0.01 0.30 -0.00 0.00 0.00 0.00 0.00 44.72 45.02 1xsk s GLY 66 CO 0.00 0.78 -0.08 0.14 0.00 0.00 0.00 173.10 173.95 1xsk s VAL 67 N -1.18 1.03 -0.22 1.40 1.01 0.11 -1.89 120.40 120.67 1xsk s VAL 67 Ca 0.36 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1xsk s VAL 67 Cb -0.22 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.16 1xsk s VAL 67 CO 0.25 0.37 -0.10 -0.60 0.00 0.00 0.00 175.10 175.02 1xsk s ARG 68 N 1.67 2.04 -0.20 2.72 3.52 -0.28 -1.09 118.95 127.33 1xsk s ARG 68 Ca 0.04 -1.00 -0.02 0.00 -0.13 0.00 0.00 55.73 54.62 1xsk s ARG 68 Cb -0.13 -2.58 -0.00 0.00 -1.56 0.00 0.00 34.95 30.67 1xsk s ARG 68 CO -0.08 -0.49 -0.08 -1.50 -0.81 0.00 0.00 175.30 172.34 1xsk s ILE 69 N 1.32 3.11 0.09 4.11 2.07 0.02 -0.43 121.20 131.48 1xsk s ILE 69 Ca -0.04 -0.59 0.05 0.00 -1.41 0.00 0.00 60.65 58.66 1xsk s ILE 69 Cb -0.18 -2.38 -0.03 0.00 0.13 0.00 0.00 42.46 40.00 1xsk s ILE 69 CO -0.07 0.46 -0.14 -1.83 -1.91 0.00 0.00 174.94 171.44 1xsk s GLU 70 N 1.24 0.90 0.00 3.50 -1.05 -0.74 -1.04 118.70 121.51 1xsk s GLU 70 Ca 0.03 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 1xsk s GLU 70 Cb -0.14 -0.87 0.00 0.00 -0.44 0.00 0.00 34.13 32.67 1xsk s GLU 70 CO -0.03 0.19 0.00 1.58 0.95 0.00 0.00 175.26 177.94 1xsk n HIS 71 N 1.03 0.00 -2.99 4.83 -0.00 0.06 -2.00 115.22 116.16 1xsk n HIS 71 Ca -0.19 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.13 1xsk n HIS 71 Cb 0.55 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.49 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 0.74 3.71 -2.63 1.57 0.08 -1.26 -4.82 117.98 115.39 1xsk s PHE 72 Ca 0.00 1.45 0.24 0.00 0.12 0.00 0.00 56.93 58.73 1xsk s PHE 72 Cb 0.00 -2.82 0.47 0.00 -0.57 0.00 0.00 43.02 40.10 1xsk s PHE 72 CO 0.00 0.25 1.42 1.04 -0.10 0.00 0.00 175.22 177.82 1xsk n GLN 73 N 2.95 2.23 0.16 0.44 6.02 -1.26 -4.28 117.38 123.63 1xsk n GLN 73 Ca -0.02 -1.83 0.13 0.00 -0.01 0.00 0.00 57.00 55.26 1xsk n GLN 73 Cb 0.50 -1.47 0.36 0.00 1.02 0.00 0.00 30.24 30.65 1xsk n GLN 73 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1xsk h GLY 74 N 4.71 0.00 -1.62 1.08 0.00 -2.00 -3.47 103.07 101.78 1xsk h GLY 74 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1xsk h GLY 74 CO 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.24 1xsk n ALA 75 N -1.91 -2.12 -0.14 3.60 0.00 -1.26 -4.95 120.51 113.73 1xsk n ALA 75 Ca 0.04 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.70 1xsk n ALA 75 Cb 0.43 -1.93 -0.01 0.00 0.00 0.00 0.00 19.45 17.94 1xsk n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xsk h LEU 76 N -1.79 0.69 -3.70 0.00 3.38 -1.98 -3.48 115.31 108.42 1xsk h LEU 76 Ca -0.45 -0.29 -0.47 0.00 0.09 0.00 0.00 57.88 56.76 1xsk h LEU 76 Cb 1.29 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1xsk h LEU 76 CO 0.38 0.81 -1.07 0.59 0.09 0.00 0.00 178.44 179.24 1xsk n ASN 77 N -4.46 -4.96 -4.93 -0.43 5.03 -1.26 -4.96 115.26 99.29 1xsk n ASN 77 Ca -0.01 -0.91 -0.26 0.00 0.87 0.00 0.00 54.58 54.28 1xsk n ASN 77 Cb 0.27 -1.78 0.01 0.00 -1.02 0.00 0.00 39.78 37.26 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 -2.93 5.98 1.01 6.41 0.01 -1.26 -5.10 114.94 119.05 1xsk s ASN 78 Ca 0.02 0.64 -0.01 0.00 -0.71 0.00 0.00 52.86 52.80 1xsk s ASN 78 Cb -0.00 -1.89 0.01 0.00 0.41 0.00 0.00 41.25 39.78 1xsk s ASN 78 CO 0.89 -0.70 0.06 0.61 -1.51 0.00 0.00 177.10 176.45 1xsk n GLY 79 N -2.24 -2.00 3.83 0.66 0.00 -1.26 -4.64 105.19 99.54 1xsk n GLY 79 Ca 0.01 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.14 2.45 0.06 1.61 0.04 -1.26 -0.84 135.00 133.92 1xsk s PRO 80 Ca 0.04 0.64 0.07 0.00 0.04 0.00 0.00 61.00 61.79 1xsk s PRO 80 Cb -0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1xsk s PRO 80 CO 0.03 -1.37 -0.19 -1.01 0.04 0.00 0.00 177.00 174.50 1xsk s HIS 81 N -3.19 1.64 0.67 0.56 3.76 -1.26 -4.83 115.29 112.64 1xsk s HIS 81 Ca 0.60 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.95 1xsk s HIS 81 Cb -0.13 -0.95 -0.04 0.00 1.11 0.00 0.00 32.58 32.57 1xsk s HIS 81 CO 0.54 0.11 0.69 0.66 -0.85 0.00 0.00 174.74 175.89 1xsk n TYR 82 N 1.60 -0.20 -1.62 1.40 4.01 -1.26 -4.83 117.16 116.25 1xsk n TYR 82 Ca -0.18 0.39 -0.41 0.00 -0.16 0.00 0.00 57.90 57.54 1xsk n TYR 82 Cb 0.54 -1.99 -0.01 0.00 -0.31 0.00 0.00 39.34 37.56 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 -0.89 3.31 -2.73 -0.72 -0.04 -1.26 -4.96 135.00 127.71 1xsk n PRO 83 Ca 0.12 -2.55 -0.41 0.00 -0.04 0.00 0.00 63.50 60.62 1xsk n PRO 83 Cb 0.49 -3.05 -0.05 0.00 -0.04 0.00 0.00 33.50 30.85 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 1.06 4.54 -0.51 1.53 1.02 -1.26 -4.68 118.68 120.37 1xsk s LEU 84 Ca 0.56 1.84 -0.24 0.00 0.02 0.00 0.00 54.13 56.31 1xsk s LEU 84 Cb 0.15 -3.59 0.04 0.00 0.02 0.00 0.00 46.19 42.81 1xsk s LEU 84 CO -0.07 -0.00 0.88 0.20 0.02 0.00 0.00 176.35 177.38 1xsk s ASN 85 N -0.33 6.37 -0.18 2.29 0.01 0.52 -5.01 114.94 118.60 1xsk s ASN 85 Ca 0.45 -0.28 -0.02 0.00 -0.71 0.00 0.00 52.86 52.30 1xsk s ASN 85 Cb -0.24 -2.42 -0.01 0.00 0.41 0.00 0.00 41.25 38.99 1xsk s ASN 85 CO 0.30 -1.11 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.06 1xsk s ILE 86 N 3.68 3.15 0.06 0.60 1.01 -1.26 -4.77 121.20 123.66 1xsk s ILE 86 Ca 0.30 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1xsk s ILE 86 Cb -0.13 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1xsk s ILE 86 CO 0.20 0.48 0.21 -0.76 0.00 0.00 0.00 174.94 175.07 1xsk s LEU 87 N 0.97 4.35 0.00 2.97 1.43 -0.92 -5.01 118.68 122.47 1xsk s LEU 87 Ca -0.01 0.27 0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1xsk s LEU 87 Cb -0.15 -2.93 -0.08 0.00 0.03 0.00 0.00 46.19 43.06 1xsk s LEU 87 CO -0.01 0.18 0.53 0.00 0.23 0.00 0.00 176.35 177.28 1xsk n GLN 88 N 0.33 3.00 -2.00 1.70 1.13 -1.26 -4.60 117.38 115.68 1xsk n GLN 88 Ca -0.05 -0.22 -0.28 0.00 -1.94 0.00 0.00 57.00 54.51 1xsk n GLN 88 Cb 0.51 -1.04 0.03 0.00 0.11 0.00 0.00 30.24 29.85 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 -0.91 5.56 -4.73 1.08 5.75 -1.26 -4.97 116.55 117.07 1xsk n ASP 89 Ca 0.03 -3.76 -0.40 0.00 -0.01 0.00 0.00 54.79 50.65 1xsk n ASP 89 Cb 0.19 -0.54 -0.05 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 -4.90 4.87 -0.07 2.12 1.01 -1.26 -5.00 120.40 117.16 1xsk s VAL 90 Ca 0.53 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.81 1xsk s VAL 90 Cb 0.43 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1xsk s VAL 90 CO -0.06 0.30 1.49 -0.75 0.00 0.00 0.00 175.10 176.08 1xsk s LYS 91 N 0.37 4.22 0.10 2.72 2.20 -1.26 -4.99 119.74 123.10 1xsk s LYS 91 Ca 0.39 2.00 -0.02 0.00 -0.36 0.00 0.00 55.97 57.98 1xsk s LYS 91 Cb -0.19 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 1xsk s LYS 91 CO 0.22 -0.74 0.04 0.14 -0.36 0.00 0.00 175.35 174.64 1xsk s VAL 92 N 3.48 0.15 -0.06 4.02 -7.23 -1.26 -4.47 120.40 115.02 1xsk s VAL 92 Ca 0.66 -1.79 0.05 0.00 -1.81 0.00 0.00 61.98 59.10 1xsk s VAL 92 Cb -0.30 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 1xsk s VAL 92 CO 0.25 -0.69 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.23 1xsk s THR 93 N -3.98 1.88 -0.16 5.32 2.01 -0.47 -4.98 115.64 115.27 1xsk s THR 93 Ca 0.15 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1xsk s THR 93 Cb 0.07 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 71.00 1xsk s THR 93 CO -0.04 0.52 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.61 1xsk s ILE 94 N 0.04 1.81 -0.13 1.82 1.01 -1.26 -1.07 121.20 123.42 1xsk s ILE 94 Ca -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1xsk s ILE 94 Cb -0.14 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 1xsk s ILE 94 CO 0.05 0.50 -0.19 -0.70 0.00 0.00 0.00 174.94 174.60 1xsk s GLU 95 N 1.39 3.16 -0.40 2.79 2.12 -0.20 -4.99 118.70 122.56 1xsk s GLU 95 Ca 0.05 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.60 1xsk s GLU 95 Cb -0.13 -2.48 0.12 0.00 0.26 0.00 0.00 34.13 31.90 1xsk s GLU 95 CO -0.12 0.10 0.17 1.21 -0.54 0.00 0.00 175.26 176.09 1xsk s ASN 96 N 0.56 4.07 0.57 -1.70 2.47 -1.26 0.07 114.94 119.72 1xsk s ASN 96 Ca -0.11 -2.36 0.07 0.00 0.42 0.00 0.00 52.86 50.87 1xsk s ASN 96 Cb -0.16 -1.21 0.07 0.00 -1.45 0.00 0.00 41.25 38.50 1xsk s ASN 96 CO 0.04 -0.32 0.55 0.35 -3.72 0.00 0.00 177.10 174.00 1xsk n THR 97 N 3.92 0.00 -0.09 -5.21 -2.24 0.72 -5.00 114.28 106.38 1xsk n THR 97 Ca 0.04 -2.14 -0.03 0.00 -2.27 0.00 0.00 64.05 59.66 1xsk n THR 97 Cb 0.37 -0.18 0.19 0.00 -2.10 0.00 0.00 70.33 68.61 1xsk n THR 97 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xsk h GLU 98 N 0.00 0.74 0.00 -0.78 4.57 -2.03 -3.27 114.58 113.81 1xsk h GLU 98 Ca -0.33 -0.19 -0.29 0.00 -1.18 0.00 0.00 59.36 57.37 1xsk h GLU 98 Cb 1.29 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.73 1xsk h GLU 98 CO 0.50 0.74 -2.06 -2.13 -1.18 0.00 0.00 179.01 174.89 1xsk n ARG 99 N -4.23 0.66 -4.09 1.92 0.63 -1.26 -4.78 116.66 105.51 1xsk n ARG 99 Ca 0.02 0.09 -0.10 0.00 -0.92 0.00 0.00 57.85 56.94 1xsk n ARG 99 Cb 0.28 -1.63 -0.08 0.00 0.45 0.00 0.00 32.46 31.49 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 -2.66 0.74 -0.03 -0.14 1.51 -1.24 -1.62 117.35 113.92 1xsk s TYR 100 Ca -0.08 -1.04 0.02 0.00 -1.01 0.00 0.00 57.07 54.96 1xsk s TYR 100 Cb 0.08 -0.20 0.01 0.00 -0.11 0.00 0.00 41.96 41.74 1xsk s TYR 100 CO 0.83 -0.79 -0.07 0.00 -1.11 0.00 0.00 175.55 174.41 1xsk s ALA 101 N -4.08 0.77 -0.04 3.71 0.00 -0.79 -0.20 121.76 121.13 1xsk s ALA 101 Ca 0.29 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.99 1xsk s ALA 101 Cb 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1xsk s ALA 101 CO 0.09 0.09 0.09 -2.00 0.00 0.00 0.00 175.76 174.04 1xsk s GLU 102 N 0.38 0.10 -0.10 0.00 2.12 0.11 -1.03 118.70 120.27 1xsk s GLU 102 Ca -0.06 0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.45 1xsk s GLU 102 Cb -0.10 0.02 -0.00 0.00 0.26 0.00 0.00 34.13 34.31 1xsk s GLU 102 CO 0.00 -0.03 -0.21 0.12 -0.54 0.00 0.00 175.26 174.60 1xsk s PHE 103 N 0.18 2.62 -0.02 5.30 5.36 0.13 -1.04 117.98 130.50 1xsk s PHE 103 Ca -0.01 -0.92 0.03 0.00 -0.96 0.00 0.00 56.93 55.06 1xsk s PHE 103 Cb -0.02 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.93 1xsk s PHE 103 CO -0.01 -0.35 -0.10 0.21 -1.46 0.00 0.00 175.22 173.51 1xsk s LYS 104 N 0.30 0.99 -0.04 10.12 2.20 -0.23 0.14 119.74 133.22 1xsk s LYS 104 Ca -0.16 -0.34 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 1xsk s LYS 104 Cb -0.17 -0.93 0.03 0.00 -1.51 0.00 0.00 37.83 35.25 1xsk s LYS 104 CO 0.08 0.15 0.02 0.45 -0.36 0.00 0.00 175.35 175.68 1xsk s SER 105 N 0.09 0.97 1.55 1.43 0.15 0.93 -1.36 113.70 117.46 1xsk s SER 105 Ca -0.02 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1xsk s SER 105 Cb -0.08 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1xsk s SER 105 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1xsk n GLY 106 N 4.77 3.01 1.11 9.45 0.00 -1.26 -1.53 105.19 120.74 1xsk n GLY 106 Ca -0.14 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.73 1xsk n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsk n ASN 107 N 4.05 3.29 -4.60 1.61 5.03 -1.26 -4.90 115.26 118.48 1xsk n ASN 107 Ca 0.00 -1.97 -0.34 0.00 0.87 0.00 0.00 54.58 53.14 1xsk n ASN 107 Cb 0.00 -0.28 -0.11 0.00 -1.02 0.00 0.00 39.78 38.38 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 -1.39 3.45 0.04 3.41 2.96 -0.58 -0.56 118.68 126.00 1xsk s LEU 108 Ca 0.39 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1xsk s LEU 108 Cb 0.22 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1xsk s LEU 108 CO 0.31 0.29 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.68 1xsk s SER 109 N -0.34 0.35 -0.13 3.68 1.04 -0.51 -0.05 113.70 117.75 1xsk s SER 109 Ca 0.06 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 55.72 1xsk s SER 109 Cb -0.12 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 1xsk s SER 109 CO 0.02 -0.48 -0.06 0.00 0.98 0.00 0.00 173.24 173.70 1xsk s ALA 110 N -2.86 2.94 -0.07 5.32 0.00 0.37 -1.17 121.76 126.30 1xsk s ALA 110 Ca -0.03 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 1xsk s ALA 110 Cb 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.73 1xsk s ALA 110 CO -0.06 0.32 -0.04 0.50 0.00 0.00 0.00 175.76 176.48 1xsk s ARG 111 N 0.04 0.97 -0.18 0.00 3.52 1.00 0.17 118.95 124.48 1xsk s ARG 111 Ca -0.01 -0.08 -0.06 0.00 -0.13 0.00 0.00 55.73 55.46 1xsk s ARG 111 Cb -0.14 -1.12 -0.03 0.00 -1.56 0.00 0.00 34.95 32.10 1xsk s ARG 111 CO 0.03 -0.21 0.01 0.08 -0.81 0.00 0.00 175.30 174.40 1xsk s VAL 112 N 1.53 4.30 -0.13 7.11 1.01 -0.20 -0.91 120.40 133.11 1xsk s VAL 112 Ca -0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 1xsk s VAL 112 Cb -0.13 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1xsk s VAL 112 CO -0.04 0.47 0.83 -0.44 0.00 0.00 0.00 175.10 175.91 1xsk s SER 113 N 0.48 7.01 0.84 3.32 0.01 -0.33 -1.89 113.70 123.15 1xsk s SER 113 Ca -0.00 1.24 -0.11 0.00 1.31 0.00 0.00 55.95 58.38 1xsk s SER 113 Cb -0.13 -2.46 0.13 0.00 0.21 0.00 0.00 66.02 63.76 1xsk s SER 113 CO 0.02 -0.33 1.19 -0.54 0.41 0.00 0.00 173.24 173.98 1xsk s LYS 114 N 1.78 1.44 0.83 12.44 1.02 -0.64 -4.15 119.74 132.46 1xsk s LYS 114 Ca 0.40 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1xsk s LYS 114 Cb -0.17 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1xsk s LYS 114 CO 0.15 -1.84 0.00 0.41 -0.92 0.00 0.00 175.35 173.15 1xsk n GLY 115 N -3.37 -1.81 0.29 -3.33 0.00 -1.26 -4.39 105.19 91.32 1xsk n GLY 115 Ca 0.12 -1.66 0.18 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 -3.54 1.61 4.81 -1.93 -3.39 114.58 112.14 1xsk h GLU 116 Ca 0.00 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.55 1xsk h GLU 116 Cb 0.00 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 29.01 1xsk h GLU 116 CO 0.00 0.04 -0.47 -0.06 -0.73 0.00 0.00 179.01 177.79 1xsk s PHE 117 N -3.95 3.34 0.42 0.92 0.08 -1.26 -5.02 117.98 112.50 1xsk s PHE 117 Ca -0.02 -2.89 -0.26 0.00 0.12 0.00 0.00 56.93 53.88 1xsk s PHE 117 Cb 0.11 -3.06 -0.09 0.00 -0.57 0.00 0.00 43.02 39.42 1xsk s PHE 117 CO 0.51 -0.81 1.37 -0.46 -0.10 0.00 0.00 175.22 175.73 1xsk s TRP 118 N -0.12 2.68 -0.28 0.36 -0.11 -1.26 -4.70 118.94 115.51 1xsk s TRP 118 Ca 0.17 1.33 -0.22 0.00 1.22 0.00 0.00 56.10 58.60 1xsk s TRP 118 Cb -0.22 -3.79 0.10 0.00 -1.50 0.00 0.00 33.47 28.05 1xsk s TRP 118 CO -0.02 -2.47 0.85 0.45 -4.62 0.00 0.00 176.95 171.14 1xsk s SER 119 N -0.58 -0.66 -0.19 5.86 0.15 -1.26 -4.15 113.70 112.86 1xsk s SER 119 Ca 0.58 1.19 0.01 0.00 0.70 0.00 0.00 55.95 58.42 1xsk s SER 119 Cb -0.41 1.23 0.02 0.00 -1.71 0.00 0.00 66.02 65.15 1xsk s SER 119 CO 0.53 -0.20 -0.18 -0.22 1.20 0.00 0.00 173.24 174.38 1xsk s LEU 120 N 0.71 2.35 0.01 3.45 0.20 -0.98 -1.18 118.68 123.23 1xsk s LEU 120 Ca -0.02 -0.72 0.05 0.00 0.69 0.00 0.00 54.13 54.13 1xsk s LEU 120 Cb -0.05 -1.51 -0.02 0.00 -0.43 0.00 0.00 46.19 44.19 1xsk s LEU 120 CO -0.08 -0.02 -0.16 -1.81 -0.29 0.00 0.00 176.35 173.99 1xsk s ASP 121 N 1.28 1.84 -0.17 3.68 1.01 -0.09 -0.96 116.67 123.26 1xsk s ASP 121 Ca 0.03 -0.36 -0.04 0.00 0.71 0.00 0.00 52.55 52.89 1xsk s ASP 121 Cb -0.14 -0.17 -0.03 0.00 1.01 0.00 0.00 42.92 43.59 1xsk s ASP 121 CO -0.11 0.14 -0.02 -0.36 0.21 0.00 0.00 175.17 175.03 1xsk s PHE 122 N -0.55 3.05 0.05 4.23 0.08 0.11 -0.00 117.98 124.94 1xsk s PHE 122 Ca 0.05 -0.31 0.07 0.00 0.12 0.00 0.00 56.93 56.86 1xsk s PHE 122 Cb -0.07 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1xsk s PHE 122 CO 0.00 -0.08 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.33 1xsk s LEU 123 N 0.54 2.17 -0.32 -0.37 1.43 -0.31 -1.87 118.68 119.95 1xsk s LEU 123 Ca -0.02 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1xsk s LEU 123 Cb -0.14 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 45.17 1xsk s LEU 123 CO 0.02 0.15 0.04 -0.60 0.23 0.00 0.00 176.35 176.19 1xsk s ARG 124 N -1.21 2.40 -1.24 1.70 3.52 0.31 -1.42 118.95 123.01 1xsk s ARG 124 Ca 0.07 -1.31 -0.12 0.00 -0.13 0.00 0.00 55.73 54.24 1xsk s ARG 124 Cb -0.09 -3.26 -0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1xsk s ARG 124 CO 0.02 -0.67 0.66 0.09 -0.81 0.00 0.00 175.30 174.59 1xsk n ASN 125 N 4.64 -3.27 0.00 -2.12 5.03 0.27 -1.00 115.26 118.81 1xsk n ASN 125 Ca -0.12 -0.99 0.00 0.00 0.87 0.00 0.00 54.58 54.34 1xsk n ASN 125 Cb 0.43 -3.34 0.00 0.00 -1.02 0.00 0.00 39.78 35.85 1xsk n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xsk n GLY 126 N -1.77 1.85 3.73 7.41 0.00 -1.26 -4.99 105.19 110.15 1xsk n GLY 126 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.06 3.85 -0.50 1.61 2.02 -0.17 -5.00 118.70 120.45 1xsk s GLU 127 Ca 0.00 -0.26 -0.28 0.00 0.02 0.00 0.00 54.97 54.45 1xsk s GLU 127 Cb 0.00 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 31.00 1xsk s GLU 127 CO 0.00 0.43 1.40 0.50 0.02 0.00 0.00 175.26 177.61 1xsk s ARG 128 N -0.05 3.43 0.08 1.61 3.52 -1.26 0.11 118.95 126.39 1xsk s ARG 128 Ca 0.08 0.65 0.15 0.00 -0.13 0.00 0.00 55.73 56.48 1xsk s ARG 128 Cb -0.12 -4.07 -0.13 0.00 -1.56 0.00 0.00 34.95 29.07 1xsk s ARG 128 CO 0.00 -1.76 0.93 -0.84 -0.81 0.00 0.00 175.30 172.82 1xsk h ILE 129 N 6.41 0.69 -1.99 4.11 3.07 -1.73 -3.49 117.51 124.59 1xsk h ILE 129 Ca -0.27 -2.24 0.30 0.00 1.55 0.00 0.00 64.86 64.20 1xsk h ILE 129 Cb 1.10 2.21 -0.08 0.00 -0.27 0.00 0.00 36.82 39.78 1xsk h ILE 129 CO 1.14 0.40 0.81 0.28 -1.05 0.00 0.00 178.15 179.72 1xsk s THR 130 N -2.86 0.00 -1.04 0.16 -1.32 -1.23 -4.87 115.64 104.47 1xsk s THR 130 Ca -0.02 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1xsk s THR 130 Cb 0.08 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1xsk s THR 130 CO 0.80 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.82 1xsk n GLY 131 N -0.72 -1.37 3.02 6.08 0.00 -1.26 -0.71 105.19 110.22 1xsk n GLY 131 Ca -0.02 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.00 2.63 0.71 1.61 0.15 -0.14 -0.99 113.70 115.67 1xsk s SER 132 Ca 0.00 -0.47 -0.11 0.00 0.70 0.00 0.00 55.95 56.07 1xsk s SER 132 Cb 0.00 -1.16 0.02 0.00 -1.71 0.00 0.00 66.02 63.17 1xsk s SER 132 CO 0.00 -0.05 1.09 -1.10 1.20 0.00 0.00 173.24 174.38 1xsk s GLN 133 N 1.43 2.79 0.17 5.44 -0.21 -1.26 -2.32 119.66 125.69 1xsk s GLN 133 Ca 0.03 0.40 -0.33 0.00 0.02 0.00 0.00 55.36 55.48 1xsk s GLN 133 Cb -0.13 -2.03 -0.14 0.00 1.00 0.00 0.00 33.01 31.71 1xsk s GLN 133 CO -0.09 -1.06 1.53 1.55 -2.12 0.00 0.00 175.29 175.10 1xsk n VAL 134 N -3.00 0.20 -1.05 1.09 3.14 -1.26 -1.36 118.33 116.08 1xsk n VAL 134 Ca 0.07 -0.05 -0.02 0.00 -2.96 0.00 0.00 64.34 61.38 1xsk n VAL 134 Cb 0.58 -1.49 -0.01 0.00 -1.06 0.00 0.00 33.84 31.86 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 3.08 -0.33 -0.50 1.45 5.02 -1.26 -4.91 118.16 120.71 1xsk n LYS 135 Ca 0.16 0.32 0.08 0.00 -2.02 0.00 0.00 58.31 56.85 1xsk n LYS 135 Cb 0.29 -3.76 0.30 0.00 -0.02 0.00 0.00 35.03 31.83 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 0.47 4.25 -3.77 4.39 3.02 -0.47 -4.94 115.26 118.21 1xsk n ASN 136 Ca -0.02 -2.50 -0.10 0.00 -0.03 0.00 0.00 54.58 51.94 1xsk n ASN 136 Cb 0.11 -0.51 -0.04 0.00 -0.61 0.00 0.00 39.78 38.73 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 0.08 0.00 6.41 2.20 -1.26 -0.77 114.94 120.45 1xsk s ASN 137 Ca 0.44 -1.02 0.00 0.00 -0.94 0.00 0.00 52.86 51.33 1xsk s ASN 137 Cb 0.29 0.63 0.00 0.00 -2.00 0.00 0.00 41.25 40.17 1xsk s ASN 137 CO 0.19 -1.23 0.00 0.61 -2.94 0.00 0.00 177.10 173.73 1xsk n GLY 138 N -0.43 0.88 3.60 0.45 0.00 -0.73 -4.42 105.19 104.54 1xsk n GLY 138 Ca -0.02 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.43 3.01 -0.15 1.61 5.04 0.16 -1.68 117.35 122.92 1xsk s TYR 139 Ca 0.00 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.69 1xsk s TYR 139 Cb 0.00 -1.76 0.01 0.00 0.35 0.00 0.00 41.96 40.56 1xsk s TYR 139 CO 0.00 0.34 -0.19 0.08 -1.34 0.00 0.00 175.55 174.44 1xsk s VAL 140 N -0.72 2.31 -0.40 3.14 1.01 0.37 -2.31 120.40 123.81 1xsk s VAL 140 Ca 0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1xsk s VAL 140 Cb -0.11 -1.95 0.10 0.00 0.00 0.00 0.00 36.38 34.42 1xsk s VAL 140 CO 0.02 0.53 0.20 -1.58 0.00 0.00 0.00 175.10 174.27 1xsk s GLN 141 N 0.85 2.15 -0.59 2.72 0.74 -0.57 0.37 119.66 125.34 1xsk s GLN 141 Ca -0.06 -1.72 -0.28 0.00 0.05 0.00 0.00 55.36 53.35 1xsk s GLN 141 Cb -0.15 -3.60 0.03 0.00 1.10 0.00 0.00 33.01 30.39 1xsk s GLN 141 CO -0.02 -1.03 1.21 0.34 -0.55 0.00 0.00 175.29 175.25 1xsk s ASP 142 N 1.88 6.41 0.40 6.67 -1.08 0.82 -1.84 116.67 129.93 1xsk s ASP 142 Ca 0.06 0.10 0.28 0.00 -0.52 0.00 0.00 52.55 52.47 1xsk s ASP 142 Cb -0.23 -2.55 1.09 0.00 -1.46 0.00 0.00 42.92 39.77 1xsk s ASP 142 CO -0.03 -1.51 1.83 0.74 0.52 0.00 0.00 175.17 176.72 1xsk h THR 143 N 6.17 0.00 0.00 1.71 2.02 -0.41 -1.04 112.91 121.35 1xsk h THR 143 Ca -0.25 -0.43 -0.22 0.00 0.77 0.00 0.00 66.41 66.28 1xsk h THR 143 Cb 1.06 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 1xsk h THR 143 CO 1.19 0.00 -1.13 0.78 0.37 0.00 0.00 175.52 176.73 1xsk h ASN 144 N 0.00 0.00 0.00 4.18 2.35 -1.90 -3.38 115.58 116.82 1xsk h ASN 144 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xsk h ASN 144 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1xsk h ASN 144 CO 0.00 0.94 -0.08 -0.46 -1.65 0.00 0.00 177.43 176.18 1xsk n ASN 145 N -3.25 0.90 -1.82 5.81 0.23 -1.20 -5.00 115.26 110.92 1xsk n ASN 145 Ca -0.04 -1.73 -0.19 0.00 -0.53 0.00 0.00 54.58 52.08 1xsk n ASN 145 Cb 0.94 -0.09 -0.06 0.00 -2.08 0.00 0.00 39.78 38.50 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 -0.33 -1.53 -3.97 -3.83 1.13 -0.40 -4.98 117.38 103.47 1xsk n GLN 146 Ca 0.02 1.07 -0.32 0.00 -1.94 0.00 0.00 57.00 55.83 1xsk n GLN 146 Cb 0.48 -5.52 -0.05 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 -4.06 3.29 -0.05 -1.09 0.52 -1.17 -4.93 118.95 111.45 1xsk s ARG 147 Ca 0.00 -0.44 0.06 0.00 -0.52 0.00 0.00 55.73 54.83 1xsk s ARG 147 Cb 0.00 -2.98 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 1xsk s ARG 147 CO 0.00 0.64 -0.24 -0.80 0.02 0.00 0.00 175.30 174.92 1xsk s ASN 148 N -2.12 2.91 0.18 0.23 0.01 -1.26 -0.13 114.94 114.76 1xsk s ASN 148 Ca 0.29 -0.48 0.07 0.00 -0.71 0.00 0.00 52.86 52.03 1xsk s ASN 148 Cb -0.13 -0.70 -0.04 0.00 0.41 0.00 0.00 41.25 40.79 1xsk s ASN 148 CO 0.21 0.24 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.59 1xsk s TYR 149 N -0.22 1.62 -0.01 2.20 2.02 0.16 -2.43 117.35 120.69 1xsk s TYR 149 Ca -0.01 -0.58 0.08 0.00 -0.37 0.00 0.00 57.07 56.19 1xsk s TYR 149 Cb -0.13 -0.78 -0.02 0.00 -0.40 0.00 0.00 41.96 40.63 1xsk s TYR 149 CO 0.03 0.29 -0.24 -1.64 -1.57 0.00 0.00 175.55 172.41 1xsk s MET 150 N -3.41 2.08 0.07 -0.62 -1.94 -0.94 0.14 119.30 114.69 1xsk s MET 150 Ca 0.19 -0.95 -0.06 0.00 -1.71 0.00 0.00 55.69 53.16 1xsk s MET 150 Cb -0.02 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.74 1xsk s MET 150 CO 0.05 0.56 0.12 -0.59 -0.01 0.00 0.00 175.02 175.15 1xsk s PHE 151 N -0.69 0.25 0.00 -0.03 -0.71 -0.67 -2.10 117.98 114.03 1xsk s PHE 151 Ca 0.11 -0.69 -0.07 0.00 -1.04 0.00 0.00 56.93 55.23 1xsk s PHE 151 Cb -0.10 -0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.56 1xsk s PHE 151 CO 0.00 -0.48 0.13 -2.00 -1.34 0.00 0.00 175.22 171.53 1xsk s GLU 152 N -3.73 0.47 -0.27 1.99 2.56 -0.69 -1.78 118.70 117.27 1xsk s GLU 152 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 54.97 54.60 1xsk s GLU 152 Cb 0.05 0.20 0.09 0.00 2.00 0.00 0.00 34.13 36.46 1xsk s GLU 152 CO -0.10 -0.11 0.08 1.03 -0.56 0.00 0.00 175.26 175.60 1xsk s ARG 153 N -1.36 0.61 -0.14 4.30 0.52 0.05 -1.07 118.95 121.86 1xsk s ARG 153 Ca -0.14 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 54.13 1xsk s ARG 153 Cb -0.08 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1xsk s ARG 153 CO 0.01 -0.87 0.52 -0.51 0.02 0.00 0.00 175.30 174.48 1xsk s LEU 154 N 1.79 4.24 0.77 2.53 1.43 -0.81 -4.34 118.68 124.28 1xsk s LEU 154 Ca 0.06 0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 53.84 1xsk s LEU 154 Cb -0.17 -2.75 0.06 0.00 0.03 0.00 0.00 46.19 43.36 1xsk s LEU 154 CO -0.21 -0.07 1.18 -1.81 0.23 0.00 0.00 176.35 175.67 1xsk s ASP 155 N 0.80 3.99 -0.04 2.29 1.01 -0.17 -0.92 116.67 123.64 1xsk s ASP 155 Ca 0.27 2.28 0.04 0.00 0.71 0.00 0.00 52.55 55.85 1xsk s ASP 155 Cb -0.15 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.19 1xsk s ASP 155 CO 0.11 -2.40 -0.17 -0.76 0.21 0.00 0.00 175.17 172.17 1xsk s LEU 156 N -5.48 1.92 0.69 1.23 1.43 -0.77 -4.61 118.68 113.08 1xsk s LEU 156 Ca 0.72 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1xsk s LEU 156 Cb -0.27 -0.93 0.11 0.00 0.03 0.00 0.00 46.19 45.13 1xsk s LEU 156 CO 0.48 0.16 0.95 -0.83 0.23 0.00 0.00 176.35 177.34 1xsk s GLY 157 N -0.02 1.77 0.25 -3.19 0.00 -1.26 -4.75 107.32 100.12 1xsk s GLY 157 Ca -0.02 -1.67 -0.31 0.00 0.00 0.00 0.00 44.72 42.71 1xsk s GLY 157 CO 0.02 -1.16 1.41 -0.62 0.00 0.00 0.00 173.10 172.75 1xsk n VAL 158 N -2.73 0.99 -0.93 1.40 0.31 -1.26 -1.10 118.33 115.02 1xsk n VAL 158 Ca 0.14 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1xsk n VAL 158 Cb 0.60 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 2.10 0.27 3.72 2.92 0.00 -1.26 -4.98 105.19 107.96 1xsk n GLY 159 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1xsk n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsk s GLU 160 N -1.00 4.57 0.07 1.61 2.12 -0.26 -4.97 118.70 120.84 1xsk s GLU 160 Ca 0.00 1.31 0.10 0.00 0.36 0.00 0.00 54.97 56.74 1xsk s GLU 160 Cb 0.00 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 1xsk s GLU 160 CO 0.00 0.06 -0.26 0.95 -0.54 0.00 0.00 175.26 175.47 1xsk s THR 161 N 0.64 2.16 0.01 -1.70 -4.23 -1.26 -4.85 115.64 106.40 1xsk s THR 161 Ca 0.47 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1xsk s THR 161 Cb -0.21 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1xsk s THR 161 CO 0.26 0.29 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.92 1xsk s VAL 162 N -0.87 3.98 0.18 2.29 1.01 -1.26 -2.28 120.40 123.44 1xsk s VAL 162 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1xsk s VAL 162 Cb -0.10 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1xsk s VAL 162 CO 0.03 0.36 0.06 -0.31 0.00 0.00 0.00 175.10 175.24 1xsk s TYR 163 N -1.08 1.13 0.00 5.22 2.02 0.08 -1.40 117.35 123.32 1xsk s TYR 163 Ca 0.19 -1.18 0.00 0.00 -0.37 0.00 0.00 57.07 55.71 1xsk s TYR 163 Cb -0.11 -0.63 0.00 0.00 -0.40 0.00 0.00 41.96 40.82 1xsk s TYR 163 CO 0.10 -0.41 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 1xsk n GLY 164 N -0.23 0.67 2.14 0.71 0.00 -1.26 -2.06 105.19 105.16 1xsk n GLY 164 Ca -0.04 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 1xsk n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xsk n LEU 165 N 0.00 -0.90 0.00 0.99 4.77 0.49 -4.84 117.00 117.51 1xsk n LEU 165 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1xsk n LEU 165 Cb 0.00 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1xsk n LEU 165 CO 0.00 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 1xsk n GLY 166 N -1.57 -2.41 3.55 -0.72 0.00 -1.23 -3.36 105.19 99.45 1xsk n GLY 166 Ca -0.07 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.28 3.28 0.25 1.61 2.12 -0.62 -3.93 118.70 121.13 1xsk s GLU 167 Ca 0.00 -0.14 0.11 0.00 0.36 0.00 0.00 54.97 55.30 1xsk s GLU 167 Cb 0.00 -4.14 -0.05 0.00 0.26 0.00 0.00 34.13 30.21 1xsk s GLU 167 CO 0.00 -1.99 -0.19 1.03 -0.54 0.00 0.00 175.26 173.56 1xsk s ARG 168 N 5.40 1.57 0.00 4.30 0.52 -1.26 -4.56 118.95 124.91 1xsk s ARG 168 Ca 0.36 -1.68 0.05 0.00 -0.52 0.00 0.00 55.73 53.94 1xsk s ARG 168 Cb -0.08 -1.63 0.09 0.00 0.52 0.00 0.00 34.95 33.84 1xsk s ARG 168 CO 0.18 0.31 0.87 1.19 0.02 0.00 0.00 175.30 177.87 1xsk n PHE 169 N -0.41 0.10 -1.63 -0.53 3.72 -1.26 -3.00 117.46 114.45 1xsk n PHE 169 Ca -0.07 -0.23 -0.24 0.00 -0.05 0.00 0.00 57.45 56.86 1xsk n PHE 169 Cb 0.59 -0.02 0.17 0.00 -0.94 0.00 0.00 39.48 39.28 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 0.13 0.00 -1.61 4.37 -2.24 -1.26 -4.87 114.28 108.80 1xsk n THR 170 Ca 0.04 -0.73 -0.45 0.00 -2.27 0.00 0.00 64.05 60.64 1xsk n THR 170 Cb 0.22 -1.55 -0.02 0.00 -2.10 0.00 0.00 70.33 66.88 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 -3.80 0.03 -0.25 6.98 0.00 -1.26 -4.86 120.51 117.36 1xsk n ALA 171 Ca -0.17 0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.72 1xsk n ALA 171 Cb 0.46 -2.09 0.18 0.00 0.00 0.00 0.00 19.45 18.01 1xsk n ALA 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xsk h LEU 172 N 2.65 0.10 -8.85 0.00 5.85 -1.92 -3.37 115.31 109.78 1xsk h LEU 172 Ca -0.42 0.13 -0.60 0.00 0.84 0.00 0.00 57.88 57.83 1xsk h LEU 172 Cb 1.32 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.41 1xsk h LEU 172 CO 0.65 0.01 0.52 -0.69 -0.34 0.00 0.00 178.44 178.59 1xsk s VAL 173 N -6.04 4.65 -0.35 1.05 1.01 -1.26 -4.63 120.40 114.83 1xsk s VAL 173 Ca -0.13 1.14 0.23 0.00 0.00 0.00 0.00 61.98 63.22 1xsk s VAL 173 Cb 0.21 -4.27 0.24 0.00 0.00 0.00 0.00 36.38 32.55 1xsk s VAL 173 CO 0.76 -0.46 1.70 0.54 0.00 0.00 0.00 175.10 177.64 1xsk n ARG 174 N 6.59 0.18 -1.68 2.72 5.12 -0.49 -4.83 116.66 124.27 1xsk n ARG 174 Ca 0.06 0.52 -0.52 0.00 -1.93 0.00 0.00 57.85 55.97 1xsk n ARG 174 Cb 0.48 -1.92 -0.06 0.00 -1.16 0.00 0.00 32.46 29.80 1xsk n ARG 174 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xsk n ASN 175 N -2.27 2.66 0.00 0.55 4.13 -1.26 -1.39 115.26 117.68 1xsk n ASN 175 Ca 0.01 1.05 0.00 0.00 1.68 0.00 0.00 54.58 57.32 1xsk n ASN 175 Cb 0.15 -1.25 0.00 0.00 -1.54 0.00 0.00 39.78 37.13 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 3.86 0.12 3.49 7.41 0.00 0.23 -5.00 105.19 115.30 1xsk n GLY 176 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.94 1.74 -0.06 1.61 -2.07 -0.49 -4.57 119.66 114.87 1xsk s GLN 177 Ca 0.00 -1.59 -0.02 0.00 -1.82 0.00 0.00 55.36 51.93 1xsk s GLN 177 Cb 0.00 -1.89 -0.04 0.00 -1.09 0.00 0.00 33.01 30.00 1xsk s GLN 177 CO 0.00 0.37 0.06 -0.08 -1.32 0.00 0.00 175.29 174.32 1xsk s THR 178 N -2.10 4.68 -0.00 3.63 -1.32 -1.26 -1.67 115.64 117.60 1xsk s THR 178 Ca 0.26 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1xsk s THR 178 Cb -0.07 -3.05 0.00 0.00 -1.51 0.00 0.00 72.50 67.87 1xsk s THR 178 CO 0.14 0.50 -0.00 0.54 -2.21 0.00 0.00 174.62 173.58 1xsk s VAL 179 N -1.04 0.04 -0.19 5.08 0.11 -0.22 -5.00 120.40 119.18 1xsk s VAL 179 Ca 0.18 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1xsk s VAL 179 Cb -0.12 -0.06 -0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1xsk s VAL 179 CO 0.07 0.03 -0.02 -1.61 -3.33 0.00 0.00 175.10 170.24 1xsk s GLU 180 N 0.16 3.60 -1.19 1.54 0.41 -1.26 -0.83 118.70 121.13 1xsk s GLU 180 Ca -0.01 -0.54 -0.17 0.00 -0.41 0.00 0.00 54.97 53.84 1xsk s GLU 180 Cb -0.02 -3.01 0.11 0.00 -1.78 0.00 0.00 34.13 29.43 1xsk s GLU 180 CO -0.00 0.06 1.52 0.95 -0.49 0.00 0.00 175.26 177.30 1xsk s THR 181 N 0.84 4.50 -0.16 3.63 -4.23 -0.70 -4.86 115.64 114.67 1xsk s THR 181 Ca -0.00 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1xsk s THR 181 Cb -0.14 -5.03 0.07 0.00 1.34 0.00 0.00 72.50 68.74 1xsk s THR 181 CO 0.02 -1.81 0.16 0.86 -0.54 0.00 0.00 174.62 173.31 1xsk s TRP 182 N 3.16 -0.09 0.30 3.99 -0.11 -1.26 -4.01 118.94 120.92 1xsk s TRP 182 Ca 0.46 0.15 -0.30 0.00 1.22 0.00 0.00 56.10 57.63 1xsk s TRP 182 Cb -0.00 -0.45 -0.12 0.00 -1.50 0.00 0.00 33.47 31.41 1xsk s TRP 182 CO 0.01 -0.47 1.59 0.09 -4.62 0.00 0.00 176.95 173.55 1xsk n ASN 183 N 5.31 3.85 -3.83 5.86 3.02 -1.26 -4.65 115.26 123.55 1xsk n ASN 183 Ca -0.06 1.15 -0.11 0.00 -0.03 0.00 0.00 54.58 55.53 1xsk n ASN 183 Cb 0.49 -1.59 -0.09 0.00 -0.61 0.00 0.00 39.78 37.98 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 -0.56 0.64 -1.11 3.52 0.52 -0.51 -4.62 118.95 116.83 1xsk s ARG 184 Ca 0.64 -0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 55.28 1xsk s ARG 184 Cb -0.50 0.27 0.29 0.00 0.52 0.00 0.00 34.95 35.53 1xsk s ARG 184 CO 0.49 -0.18 1.19 -3.47 0.02 0.00 0.00 175.30 173.35 1xsk n ASP 185 N 0.98 5.70 -0.60 0.23 -0.08 -1.26 -3.31 116.55 118.20 1xsk n ASP 185 Ca -0.20 -3.11 0.07 0.00 -1.51 0.00 0.00 54.79 50.04 1xsk n ASP 185 Cb 0.58 -1.36 0.19 0.00 2.34 0.00 0.00 41.12 42.86 1xsk n ASP 185 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xsk n GLY 186 N 2.41 3.78 7.00 0.27 0.00 -1.26 -5.10 105.19 112.28 1xsk n GLY 186 Ca 0.24 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.43 -1.53 0.48 -0.02 0.00 -1.26 -4.51 105.19 97.92 1xsk n GLY 187 Ca 0.16 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.01 1.53 -0.05 2.61 -2.24 -1.25 -4.72 114.28 110.15 1xsk n THR 188 Ca 0.00 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.62 1xsk n THR 188 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.91 1.95 -2.25 3.42 7.64 -1.26 -4.78 113.62 117.42 1xsk n SER 189 Ca 0.14 -1.99 -0.10 0.00 1.01 0.00 0.00 58.87 57.93 1xsk n SER 189 Cb 0.72 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.89 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 -0.50 0.00 0.73 0.44 -2.24 -1.26 -5.03 114.28 106.42 1xsk n THR 190 Ca 0.00 -1.03 0.09 0.00 -2.27 0.00 0.00 64.05 60.85 1xsk n THR 190 Cb 0.26 0.43 0.42 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.34 0.12 -2.34 -0.78 0.00 -1.26 -4.42 120.64 111.61 1xsk n GLU 191 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 57.16 57.02 1xsk n GLU 191 Cb 0.26 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.19 1xsk n GLU 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xsk s GLN 192 N -2.81 3.66 0.01 3.44 -0.21 -1.26 -4.91 119.66 117.58 1xsk s GLN 192 Ca 0.13 0.57 -0.06 0.00 0.02 0.00 0.00 55.36 56.01 1xsk s GLN 192 Cb 0.12 -2.23 -0.00 0.00 1.00 0.00 0.00 33.01 31.90 1xsk s GLN 192 CO 0.31 -0.33 0.11 0.00 -2.12 0.00 0.00 175.29 173.26 1xsk s ALA 193 N -2.83 -0.21 0.06 6.09 0.00 -1.26 -4.76 121.76 118.85 1xsk s ALA 193 Ca 0.53 -0.30 0.09 0.00 0.00 0.00 0.00 51.96 52.28 1xsk s ALA 193 Cb -0.11 0.15 -0.21 0.00 0.00 0.00 0.00 23.12 22.96 1xsk s ALA 193 CO 0.44 -0.23 1.09 1.88 0.00 0.00 0.00 175.76 178.94 1xsk h TYR 194 N 4.15 0.00 -3.59 0.00 0.05 -1.80 -1.36 116.97 114.42 1xsk h TYR 194 Ca -0.31 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 57.81 1xsk h TYR 194 Cb 1.19 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.53 1xsk h TYR 194 CO 0.59 0.98 -0.68 0.15 -1.05 0.00 0.00 178.16 178.14 1xsk s LYS 195 N -2.69 1.66 -0.12 4.88 1.02 -1.26 -3.30 119.74 119.93 1xsk s LYS 195 Ca -0.01 -2.11 -0.06 0.00 0.02 0.00 0.00 55.97 53.81 1xsk s LYS 195 Cb 0.09 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1xsk s LYS 195 CO 0.82 -1.00 0.10 -0.80 -0.92 0.00 0.00 175.35 173.55 1xsk s ASN 196 N 0.56 6.05 -0.08 2.83 0.01 -1.24 -1.59 114.94 121.47 1xsk s ASN 196 Ca 0.13 0.36 -0.03 0.00 -0.71 0.00 0.00 52.86 52.61 1xsk s ASN 196 Cb -0.21 -1.91 0.04 0.00 0.41 0.00 0.00 41.25 39.58 1xsk s ASN 196 CO -0.05 0.38 0.13 -0.63 -1.51 0.00 0.00 177.10 175.42 1xsk s ILE 197 N -0.88 -0.21 -0.05 0.60 -1.09 -1.22 -4.41 121.20 113.94 1xsk s ILE 197 Ca 0.14 0.32 -0.06 0.00 -2.23 0.00 0.00 60.65 58.82 1xsk s ILE 197 Cb -0.12 -0.29 -0.26 0.00 -1.58 0.00 0.00 42.46 40.21 1xsk s ILE 197 CO 0.03 0.11 3.60 -0.81 -1.23 0.00 0.00 174.94 176.65 1xsk n PRO 198 N 5.31 2.05 -4.57 2.79 -0.04 -1.26 -3.51 135.00 135.78 1xsk n PRO 198 Ca -0.04 -1.04 -0.24 0.00 -0.04 0.00 0.00 63.50 62.14 1xsk n PRO 198 Cb 0.50 -2.03 -0.16 0.00 -0.04 0.00 0.00 33.50 31.77 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 1.04 1.36 0.09 0.54 5.36 -1.26 -1.12 117.98 123.99 1xsk s PHE 199 Ca 0.67 -0.44 0.02 0.00 -0.96 0.00 0.00 56.93 56.21 1xsk s PHE 199 Cb 0.31 -0.98 -0.04 0.00 -0.34 0.00 0.00 43.02 41.98 1xsk s PHE 199 CO -0.00 -0.21 -0.07 1.52 -1.46 0.00 0.00 175.22 175.00 1xsk s TYR 200 N 0.45 0.84 0.06 10.12 -0.85 -0.91 -0.38 117.35 126.68 1xsk s TYR 200 Ca -0.10 -0.87 -0.05 0.00 -0.52 0.00 0.00 57.07 55.54 1xsk s TYR 200 Cb -0.13 -0.49 -0.02 0.00 0.38 0.00 0.00 41.96 41.70 1xsk s TYR 200 CO 0.03 -0.15 0.08 0.00 -1.52 0.00 0.00 175.55 173.98 1xsk s MET 201 N -3.53 0.68 0.47 -3.49 0.23 -0.88 -0.91 119.30 111.87 1xsk s MET 201 Ca 0.09 -1.00 0.03 0.00 -1.03 0.00 0.00 55.69 53.78 1xsk s MET 201 Cb 0.03 0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 1xsk s MET 201 CO -0.04 -0.17 0.01 0.95 -2.03 0.00 0.00 175.02 173.74 1xsk s THR 202 N -3.52 1.42 -1.35 3.16 -4.23 -0.89 -0.74 115.64 109.50 1xsk s THR 202 Ca 0.03 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1xsk s THR 202 Cb 0.04 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.51 1xsk s THR 202 CO -0.09 0.00 0.82 -0.46 -0.54 0.00 0.00 174.62 174.35 1xsk n ASN 203 N -1.15 1.15 -1.05 3.99 6.94 -0.97 -3.20 115.26 120.97 1xsk n ASN 203 Ca -0.13 -2.07 0.09 0.00 -0.02 0.00 0.00 54.58 52.45 1xsk n ASN 203 Cb 0.67 -0.34 0.24 0.00 -2.36 0.00 0.00 39.78 37.99 1xsk n ASN 203 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xsk n ARG 204 N -0.05 2.66 -0.83 -3.83 5.12 -1.26 -4.98 116.66 113.48 1xsk n ARG 204 Ca 0.03 -2.35 0.00 0.00 -1.93 0.00 0.00 57.85 53.60 1xsk n ARG 204 Cb 0.25 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1xsk n ARG 204 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xsk n GLY 205 N 1.21 0.50 3.09 -0.13 0.00 -1.19 -4.96 105.19 103.71 1xsk n GLY 205 Ca 0.19 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 0.40 0.25 1.61 -0.85 -1.26 0.06 117.35 115.57 1xsk s TYR 206 Ca 0.00 -0.87 0.02 0.00 -0.52 0.00 0.00 57.07 55.70 1xsk s TYR 206 Cb 0.00 -0.29 -0.05 0.00 0.38 0.00 0.00 41.96 41.99 1xsk s TYR 206 CO 0.00 -0.37 0.06 0.20 -1.52 0.00 0.00 175.55 173.92 1xsk s GLY 207 N -2.61 1.69 -0.10 5.49 0.00 0.82 -2.09 107.32 110.52 1xsk s GLY 207 Ca 0.02 -1.85 -0.05 0.00 0.00 0.00 0.00 44.72 42.84 1xsk s GLY 207 CO -0.08 -1.63 0.24 0.54 0.00 0.00 0.00 173.10 172.17 1xsk s VAL 208 N -3.63 -0.04 -0.30 1.40 0.11 -0.09 0.52 120.40 118.38 1xsk s VAL 208 Ca 0.34 0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 59.47 1xsk s VAL 208 Cb 0.07 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.57 1xsk s VAL 208 CO 0.12 0.06 0.07 -0.22 -3.33 0.00 0.00 175.10 171.80 1xsk s LEU 209 N 1.14 3.85 -0.33 2.54 2.96 -0.71 -2.15 118.68 125.99 1xsk s LEU 209 Ca -0.08 -0.77 -0.27 0.00 -0.22 0.00 0.00 54.13 52.79 1xsk s LEU 209 Cb -0.10 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1xsk s LEU 209 CO -0.08 -0.20 0.99 -0.69 -1.32 0.00 0.00 176.35 175.05 1xsk s VAL 210 N 1.47 4.58 -1.20 1.68 1.01 -0.28 -1.08 120.40 126.58 1xsk s VAL 210 Ca 0.02 1.52 -0.09 0.00 0.00 0.00 0.00 61.98 63.43 1xsk s VAL 210 Cb -0.17 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 31.74 1xsk s VAL 210 CO 0.02 -0.45 3.10 -3.20 0.00 0.00 0.00 175.10 174.57 1xsk n ASN 211 N 6.73 7.86 -3.75 3.32 5.15 -0.13 -4.76 115.26 129.67 1xsk n ASN 211 Ca 0.09 -2.59 -0.28 0.00 -0.60 0.00 0.00 54.58 51.21 1xsk n ASN 211 Cb 0.47 -1.51 -0.16 0.00 -0.53 0.00 0.00 39.78 38.05 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 1.66 1.14 0.44 1.20 3.76 -1.26 -4.83 115.29 117.39 1xsk s HIS 212 Ca 0.68 -0.92 0.11 0.00 -0.15 0.00 0.00 55.06 54.78 1xsk s HIS 212 Cb 0.22 -1.07 0.97 0.00 1.11 0.00 0.00 32.58 33.80 1xsk s HIS 212 CO -0.05 -0.62 2.04 -1.35 -0.85 0.00 0.00 174.74 173.91 1xsk h PRO 213 N 8.22 0.26 0.00 8.40 0.11 -1.88 -3.44 132.00 143.67 1xsk h PRO 213 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1xsk h PRO 213 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xsk h PRO 213 CO 0.34 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 1xsk n GLN 214 N -4.42 -1.20 -2.46 1.05 0.00 -1.26 -4.47 117.38 104.61 1xsk n GLN 214 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.57 1xsk n GLN 214 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.36 1xsk n GLN 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsk s VAL 216 N 2.39 3.81 -0.39 0.00 1.01 -1.26 -4.60 120.40 121.38 1xsk s VAL 216 Ca 0.55 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 1xsk s VAL 216 Cb -0.24 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.45 1xsk s VAL 216 CO 0.21 0.46 0.34 -0.55 0.00 0.00 0.00 175.10 175.56 1xsk s SER 217 N 0.76 6.14 -0.17 3.32 0.15 -0.50 -1.71 113.70 121.69 1xsk s SER 217 Ca -0.01 -0.60 -0.09 0.00 0.70 0.00 0.00 55.95 55.95 1xsk s SER 217 Cb -0.14 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 61.94 1xsk s SER 217 CO 0.02 -0.42 0.12 -0.36 1.20 0.00 0.00 173.24 173.79 1xsk s PHE 218 N 1.89 3.42 -0.63 3.44 0.40 -0.01 -1.65 117.98 124.86 1xsk s PHE 218 Ca 0.09 0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.78 1xsk s PHE 218 Cb -0.18 -2.08 0.15 0.00 0.51 0.00 0.00 43.02 41.43 1xsk s PHE 218 CO 0.11 0.39 0.41 -1.21 0.70 0.00 0.00 175.22 175.62 1xsk s GLU 219 N -0.04 2.34 -1.08 0.44 0.41 0.13 -1.06 118.70 119.84 1xsk s GLU 219 Ca 0.09 -2.89 -0.22 0.00 -0.41 0.00 0.00 54.97 51.55 1xsk s GLU 219 Cb -0.11 -3.48 0.05 0.00 -1.78 0.00 0.00 34.13 28.80 1xsk s GLU 219 CO 0.00 -1.19 1.55 0.08 -0.49 0.00 0.00 175.26 175.21 1xsk s VAL 220 N -0.70 3.93 -0.87 2.63 1.01 -0.67 -2.07 120.40 123.67 1xsk s VAL 220 Ca 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1xsk s VAL 220 Cb -0.17 -5.03 0.00 0.00 0.00 0.00 0.00 36.38 31.18 1xsk s VAL 220 CO -0.06 -1.89 0.00 0.61 0.00 0.00 0.00 175.10 173.75 1xsk n GLY 221 N 6.53 0.96 0.06 4.51 0.00 -0.60 0.77 105.19 117.41 1xsk n GLY 221 Ca 0.37 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.14 0.15 -0.07 1.61 3.41 -1.25 -4.03 113.62 113.30 1xsk n SER 222 Ca -0.08 0.06 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 1xsk n SER 222 Cb 0.36 1.35 -0.03 0.00 -0.26 0.00 0.00 64.21 65.63 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 -2.53 0.43 -3.66 4.33 2.13 -1.26 -4.85 120.64 115.24 1xsk n GLU 223 Ca -0.15 0.18 -0.39 0.00 0.66 0.00 0.00 57.16 57.46 1xsk n GLU 223 Cb 0.81 -1.26 -0.11 0.00 0.27 0.00 0.00 31.44 31.15 1xsk n GLU 223 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xsk s LYS 224 N -2.68 2.67 0.49 5.31 -0.14 -1.26 -4.98 119.74 119.16 1xsk s LYS 224 Ca -0.25 -1.24 0.24 0.00 -1.36 0.00 0.00 55.97 53.37 1xsk s LYS 224 Cb 0.05 -3.65 1.31 0.00 -1.68 0.00 0.00 37.83 33.86 1xsk s LYS 224 CO 0.35 -0.77 1.91 -0.39 -0.76 0.00 0.00 175.35 175.70 1xsk h VAL 225 N 6.05 0.66 -0.92 3.17 -1.51 -1.89 -2.16 116.25 119.66 1xsk h VAL 225 Ca -0.24 -0.05 -0.50 0.00 -1.23 0.00 0.00 66.70 64.68 1xsk h VAL 225 Cb 1.09 0.50 -0.28 0.00 -2.13 0.00 0.00 31.29 30.46 1xsk h VAL 225 CO 0.67 0.03 0.58 -1.54 -1.23 0.00 0.00 177.57 176.07 1xsk n SER 226 N -4.38 4.12 -3.59 4.19 3.41 -1.26 -4.47 113.62 111.63 1xsk n SER 226 Ca 0.16 -3.66 -0.13 0.00 -0.26 0.00 0.00 58.87 54.98 1xsk n SER 226 Cb 0.75 -0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 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 -3.37 1.02 -0.38 4.33 1.02 -0.81 -1.85 119.74 119.70 1xsk s LYS 227 Ca 0.56 -0.31 -0.09 0.00 0.02 0.00 0.00 55.97 56.15 1xsk s LYS 227 Cb 0.47 0.46 0.04 0.00 -0.52 0.00 0.00 37.83 38.29 1xsk s LYS 227 CO 0.08 -0.37 0.19 0.08 -0.92 0.00 0.00 175.35 174.41 1xsk s VAL 228 N -2.61 4.29 -0.05 3.17 1.01 -0.09 -1.55 120.40 124.56 1xsk s VAL 228 Ca -0.04 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 1xsk s VAL 228 Cb -0.00 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1xsk s VAL 228 CO -0.03 -0.29 0.26 -1.58 0.00 0.00 0.00 175.10 173.46 1xsk s GLN 229 N 1.48 3.62 -0.04 2.72 0.74 -0.88 -1.92 119.66 125.39 1xsk s GLN 229 Ca 0.01 0.05 -0.03 0.00 0.05 0.00 0.00 55.36 55.44 1xsk s GLN 229 Cb -0.20 -3.17 0.01 0.00 1.10 0.00 0.00 33.01 30.75 1xsk s GLN 229 CO 0.05 0.72 0.09 -0.59 -0.55 0.00 0.00 175.29 175.01 1xsk s PHE 230 N -1.11 -0.10 0.06 1.67 -0.12 -0.23 -0.70 117.98 117.45 1xsk s PHE 230 Ca 0.21 0.26 0.02 0.00 -0.05 0.00 0.00 56.93 57.37 1xsk s PHE 230 Cb -0.14 0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 1xsk s PHE 230 CO 0.10 -0.06 -0.07 -1.54 -0.05 0.00 0.00 175.22 173.60 1xsk s SER 231 N 0.25 0.89 -0.04 1.98 1.04 -0.66 -1.70 113.70 115.46 1xsk s SER 231 Ca -0.02 -0.72 -0.08 0.00 0.48 0.00 0.00 55.95 55.62 1xsk s SER 231 Cb -0.03 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1xsk s SER 231 CO -0.01 -0.32 0.19 0.54 0.98 0.00 0.00 173.24 174.63 1xsk s VAL 232 N -2.24 0.04 -0.49 5.02 0.11 -0.89 -1.41 120.40 120.53 1xsk s VAL 232 Ca -0.02 -0.30 -0.28 0.00 -2.93 0.00 0.00 61.98 58.44 1xsk s VAL 232 Cb -0.04 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.44 1xsk s VAL 232 CO -0.02 -0.16 1.43 -0.70 -3.33 0.00 0.00 175.10 172.32 1xsk s GLU 233 N -0.58 3.40 0.05 1.54 2.12 -1.26 -2.22 118.70 121.76 1xsk s GLU 233 Ca -0.07 0.69 -0.27 0.00 0.36 0.00 0.00 54.97 55.68 1xsk s GLU 233 Cb -0.04 -4.09 0.10 0.00 0.26 0.00 0.00 34.13 30.36 1xsk s GLU 233 CO 0.01 -1.79 1.18 0.45 -0.54 0.00 0.00 175.26 174.57 1xsk s SER 234 N 4.33 -0.05 0.00 -1.70 0.15 -1.02 -4.99 113.70 110.42 1xsk s SER 234 Ca 0.57 -0.30 0.21 0.00 0.70 0.00 0.00 55.95 57.13 1xsk s SER 234 Cb -0.12 0.28 0.16 0.00 -1.71 0.00 0.00 66.02 64.63 1xsk s SER 234 CO 0.29 -0.54 1.15 -0.62 1.20 0.00 0.00 173.24 174.72 1xsk n GLU 235 N -0.61 1.89 -3.65 5.44 -0.58 -1.26 -4.03 120.64 117.83 1xsk n GLU 235 Ca -0.05 -1.70 -0.14 0.00 -0.42 0.00 0.00 57.16 54.85 1xsk n GLU 235 Cb 0.61 -1.40 -0.07 0.00 -0.57 0.00 0.00 31.44 30.01 1xsk n GLU 235 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1xsk s TYR 236 N -1.78 -0.33 -0.09 -0.32 -0.85 -1.26 -0.76 117.35 111.96 1xsk s TYR 236 Ca 0.24 0.42 0.00 0.00 -0.52 0.00 0.00 57.07 57.21 1xsk s TYR 236 Cb 0.17 0.24 0.02 0.00 0.38 0.00 0.00 41.96 42.77 1xsk s TYR 236 CO 0.28 -0.54 -0.08 -1.17 -1.52 0.00 0.00 175.55 172.51 1xsk s LEU 237 N -1.71 1.31 -0.13 -3.49 2.96 -0.20 -4.89 118.68 112.53 1xsk s LEU 237 Ca -0.08 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1xsk s LEU 237 Cb -0.02 -0.79 0.02 0.00 0.50 0.00 0.00 46.19 45.91 1xsk s LEU 237 CO 0.01 -0.07 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.16 1xsk s GLU 238 N 1.35 1.94 0.16 1.98 2.12 -1.26 -0.80 118.70 124.19 1xsk s GLU 238 Ca -0.02 -0.42 0.06 0.00 0.36 0.00 0.00 54.97 54.94 1xsk s GLU 238 Cb -0.14 -1.84 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 1xsk s GLU 238 CO -0.04 -0.22 -0.13 1.52 -0.54 0.00 0.00 175.26 175.85 1xsk s TYR 239 N 1.50 1.47 -0.17 5.30 1.13 -0.25 -0.95 117.35 125.37 1xsk s TYR 239 Ca 0.03 -0.64 0.01 0.00 -1.41 0.00 0.00 57.07 55.06 1xsk s TYR 239 Cb -0.13 -0.72 0.03 0.00 -1.10 0.00 0.00 41.96 40.03 1xsk s TYR 239 CO -0.08 0.20 -0.16 -0.06 -2.51 0.00 0.00 175.55 172.94 1xsk s PHE 240 N -2.89 2.51 -0.13 -3.49 0.08 -0.24 -0.71 117.98 113.11 1xsk s PHE 240 Ca 0.17 -1.51 -0.23 0.00 0.12 0.00 0.00 56.93 55.48 1xsk s PHE 240 Cb -0.01 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.66 1xsk s PHE 240 CO 0.03 -0.75 0.70 0.08 -0.10 0.00 0.00 175.22 175.18 1xsk s VAL 241 N 1.37 5.01 -0.19 -0.44 1.01 -0.60 -1.73 120.40 124.83 1xsk s VAL 241 Ca 0.03 1.38 -0.02 0.00 0.00 0.00 0.00 61.98 63.37 1xsk s VAL 241 Cb -0.14 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1xsk s VAL 241 CO -0.11 0.16 -0.08 -0.63 0.00 0.00 0.00 175.10 174.44 1xsk s ILE 242 N 1.44 3.20 0.32 2.22 1.01 0.18 -1.22 121.20 128.36 1xsk s ILE 242 Ca 0.34 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 1xsk s ILE 242 Cb -0.17 -2.41 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 1xsk s ILE 242 CO 0.14 0.47 0.77 -0.62 0.00 0.00 0.00 174.94 175.70 1xsk s ASP 243 N 1.08 6.86 0.00 3.58 2.15 -0.71 -0.13 116.67 129.50 1xsk s ASP 243 Ca 0.00 1.38 0.00 0.00 0.43 0.00 0.00 52.55 54.36 1xsk s ASP 243 Cb -0.15 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1xsk s ASP 243 CO -0.01 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 1xsk n GLY 244 N -0.21 0.11 0.00 2.66 0.00 0.11 -4.11 105.19 103.76 1xsk n GLY 244 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 0.33 -3.97 1.61 -0.04 -1.26 -4.59 135.00 127.08 1xsk n PRO 245 Ca 0.00 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 1xsk n PRO 245 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.66 5.19 0.25 0.52 -4.23 -1.26 -3.58 115.64 109.87 1xsk s THR 246 Ca 0.25 -0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1xsk s THR 246 Cb 0.19 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.54 1xsk s THR 246 CO 0.46 -0.17 1.78 -0.65 -0.54 0.00 0.00 174.62 175.50 1xsk h PRO 247 N 1.88 0.63 -0.04 3.99 0.11 -1.88 -0.34 132.00 136.35 1xsk h PRO 247 Ca -0.49 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 1xsk h PRO 247 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1xsk h PRO 247 CO 0.66 0.42 -0.12 0.87 -0.21 0.00 0.00 178.00 179.61 1xsk h LYS 248 N 0.65 0.06 -0.08 1.05 1.57 -1.95 -2.24 116.57 115.62 1xsk h LYS 248 Ca 0.42 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.97 1xsk h LYS 248 Cb 0.52 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1xsk h LYS 248 CO -0.32 0.19 -0.81 0.00 -0.57 0.00 0.00 179.45 177.94 1xsk h ALA 249 N 1.82 0.41 -0.10 3.86 0.00 -1.40 -1.81 119.26 122.04 1xsk h ALA 249 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1xsk h ALA 249 Cb 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xsk h ALA 249 CO 0.02 0.74 0.07 0.28 0.00 0.00 0.00 179.25 180.35 1xsk h VAL 250 N 0.37 1.04 -0.04 0.00 2.07 -0.81 -1.54 116.25 117.34 1xsk h VAL 250 Ca -0.06 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1xsk h VAL 250 Cb 1.43 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1xsk h VAL 250 CO 0.15 0.04 -0.06 -0.07 0.02 0.00 0.00 177.57 177.65 1xsk h LEU 251 N 0.12 0.05 -0.32 2.57 3.38 -1.41 0.29 115.31 120.00 1xsk h LEU 251 Ca 0.04 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1xsk h LEU 251 Cb 0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xsk h LEU 251 CO -0.01 0.13 -0.00 -0.78 0.09 0.00 0.00 178.44 177.86 1xsk h ASP 252 N 0.06 0.56 -0.16 -0.43 1.82 -0.72 -0.62 116.42 116.91 1xsk h ASP 252 Ca 0.01 -0.31 -0.12 0.00 -0.39 0.00 0.00 57.03 56.22 1xsk h ASP 252 Cb 0.15 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1xsk h ASP 252 CO 0.01 0.73 -0.37 0.03 -1.61 0.00 0.00 179.24 178.03 1xsk h ARG 253 N 0.37 0.54 -0.63 0.28 3.08 -0.30 -2.48 114.38 115.22 1xsk h ARG 253 Ca 0.09 -0.36 0.06 0.00 0.07 0.00 0.00 59.98 59.84 1xsk h ARG 253 Cb 0.45 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 1xsk h ARG 253 CO 0.02 0.97 0.33 -0.92 -1.07 0.00 0.00 179.97 179.30 1xsk h TYR 254 N 0.18 0.60 0.00 3.04 3.20 -0.42 0.59 116.97 124.16 1xsk h TYR 254 Ca -0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1xsk h TYR 254 Cb 0.97 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1xsk h TYR 254 CO 0.10 0.27 -0.41 1.79 -1.64 0.00 0.00 178.16 178.26 1xsk h THR 255 N 0.61 0.83 -0.02 1.81 1.35 -1.15 0.15 112.91 116.49 1xsk h THR 255 Ca 0.29 -1.77 -0.16 0.00 -0.55 0.00 0.00 66.41 64.22 1xsk h THR 255 Cb 0.22 2.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1xsk h THR 255 CO -0.20 0.40 -0.73 -0.09 -0.25 0.00 0.00 175.52 174.65 1xsk h ARG 256 N 0.00 0.11 0.09 4.72 2.43 -0.96 0.15 114.38 120.93 1xsk h ARG 256 Ca -0.00 -0.10 -0.18 0.00 -0.81 0.00 0.00 59.98 58.89 1xsk h ARG 256 Cb 1.09 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1xsk h ARG 256 CO 0.05 0.79 -0.75 0.35 -1.51 0.00 0.00 179.97 178.91 1xsk h PHE 257 N 0.07 0.57 0.00 2.20 3.57 -0.42 -3.40 116.94 119.54 1xsk h PHE 257 Ca -0.02 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1xsk h PHE 257 Cb 1.29 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1xsk h PHE 257 CO 0.01 1.26 -1.14 0.25 -2.23 0.00 0.00 178.31 176.46 1xsk n THR 258 N -4.15 0.00 0.00 4.41 -2.24 0.49 -0.36 114.28 112.43 1xsk n THR 258 Ca -0.13 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1xsk n THR 258 Cb 0.77 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 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 1.47 4.78 3.81 3.38 0.00 0.49 -4.28 105.19 114.85 1xsk n GLY 259 Ca 0.00 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 -4.47 4.05 0.21 1.61 1.81 -0.99 -4.50 118.95 116.67 1xsk s ARG 260 Ca 0.00 0.49 -0.31 0.00 -1.72 0.00 0.00 55.73 54.19 1xsk s ARG 260 Cb 0.00 -3.26 -0.11 0.00 -0.45 0.00 0.00 34.95 31.13 1xsk s ARG 260 CO 0.00 0.60 1.62 -2.14 -0.68 0.00 0.00 175.30 174.70 1xsk s PRO 261 N -0.82 4.17 0.78 3.54 0.02 -1.26 -4.15 135.00 137.28 1xsk s PRO 261 Ca 0.25 2.48 -0.11 0.00 0.02 0.00 0.00 61.00 63.65 1xsk s PRO 261 Cb -0.17 -3.10 0.06 0.00 0.02 0.00 0.00 34.50 31.30 1xsk s PRO 261 CO 0.14 -0.65 1.08 0.00 -0.33 0.00 0.00 177.00 177.24 1xsk s ALA 262 N 0.92 2.27 -0.39 -1.55 0.00 -1.25 -3.92 121.76 117.83 1xsk s ALA 262 Ca 0.70 0.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 1xsk s ALA 262 Cb -0.47 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1xsk s ALA 262 CO 0.35 -1.68 0.47 -1.17 0.00 0.00 0.00 175.76 173.73 1xsk s LEU 263 N -5.81 4.62 0.30 0.00 2.96 -1.26 -4.73 118.68 114.76 1xsk s LEU 263 Ca 0.60 -0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 53.82 1xsk s LEU 263 Cb -0.15 -2.48 -0.10 0.00 0.50 0.00 0.00 46.19 43.96 1xsk s LEU 263 CO 0.55 -0.55 1.30 -2.84 -1.32 0.00 0.00 176.35 173.49 1xsk s PRO 264 N 2.28 4.38 0.79 0.98 0.02 -1.26 -4.93 135.00 137.26 1xsk s PRO 264 Ca 0.15 2.17 -0.14 0.00 0.02 0.00 0.00 61.00 63.19 1xsk s PRO 264 Cb -0.16 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 31.30 1xsk s PRO 264 CO 0.14 -0.18 1.01 -0.35 -0.33 0.00 0.00 177.00 177.29 1xsk n PRO 265 N 1.17 0.26 -0.36 5.54 -0.04 -1.24 -4.89 135.00 135.44 1xsk n PRO 265 Ca 0.01 0.15 0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1xsk n PRO 265 Cb 0.42 -2.27 0.20 0.00 -0.04 0.00 0.00 33.50 31.81 1xsk n PRO 265 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsk h ALA 266 N -0.70 1.45 -0.68 0.55 0.00 -1.90 -2.50 119.26 115.48 1xsk h ALA 266 Ca -0.46 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1xsk h ALA 266 Cb 1.31 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1xsk h ALA 266 CO 0.45 0.38 0.45 0.11 0.00 0.00 0.00 179.25 180.64 1xsk h TRP 267 N 1.11 0.66 0.00 0.00 5.08 -1.90 -0.60 115.95 120.30 1xsk h TRP 267 Ca 0.44 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.43 1xsk h TRP 267 Cb 0.26 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 26.20 1xsk h TRP 267 CO -0.00 0.34 0.00 -1.13 -1.28 0.00 0.00 178.44 176.37 1xsk n SER 268 N -4.48 0.04 -0.04 0.11 3.41 -0.94 -1.07 113.62 110.65 1xsk n SER 268 Ca 0.10 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 1xsk n SER 268 Cb 0.27 -0.52 0.47 0.00 -0.26 0.00 0.00 64.21 64.17 1xsk n SER 268 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xsk n PHE 269 N -1.55 0.00 -1.04 7.33 3.72 -0.23 -4.80 117.46 120.88 1xsk n PHE 269 Ca 0.01 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.22 1xsk n PHE 269 Cb 0.03 -0.31 0.15 0.00 -0.94 0.00 0.00 39.48 38.41 1xsk n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xsk n GLY 270 N 1.44 -2.31 3.69 1.37 0.00 -0.23 -4.76 105.19 104.38 1xsk n GLY 270 Ca 0.09 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 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 4.25 0.13 0.99 2.96 -1.26 -4.45 118.68 121.30 1xsk s LEU 271 Ca 0.45 1.57 -0.11 0.00 -0.22 0.00 0.00 54.13 55.82 1xsk s LEU 271 Cb -0.04 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.03 1xsk s LEU 271 CO 0.34 -0.47 0.48 0.26 -1.32 0.00 0.00 176.35 175.64 1xsk s TRP 272 N 2.05 3.56 -0.04 5.38 0.52 -0.20 -2.43 118.94 127.77 1xsk s TRP 272 Ca 0.49 0.90 0.03 0.00 0.02 0.00 0.00 56.10 57.54 1xsk s TRP 272 Cb -0.19 -2.25 0.00 0.00 -1.15 0.00 0.00 33.47 29.88 1xsk s TRP 272 CO 0.18 0.44 -0.14 -1.17 0.02 0.00 0.00 176.95 176.28 1xsk s LEU 273 N -2.12 1.82 -0.01 2.99 1.98 0.12 -0.61 118.68 122.85 1xsk s LEU 273 Ca 0.38 -0.29 0.00 0.00 -2.89 0.00 0.00 54.13 51.33 1xsk s LEU 273 Cb -0.14 -0.81 0.01 0.00 0.66 0.00 0.00 46.19 45.91 1xsk s LEU 273 CO 0.19 0.10 0.00 -0.89 -1.89 0.00 0.00 176.35 173.87 1xsk s THR 274 N 0.21 0.05 -1.28 3.68 2.01 -0.65 -0.10 115.64 119.56 1xsk s THR 274 Ca -0.06 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 1xsk s THR 274 Cb -0.11 -0.09 0.15 0.00 0.01 0.00 0.00 72.50 72.45 1xsk s THR 274 CO 0.02 0.05 1.75 1.07 -0.69 0.00 0.00 174.62 176.82 1xsk n THR 275 N 3.47 4.21 -0.99 -0.82 5.66 -1.26 -4.39 114.28 120.16 1xsk n THR 275 Ca -0.18 -4.36 0.00 0.00 -3.05 0.00 0.00 64.05 56.46 1xsk n THR 275 Cb 0.56 -2.42 0.00 0.00 -1.55 0.00 0.00 70.33 66.92 1xsk n THR 275 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1xsk n SER 276 N 4.99 -0.75 -0.05 1.09 7.64 -1.26 -4.49 113.62 120.79 1xsk n SER 276 Ca 0.41 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.20 1xsk n SER 276 Cb 0.39 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1xsk n SER 276 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xsk n PHE 277 N -0.10 0.00 -0.70 1.43 7.35 -1.18 -4.77 117.46 119.49 1xsk n PHE 277 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 1xsk n PHE 277 Cb 0.00 -0.40 0.38 0.00 0.35 0.00 0.00 39.48 39.81 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 -3.06 2.14 -2.43 -2.13 -2.24 -0.93 -4.75 114.28 100.88 1xsk n THR 278 Ca -0.20 -1.25 -0.35 0.00 -2.27 0.00 0.00 64.05 59.99 1xsk n THR 278 Cb 0.68 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 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 -2.16 3.54 -0.32 4.28 -4.23 -1.26 -5.02 115.64 110.47 1xsk s THR 279 Ca 0.52 0.98 -0.16 0.00 -1.18 0.00 0.00 61.69 61.85 1xsk s THR 279 Cb 0.36 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.78 1xsk s THR 279 CO 0.22 -0.19 0.40 0.21 -0.54 0.00 0.00 174.62 174.71 1xsk s ASN 280 N -1.86 6.23 0.14 3.99 2.47 -1.26 -5.02 114.94 119.62 1xsk s ASN 280 Ca 0.69 0.00 -0.15 0.00 0.42 0.00 0.00 52.86 53.82 1xsk s ASN 280 Cb -0.20 -2.22 0.03 0.00 -1.45 0.00 0.00 41.25 37.41 1xsk s ASN 280 CO 0.23 -0.31 0.40 -0.72 -3.72 0.00 0.00 177.10 172.98 1xsk s TYR 281 N 2.11 -0.10 0.00 0.43 1.13 -1.26 -5.05 117.35 114.60 1xsk s TYR 281 Ca 0.14 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.57 1xsk s TYR 281 Cb -0.16 0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 1xsk s TYR 281 CO 0.11 -0.73 0.00 -0.40 -2.51 0.00 0.00 175.55 172.02 1xsk n ASP 282 N -0.23 0.19 -0.10 -0.18 3.85 -1.26 -4.93 116.55 113.89 1xsk n ASP 282 Ca -0.14 -0.57 -0.10 0.00 -0.71 0.00 0.00 54.79 53.27 1xsk n ASP 282 Cb 0.63 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.37 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 0.48 -0.68 0.11 4.81 -1.98 -2.09 114.58 115.23 1xsk h GLU 283 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1xsk h GLU 283 Cb 0.00 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1xsk h GLU 283 CO 0.00 0.55 0.44 0.00 -0.73 0.00 0.00 179.01 179.27 1xsk h ALA 284 N 0.91 1.50 -0.66 2.92 0.00 -1.98 -1.72 119.26 120.23 1xsk h ALA 284 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1xsk h ALA 284 Cb 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1xsk h ALA 284 CO 0.00 0.46 0.18 1.15 0.00 0.00 0.00 179.25 181.04 1xsk h THR 285 N 0.92 1.26 0.83 0.00 2.02 -1.90 -1.54 112.91 114.49 1xsk h THR 285 Ca 0.25 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 1xsk h THR 285 Cb -0.09 0.59 0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1xsk h THR 285 CO -0.05 0.35 -0.40 0.58 0.37 0.00 0.00 175.52 176.37 1xsk h VAL 286 N 0.97 0.09 -0.30 3.16 2.07 -0.64 -2.75 116.25 118.85 1xsk h VAL 286 Ca 0.21 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.66 1xsk h VAL 286 Cb 0.34 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 1xsk h VAL 286 CO -0.00 0.01 -0.07 0.78 0.02 0.00 0.00 177.57 178.30 1xsk h ASN 287 N -1.23 -0.27 0.00 0.57 2.35 -1.37 0.23 115.58 115.86 1xsk h ASN 287 Ca -0.11 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xsk h ASN 287 Cb 0.86 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1xsk h ASN 287 CO 0.19 -0.10 0.05 -0.24 -1.65 0.00 0.00 177.43 175.68 1xsk n SER 288 N -5.25 0.15 -0.06 5.81 2.88 -0.58 -0.83 113.62 115.74 1xsk n SER 288 Ca -0.00 0.53 -0.22 0.00 -1.33 0.00 0.00 58.87 57.85 1xsk n SER 288 Cb 0.17 -0.54 -0.13 0.00 -0.75 0.00 0.00 64.21 62.96 1xsk n SER 288 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1xsk n PHE 289 N -1.68 0.90 -0.08 0.66 -0.00 0.71 -3.56 117.46 114.41 1xsk n PHE 289 Ca -0.00 0.25 -0.10 0.00 -0.00 0.00 0.00 57.45 57.60 1xsk n PHE 289 Cb 0.06 -1.11 -0.03 0.00 -0.00 0.00 0.00 39.48 38.40 1xsk n PHE 289 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1xsk h ILE 290 N -0.34 1.16 -0.49 -2.13 2.04 0.12 -2.66 117.51 115.21 1xsk h ILE 290 Ca -0.45 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1xsk h ILE 290 Cb 1.77 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1xsk h ILE 290 CO -0.07 0.16 0.31 0.44 0.00 0.00 0.00 178.15 179.00 1xsk h ASP 291 N 0.29 0.57 -0.91 1.72 3.32 -1.18 -1.10 116.42 119.12 1xsk h ASP 291 Ca 0.09 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.17 1xsk h ASP 291 Cb 0.15 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 1xsk h ASP 291 CO -0.01 0.42 0.60 1.23 -1.72 0.00 0.00 179.24 179.76 1xsk h GLY 292 N 0.68 1.32 0.55 2.75 0.00 -1.52 0.70 103.07 107.55 1xsk h GLY 292 Ca 0.18 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1xsk h GLY 292 CO -0.04 0.35 -0.07 -0.33 0.00 0.00 0.00 176.54 176.45 1xsk h MET 293 N 1.09 -0.19 -0.90 4.80 2.86 -1.14 -3.02 114.93 118.42 1xsk h MET 293 Ca 0.38 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.08 1xsk h MET 293 Cb 0.11 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1xsk h MET 293 CO -0.13 0.21 0.59 0.00 1.06 0.00 0.00 176.91 178.64 1xsk h ALA 294 N 0.08 1.46 0.00 6.32 0.00 -0.89 -1.24 119.26 124.99 1xsk h ALA 294 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xsk h ALA 294 Cb 0.49 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xsk h ALA 294 CO 0.03 0.43 -0.03 0.93 0.00 0.00 0.00 179.25 180.62 1xsk h GLU 295 N 1.09 0.00 -0.25 0.00 5.08 0.44 -1.76 114.58 119.18 1xsk h GLU 295 Ca 0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1xsk h GLU 295 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1xsk h GLU 295 CO -0.12 0.03 -0.00 0.54 -1.00 0.00 0.00 179.01 178.45 1xsk n ARG 296 N -3.42 2.82 -3.85 2.33 1.74 -0.57 -4.96 116.66 110.75 1xsk n ARG 296 Ca -0.02 -2.84 -0.30 0.00 -0.77 0.00 0.00 57.85 53.92 1xsk n ARG 296 Cb 0.13 -1.83 0.02 0.00 -1.02 0.00 0.00 32.46 29.76 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 -0.57 -4.70 -4.25 0.55 3.02 -0.66 -4.93 115.26 103.72 1xsk n ASN 297 Ca 0.21 -0.74 -0.43 0.00 -0.03 0.00 0.00 54.58 53.60 1xsk n ASN 297 Cb 0.89 -3.76 -0.07 0.00 -0.61 0.00 0.00 39.78 36.23 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 -7.19 5.97 0.29 3.41 1.43 -0.63 -4.93 118.68 117.04 1xsk s LEU 298 Ca 0.64 -2.07 -0.29 0.00 -1.03 0.00 0.00 54.13 51.38 1xsk s LEU 298 Cb -0.32 -2.09 -0.13 0.00 0.03 0.00 0.00 46.19 43.68 1xsk s LEU 298 CO 0.78 -0.70 1.21 -2.65 0.23 0.00 0.00 176.35 175.23 1xsk n PRO 299 N 4.76 1.80 -4.03 1.29 -0.02 -1.26 -4.30 135.00 133.23 1xsk n PRO 299 Ca -0.05 0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1xsk n PRO 299 Cb 0.41 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 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 -0.22 2.13 0.00 2.45 1.98 -1.26 -4.79 118.68 118.98 1xsk s LEU 300 Ca 0.60 -0.30 0.00 0.00 -2.89 0.00 0.00 54.13 51.54 1xsk s LEU 300 Cb -0.65 -0.10 0.00 0.00 0.66 0.00 0.00 46.19 46.11 1xsk s LEU 300 CO 0.58 -0.11 0.00 1.41 -1.89 0.00 0.00 176.35 176.34 1xsk n HIS 301 N 2.24 0.00 -4.51 5.38 8.25 -1.02 -4.91 115.22 120.64 1xsk n HIS 301 Ca -0.18 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.04 1xsk n HIS 301 Cb 0.57 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.28 1.02 -0.12 1.59 1.01 -1.15 -0.80 120.40 120.67 1xsk s VAL 302 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1xsk s VAL 302 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1xsk s VAL 302 CO 0.00 0.33 -0.10 0.12 0.00 0.00 0.00 175.10 175.45 1xsk s PHE 303 N 0.67 2.87 -0.18 5.22 5.36 0.14 0.12 117.98 132.17 1xsk s PHE 303 Ca -0.13 -0.42 -0.03 0.00 -0.96 0.00 0.00 56.93 55.39 1xsk s PHE 303 Cb -0.15 -1.83 -0.01 0.00 -0.34 0.00 0.00 43.02 40.69 1xsk s PHE 303 CO 0.03 -0.05 -0.07 -1.58 -1.46 0.00 0.00 175.22 172.09 1xsk s HIS 304 N 0.07 2.92 -0.50 10.12 5.65 0.86 -1.45 115.29 132.97 1xsk s HIS 304 Ca -0.04 -0.75 -0.23 0.00 0.25 0.00 0.00 55.06 54.30 1xsk s HIS 304 Cb -0.14 -2.00 0.04 0.00 -1.18 0.00 0.00 32.58 29.30 1xsk s HIS 304 CO 0.04 -0.36 0.81 -0.06 -0.65 0.00 0.00 174.74 174.52 1xsk s PHE 305 N 0.93 2.93 0.00 3.88 0.08 0.14 -4.31 117.98 121.64 1xsk s PHE 305 Ca -0.01 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.02 1xsk s PHE 305 Cb -0.15 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 1xsk s PHE 305 CO 0.00 -1.13 0.00 -3.47 -0.10 0.00 0.00 175.22 170.53 1xsk n ASP 306 N 6.90 0.00 0.00 1.36 4.64 -1.26 -0.94 116.55 127.25 1xsk n ASP 306 Ca 0.01 -0.31 0.00 0.00 -1.38 0.00 0.00 54.79 53.11 1xsk n ASP 306 Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.55 1xsk n ASP 306 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1xsk n PHE 308 N -3.99 0.17 0.97 0.00 3.72 -1.26 -3.41 117.46 113.66 1xsk n PHE 308 Ca 0.00 -0.44 0.13 0.00 -0.05 0.00 0.00 57.45 57.08 1xsk n PHE 308 Cb 0.00 -0.25 0.42 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.31 0.05 -4.25 1.38 4.27 -1.15 -4.79 117.44 113.26 1xsk n TRP 309 Ca 0.03 0.01 -0.23 0.00 -3.89 0.00 0.00 57.50 53.42 1xsk n TRP 309 Cb 0.50 -0.40 -0.07 0.00 -1.36 0.00 0.00 31.31 29.98 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 -3.01 2.28 0.44 -2.67 -1.94 -1.22 -0.75 119.30 112.43 1xsk s MET 310 Ca 0.12 -1.50 -0.24 0.00 -1.71 0.00 0.00 55.69 52.36 1xsk s MET 310 Cb 0.18 -2.13 -0.08 0.00 2.01 0.00 0.00 34.83 34.81 1xsk s MET 310 CO 0.62 0.26 1.24 0.15 -0.01 0.00 0.00 175.02 177.28 1xsk s LYS 311 N -3.73 3.82 0.58 2.03 1.02 -1.26 -4.71 119.74 117.50 1xsk s LYS 311 Ca 0.34 1.97 -0.20 0.00 0.02 0.00 0.00 55.97 58.10 1xsk s LYS 311 Cb -0.04 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1xsk s LYS 311 CO 0.21 -0.55 1.30 0.00 -0.92 0.00 0.00 175.35 175.39 1xsk n ALA 312 N -0.21 1.32 -0.68 5.17 0.00 -1.26 -2.46 120.51 122.40 1xsk n ALA 312 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1xsk n ALA 312 Cb 0.46 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 -1.36 0.00 -0.44 0.00 3.72 -1.26 -4.70 117.46 113.42 1xsk n PHE 313 Ca 0.12 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.58 1xsk n PHE 313 Cb 0.46 -1.32 0.15 0.00 -0.94 0.00 0.00 39.48 37.83 1xsk n PHE 313 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xsk n GLN 314 N -1.52 2.76 -1.39 -1.08 6.02 -1.03 -4.00 117.38 117.14 1xsk n GLN 314 Ca 0.00 -2.20 -0.61 0.00 -0.01 0.00 0.00 57.00 54.18 1xsk n GLN 314 Cb 0.09 -1.39 -0.11 0.00 1.02 0.00 0.00 30.24 29.85 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 1.36 -2.05 1.08 8.01 -1.25 -3.20 117.44 121.27 1xsk n TRP 315 Ca 0.12 0.80 -0.04 0.00 -1.31 0.00 0.00 57.50 57.07 1xsk n TRP 315 Cb 0.53 -2.30 0.02 0.00 -2.01 0.00 0.00 31.31 27.55 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 -2.00 1.58 -0.88 0.00 5.68 -1.19 -4.72 116.55 115.01 1xsk n ASP 317 Ca -0.02 -1.29 -0.11 0.00 -0.50 0.00 0.00 54.79 52.87 1xsk n ASP 317 Cb 0.54 0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.48 1xsk n ASP 317 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1xsk n PHE 318 N 0.38 0.00 -3.46 2.11 3.72 -1.26 -5.00 117.46 113.94 1xsk n PHE 318 Ca 0.04 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.06 1xsk n PHE 318 Cb 0.18 -2.16 -0.09 0.00 -0.94 0.00 0.00 39.48 36.47 1xsk n PHE 318 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xsk s GLU 319 N -2.93 4.07 0.28 -1.08 0.41 -1.26 -5.05 118.70 113.14 1xsk s GLU 319 Ca 0.00 -0.01 -0.29 0.00 -0.41 0.00 0.00 54.97 54.26 1xsk s GLU 319 Cb 0.00 -3.59 -0.10 0.00 -1.78 0.00 0.00 34.13 28.66 1xsk s GLU 319 CO 0.00 -0.12 1.32 -1.58 -0.49 0.00 0.00 175.26 174.38 1xsk s TRP 320 N 1.59 3.13 -0.22 1.61 0.52 -1.26 -4.05 118.94 120.26 1xsk s TRP 320 Ca 0.14 1.32 -0.29 0.00 0.02 0.00 0.00 56.10 57.29 1xsk s TRP 320 Cb -0.15 -3.66 -0.06 0.00 -1.15 0.00 0.00 33.47 28.45 1xsk s TRP 320 CO 0.08 -1.91 2.20 -3.47 0.02 0.00 0.00 176.95 173.87 1xsk n ASP 321 N 1.55 3.17 -0.10 2.95 -0.08 0.07 -4.84 116.55 119.26 1xsk n ASP 321 Ca 0.03 0.28 0.11 0.00 -1.51 0.00 0.00 54.79 53.70 1xsk n ASP 321 Cb 0.42 -1.51 0.47 0.00 2.34 0.00 0.00 41.12 42.84 1xsk n ASP 321 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xsk h PRO 322 N 14.40 0.46 0.00 -0.67 0.11 -1.90 0.68 132.00 145.08 1xsk h PRO 322 Ca -0.40 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1xsk h PRO 322 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xsk h PRO 322 CO 0.97 0.30 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.99 1xsk h LEU 323 N 0.47 -0.00 -0.28 2.35 3.38 -1.98 -3.24 115.31 116.02 1xsk h LEU 323 Ca 0.29 -0.93 -0.09 0.00 0.09 0.00 0.00 57.88 57.24 1xsk h LEU 323 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1xsk h LEU 323 CO -0.09 0.94 -0.18 0.74 0.09 0.00 0.00 178.44 179.95 1xsk h THR 324 N -0.96 1.30 -2.88 0.22 2.02 -1.89 -3.38 112.91 107.33 1xsk h THR 324 Ca -0.00 -1.30 -0.61 0.00 0.77 0.00 0.00 66.41 65.27 1xsk h THR 324 Cb 0.93 1.54 -0.41 0.00 -1.74 0.00 0.00 68.15 68.47 1xsk h THR 324 CO 0.00 0.41 -0.68 -0.36 0.37 0.00 0.00 175.52 175.26 1xsk s PHE 325 N -4.51 2.89 0.52 3.16 0.08 0.22 -3.90 117.98 116.44 1xsk s PHE 325 Ca -0.13 -3.06 0.21 0.00 0.12 0.00 0.00 56.93 54.07 1xsk s PHE 325 Cb 0.08 -2.21 1.42 0.00 -0.57 0.00 0.00 43.02 41.74 1xsk s PHE 325 CO 0.80 -0.62 2.15 -1.35 -0.10 0.00 0.00 175.22 176.10 1xsk h PRO 326 N 5.46 0.00 -2.66 0.24 0.11 -1.74 -3.36 132.00 130.04 1xsk h PRO 326 Ca 0.18 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.70 1xsk h PRO 326 Cb 0.80 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.51 1xsk h PRO 326 CO 0.62 0.04 -0.84 0.34 -0.21 0.00 0.00 178.00 177.96 1xsk s ASP 327 N -6.69 2.85 0.01 -2.05 2.15 -1.26 -5.04 116.67 106.64 1xsk s ASP 327 Ca -0.05 -2.65 -0.03 0.00 0.43 0.00 0.00 52.55 50.25 1xsk s ASP 327 Cb 0.16 -0.65 -0.02 0.00 -0.30 0.00 0.00 42.92 42.11 1xsk s ASP 327 CO 0.63 -0.25 1.05 -0.65 -0.17 0.00 0.00 175.17 175.78 1xsk h PRO 328 N 6.46 -0.09 -0.94 4.34 0.11 -1.99 -2.43 132.00 137.47 1xsk h PRO 328 Ca 0.10 0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.41 1xsk h PRO 328 Cb 0.93 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.98 1xsk h PRO 328 CO 0.38 -0.06 0.61 1.49 -0.21 0.00 0.00 178.00 180.21 1xsk h GLU 329 N -0.09 0.55 -0.50 1.05 4.81 -1.97 -0.80 114.58 117.64 1xsk h GLU 329 Ca -0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1xsk h GLU 329 Cb 0.08 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1xsk h GLU 329 CO -0.00 0.36 0.22 0.78 -0.73 0.00 0.00 179.01 179.64 1xsk h GLY 330 N 0.57 0.78 0.93 1.92 0.00 -1.89 -1.13 103.07 104.25 1xsk h GLY 330 Ca 0.51 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1xsk h GLY 330 CO -0.25 0.39 -0.07 1.98 0.00 0.00 0.00 176.54 178.59 1xsk h MET 331 N 0.66 0.65 0.00 4.80 1.85 -0.67 -2.30 114.93 119.92 1xsk h MET 331 Ca 0.17 -0.24 -0.00 0.00 -0.61 0.00 0.00 59.70 59.01 1xsk h MET 331 Cb 0.16 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.15 1xsk h MET 331 CO -0.02 0.81 -0.00 0.82 -0.40 0.00 0.00 176.91 178.13 1xsk h ILE 332 N 0.44 1.07 0.00 1.77 2.04 -1.17 0.14 117.51 121.81 1xsk h ILE 332 Ca 0.09 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1xsk h ILE 332 Cb 0.56 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1xsk h ILE 332 CO 0.03 0.06 -0.06 0.03 0.00 0.00 0.00 178.15 178.21 1xsk h ARG 333 N -0.09 0.00 0.21 2.37 3.08 -1.24 0.28 114.38 118.99 1xsk h ARG 333 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1xsk h ARG 333 Cb 0.09 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.17 1xsk h ARG 333 CO 0.00 0.06 -1.25 0.00 -1.07 0.00 0.00 179.97 177.71 1xsk h ARG 334 N 0.00 0.45 -0.67 0.04 3.08 -0.94 -2.76 114.38 113.57 1xsk h ARG 334 Ca -0.00 -0.77 -0.05 0.00 0.07 0.00 0.00 59.98 59.23 1xsk h ARG 334 Cb 0.28 0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1xsk h ARG 334 CO 0.01 1.37 0.22 -0.07 -1.07 0.00 0.00 179.97 180.42 1xsk h LEU 335 N -0.05 0.98 -0.40 3.04 3.38 -0.25 -2.89 115.31 119.12 1xsk h LEU 335 Ca -0.22 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.60 1xsk h LEU 335 Cb 1.97 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 42.42 1xsk h LEU 335 CO 0.23 0.92 0.13 0.50 0.09 0.00 0.00 178.44 180.30 1xsk h LYS 336 N 0.98 0.27 0.00 1.13 1.63 -0.52 -0.89 116.57 119.17 1xsk h LYS 336 Ca 0.22 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1xsk h LYS 336 Cb 0.29 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1xsk h LYS 336 CO -0.01 0.18 0.00 0.00 -3.45 0.00 0.00 179.45 176.17 1xsk h ALA 337 N 1.27 1.00 -0.25 5.00 0.00 -1.27 0.12 119.26 125.12 1xsk h ALA 337 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xsk h ALA 337 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xsk h ALA 337 CO -0.21 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.67 1xsk n LYS 338 N -2.50 1.99 -2.45 0.00 5.02 -0.34 -4.88 118.16 115.00 1xsk n LYS 338 Ca -0.02 -1.08 -0.07 0.00 -2.02 0.00 0.00 58.31 55.12 1xsk n LYS 338 Cb 0.06 -1.46 0.04 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.65 0.03 3.09 0.72 0.00 0.01 -5.06 105.19 104.63 1xsk n GLY 339 Ca 0.10 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1xsk n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsk s LEU 340 N -4.01 2.45 0.01 0.99 1.43 -1.14 -4.77 118.68 113.64 1xsk s LEU 340 Ca 0.11 -0.91 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 1xsk s LEU 340 Cb -0.01 0.11 -0.03 0.00 0.03 0.00 0.00 46.19 46.28 1xsk s LEU 340 CO 0.33 -0.51 -0.07 -0.54 0.23 0.00 0.00 176.35 175.79 1xsk s LYS 341 N -3.43 2.51 -0.17 1.70 -0.14 0.02 -4.46 119.74 115.78 1xsk s LYS 341 Ca 0.04 -0.75 -0.02 0.00 -1.36 0.00 0.00 55.97 53.87 1xsk s LYS 341 Cb 0.04 -2.48 -0.01 0.00 -1.68 0.00 0.00 37.83 33.70 1xsk s LYS 341 CO -0.07 0.59 -0.09 0.42 -0.76 0.00 0.00 175.35 175.45 1xsk s ILE 342 N -1.02 3.27 -0.02 2.17 1.09 -1.26 -0.68 121.20 124.75 1xsk s ILE 342 Ca 0.18 -0.56 0.07 0.00 -1.10 0.00 0.00 60.65 59.24 1xsk s ILE 342 Cb -0.11 -2.43 -0.02 0.00 -1.06 0.00 0.00 42.46 38.84 1xsk s ILE 342 CO 0.08 0.48 -0.23 0.00 -0.10 0.00 0.00 174.94 175.18 1xsk s VAL 344 N -0.66 1.21 0.40 0.00 -7.23 -0.94 -0.68 120.40 112.50 1xsk s VAL 344 Ca 0.11 -1.32 -0.25 0.00 -1.81 0.00 0.00 61.98 58.71 1xsk s VAL 344 Cb -0.10 -1.15 -0.08 0.00 0.56 0.00 0.00 36.38 35.61 1xsk s VAL 344 CO -0.00 -0.18 1.12 0.86 -0.31 0.00 0.00 175.10 176.59 1xsk s TRP 345 N -1.22 3.14 0.24 2.82 -0.00 -0.11 -1.86 118.94 121.96 1xsk s TRP 345 Ca -0.00 1.59 -0.15 0.00 -0.00 0.00 0.00 56.10 57.54 1xsk s TRP 345 Cb -0.10 -3.28 0.01 0.00 -0.00 0.00 0.00 33.47 30.10 1xsk s TRP 345 CO 0.02 -1.04 0.53 0.96 -0.00 0.00 0.00 176.95 177.43 1xsk s ILE 346 N -1.51 0.01 0.29 5.86 -4.36 -1.02 -4.89 121.20 115.58 1xsk s ILE 346 Ca 0.58 -1.17 -0.21 0.00 -0.26 0.00 0.00 60.65 59.59 1xsk s ILE 346 Cb -0.27 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.47 1xsk s ILE 346 CO 0.34 -0.04 0.73 0.54 0.24 0.00 0.00 174.94 176.74 1xsk s ASN 347 N -2.96 -0.24 -0.20 4.36 4.22 -1.26 -2.32 114.94 116.54 1xsk s ASN 347 Ca 0.17 -0.65 0.11 0.00 -2.14 0.00 0.00 52.86 50.34 1xsk s ASN 347 Cb -0.02 0.73 0.66 0.00 1.28 0.00 0.00 41.25 43.91 1xsk s ASN 347 CO 0.05 -1.37 1.52 -0.81 -2.04 0.00 0.00 177.10 174.46 1xsk n PRO 348 N -0.47 4.09 -4.58 3.55 -0.04 -1.26 -4.93 135.00 131.36 1xsk n PRO 348 Ca -0.04 -2.55 -0.28 0.00 -0.04 0.00 0.00 63.50 60.58 1xsk n PRO 348 Cb 0.59 -2.12 -0.10 0.00 -0.04 0.00 0.00 33.50 31.83 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 -2.44 2.43 -0.19 0.54 2.02 -1.26 -2.42 117.35 116.03 1xsk s TYR 349 Ca 0.44 -0.70 -0.12 0.00 -0.37 0.00 0.00 57.07 56.32 1xsk s TYR 349 Cb 0.34 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 40.18 1xsk s TYR 349 CO 0.13 0.38 0.46 -1.50 -1.57 0.00 0.00 175.55 173.45 1xsk s ILE 350 N -2.72 -0.02 0.44 2.71 2.07 -0.94 -4.40 121.20 118.35 1xsk s ILE 350 Ca 0.32 0.06 -0.20 0.00 -1.41 0.00 0.00 60.65 59.41 1xsk s ILE 350 Cb 0.08 -0.67 -0.10 0.00 0.13 0.00 0.00 42.46 41.89 1xsk s ILE 350 CO 0.16 0.02 0.96 -0.83 -1.91 0.00 0.00 174.94 173.35 1xsk s GLY 351 N 1.17 2.34 0.35 1.50 0.00 -1.24 -1.68 107.32 109.77 1xsk s GLY 351 Ca -0.07 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.06 1xsk s GLY 351 CO -0.11 0.65 1.95 -1.61 0.00 0.00 0.00 173.10 173.98 1xsk h GLN 352 N 1.75 0.79 0.00 2.90 4.15 -1.58 -2.56 115.11 120.56 1xsk h GLN 352 Ca -0.49 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1xsk h GLN 352 Cb 1.18 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1xsk h GLN 352 CO 0.61 0.52 0.00 -0.22 -1.93 0.00 0.00 178.83 177.81 1xsk h LYS 353 N 0.82 0.00 -6.74 1.69 3.64 -1.84 -3.44 116.57 110.69 1xsk h LYS 353 Ca 0.33 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 59.21 1xsk h LYS 353 Cb 0.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1xsk h LYS 353 CO -0.11 0.00 0.43 0.45 -2.27 0.00 0.00 179.45 177.94 1xsk s SER 354 N -4.68 7.41 0.45 4.20 0.15 -0.96 -4.92 113.70 115.34 1xsk s SER 354 Ca -0.03 2.10 0.12 0.00 0.70 0.00 0.00 55.95 58.84 1xsk s SER 354 Cb 0.10 -2.61 1.00 0.00 -1.71 0.00 0.00 66.02 62.80 1xsk s SER 354 CO 0.33 -0.05 2.04 -0.65 1.20 0.00 0.00 173.24 176.11 1xsk h PRO 355 N 4.30 0.19 0.00 5.44 0.11 -1.90 -1.74 132.00 138.40 1xsk h PRO 355 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1xsk h PRO 355 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1xsk h PRO 355 CO 0.69 0.21 -0.35 0.28 -0.21 0.00 0.00 178.00 178.62 1xsk h VAL 356 N 0.19 1.02 -0.71 3.15 2.07 -1.93 -3.19 116.25 116.85 1xsk h VAL 356 Ca 0.05 -1.31 0.15 0.00 0.82 0.00 0.00 66.70 66.41 1xsk h VAL 356 Cb 0.14 1.75 -0.10 0.00 -1.52 0.00 0.00 31.29 31.56 1xsk h VAL 356 CO 0.00 0.34 0.18 0.15 0.02 0.00 0.00 177.57 178.26 1xsk h PHE 357 N 0.00 0.28 -0.50 1.57 3.04 -1.58 -0.41 116.94 119.35 1xsk h PHE 357 Ca -0.00 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.92 1xsk h PHE 357 Cb 0.73 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.20 1xsk h PHE 357 CO 0.00 -0.06 0.06 -0.22 -2.02 0.00 0.00 178.31 176.07 1xsk h LYS 358 N 0.29 0.84 -0.19 1.11 3.64 -1.71 -1.48 116.57 119.06 1xsk h LYS 358 Ca 0.39 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1xsk h LYS 358 Cb 0.65 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1xsk h LYS 358 CO -0.48 0.85 0.11 1.49 -2.27 0.00 0.00 179.45 179.16 1xsk h GLU 359 N 0.72 0.23 -0.48 1.90 4.81 -1.37 0.05 114.58 120.45 1xsk h GLU 359 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1xsk h GLU 359 Cb 0.43 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1xsk h GLU 359 CO 0.01 0.15 0.30 -0.07 -0.73 0.00 0.00 179.01 178.67 1xsk h LEU 360 N 0.24 0.56 -0.58 1.64 3.38 -1.03 -1.14 115.31 118.38 1xsk h LEU 360 Ca 0.07 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xsk h LEU 360 Cb -0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1xsk h LEU 360 CO -0.03 0.44 0.35 -0.61 0.09 0.00 0.00 178.44 178.67 1xsk h GLN 361 N 0.64 0.66 0.00 1.13 4.15 -0.94 -0.16 115.11 120.59 1xsk h GLN 361 Ca 0.17 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1xsk h GLN 361 Cb -0.03 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.51 1xsk h GLN 361 CO -0.03 0.44 0.00 0.93 -1.93 0.00 0.00 178.83 178.24 1xsk h GLU 362 N 0.68 0.00 0.00 1.69 5.08 -0.68 -2.78 114.58 118.57 1xsk h GLU 362 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1xsk h GLU 362 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xsk h GLU 362 CO -0.10 0.00 -0.79 0.87 -1.00 0.00 0.00 179.01 177.99 1xsk h LYS 363 N 0.00 0.00 0.00 2.33 1.57 -0.41 -3.48 116.57 116.58 1xsk h LYS 363 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xsk h LYS 363 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1xsk h LYS 363 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1xsk n GLY 364 N 1.27 0.40 0.74 3.86 0.00 -0.15 -4.96 105.19 106.36 1xsk n GLY 364 Ca 0.02 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.82 0.42 -4.30 1.61 4.01 -0.79 -4.91 117.16 109.37 1xsk n TYR 365 Ca 0.00 -0.21 -0.28 0.00 -0.16 0.00 0.00 57.90 57.25 1xsk n TYR 365 Cb 0.43 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.35 1xsk n TYR 365 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsk s LEU 366 N -1.29 2.81 0.14 7.72 1.43 -1.26 -1.11 118.68 127.13 1xsk s LEU 366 Ca 0.31 -0.56 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 1xsk s LEU 366 Cb 0.17 -1.59 -0.11 0.00 0.03 0.00 0.00 46.19 44.69 1xsk s LEU 366 CO 0.24 0.15 1.80 -0.22 0.23 0.00 0.00 176.35 178.55 1xsk s LEU 367 N -2.39 4.39 0.19 1.79 2.96 0.17 -4.68 118.68 121.11 1xsk s LEU 367 Ca 0.21 2.78 0.08 0.00 -0.22 0.00 0.00 54.13 56.98 1xsk s LEU 367 Cb -0.10 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1xsk s LEU 367 CO 0.12 -0.99 -0.03 -0.54 -1.32 0.00 0.00 176.35 173.59 1xsk s LYS 368 N 2.33 2.28 0.80 1.98 1.02 -1.26 -1.97 119.74 124.91 1xsk s LYS 368 Ca 0.79 -1.20 -0.11 0.00 0.02 0.00 0.00 55.97 55.47 1xsk s LYS 368 Cb -0.47 -2.27 0.09 0.00 -0.52 0.00 0.00 37.83 34.66 1xsk s LYS 368 CO 0.35 0.44 1.15 1.03 -0.92 0.00 0.00 175.35 177.40 1xsk s ARG 369 N -3.00 1.85 0.28 1.68 0.52 0.37 -0.91 118.95 119.74 1xsk s ARG 369 Ca 0.27 -0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.42 1xsk s ARG 369 Cb -0.09 -2.00 0.61 0.00 0.52 0.00 0.00 34.95 33.98 1xsk s ARG 369 CO 0.18 -1.60 1.78 -1.35 0.02 0.00 0.00 175.30 174.32 1xsk h PRO 370 N -1.00 0.70 0.00 3.54 0.11 -1.83 -0.82 132.00 132.71 1xsk h PRO 370 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xsk h PRO 370 Cb 1.31 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xsk h PRO 370 CO 0.60 0.46 0.00 -0.40 -0.21 0.00 0.00 178.00 178.46 1xsk n ASP 371 N -4.80 0.00 0.00 -2.05 5.68 -1.26 -4.85 116.55 109.26 1xsk n ASP 371 Ca 0.19 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.77 1xsk n ASP 371 Cb 0.47 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 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 -0.11 2.59 3.75 6.12 0.00 -0.31 -5.06 105.19 112.16 1xsk n GLY 372 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.29 4.06 0.30 1.61 1.04 -1.26 -4.71 113.70 113.45 1xsk s SER 373 Ca 0.00 1.62 -0.27 0.00 0.48 0.00 0.00 55.95 57.78 1xsk s SER 373 Cb 0.00 -2.32 -0.10 0.00 0.10 0.00 0.00 66.02 63.71 1xsk s SER 373 CO 0.00 -2.29 0.94 -0.76 0.98 0.00 0.00 173.24 172.11 1xsk s LEU 374 N -6.03 4.40 0.08 2.42 1.43 -1.26 -0.48 118.68 119.24 1xsk s LEU 374 Ca 0.62 1.85 -0.30 0.00 -1.03 0.00 0.00 54.13 55.28 1xsk s LEU 374 Cb -0.17 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.07 1xsk s LEU 374 CO 0.56 -0.02 0.96 0.86 0.23 0.00 0.00 176.35 178.94 1xsk s TRP 375 N -1.52 3.77 0.23 0.29 -0.00 -0.83 -4.70 118.94 116.18 1xsk s TRP 375 Ca 0.48 1.76 -0.12 0.00 -0.00 0.00 0.00 56.10 58.22 1xsk s TRP 375 Cb -0.20 -3.06 -0.00 0.00 -0.00 0.00 0.00 33.47 30.21 1xsk s TRP 375 CO 0.25 0.16 0.44 -0.65 -0.00 0.00 0.00 176.95 177.16 1xsk s GLN 376 N 0.22 1.47 0.02 5.86 -0.21 -1.26 -4.48 119.66 121.28 1xsk s GLN 376 Ca 0.48 -1.22 -0.28 0.00 0.02 0.00 0.00 55.36 54.36 1xsk s GLN 376 Cb -0.23 0.46 0.10 0.00 1.00 0.00 0.00 33.01 34.34 1xsk s GLN 376 CO 0.29 -0.60 1.24 1.67 -2.12 0.00 0.00 175.29 175.77 1xsk s TRP 377 N -4.00 0.01 -0.26 0.91 1.48 -1.21 -4.93 118.94 110.94 1xsk s TRP 377 Ca 0.21 -0.18 0.16 0.00 -1.06 0.00 0.00 56.10 55.23 1xsk s TRP 377 Cb 0.00 0.58 0.47 0.00 -1.16 0.00 0.00 33.47 33.36 1xsk s TRP 377 CO 0.07 -0.40 1.37 -0.25 -4.06 0.00 0.00 176.95 173.68 1xsk n ASP 378 N -0.93 3.58 -4.64 -2.66 8.00 -1.25 -0.65 116.55 118.00 1xsk n ASP 378 Ca -0.01 -2.88 -0.40 0.00 0.71 0.00 0.00 54.79 52.21 1xsk n ASP 378 Cb 0.60 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.57 4.14 0.00 -1.24 1.02 -1.26 -3.88 119.74 115.95 1xsk s LYS 379 Ca 0.38 0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.82 1xsk s LYS 379 Cb 0.30 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1xsk s LYS 379 CO 0.09 -0.29 0.00 1.87 -0.92 0.00 0.00 175.35 176.10 1xsk n TRP 380 N 5.27 0.00 -3.74 3.18 -0.00 -1.26 -4.89 117.44 116.00 1xsk n TRP 380 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.37 1xsk n TRP 380 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.75 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 1.03 -0.10 5.87 -1.52 -1.25 -5.05 119.66 118.64 1xsk s GLN 381 Ca 0.00 -0.84 -0.22 0.00 -1.95 0.00 0.00 55.36 52.36 1xsk s GLN 381 Cb 0.00 0.43 -0.04 0.00 -0.22 0.00 0.00 33.01 33.18 1xsk s GLN 381 CO 0.00 -0.39 0.63 -1.25 -0.25 0.00 0.00 175.29 174.03 1xsk s PRO 382 N -3.84 4.37 -1.45 2.91 0.04 -1.26 -3.79 135.00 131.98 1xsk s PRO 382 Ca 0.05 0.72 -0.06 0.00 0.04 0.00 0.00 61.00 61.75 1xsk s PRO 382 Cb 0.03 -3.47 0.04 0.00 0.04 0.00 0.00 34.50 31.15 1xsk s PRO 382 CO -0.10 0.04 0.72 0.41 0.04 0.00 0.00 177.00 178.11 1xsk n GLY 383 N 3.26 -0.35 3.69 0.56 0.00 -0.64 -3.10 105.19 108.61 1xsk n GLY 383 Ca -0.03 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -7.00 4.32 0.43 0.99 0.20 0.18 -3.53 118.68 114.27 1xsk s LEU 384 Ca 0.29 2.08 0.08 0.00 0.69 0.00 0.00 54.13 57.27 1xsk s LEU 384 Cb -0.15 -3.56 -0.01 0.00 -0.43 0.00 0.00 46.19 42.04 1xsk s LEU 384 CO 0.85 -0.68 0.41 0.00 -0.29 0.00 0.00 176.35 176.63 1xsk s ALA 385 N 2.22 4.14 -0.07 5.97 0.00 -0.67 -3.35 121.76 130.00 1xsk s ALA 385 Ca 0.63 -1.85 0.03 0.00 0.00 0.00 0.00 51.96 50.77 1xsk s ALA 385 Cb -0.31 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1xsk s ALA 385 CO 0.26 -0.26 -0.18 0.42 0.00 0.00 0.00 175.76 176.00 1xsk s ILE 386 N -2.49 1.58 0.21 0.00 1.01 -1.26 -2.22 121.20 118.04 1xsk s ILE 386 Ca 0.48 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 60.07 1xsk s ILE 386 Cb -0.04 -1.39 -0.11 0.00 0.01 0.00 0.00 42.46 40.94 1xsk s ILE 386 CO 0.28 0.45 1.57 -0.31 0.00 0.00 0.00 174.94 176.93 1xsk s TYR 387 N 0.40 2.97 -0.88 3.97 1.51 -1.02 0.44 117.35 124.75 1xsk s TYR 387 Ca -0.14 0.71 -0.19 0.00 -1.01 0.00 0.00 57.07 56.44 1xsk s TYR 387 Cb -0.16 -3.96 0.13 0.00 -0.11 0.00 0.00 41.96 37.86 1xsk s TYR 387 CO 0.06 -3.40 1.07 0.34 -1.11 0.00 0.00 175.55 172.50 1xsk s ASP 388 N 0.84 6.57 0.00 2.29 -1.08 -0.27 -4.65 116.67 120.38 1xsk s ASP 388 Ca 0.67 -1.96 0.13 0.00 -0.52 0.00 0.00 52.55 50.87 1xsk s ASP 388 Cb -0.45 -2.38 0.63 0.00 -1.46 0.00 0.00 42.92 39.25 1xsk s ASP 388 CO 0.37 -1.07 1.39 0.49 0.52 0.00 0.00 175.17 176.88 1xsk n PHE 389 N 6.46 0.00 1.37 -5.34 0.99 -1.26 -1.54 117.46 118.14 1xsk n PHE 389 Ca 0.19 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.71 1xsk n PHE 389 Cb 0.48 -0.39 0.27 0.00 -1.00 0.00 0.00 39.48 38.84 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 -1.39 0.23 -3.67 4.37 -2.24 -1.26 -4.67 114.28 105.65 1xsk n THR 390 Ca 0.05 -0.27 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 1xsk n THR 390 Cb 0.13 0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.29 5.51 0.34 3.42 3.84 -0.59 -3.88 114.94 122.29 1xsk s ASN 391 Ca 0.23 -0.83 0.12 0.00 0.21 0.00 0.00 52.86 52.59 1xsk s ASN 391 Cb 0.12 -1.97 0.94 0.00 -0.55 0.00 0.00 41.25 39.79 1xsk s ASN 391 CO 0.18 -0.29 1.73 -0.65 -2.79 0.00 0.00 177.10 175.28 1xsk h PRO 392 N 8.34 0.52 0.11 0.43 0.11 -1.86 -1.21 132.00 138.43 1xsk h PRO 392 Ca -0.28 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.53 1xsk h PRO 392 Cb 1.12 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1xsk h PRO 392 CO 0.63 0.34 -1.20 -0.44 -0.21 0.00 0.00 178.00 177.13 1xsk h ASP 393 N 0.54 0.38 -0.68 -2.05 3.32 -1.94 -2.84 116.42 113.14 1xsk h ASP 393 Ca 0.64 -0.40 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 1xsk h ASP 393 Cb 1.30 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1xsk h ASP 393 CO -0.44 1.31 0.11 0.00 -1.72 0.00 0.00 179.24 178.50 1xsk h ALA 394 N 0.64 0.91 -0.85 3.45 0.00 -1.64 -1.06 119.26 120.71 1xsk h ALA 394 Ca -0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1xsk h ALA 394 Cb 1.93 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 1xsk h ALA 394 CO 0.19 0.67 0.45 0.00 0.00 0.00 0.00 179.25 180.57 1xsk h LYS 396 N 1.19 0.88 -0.17 0.00 3.64 -1.20 -0.28 116.57 120.63 1xsk h LYS 396 Ca 0.30 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1xsk h LYS 396 Cb 0.05 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1xsk h LYS 396 CO -0.05 0.88 0.10 2.35 -2.27 0.00 0.00 179.45 180.47 1xsk h TRP 397 N 0.76 0.20 -0.38 1.91 7.01 -0.88 -0.13 115.95 124.44 1xsk h TRP 397 Ca 0.15 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 1xsk h TRP 397 Cb 0.45 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 1xsk h TRP 397 CO 0.03 0.12 0.10 -0.92 -2.79 0.00 0.00 178.44 174.98 1xsk h TYR 398 N 0.21 0.63 -0.28 2.65 3.20 -1.27 -2.77 116.97 119.34 1xsk h TYR 398 Ca 0.06 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1xsk h TYR 398 Cb -0.02 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1xsk h TYR 398 CO -0.07 0.62 0.17 0.00 -1.64 0.00 0.00 178.16 177.24 1xsk h ALA 399 N 0.94 0.36 -0.73 1.82 0.00 -0.84 -2.34 119.26 118.46 1xsk h ALA 399 Ca 0.12 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xsk h ALA 399 Cb 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1xsk h ALA 399 CO 0.00 -0.20 0.48 -0.44 0.00 0.00 0.00 179.25 179.10 1xsk h ASP 400 N 0.35 0.79 -0.48 0.00 3.32 -0.96 -1.01 116.42 118.44 1xsk h ASP 400 Ca 0.11 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1xsk h ASP 400 Cb -0.01 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1xsk h ASP 400 CO -0.04 0.55 0.17 0.11 -1.72 0.00 0.00 179.24 178.31 1xsk h LYS 401 N 0.92 0.78 -0.18 3.56 1.79 -1.14 -0.78 116.57 121.53 1xsk h LYS 401 Ca 0.28 -0.13 -0.20 0.00 -2.18 0.00 0.00 60.65 58.42 1xsk h LYS 401 Cb 0.00 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1xsk h LYS 401 CO -0.08 0.68 -0.66 -0.07 -1.08 0.00 0.00 179.45 178.24 1xsk h LEU 402 N 0.77 0.89 -1.49 2.94 3.38 -0.84 -2.72 115.31 118.24 1xsk h LEU 402 Ca 0.18 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1xsk h LEU 402 Cb 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1xsk h LEU 402 CO -0.01 1.34 0.35 0.11 0.09 0.00 0.00 178.44 180.32 1xsk h LYS 403 N 0.49 0.67 -0.68 1.13 1.57 -0.90 -0.02 116.57 118.84 1xsk h LYS 403 Ca -0.03 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1xsk h LYS 403 Cb 1.29 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1xsk h LYS 403 CO 0.14 0.45 0.45 0.78 -0.57 0.00 0.00 179.45 180.69 1xsk h GLY 404 N 0.70 0.95 0.86 3.86 0.00 -0.90 0.13 103.07 108.67 1xsk h GLY 404 Ca 0.20 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1xsk h GLY 404 CO -0.04 0.34 -0.01 1.41 0.00 0.00 0.00 176.54 178.24 1xsk h LEU 405 N 0.91 0.48 -0.65 3.11 3.38 -0.83 -2.44 115.31 119.27 1xsk h LEU 405 Ca 0.25 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1xsk h LEU 405 Cb -0.10 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1xsk h LEU 405 CO -0.06 0.69 0.42 0.58 0.09 0.00 0.00 178.44 180.16 1xsk h VAL 406 N 0.26 1.13 0.00 1.22 2.07 -0.75 0.14 116.25 120.32 1xsk h VAL 406 Ca 0.07 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1xsk h VAL 406 Cb 0.45 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1xsk h VAL 406 CO 0.02 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1xsk h ALA 407 N 1.26 1.00 0.00 1.67 0.00 -0.63 0.12 119.26 122.68 1xsk h ALA 407 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xsk h ALA 407 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xsk h ALA 407 CO -0.08 0.00 -0.54 -0.12 0.00 0.00 0.00 179.25 178.52 1xsk n MET 408 N -2.38 0.15 0.00 0.00 0.00 0.45 -4.93 117.12 110.40 1xsk n MET 408 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1xsk n MET 408 Cb 0.13 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 31.76 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 1.42 1.03 3.75 -5.12 0.00 0.42 -4.58 105.19 102.11 1xsk n GLY 409 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1xsk n GLY 409 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsk s VAL 410 N -2.00 3.16 -0.24 1.61 1.01 -0.97 -4.61 120.40 118.35 1xsk s VAL 410 Ca 0.00 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.09 1xsk s VAL 410 Cb 0.00 -3.68 -0.19 0.00 0.00 0.00 0.00 36.38 32.51 1xsk s VAL 410 CO 0.00 0.21 -0.15 0.47 0.00 0.00 0.00 175.10 175.63 1xsk n ASP 411 N 1.70 1.65 -3.99 3.32 8.00 0.15 -4.32 116.55 123.06 1xsk n ASP 411 Ca 0.02 -0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 1xsk n ASP 411 Cb 0.43 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.26 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 -3.96 1.20 -0.40 0.00 0.40 -1.26 -2.21 117.98 111.76 1xsk s PHE 413 Ca 0.34 -0.56 -0.10 0.00 -0.60 0.00 0.00 56.93 56.02 1xsk s PHE 413 Cb 0.04 -0.65 0.06 0.00 0.51 0.00 0.00 43.02 42.97 1xsk s PHE 413 CO 0.13 0.06 0.24 0.21 0.70 0.00 0.00 175.22 176.56 1xsk s LYS 414 N -2.40 2.70 -1.02 0.44 2.20 -0.77 -2.68 119.74 118.20 1xsk s LYS 414 Ca 0.04 -1.31 -0.20 0.00 -0.36 0.00 0.00 55.97 54.14 1xsk s LYS 414 Cb -0.06 -3.76 0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1xsk s LYS 414 CO 0.02 -0.85 1.34 0.95 -0.36 0.00 0.00 175.35 176.45 1xsk s THR 415 N 1.48 4.36 0.69 3.43 -4.23 -0.89 -2.42 115.64 118.05 1xsk s THR 415 Ca 0.02 -1.34 -0.11 0.00 -1.18 0.00 0.00 61.69 59.08 1xsk s THR 415 Cb -0.22 -4.95 0.01 0.00 1.34 0.00 0.00 72.50 68.69 1xsk s THR 415 CO 0.04 -1.75 1.08 -0.62 -0.54 0.00 0.00 174.62 172.84 1xsk s ASP 416 N 4.19 5.55 0.67 3.99 -1.08 -0.98 -2.76 116.67 126.25 1xsk s ASP 416 Ca 0.41 1.20 0.00 0.00 -0.52 0.00 0.00 52.55 53.64 1xsk s ASP 416 Cb -0.02 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.40 1xsk s ASP 416 CO -0.07 -1.28 0.00 0.49 0.52 0.00 0.00 175.17 174.83 1xsk n PHE 417 N -2.98 -0.74 0.00 -5.34 3.01 -1.26 -4.31 117.46 105.84 1xsk n PHE 417 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1xsk n PHE 417 Cb 0.56 0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 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 0.94 0.13 1.37 0.00 -1.26 -4.29 105.19 102.08 1xsk n GLY 418 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.37 0.72 -1.47 1.61 0.00 -1.26 -4.29 120.64 114.58 1xsk n GLU 419 Ca 0.00 0.23 -0.40 0.00 0.00 0.00 0.00 57.16 56.99 1xsk n GLU 419 Cb 0.00 -1.66 -0.02 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 -3.39 3.45 -3.10 3.44 1.74 -1.26 -4.49 116.66 113.04 1xsk n ARG 420 Ca -0.35 -2.37 -0.40 0.00 -0.77 0.00 0.00 57.85 53.96 1xsk n ARG 420 Cb 1.03 -2.96 -0.06 0.00 -1.02 0.00 0.00 32.46 29.46 1xsk n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xsk s ILE 421 N 2.43 5.02 0.62 0.55 -1.09 -1.26 -5.05 121.20 122.41 1xsk s ILE 421 Ca 0.62 1.23 -0.15 0.00 -2.23 0.00 0.00 60.65 60.11 1xsk s ILE 421 Cb 0.17 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1xsk s ILE 421 CO -0.07 0.12 1.08 -2.16 -1.23 0.00 0.00 174.94 172.68 1xsk s PRO 422 N 1.82 3.12 -0.01 2.79 0.04 -1.26 -4.80 135.00 136.70 1xsk s PRO 422 Ca 0.30 1.27 0.15 0.00 0.04 0.00 0.00 61.00 62.76 1xsk s PRO 422 Cb -0.16 -2.00 -0.21 0.00 0.04 0.00 0.00 34.50 32.17 1xsk s PRO 422 CO 0.11 -0.98 0.43 0.25 0.04 0.00 0.00 177.00 176.85 1xsk n THR 423 N -2.19 0.00 -1.69 1.26 -2.24 -1.26 -4.62 114.28 103.54 1xsk n THR 423 Ca 0.09 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 1xsk n THR 423 Cb 0.53 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.82 7.81 -2.67 3.42 3.85 -1.26 -4.74 116.55 121.14 1xsk n ASP 424 Ca -0.01 -2.97 -0.14 0.00 -0.71 0.00 0.00 54.79 50.96 1xsk n ASP 424 Cb 0.35 -1.39 -0.05 0.00 -1.35 0.00 0.00 41.12 38.67 1xsk n ASP 424 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 1xsk n VAL 425 N 2.10 0.00 -3.51 2.12 0.24 -1.26 -4.51 118.33 113.50 1xsk n VAL 425 Ca 0.63 -1.62 -0.25 0.00 -2.04 0.00 0.00 64.34 61.06 1xsk n VAL 425 Cb 0.33 0.74 -0.14 0.00 -1.47 0.00 0.00 33.84 33.31 1xsk n VAL 425 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1xsk s GLN 426 N -2.95 0.20 0.75 7.34 0.74 -0.09 -4.65 119.66 121.00 1xsk s GLN 426 Ca 0.23 -0.33 -0.13 0.00 0.05 0.00 0.00 55.36 55.18 1xsk s GLN 426 Cb 0.01 -1.13 0.05 0.00 1.10 0.00 0.00 33.01 33.04 1xsk s GLN 426 CO 0.16 -0.95 1.14 -1.58 -0.55 0.00 0.00 175.29 173.51 1xsk s TRP 427 N 2.18 2.28 0.15 1.67 0.52 -1.26 -4.26 118.94 120.22 1xsk s TRP 427 Ca 0.08 1.61 -0.16 0.00 0.02 0.00 0.00 56.10 57.64 1xsk s TRP 427 Cb -0.15 -3.26 0.06 0.00 -1.15 0.00 0.00 33.47 28.97 1xsk s TRP 427 CO -0.31 -2.16 1.74 0.35 0.02 0.00 0.00 176.95 176.59 1xsk h PHE 428 N -0.62 0.15 -0.04 -1.98 3.57 -1.93 -1.89 116.94 114.19 1xsk h PHE 428 Ca -0.46 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1xsk h PHE 428 Cb 1.26 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1xsk h PHE 428 CO 0.52 0.04 0.00 -0.40 -2.23 0.00 0.00 178.31 176.24 1xsk n ASP 429 N -5.07 0.56 -0.90 0.41 5.68 -1.25 -4.91 116.55 111.07 1xsk n ASP 429 Ca 0.01 -1.42 -0.11 0.00 -0.50 0.00 0.00 54.79 52.77 1xsk n ASP 429 Cb 0.14 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.06 1xsk n ASP 429 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsk n GLY 430 N 0.95 0.96 3.37 6.12 0.00 -0.71 -5.00 105.19 110.88 1xsk n GLY 430 Ca 0.17 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 0.21 -2.27 -4.61 1.61 7.64 -1.26 -4.91 113.62 110.03 1xsk n SER 431 Ca -0.11 -0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.10 1xsk n SER 431 Cb 0.40 -1.12 -0.04 0.00 -1.01 0.00 0.00 64.21 62.44 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 -2.25 6.69 0.38 6.43 -1.08 -0.02 -4.70 116.67 122.11 1xsk s ASP 432 Ca 0.64 0.63 0.15 0.00 -0.52 0.00 0.00 52.55 53.46 1xsk s ASP 432 Cb -0.20 -2.45 1.02 0.00 -1.46 0.00 0.00 42.92 39.83 1xsk s ASP 432 CO 0.64 -0.76 1.79 -0.65 0.52 0.00 0.00 175.17 176.71 1xsk h PRO 433 N 8.31 0.46 0.00 4.34 0.11 -1.89 0.55 132.00 143.88 1xsk h PRO 433 Ca -0.23 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 1xsk h PRO 433 Cb 1.08 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1xsk h PRO 433 CO 0.95 0.31 -0.17 1.96 -0.21 0.00 0.00 178.00 180.83 1xsk h GLN 434 N 0.48 0.00 0.00 1.05 1.08 -1.92 -2.75 115.11 113.05 1xsk h GLN 434 Ca 0.56 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.54 1xsk h GLN 434 Cb 1.29 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.68 1xsk h GLN 434 CO -0.29 0.17 -1.85 1.63 -0.95 0.00 0.00 178.83 177.54 1xsk n LYS 435 N -4.08 0.65 0.20 1.46 5.02 0.05 -4.06 118.16 117.40 1xsk n LYS 435 Ca -0.02 0.10 0.06 0.00 -2.02 0.00 0.00 58.31 56.42 1xsk n LYS 435 Cb 0.25 -1.67 0.42 0.00 -0.02 0.00 0.00 35.03 34.01 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 0.00 -0.18 1.97 2.86 -0.97 -3.03 114.93 115.58 1xsk h MET 436 Ca -0.28 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1xsk h MET 436 Cb 1.77 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.36 1xsk h MET 436 CO 0.04 0.33 -0.47 1.25 1.06 0.00 0.00 176.91 179.11 1xsk h HIS 437 N 0.00 -1.37 0.06 -0.22 -0.00 -1.65 -0.13 115.15 111.84 1xsk h HIS 437 Ca -0.00 0.06 -0.21 0.00 -0.00 0.00 0.00 60.37 60.21 1xsk h HIS 437 Cb 0.70 0.63 0.02 0.00 -0.00 0.00 0.00 27.41 28.75 1xsk h HIS 437 CO 0.00 -0.50 -0.87 -0.91 -0.00 0.00 0.00 177.93 175.65 1xsk h ASN 438 N -0.50 0.66 0.23 3.26 2.35 -1.78 -3.32 115.58 116.47 1xsk h ASN 438 Ca 0.07 -0.81 -0.00 0.00 -0.55 0.00 0.00 56.30 55.00 1xsk h ASN 438 Cb 0.64 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1xsk h ASN 438 CO -0.44 1.40 -0.02 -0.74 -1.65 0.00 0.00 177.43 175.98 1xsk h HIS 439 N 0.00 0.00 -0.54 1.19 2.76 -1.42 -2.75 115.15 114.39 1xsk h HIS 439 Ca -0.13 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.13 1xsk h HIS 439 Cb 1.59 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.48 1xsk h HIS 439 CO 0.14 0.02 0.16 -0.92 -1.30 0.00 0.00 177.93 176.03 1xsk h TYR 440 N 0.00 0.27 -0.97 5.26 3.20 -1.11 -0.19 116.97 123.43 1xsk h TYR 440 Ca -0.00 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.09 1xsk h TYR 440 Cb 0.14 -0.04 -0.11 0.00 1.54 0.00 0.00 36.73 38.27 1xsk h TYR 440 CO 0.00 0.05 0.57 0.00 -1.64 0.00 0.00 178.16 177.13 1xsk h ALA 441 N 1.39 1.59 0.19 1.82 0.00 -1.67 0.22 119.26 122.80 1xsk h ALA 441 Ca 0.27 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1xsk h ALA 441 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xsk h ALA 441 CO -0.31 -0.08 -0.09 -0.92 0.00 0.00 0.00 179.25 177.85 1xsk h TYR 442 N 0.71 -0.24 -0.40 0.00 3.20 -1.22 -1.97 116.97 117.05 1xsk h TYR 442 Ca 0.56 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.47 1xsk h TYR 442 Cb 0.88 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 1xsk h TYR 442 CO -0.03 0.09 0.14 0.82 -1.64 0.00 0.00 178.16 177.54 1xsk h ILE 443 N -0.58 0.88 0.30 1.81 1.08 -0.50 0.17 117.51 120.67 1xsk h ILE 443 Ca -0.03 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1xsk h ILE 443 Cb 0.43 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 1xsk h ILE 443 CO 0.04 0.06 -0.50 0.22 -0.69 0.00 0.00 178.15 177.28 1xsk h TYR 444 N 0.30 -1.43 -0.21 1.37 -0.00 -0.60 -1.09 116.97 115.31 1xsk h TYR 444 Ca 0.18 0.03 -0.06 0.00 -0.00 0.00 0.00 58.73 58.88 1xsk h TYR 444 Cb 0.17 0.58 -0.01 0.00 -0.00 0.00 0.00 36.73 37.47 1xsk h TYR 444 CO -0.15 -0.62 -0.14 -0.91 -0.00 0.00 0.00 178.16 176.35 1xsk h ASN 445 N -0.85 0.34 -0.55 -2.11 2.35 -1.22 -2.77 115.58 110.77 1xsk h ASN 445 Ca -0.03 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 1xsk h ASN 445 Cb 0.79 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1xsk h ASN 445 CO -0.17 0.50 0.13 -0.08 -1.65 0.00 0.00 177.43 176.16 1xsk h GLU 446 N 0.33 0.88 -0.10 0.81 4.81 -0.34 0.83 114.58 121.81 1xsk h GLU 446 Ca 0.06 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1xsk h GLU 446 Cb 0.44 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1xsk h GLU 446 CO 0.03 0.83 0.04 1.25 -0.73 0.00 0.00 179.01 180.43 1xsk h LEU 447 N 0.78 0.06 0.50 1.64 6.46 -0.99 -1.06 115.31 122.70 1xsk h LEU 447 Ca 0.17 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1xsk h LEU 447 Cb 0.35 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1xsk h LEU 447 CO 0.00 0.05 -0.24 0.58 -0.62 0.00 0.00 178.44 178.21 1xsk h VAL 448 N 0.10 0.51 -0.71 1.05 2.07 -1.32 -2.71 116.25 115.23 1xsk h VAL 448 Ca 0.04 -0.03 0.16 0.00 0.82 0.00 0.00 66.70 67.69 1xsk h VAL 448 Cb 0.02 0.52 -0.12 0.00 -1.52 0.00 0.00 31.29 30.19 1xsk h VAL 448 CO -0.04 0.01 0.03 -0.25 0.02 0.00 0.00 177.57 177.34 1xsk h TRP 449 N -0.69 0.00 0.00 1.57 2.91 -0.72 0.18 115.95 119.20 1xsk h TRP 449 Ca -0.07 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1xsk h TRP 449 Cb 0.53 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.29 1xsk h TRP 449 CO -0.04 -0.20 0.00 -0.91 -1.03 0.00 0.00 178.44 176.27 1xsk h ASN 450 N 0.13 0.00 -0.20 2.65 2.35 -0.99 -1.07 115.58 118.45 1xsk h ASN 450 Ca 0.39 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.99 1xsk h ASN 450 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1xsk h ASN 450 CO -0.60 0.00 -0.44 0.58 -1.65 0.00 0.00 177.43 175.32 1xsk h VAL 451 N 0.00 1.32 -0.21 2.81 2.07 -0.32 -1.71 116.25 120.21 1xsk h VAL 451 Ca 0.00 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 65.81 1xsk h VAL 451 Cb 0.28 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1xsk h VAL 451 CO 0.00 0.52 -0.03 -0.07 0.02 0.00 0.00 177.57 178.01 1xsk h LEU 452 N 0.33 0.39 -0.71 2.57 4.07 -1.16 -1.85 115.31 118.95 1xsk h LEU 452 Ca 0.00 -0.34 0.13 0.00 0.08 0.00 0.00 57.88 57.75 1xsk h LEU 452 Cb 1.04 -0.11 -0.09 0.00 1.08 0.00 0.00 40.66 42.59 1xsk h LEU 452 CO 0.10 0.64 0.25 0.11 -1.08 0.00 0.00 178.44 178.45 1xsk h LYS 453 N 0.13 0.37 0.00 1.13 1.57 -1.21 -0.20 116.57 118.37 1xsk h LYS 453 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xsk h LYS 453 Cb 0.46 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1xsk h LYS 453 CO 0.02 0.25 0.00 -0.25 -0.57 0.00 0.00 179.45 178.89 1xsk n ASP 454 N -5.04 0.00 0.03 0.86 8.00 -0.65 -3.34 116.55 116.41 1xsk n ASP 454 Ca 0.13 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1xsk n ASP 454 Cb 0.39 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.33 0.56 1.33 -3.53 -2.24 -0.24 -4.82 114.28 104.01 1xsk n THR 455 Ca 0.12 0.19 0.14 0.00 -2.27 0.00 0.00 64.05 62.23 1xsk n THR 455 Cb 0.25 -1.23 0.55 0.00 -2.10 0.00 0.00 70.33 67.81 1xsk n THR 455 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1xsk n VAL 456 N -2.98 0.00 0.00 2.28 0.24 -0.32 -5.03 118.33 112.52 1xsk n VAL 456 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1xsk n VAL 456 Cb 0.00 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 1xsk n VAL 456 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xsk n GLY 457 N 1.32 0.18 0.37 7.63 0.00 -0.67 -4.33 105.19 109.69 1xsk n GLY 457 Ca 0.13 -1.42 0.18 0.00 0.00 0.00 0.00 46.02 44.91 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 0.54 0.00 1.61 4.81 -1.78 0.75 114.58 120.51 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 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1xsk h GLU 458 CO 0.00 0.36 -0.14 0.93 -0.73 0.00 0.00 179.01 179.42 1xsk h GLU 459 N 0.55 0.00 0.00 1.92 3.07 -1.91 -2.83 114.58 115.38 1xsk h GLU 459 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 1xsk h GLU 459 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1xsk h GLU 459 CO -0.36 0.14 -0.77 0.39 -1.40 0.00 0.00 179.01 177.01 1xsk n GLU 460 N -3.33 0.14 -1.92 2.33 -0.58 0.22 -3.68 120.64 113.82 1xsk n GLU 460 Ca -0.00 0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.34 1xsk n GLU 460 Cb 0.37 -1.56 -0.01 0.00 -0.57 0.00 0.00 31.44 29.67 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 -3.09 3.54 -0.22 0.62 0.00 -0.95 -4.77 121.76 116.89 1xsk s ALA 461 Ca 0.07 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 1xsk s ALA 461 Cb 0.16 -3.56 0.16 0.00 0.00 0.00 0.00 23.12 19.88 1xsk s ALA 461 CO 0.76 -0.90 1.18 0.54 0.00 0.00 0.00 175.76 177.34 1xsk s VAL 462 N -1.13 0.00 0.34 0.00 0.11 -1.26 -4.41 120.40 114.06 1xsk s VAL 462 Ca 0.51 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.64 1xsk s VAL 462 Cb -0.44 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.38 1xsk s VAL 462 CO 0.59 0.00 0.28 -0.76 -3.33 0.00 0.00 175.10 171.88 1xsk s LEU 463 N -1.08 1.81 -0.39 2.54 1.43 -1.19 -4.05 118.68 117.75 1xsk s LEU 463 Ca 0.04 -1.79 0.01 0.00 -1.03 0.00 0.00 54.13 51.36 1xsk s LEU 463 Cb -0.01 0.53 0.14 0.00 0.03 0.00 0.00 46.19 46.89 1xsk s LEU 463 CO -0.03 -1.08 0.23 -0.36 0.23 0.00 0.00 176.35 175.34 1xsk s PHE 464 N -3.38 1.19 -0.11 0.29 0.40 -1.09 -4.45 117.98 110.82 1xsk s PHE 464 Ca 0.40 -1.94 -0.12 0.00 -0.60 0.00 0.00 56.93 54.67 1xsk s PHE 464 Cb 0.02 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.24 1xsk s PHE 464 CO 0.28 -0.81 0.28 0.00 0.70 0.00 0.00 175.22 175.67 1xsk s ALA 465 N 0.76 3.69 -0.09 5.36 0.00 -0.99 -2.10 121.76 128.39 1xsk s ALA 465 Ca 0.19 -0.45 0.09 0.00 0.00 0.00 0.00 51.96 51.78 1xsk s ALA 465 Cb -0.22 -2.28 -0.24 0.00 0.00 0.00 0.00 23.12 20.38 1xsk s ALA 465 CO -0.00 0.31 0.49 -2.13 0.00 0.00 0.00 175.76 174.43 1xsk n ARG 466 N 2.79 0.67 -4.37 0.00 0.63 -1.11 -0.11 116.66 115.15 1xsk n ARG 466 Ca -0.14 0.25 -0.24 0.00 -0.92 0.00 0.00 57.85 56.79 1xsk n ARG 466 Cb 0.53 -1.73 -0.09 0.00 0.45 0.00 0.00 32.46 31.62 1xsk n ARG 466 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1xsk s SER 467 N -6.24 4.09 0.11 6.15 1.04 -1.26 -4.46 113.70 113.13 1xsk s SER 467 Ca -0.10 -0.98 -0.26 0.00 0.48 0.00 0.00 55.95 55.10 1xsk s SER 467 Cb 0.07 -0.52 0.07 0.00 0.10 0.00 0.00 66.02 65.75 1xsk s SER 467 CO 0.80 -0.16 0.84 0.00 0.98 0.00 0.00 173.24 175.70 1xsk s ALA 468 N -2.50 -1.66 0.22 5.32 0.00 -1.21 -4.94 121.76 116.99 1xsk s ALA 468 Ca 0.33 0.47 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 1xsk s ALA 468 Cb -0.01 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1xsk s ALA 468 CO 0.18 -0.86 0.30 0.45 0.00 0.00 0.00 175.76 175.83 1xsk s SER 469 N -2.74 0.04 -0.29 0.00 0.15 -1.26 -3.67 113.70 105.93 1xsk s SER 469 Ca 0.07 -1.13 -0.40 0.00 0.70 0.00 0.00 55.95 55.20 1xsk s SER 469 Cb -0.02 0.47 -0.15 0.00 -1.71 0.00 0.00 66.02 64.61 1xsk s SER 469 CO -0.04 -0.98 1.79 0.52 1.20 0.00 0.00 173.24 175.73 1xsk n VAL 470 N -0.31 0.31 0.00 4.45 0.31 -1.26 -0.60 118.33 121.23 1xsk n VAL 470 Ca -0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1xsk n VAL 470 Cb 0.64 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 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 4.41 1.91 0.18 2.92 0.00 -1.26 -4.54 105.19 108.81 1xsk n GLY 471 Ca 0.28 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.44 1xsk n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsk h ALA 472 N 0.00 1.00 0.00 4.61 0.00 -1.18 -3.00 119.26 120.70 1xsk h ALA 472 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsk h ALA 472 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xsk h ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1xsk n GLN 473 N -2.54 0.00 0.00 0.00 0.00 -1.26 -1.01 117.38 112.57 1xsk n GLN 473 Ca 0.02 0.47 0.15 0.00 0.00 0.00 0.00 57.00 57.64 1xsk n GLN 473 Cb 0.26 -1.50 0.79 0.00 0.00 0.00 0.00 30.24 29.78 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 -1.48 0.52 -3.36 2.61 5.02 -1.13 -3.86 118.16 116.48 1xsk n LYS 474 Ca 0.00 -0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1xsk n LYS 474 Cb 0.01 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.24 3.72 -0.81 2.13 3.72 -0.18 -4.09 117.46 120.71 1xsk n PHE 475 Ca 0.16 -4.14 -0.25 0.00 -0.05 0.00 0.00 57.45 53.17 1xsk n PHE 475 Cb 0.22 -0.55 0.01 0.00 -0.94 0.00 0.00 39.48 38.21 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 0.71 0.00 -2.35 -1.08 -0.04 -1.25 -4.75 135.00 126.23 1xsk n PRO 476 Ca 0.30 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.72 1xsk n PRO 476 Cb 0.41 -0.64 -0.03 0.00 -0.04 0.00 0.00 33.50 33.19 1xsk n PRO 476 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1xsk n VAL 477 N -0.95-11.33 -4.37 0.52 3.14 -1.25 -3.16 118.33 100.93 1xsk n VAL 477 Ca 0.05 2.39 -0.35 0.00 -2.96 0.00 0.00 64.34 63.48 1xsk n VAL 477 Cb 0.30 -5.96 -0.10 0.00 -1.06 0.00 0.00 33.84 27.02 1xsk n VAL 477 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1xsk s HIS 478 N -0.54 3.13 -0.17 1.45 3.76 -1.05 -2.35 115.29 119.53 1xsk s HIS 478 Ca -0.20 0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 54.70 1xsk s HIS 478 Cb 0.01 -1.83 -0.05 0.00 1.11 0.00 0.00 32.58 31.82 1xsk s HIS 478 CO 0.54 0.36 0.20 -0.46 -0.85 0.00 0.00 174.74 174.53 1xsk s TRP 479 N -0.59 3.46 -0.50 1.40 -0.00 0.84 -0.89 118.94 122.66 1xsk s TRP 479 Ca 0.10 0.48 0.09 0.00 -0.00 0.00 0.00 56.10 56.76 1xsk s TRP 479 Cb -0.12 -2.21 0.50 0.00 -0.00 0.00 0.00 33.47 31.64 1xsk s TRP 479 CO 0.02 0.33 1.23 0.41 -0.00 0.00 0.00 176.95 178.94 1xsk n GLY 480 N 3.25 -0.60 2.67 5.86 0.00 0.12 -4.57 105.19 111.92 1xsk n GLY 480 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.36 -1.81 3.54 -0.02 0.00 -1.26 -4.85 105.19 99.42 1xsk n GLY 481 Ca -0.01 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 6.35 0.08 1.61 1.01 -1.26 -4.75 116.67 115.71 1xsk s ASP 482 Ca 0.00 -0.25 0.07 0.00 0.71 0.00 0.00 52.55 53.08 1xsk s ASP 482 Cb 0.00 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 1xsk s ASP 482 CO 0.00 -1.40 -0.11 0.00 0.21 0.00 0.00 175.17 173.86 1xsk s TYR 484 N -1.13 2.97 -1.27 0.00 2.02 -1.26 0.05 117.35 118.72 1xsk s TYR 484 Ca 0.19 1.09 -0.05 0.00 -0.37 0.00 0.00 57.07 57.94 1xsk s TYR 484 Cb -0.11 -3.14 0.16 0.00 -0.40 0.00 0.00 41.96 38.47 1xsk s TYR 484 CO 0.11 -1.63 2.26 0.00 -1.57 0.00 0.00 175.55 174.72 1xsk n ALA 485 N -3.32 6.61 -2.88 3.71 0.00 -1.26 -4.63 120.51 118.74 1xsk n ALA 485 Ca 0.07 -4.19 -0.11 0.00 0.00 0.00 0.00 53.44 49.21 1xsk n ALA 485 Cb 0.57 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 1xsk n ALA 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsk s ASN 486 N 0.08 0.10 0.09 0.00 2.20 -1.26 -4.57 114.94 111.58 1xsk s ASN 486 Ca 0.51 -1.12 -0.16 0.00 -0.94 0.00 0.00 52.86 51.14 1xsk s ASN 486 Cb 0.18 0.54 -0.09 0.00 -2.00 0.00 0.00 41.25 39.88 1xsk s ASN 486 CO -0.09 -1.08 1.43 1.88 -2.94 0.00 0.00 177.10 176.29 1xsk h TYR 487 N 2.33 0.72 -0.94 1.54 0.05 -1.91 -1.67 116.97 117.09 1xsk h TYR 487 Ca -0.29 -0.20 0.13 0.00 0.05 0.00 0.00 58.73 58.42 1xsk h TYR 487 Cb 1.25 -0.16 -0.09 0.00 1.01 0.00 0.00 36.73 38.74 1xsk h TYR 487 CO 0.52 0.89 0.57 0.93 -1.05 0.00 0.00 178.16 180.03 1xsk h GLU 488 N 0.34 0.85 0.00 4.88 3.07 -1.97 0.92 114.58 122.66 1xsk h GLU 488 Ca 0.05 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1xsk h GLU 488 Cb 0.74 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1xsk h GLU 488 CO 0.05 0.56 -0.46 1.03 -1.40 0.00 0.00 179.01 178.79 1xsk h SER 489 N 0.87 0.00 -0.13 1.42 0.87 -1.83 -1.06 113.55 113.68 1xsk h SER 489 Ca 0.48 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.89 1xsk h SER 489 Cb 0.54 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1xsk h SER 489 CO -0.29 0.46 -0.44 -0.03 -0.53 0.00 0.00 176.83 176.01 1xsk h MET 490 N 0.00 0.68 -0.24 2.24 -1.53 0.08 -2.56 114.93 113.60 1xsk h MET 490 Ca -0.00 -0.37 -0.11 0.00 -3.44 0.00 0.00 59.70 55.78 1xsk h MET 490 Cb 1.09 0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 32.16 1xsk h MET 490 CO 0.06 0.98 -0.26 0.00 0.14 0.00 0.00 176.91 177.83 1xsk h ALA 491 N 0.96 0.36 -0.93 0.39 0.00 -0.86 -2.43 119.26 116.76 1xsk h ALA 491 Ca 0.04 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.66 1xsk h ALA 491 Cb 0.98 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1xsk h ALA 491 CO 0.09 0.35 0.60 0.93 0.00 0.00 0.00 179.25 181.22 1xsk h GLU 492 N 0.32 0.91 -0.45 0.00 5.08 -1.17 -1.28 114.58 117.99 1xsk h GLU 492 Ca 0.04 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1xsk h GLU 492 Cb 0.83 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1xsk h GLU 492 CO 0.06 0.60 -0.19 1.03 -1.00 0.00 0.00 179.01 179.52 1xsk h SER 493 N 0.94 0.90 -0.33 1.42 0.87 -1.27 -2.37 113.55 113.70 1xsk h SER 493 Ca 0.43 -0.32 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1xsk h SER 493 Cb 0.40 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1xsk h SER 493 CO -0.19 1.06 0.00 0.25 -0.53 0.00 0.00 176.83 177.42 1xsk h LEU 494 N 0.78 0.57 -1.10 2.23 5.85 -0.80 -1.85 115.31 120.99 1xsk h LEU 494 Ca 0.11 -0.30 0.13 0.00 0.84 0.00 0.00 57.88 58.65 1xsk h LEU 494 Cb 0.72 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 1xsk h LEU 494 CO 0.06 0.74 0.61 0.03 -0.34 0.00 0.00 178.44 179.53 1xsk h ARG 495 N 0.39 0.87 -0.35 1.25 3.08 -1.14 0.76 114.38 119.24 1xsk h ARG 495 Ca 0.09 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 1xsk h ARG 495 Cb 0.44 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1xsk h ARG 495 CO 0.02 0.58 -0.31 0.78 -1.07 0.00 0.00 179.97 179.96 1xsk h GLY 496 N 0.90 0.91 1.10 0.04 0.00 -1.13 -1.35 103.07 103.54 1xsk h GLY 496 Ca 0.48 -0.91 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1xsk h GLY 496 CO -0.25 0.82 0.21 -1.33 0.00 0.00 0.00 176.54 175.99 1xsk h GLY 497 N 0.62 1.20 0.86 4.60 0.00 -0.36 -1.52 103.07 108.47 1xsk h GLY 497 Ca 0.06 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 1xsk h GLY 497 CO 0.08 0.67 0.05 1.41 0.00 0.00 0.00 176.54 178.75 1xsk h LEU 498 N 1.07 0.32 -1.08 3.11 3.38 -0.84 -3.01 115.31 118.27 1xsk h LEU 498 Ca 0.23 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1xsk h LEU 498 Cb 0.32 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1xsk h LEU 498 CO -0.00 0.47 0.62 0.28 0.09 0.00 0.00 178.44 179.90 1xsk h SER 499 N 0.16 0.93 0.48 -0.43 0.02 -0.91 -1.89 113.55 111.90 1xsk h SER 499 Ca 0.07 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1xsk h SER 499 Cb 0.28 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1xsk h SER 499 CO 0.00 0.55 -0.55 -0.29 -1.14 0.00 0.00 176.83 175.40 1xsk h ILE 500 N 1.03 1.39 -0.24 3.27 2.10 -1.21 -2.27 117.51 121.58 1xsk h ILE 500 Ca 0.44 -1.88 -0.13 0.00 1.08 0.00 0.00 64.86 64.37 1xsk h ILE 500 Cb 0.33 1.98 -0.01 0.00 -1.09 0.00 0.00 36.82 38.03 1xsk h ILE 500 CO -0.19 0.54 -0.41 1.23 -1.08 0.00 0.00 178.15 178.24 1xsk h GLY 501 N 1.57 0.63 0.66 8.18 0.00 -1.24 -1.47 103.07 111.41 1xsk h GLY 501 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1xsk h GLY 501 CO 0.08 0.57 0.00 1.04 0.00 0.00 0.00 176.54 178.22 1xsk n LEU 502 N -4.03 0.00 -0.07 3.11 4.77 -0.79 -2.67 117.00 117.32 1xsk n LEU 502 Ca -0.02 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.04 1xsk n LEU 502 Cb 0.52 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.71 1xsk n LEU 502 CO 0.45 0.00 0.54 -1.20 -1.33 0.00 0.00 177.39 175.86 1xsk n SER 503 N -0.83 2.19 0.00 -1.43 7.64 -0.65 -4.45 113.62 116.10 1xsk n SER 503 Ca 0.12 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 57.18 1xsk n SER 503 Cb 0.05 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.19 0.66 3.65 0.23 0.00 -1.09 -4.92 105.19 102.53 1xsk n GLY 504 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.31 3.32 -0.59 1.61 0.08 -0.66 -4.73 117.98 114.69 1xsk s PHE 505 Ca 0.00 0.37 0.24 0.00 0.12 0.00 0.00 56.93 57.66 1xsk s PHE 505 Cb 0.00 -2.40 0.36 0.00 -0.57 0.00 0.00 43.02 40.42 1xsk s PHE 505 CO 0.00 -0.01 1.36 0.78 -0.10 0.00 0.00 175.22 177.25 1xsk h GLY 506 N 7.75 0.00 -6.08 4.36 0.00 -1.86 -3.33 103.07 103.91 1xsk h GLY 506 Ca -0.36 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.65 1xsk h GLY 506 CO 0.67 0.00 -0.74 -1.36 0.00 0.00 0.00 176.54 175.10 1xsk s PHE 507 N -3.18 0.27 -0.01 5.60 0.08 -1.26 -2.78 117.98 116.70 1xsk s PHE 507 Ca 0.06 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.11 1xsk s PHE 507 Cb 0.12 -0.31 0.01 0.00 -0.57 0.00 0.00 43.02 42.27 1xsk s PHE 507 CO 0.71 -0.08 -0.01 -0.46 -0.10 0.00 0.00 175.22 175.28 1xsk s TRP 508 N 0.65 0.21 0.23 0.36 -0.00 -1.26 -2.53 118.94 116.60 1xsk s TRP 508 Ca -0.06 -0.01 0.09 0.00 -0.00 0.00 0.00 56.10 56.12 1xsk s TRP 508 Cb -0.09 -0.23 -0.05 0.00 -0.00 0.00 0.00 33.47 33.10 1xsk s TRP 508 CO -0.01 -0.05 -0.17 -1.54 -0.00 0.00 0.00 176.95 175.18 1xsk s SER 509 N 0.41 2.94 0.17 5.86 1.04 -0.07 -3.28 113.70 120.77 1xsk s SER 509 Ca -0.04 -1.01 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 1xsk s SER 509 Cb -0.06 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1xsk s SER 509 CO -0.01 -0.08 0.37 -1.38 0.98 0.00 0.00 173.24 173.12 1xsk s HIS 510 N -2.70 0.17 -0.13 5.02 -3.43 -1.24 0.16 115.29 113.13 1xsk s HIS 510 Ca 0.24 -0.53 -0.17 0.00 -0.80 0.00 0.00 55.06 53.81 1xsk s HIS 510 Cb -0.03 0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 1xsk s HIS 510 CO 0.10 -0.78 0.42 -0.51 -2.00 0.00 0.00 174.74 171.96 1xsk s ASP 511 N -2.92 6.60 -0.05 7.38 1.01 -1.26 -3.37 116.67 124.06 1xsk s ASP 511 Ca 0.13 0.72 -0.30 0.00 0.71 0.00 0.00 52.55 53.81 1xsk s ASP 511 Cb 0.02 -2.25 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 1xsk s ASP 511 CO -0.02 0.03 1.43 -0.63 0.21 0.00 0.00 175.17 176.19 1xsk s ILE 512 N 0.57 3.81 0.00 0.77 1.01 0.39 -2.48 121.20 125.28 1xsk s ILE 512 Ca 0.23 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1xsk s ILE 512 Cb -0.14 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1xsk s ILE 512 CO 0.08 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1xsk n GLY 513 N 3.74 3.06 0.00 6.18 0.00 -1.26 -3.84 105.19 113.08 1xsk n GLY 513 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.47 -1.40 0.31 -0.02 0.00 -1.03 -4.44 105.19 98.15 1xsk n GLY 514 Ca 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.22 0.00 -1.18 1.61 -0.00 0.11 -3.89 117.46 113.88 1xsk n PHE 515 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.36 1xsk n PHE 515 Cb 0.00 -0.07 0.06 0.00 -0.00 0.00 0.00 39.48 39.47 1xsk n PHE 515 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1xsk n GLU 516 N -2.84 -0.56 -0.99 -4.13 -0.58 -1.16 -2.41 120.64 107.98 1xsk n GLU 516 Ca -0.02 -0.59 0.09 0.00 -0.42 0.00 0.00 57.16 56.22 1xsk n GLU 516 Cb 0.07 -0.41 -0.04 0.00 -0.57 0.00 0.00 31.44 30.49 1xsk n GLU 516 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xsk n ASN 517 N -3.29 -4.35 -4.31 1.62 4.13 -1.26 -4.06 115.26 103.74 1xsk n ASN 517 Ca 0.05 0.60 -0.37 0.00 1.68 0.00 0.00 54.58 56.53 1xsk n ASN 517 Cb 0.17 -3.20 -0.13 0.00 -1.54 0.00 0.00 39.78 35.08 1xsk n ASN 517 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xsk s THR 518 N -3.58 3.84 -0.00 3.41 2.01 -1.26 -4.77 115.64 115.28 1xsk s THR 518 Ca 0.00 -0.90 -0.21 0.00 0.31 0.00 0.00 61.69 60.89 1xsk s THR 518 Cb 0.00 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 1xsk s THR 518 CO 0.00 -0.03 0.63 0.00 -0.69 0.00 0.00 174.62 174.53 1xsk s ALA 519 N 1.45 3.46 0.74 7.40 0.00 -1.26 -4.93 121.76 128.61 1xsk s ALA 519 Ca 0.01 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 1xsk s ALA 519 Cb -0.18 -2.79 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1xsk s ALA 519 CO 0.02 0.13 1.14 -1.25 0.00 0.00 0.00 175.76 175.80 1xsk s PRO 520 N -0.09 2.24 0.24 0.00 0.04 -1.26 -4.75 135.00 131.42 1xsk s PRO 520 Ca 0.33 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 1xsk s PRO 520 Cb -0.18 -1.87 0.42 0.00 0.04 0.00 0.00 34.50 32.90 1xsk s PRO 520 CO 0.18 -1.70 1.65 0.00 0.04 0.00 0.00 177.00 177.16 1xsk h ALA 521 N -0.55 0.78 -0.56 8.56 0.00 -1.97 -1.86 119.26 123.67 1xsk h ALA 521 Ca -0.46 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1xsk h ALA 521 Cb 1.26 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1xsk h ALA 521 CO 0.50 -0.41 0.32 1.12 0.00 0.00 0.00 179.25 180.79 1xsk h HIS 522 N 0.13 0.75 -0.57 0.00 2.07 -1.98 0.72 115.15 116.27 1xsk h HIS 522 Ca 0.40 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 1xsk h HIS 522 Cb 0.69 -0.24 -0.03 0.00 2.57 0.00 0.00 27.41 30.40 1xsk h HIS 522 CO -0.38 0.53 0.36 0.28 -3.07 0.00 0.00 177.93 175.65 1xsk h VAL 523 N 0.75 1.16 -0.73 6.12 2.07 -1.76 -1.04 116.25 122.82 1xsk h VAL 523 Ca 0.20 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1xsk h VAL 523 Cb 0.02 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1xsk h VAL 523 CO -0.03 0.16 0.48 0.22 0.02 0.00 0.00 177.57 178.42 1xsk h TYR 524 N 0.77 0.91 -0.05 1.57 3.20 -0.80 -1.98 116.97 120.59 1xsk h TYR 524 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1xsk h TYR 524 Cb -0.05 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 37.91 1xsk h TYR 524 CO -0.03 0.56 0.01 0.87 -1.64 0.00 0.00 178.16 177.93 1xsk h LYS 525 N 0.97 0.08 -0.93 1.82 1.57 -0.39 -2.06 116.57 117.64 1xsk h LYS 525 Ca 0.27 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 1xsk h LYS 525 Cb -0.08 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.15 1xsk h LYS 525 CO -0.07 0.29 0.59 0.00 -0.57 0.00 0.00 179.45 179.69 1xsk h ARG 526 N -0.14 1.07 -0.11 3.15 2.47 -1.06 -1.86 114.38 117.91 1xsk h ARG 526 Ca 0.02 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.59 1xsk h ARG 526 Cb 0.24 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1xsk h ARG 526 CO 0.00 0.71 -0.29 2.35 0.56 0.00 0.00 179.97 183.29 1xsk h TRP 527 N 1.10 0.22 -0.72 3.04 2.91 -1.27 -2.94 115.95 118.29 1xsk h TRP 527 Ca 0.39 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.37 1xsk h TRP 527 Cb 0.12 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 28.68 1xsk h TRP 527 CO -0.02 0.48 0.47 0.00 -1.03 0.00 0.00 178.44 178.34 1xsk h ALA 529 N 1.25 -0.32 -0.99 0.00 0.00 -1.48 -1.89 119.26 115.83 1xsk h ALA 529 Ca 0.26 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1xsk h ALA 529 Cb -0.09 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1xsk h ALA 529 CO -0.05 -0.56 0.63 0.35 0.00 0.00 0.00 179.25 179.61 1xsk h PHE 530 N -0.55 1.13 -0.24 0.00 3.57 -1.35 -1.39 116.94 118.10 1xsk h PHE 530 Ca -0.03 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 1xsk h PHE 530 Cb 0.40 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1xsk h PHE 530 CO 0.00 0.47 -0.46 0.78 -2.23 0.00 0.00 178.31 176.87 1xsk h GLY 531 N 1.00 0.69 2.00 2.40 0.00 -0.47 -3.11 103.07 105.57 1xsk h GLY 531 Ca 0.48 -0.74 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 1xsk h GLY 531 CO -0.24 0.66 -0.77 1.41 0.00 0.00 0.00 176.54 177.60 1xsk h LEU 532 N 0.50 0.00 -4.08 3.11 -0.00 -0.90 -3.20 115.31 110.74 1xsk h LEU 532 Ca 0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.88 57.52 1xsk h LEU 532 Cb 1.00 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.51 1xsk h LEU 532 CO 0.09 0.77 0.28 0.18 -0.00 0.00 0.00 178.44 179.76 1xsk n LEU 533 N -3.51 6.27 -4.29 1.67 4.32 -0.57 -4.81 117.00 116.08 1xsk n LEU 533 Ca -0.00 -3.66 -0.15 0.00 -0.02 0.00 0.00 56.01 52.18 1xsk n LEU 533 Cb 0.77 -1.20 -0.10 0.00 -1.62 0.00 0.00 43.42 41.27 1xsk n LEU 533 CO 0.44 1.55 -0.27 -0.44 -1.22 0.00 0.00 177.39 177.44 1xsk s SER 534 N 0.57 1.13 0.19 -1.43 0.01 -1.21 -4.95 113.70 108.01 1xsk s SER 534 Ca 0.49 -1.33 -0.08 0.00 1.31 0.00 0.00 55.95 56.34 1xsk s SER 534 Cb 0.32 0.17 0.10 0.00 0.21 0.00 0.00 66.02 66.82 1xsk s SER 534 CO -0.12 -0.70 1.64 0.77 0.41 0.00 0.00 173.24 175.24 1xsk h SER 535 N 2.47 0.99 -3.56 2.44 4.64 -1.87 -3.43 113.55 115.24 1xsk h SER 535 Ca -0.38 -0.30 -0.37 0.00 -0.47 0.00 0.00 61.79 60.27 1xsk h SER 535 Cb 1.24 -0.27 -0.33 0.00 -0.31 0.00 0.00 62.40 62.73 1xsk h SER 535 CO 0.61 1.08 -0.76 -1.00 -0.87 0.00 0.00 176.83 175.88 1xsk s HIS 536 N -4.92 0.52 0.01 4.77 3.76 -1.20 -4.74 115.29 113.49 1xsk s HIS 536 Ca -0.11 -0.10 0.06 0.00 -0.15 0.00 0.00 55.06 54.76 1xsk s HIS 536 Cb 0.13 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 33.31 1xsk s HIS 536 CO 0.85 -0.13 -0.19 -1.12 -0.85 0.00 0.00 174.74 173.30 1xsk s SER 537 N 0.75 2.26 -0.07 1.40 0.01 -1.26 -3.71 113.70 113.08 1xsk s SER 537 Ca -0.09 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 56.74 1xsk s SER 537 Cb -0.12 -0.22 0.04 0.00 0.21 0.00 0.00 66.02 65.93 1xsk s SER 537 CO -0.01 0.20 0.16 -0.60 0.41 0.00 0.00 173.24 173.40 1xsk s ARG 538 N -0.72 0.09 -0.27 12.44 3.52 -1.22 -1.04 118.95 131.77 1xsk s ARG 538 Ca 0.07 0.43 -0.25 0.00 -0.13 0.00 0.00 55.73 55.85 1xsk s ARG 538 Cb -0.08 -0.19 -0.00 0.00 -1.56 0.00 0.00 34.95 33.12 1xsk s ARG 538 CO 0.00 -0.19 0.84 -0.51 -0.81 0.00 0.00 175.30 174.63 1xsk s LEU 539 N 1.40 4.07 0.00 -0.88 1.43 0.22 -0.46 118.68 124.46 1xsk s LEU 539 Ca -0.07 0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 53.81 1xsk s LEU 539 Cb -0.12 -3.19 0.06 0.00 0.03 0.00 0.00 46.19 42.97 1xsk s LEU 539 CO -0.06 -0.58 0.76 1.57 0.23 0.00 0.00 176.35 178.28 1xsk n HIS 540 N 6.14 -1.50 0.00 0.29 -0.00 -1.25 -1.64 115.22 117.26 1xsk n HIS 540 Ca 0.06 -1.17 0.00 0.00 0.46 0.00 0.00 57.72 57.06 1xsk n HIS 540 Cb 0.48 0.58 0.00 0.00 -0.12 0.00 0.00 29.99 30.92 1xsk n HIS 540 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xsk n GLY 541 N -0.53 1.37 0.00 1.57 0.00 -1.25 -4.48 105.19 101.87 1xsk n GLY 541 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xsk n GLY 541 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xsk n SER 542 N 0.00 0.00 0.00 1.61 2.88 -1.01 -4.15 113.62 112.95 1xsk n SER 542 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xsk n SER 542 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.12 0.00 -1.16 -1.46 5.02 -1.26 -2.19 118.16 115.98 1xsk n LYS 543 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1xsk n LYS 543 Cb 0.00 -0.07 0.06 0.00 -0.02 0.00 0.00 35.03 35.00 1xsk n LYS 543 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1xsk n SER 544 N -1.68 -2.65 -4.70 4.39 3.41 -1.26 -4.81 113.62 106.32 1xsk n SER 544 Ca 0.00 0.50 -0.41 0.00 -0.26 0.00 0.00 58.87 58.70 1xsk n SER 544 Cb 0.00 -1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 62.85 1xsk n SER 544 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1xsk s TYR 545 N -1.99 3.55 -0.05 7.33 5.04 -1.26 -4.73 117.35 125.24 1xsk s TYR 545 Ca 0.58 1.48 -0.01 0.00 -2.44 0.00 0.00 57.07 56.68 1xsk s TYR 545 Cb -0.33 -3.04 -0.02 0.00 0.35 0.00 0.00 41.96 38.91 1xsk s TYR 545 CO 0.65 -0.09 0.92 0.54 -1.34 0.00 0.00 175.55 176.23 1xsk n ARG 546 N 4.43 0.24 -4.07 4.97 5.12 -1.26 -4.78 116.66 121.32 1xsk n ARG 546 Ca 0.05 -0.28 -0.32 0.00 -1.93 0.00 0.00 57.85 55.37 1xsk n ARG 546 Cb 0.50 -1.72 -0.16 0.00 -1.16 0.00 0.00 32.46 29.92 1xsk n ARG 546 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1xsk s VAL 547 N 3.44 1.99 0.29 1.55 -7.23 -1.26 -5.01 120.40 114.17 1xsk s VAL 547 Ca 0.06 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 1xsk s VAL 547 Cb 0.03 -1.99 0.28 0.00 0.56 0.00 0.00 36.38 35.26 1xsk s VAL 547 CO -0.00 0.22 1.80 -0.65 -0.31 0.00 0.00 175.10 176.16 1xsk h PRO 548 N 7.88 0.82 0.00 4.82 0.11 -1.92 -0.78 132.00 142.93 1xsk h PRO 548 Ca -0.31 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1xsk h PRO 548 Cb 1.09 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1xsk h PRO 548 CO 0.53 0.54 0.00 -2.67 -0.21 0.00 0.00 178.00 176.19 1xsk n TRP 549 N -4.72 0.00 0.23 0.65 2.14 -1.26 -1.82 117.44 112.65 1xsk n TRP 549 Ca 0.21 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.88 1xsk n TRP 549 Cb 0.46 -0.31 0.48 0.00 -0.81 0.00 0.00 31.31 31.13 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 2.88 1.03 0.01 -1.67 0.00 -1.50 -3.28 119.26 116.72 1xsk h ALA 550 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xsk h ALA 550 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xsk h ALA 550 CO 0.00 0.27 -0.00 1.88 0.00 0.00 0.00 179.25 181.40 1xsk h TYR 551 N 0.00 -0.01 -2.13 0.00 -1.99 -1.50 -3.51 116.97 107.83 1xsk h TYR 551 Ca -0.00 -0.00 0.23 0.00 2.00 0.00 0.00 58.73 60.96 1xsk h TYR 551 Cb 0.72 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.38 1xsk h TYR 551 CO 0.00 -0.01 0.65 0.16 -0.00 0.00 0.00 178.16 178.97 1xsk s ASP 552 N -3.17 -0.07 0.35 3.88 1.47 -1.23 -5.03 116.67 112.88 1xsk s ASP 552 Ca -0.00 -0.39 0.15 0.00 1.18 0.00 0.00 52.55 53.49 1xsk s ASP 552 Cb 0.00 0.37 0.65 0.00 -0.34 0.00 0.00 42.92 43.60 1xsk s ASP 552 CO 0.00 -0.70 1.75 0.44 0.68 0.00 0.00 175.17 177.35 1xsk h ASP 553 N 2.00 0.00 -0.30 2.11 3.32 -1.88 -3.13 116.42 118.54 1xsk h ASP 553 Ca -0.27 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 1xsk h ASP 553 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1xsk h ASP 553 CO 0.30 0.43 0.19 -0.08 -1.72 0.00 0.00 179.24 178.36 1xsk h GLU 554 N 0.00 0.41 -0.90 3.56 4.81 -1.96 -1.14 114.58 119.36 1xsk h GLU 554 Ca -0.00 -0.03 0.26 0.00 -0.13 0.00 0.00 59.36 59.45 1xsk h GLU 554 Cb 0.84 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1xsk h GLU 554 CO 0.06 0.30 0.67 0.77 -0.73 0.00 0.00 179.01 180.07 1xsk h SER 555 N 0.40 0.00 0.15 1.04 0.02 -1.81 0.23 113.55 113.58 1xsk h SER 555 Ca 0.11 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.80 1xsk h SER 555 Cb -0.01 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.55 1xsk h SER 555 CO -0.02 0.00 -1.07 0.00 -1.14 0.00 0.00 176.83 174.60 1xsk h ASP 557 N 0.31 0.11 -0.38 0.00 3.32 -0.21 -1.25 116.42 118.32 1xsk h ASP 557 Ca -0.13 -0.35 0.08 0.00 0.02 0.00 0.00 57.03 56.66 1xsk h ASP 557 Cb 1.72 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 41.16 1xsk h ASP 557 CO 0.20 0.43 -0.21 0.58 -1.72 0.00 0.00 179.24 178.52 1xsk h VAL 558 N -0.22 0.40 -0.72 -1.35 2.07 -1.13 0.84 116.25 116.14 1xsk h VAL 558 Ca 0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1xsk h VAL 558 Cb 0.38 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1xsk h VAL 558 CO 0.00 0.00 0.34 0.58 0.02 0.00 0.00 177.57 178.52 1xsk h VAL 559 N -0.15 1.23 -0.22 2.57 2.07 -1.43 -1.84 116.25 118.49 1xsk h VAL 559 Ca 0.19 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.93 1xsk h VAL 559 Cb 0.44 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1xsk h VAL 559 CO -0.47 0.28 -0.35 -0.09 0.02 0.00 0.00 177.57 176.95 1xsk h ARG 560 N 1.02 0.62 0.69 1.57 2.43 0.20 -2.39 114.38 118.52 1xsk h ARG 560 Ca 0.25 -0.38 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1xsk h ARG 560 Cb 0.11 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1xsk h ARG 560 CO -0.03 0.99 -0.41 0.35 -1.51 0.00 0.00 179.97 179.36 1xsk h PHE 561 N 0.31 -1.08 0.00 2.20 3.04 0.87 -1.73 116.94 120.54 1xsk h PHE 561 Ca 0.02 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1xsk h PHE 561 Cb 0.94 0.38 0.00 0.00 2.56 0.00 0.00 35.95 39.83 1xsk h PHE 561 CO 0.09 -0.62 0.00 0.74 -2.02 0.00 0.00 178.31 176.50 1xsk h PHE 562 N -1.02 0.00 0.09 0.41 0.04 -1.45 -1.67 116.94 113.33 1xsk h PHE 562 Ca -0.09 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.42 1xsk h PHE 562 Cb 0.82 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1xsk h PHE 562 CO -0.09 0.00 -1.23 1.15 -0.60 0.00 0.00 178.31 177.54 1xsk h THR 563 N 0.00 1.49 -0.15 -1.55 2.02 -1.17 -2.68 112.91 110.88 1xsk h THR 563 Ca 0.00 -3.12 -0.11 0.00 0.77 0.00 0.00 66.41 63.95 1xsk h THR 563 Cb 0.41 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1xsk h THR 563 CO 0.00 0.89 -0.34 1.56 0.37 0.00 0.00 175.52 178.00 1xsk h GLN 564 N 0.05 0.49 0.14 6.66 4.20 -1.00 -3.04 115.11 122.61 1xsk h GLN 564 Ca -0.12 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.28 1xsk h GLN 564 Cb 1.92 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.71 1xsk h GLN 564 CO 0.17 0.94 -0.36 1.25 -0.67 0.00 0.00 178.83 180.16 1xsk h LEU 565 N 0.11 -1.05 -1.11 1.46 5.85 -1.36 -1.72 115.31 117.49 1xsk h LEU 565 Ca -0.00 0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.99 1xsk h LEU 565 Cb 0.94 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 42.28 1xsk h LEU 565 CO 0.07 -0.45 0.61 0.50 -0.34 0.00 0.00 178.44 178.84 1xsk h LYS 566 N -0.60 0.79 -0.12 1.25 3.64 -1.55 0.10 116.57 120.09 1xsk h LYS 566 Ca 0.02 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1xsk h LYS 566 Cb 0.62 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1xsk h LYS 566 CO -0.20 0.53 -0.25 0.00 -2.27 0.00 0.00 179.45 177.26 1xsk h ARG 568 N 0.19 0.03 -0.00 0.00 3.08 0.01 -3.12 114.38 114.55 1xsk h ARG 568 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xsk h ARG 568 Cb 0.54 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1xsk h ARG 568 CO 0.04 0.81 0.00 -1.33 -1.07 0.00 0.00 179.97 178.41 1xsk n MET 569 N -3.62 1.01 0.28 0.04 2.81 -0.42 0.98 117.12 118.21 1xsk n MET 569 Ca -0.01 -0.02 0.11 0.00 -1.81 0.00 0.00 57.70 55.98 1xsk n MET 569 Cb 0.76 -1.40 0.76 0.00 -0.71 0.00 0.00 33.22 32.63 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 0.04 0.00 -0.47 0.03 2.86 -1.45 0.53 114.93 116.47 1xsk h MET 570 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1xsk h MET 570 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1xsk h MET 570 CO 0.00 0.01 -0.18 -1.35 1.06 0.00 0.00 176.91 176.45 1xsk h PRO 571 N 0.00 0.92 -0.08 -0.22 0.11 -1.75 0.48 132.00 131.45 1xsk h PRO 571 Ca -0.00 -0.37 -0.14 0.00 0.11 0.00 0.00 66.00 65.61 1xsk h PRO 571 Cb 0.03 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.10 1xsk h PRO 571 CO 0.00 1.02 -0.48 -0.92 -0.21 0.00 0.00 178.00 177.41 1xsk h TYR 572 N 0.81 0.64 -0.21 0.65 3.20 -1.31 -3.19 116.97 117.57 1xsk h TYR 572 Ca 0.11 -0.29 -0.02 0.00 3.14 0.00 0.00 58.73 61.68 1xsk h TYR 572 Cb 0.73 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1xsk h TYR 572 CO 0.04 1.07 0.06 -0.07 -1.64 0.00 0.00 178.16 177.62 1xsk h LEU 573 N 0.04 0.31 -1.50 2.82 4.07 0.11 -2.59 115.31 118.56 1xsk h LEU 573 Ca -0.04 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.67 1xsk h LEU 573 Cb 1.13 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1xsk h LEU 573 CO 0.10 0.44 -0.21 0.22 -1.08 0.00 0.00 178.44 177.91 1xsk h TYR 574 N 0.16 0.00 -0.13 1.13 3.20 -1.03 -1.81 116.97 118.49 1xsk h TYR 574 Ca 0.07 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1xsk h TYR 574 Cb 0.24 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1xsk h TYR 574 CO 0.00 0.21 -0.08 -0.09 -1.64 0.00 0.00 178.16 176.56 1xsk h ARG 575 N 0.00 0.28 -0.04 1.82 9.65 -1.50 -2.22 114.38 122.37 1xsk h ARG 575 Ca -0.00 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 1xsk h ARG 575 Cb 0.55 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1xsk h ARG 575 CO 0.03 0.63 -0.03 0.93 2.80 0.00 0.00 179.97 184.33 1xsk h GLU 576 N -0.08 0.06 -0.16 0.20 4.39 -1.16 -1.44 114.58 116.39 1xsk h GLU 576 Ca 0.03 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1xsk h GLU 576 Cb 0.56 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1xsk h GLU 576 CO 0.02 0.10 -0.37 0.00 -1.16 0.00 0.00 179.01 177.60 1xsk h ALA 577 N 1.91 1.08 0.00 3.43 0.00 -1.07 -1.78 119.26 122.83 1xsk h ALA 577 Ca 0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1xsk h ALA 577 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xsk h ALA 577 CO 0.00 0.58 -0.29 0.00 0.00 0.00 0.00 179.25 179.54 1xsk h ALA 578 N 1.33 1.50 -0.55 0.00 0.00 -0.65 -2.31 119.26 118.59 1xsk h ALA 578 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1xsk h ALA 578 Cb 0.79 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1xsk h ALA 578 CO 0.06 0.37 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 1xsk h ARG 579 N 0.00 0.94 -0.67 0.00 3.08 -1.08 0.12 114.38 116.77 1xsk h ARG 579 Ca -0.00 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 1xsk h ARG 579 Cb 0.52 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1xsk h ARG 579 CO 0.04 0.94 0.30 0.00 -1.07 0.00 0.00 179.97 180.18 1xsk h ALA 580 N 1.11 0.86 -0.41 0.04 0.00 -1.14 0.21 119.26 119.93 1xsk h ALA 580 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xsk h ALA 580 Cb 0.53 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xsk h ALA 580 CO 0.03 0.44 0.02 -0.97 0.00 0.00 0.00 179.25 178.77 1xsk h ASN 581 N 0.93 0.70 0.25 0.00 -0.00 -1.09 -0.31 115.58 116.06 1xsk h ASN 581 Ca 0.23 -0.29 -0.34 0.00 -0.00 0.00 0.00 56.30 55.89 1xsk h ASN 581 Cb 0.15 -0.19 0.03 0.00 -0.00 0.00 0.00 38.32 38.31 1xsk h ASN 581 CO -0.03 0.82 -1.55 0.00 -0.00 0.00 0.00 177.43 176.67 1xsk h ALA 582 N 0.90 -0.09 -0.02 1.57 0.00 -0.80 -3.41 119.26 117.42 1xsk h ALA 582 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1xsk h ALA 582 Cb 0.45 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xsk h ALA 582 CO 0.02 0.77 0.00 0.54 0.00 0.00 0.00 179.25 180.58 1xsk n ARG 583 N -3.69 0.48 -1.23 0.00 1.74 0.73 -4.98 116.66 109.71 1xsk n ARG 583 Ca -0.19 -0.92 -0.08 0.00 -0.77 0.00 0.00 57.85 55.89 1xsk n ARG 583 Cb 1.10 -1.03 -0.03 0.00 -1.02 0.00 0.00 32.46 31.47 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 -0.06 0.98 3.65 -0.13 0.00 -0.13 -3.32 105.19 106.19 1xsk n GLY 584 Ca 0.01 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1xsk n GLY 584 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsk s THR 585 N -2.22 4.87 0.41 2.61 2.01 -1.23 -4.76 115.64 117.34 1xsk s THR 585 Ca 0.00 1.53 -0.24 0.00 0.31 0.00 0.00 61.69 63.29 1xsk s THR 585 Cb 0.00 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1xsk s THR 585 CO 0.00 -0.02 1.09 -2.16 -0.69 0.00 0.00 174.62 172.84 1xsk s PRO 586 N 2.54 4.06 0.20 4.92 0.04 -1.26 -2.82 135.00 142.67 1xsk s PRO 586 Ca 0.35 1.61 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 1xsk s PRO 586 Cb -0.16 -2.53 0.14 0.00 0.04 0.00 0.00 34.50 32.00 1xsk s PRO 586 CO 0.09 -0.26 1.77 0.52 0.04 0.00 0.00 177.00 179.17 1xsk h MET 587 N 2.41 1.12 -4.77 4.56 2.86 -1.83 -3.37 114.93 115.91 1xsk h MET 587 Ca -0.49 -0.19 -0.70 0.00 -2.06 0.00 0.00 59.70 56.26 1xsk h MET 587 Cb 1.22 -0.19 -0.19 0.00 0.06 0.00 0.00 31.60 32.51 1xsk h MET 587 CO 0.62 0.90 -0.20 1.41 1.06 0.00 0.00 176.91 180.70 1xsk s MET 588 N -5.59 3.07 -0.09 1.72 -2.45 -1.26 -1.42 119.30 113.28 1xsk s MET 588 Ca -0.13 -0.88 0.01 0.00 -1.25 0.00 0.00 55.69 53.44 1xsk s MET 588 Cb 0.15 -4.01 -0.02 0.00 1.25 0.00 0.00 34.83 32.19 1xsk s MET 588 CO 0.83 -0.93 -0.10 1.03 1.05 0.00 0.00 175.02 176.90 1xsk s ARG 589 N 2.11 3.01 0.70 4.11 0.52 0.36 -4.80 118.95 124.96 1xsk s ARG 589 Ca 0.11 -0.62 -0.15 0.00 -0.52 0.00 0.00 55.73 54.55 1xsk s ARG 589 Cb -0.19 -2.60 0.02 0.00 0.52 0.00 0.00 34.95 32.71 1xsk s ARG 589 CO 0.12 0.46 1.17 0.00 0.02 0.00 0.00 175.30 177.07 1xsk s ALA 590 N -0.29 2.25 0.11 2.13 0.00 -1.26 -0.65 121.76 124.05 1xsk s ALA 590 Ca 0.03 0.76 -0.21 0.00 0.00 0.00 0.00 51.96 52.53 1xsk s ALA 590 Cb -0.13 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 1xsk s ALA 590 CO 0.03 -1.64 1.75 0.52 0.00 0.00 0.00 175.76 176.42 1xsk h MET 591 N -0.15 0.09 -1.25 0.00 0.00 -1.81 -1.89 114.93 109.92 1xsk h MET 591 Ca -0.47 -0.01 0.36 0.00 0.00 0.00 0.00 59.70 59.58 1xsk h MET 591 Cb 1.28 -0.02 -0.05 0.00 0.00 0.00 0.00 31.60 32.81 1xsk h MET 591 CO 0.51 0.06 0.93 0.00 0.00 0.00 0.00 176.91 178.42 1xsk h MET 592 N 0.09 0.00 0.08 1.72 -0.00 -1.81 0.24 114.93 115.26 1xsk h MET 592 Ca 0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 59.70 59.45 1xsk h MET 592 Cb 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 31.63 1xsk h MET 592 CO -0.03 0.00 -1.19 1.98 -0.00 0.00 0.00 176.91 177.67 1xsk h MET 593 N 0.00 0.65 0.06 -0.10 1.85 -1.69 -2.69 114.93 113.01 1xsk h MET 593 Ca 0.59 -0.81 -0.26 0.00 -0.61 0.00 0.00 59.70 58.61 1xsk h MET 593 Cb 2.45 0.26 -0.02 0.00 0.43 0.00 0.00 31.60 34.73 1xsk h MET 593 CO -0.01 1.36 -1.25 1.49 -0.40 0.00 0.00 176.91 178.11 1xsk h GLU 594 N 0.31 0.14 -2.18 0.39 4.57 -0.56 -3.39 114.58 113.87 1xsk h GLU 594 Ca -0.17 -0.23 -0.58 0.00 -1.18 0.00 0.00 59.36 57.19 1xsk h GLU 594 Cb 1.85 0.09 -0.41 0.00 -0.16 0.00 0.00 28.75 30.12 1xsk h GLU 594 CO 0.23 1.05 -0.72 1.19 -1.18 0.00 0.00 179.01 179.58 1xsk n PHE 595 N -3.40 2.95 0.33 0.92 3.01 0.16 -4.94 117.46 116.50 1xsk n PHE 595 Ca -0.07 -4.01 0.21 0.00 1.01 0.00 0.00 57.45 54.58 1xsk n PHE 595 Cb 1.00 -0.50 1.11 0.00 -0.01 0.00 0.00 39.48 41.07 1xsk n PHE 595 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xsk h PRO 596 N 3.75 0.00 -0.01 -1.08 0.13 -1.66 -2.36 132.00 130.78 1xsk h PRO 596 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1xsk h PRO 596 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1xsk h PRO 596 CO 0.76 0.00 -0.68 -0.25 -0.23 0.00 0.00 178.00 177.60 1xsk n ASP 597 N -3.01 1.27 -4.60 1.44 8.00 -1.26 -4.85 116.55 113.54 1xsk n ASP 597 Ca -0.03 -1.05 -0.43 0.00 0.71 0.00 0.00 54.79 54.00 1xsk n ASP 597 Cb 0.15 0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 41.84 1xsk n ASP 597 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xsk s ASP 598 N -2.78 6.65 0.03 -2.24 -1.08 -0.89 -4.91 116.67 111.45 1xsk s ASP 598 Ca 0.14 0.50 0.10 0.00 -0.52 0.00 0.00 52.55 52.77 1xsk s ASP 598 Cb 0.17 -2.46 0.45 0.00 -1.46 0.00 0.00 42.92 39.62 1xsk s ASP 598 CO 0.71 -0.89 1.32 -0.81 0.52 0.00 0.00 175.17 176.03 1xsk n PRO 599 N 6.83 0.02 0.04 4.34 -0.04 -1.26 -2.11 135.00 142.81 1xsk n PRO 599 Ca 0.07 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 1xsk n PRO 599 Cb 0.48 -1.54 0.45 0.00 -0.04 0.00 0.00 33.50 32.85 1xsk n PRO 599 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsk n ALA 600 N -1.53 2.57 1.03 0.55 0.00 -1.26 -3.89 120.51 117.98 1xsk n ALA 600 Ca 0.02 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1xsk n ALA 600 Cb 0.11 -1.38 0.24 0.00 0.00 0.00 0.00 19.45 18.41 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 3.94 0.32 -0.43 0.00 3.32 -1.74 -3.15 116.42 118.68 1xsk h ASP 602 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xsk h ASP 602 Cb 0.84 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1xsk h ASP 602 CO 0.00 0.23 0.00 -1.22 -1.72 0.00 0.00 179.24 176.53 1xsk n TYR 603 N -4.91 0.91 -2.26 4.55 4.01 -1.26 -4.88 117.16 113.33 1xsk n TYR 603 Ca 0.02 -0.63 -0.43 0.00 -0.16 0.00 0.00 57.90 56.71 1xsk n TYR 603 Cb 0.10 -0.16 -0.02 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.72 3.90 0.00 7.72 1.43 -1.22 -4.84 118.68 123.95 1xsk s LEU 604 Ca 0.38 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1xsk s LEU 604 Cb 0.25 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1xsk s LEU 604 CO 0.18 -1.16 0.00 -0.90 0.23 0.00 0.00 176.35 174.70 1xsk n ASP 605 N 8.00 0.43 -0.70 2.29 3.85 -1.26 -4.52 116.55 124.65 1xsk n ASP 605 Ca 0.17 -0.38 0.12 0.00 -0.71 0.00 0.00 54.79 53.98 1xsk n ASP 605 Cb 0.46 0.85 0.34 0.00 -1.35 0.00 0.00 41.12 41.43 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 -0.90 1.93 -4.08 0.11 1.74 -1.26 -4.54 116.66 109.66 1xsk n ARG 606 Ca 0.00 -1.38 -0.10 0.00 -0.77 0.00 0.00 57.85 55.60 1xsk n ARG 606 Cb 0.00 -1.44 -0.08 0.00 -1.02 0.00 0.00 32.46 29.92 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 -1.79 1.15 0.31 5.56 -2.07 -1.26 -4.06 119.66 117.50 1xsk s GLN 607 Ca 0.34 -1.37 -0.19 0.00 -1.82 0.00 0.00 55.36 52.32 1xsk s GLN 607 Cb 0.19 0.32 0.03 0.00 -1.09 0.00 0.00 33.01 32.47 1xsk s GLN 607 CO 0.29 -0.40 0.76 1.52 -1.32 0.00 0.00 175.29 176.14 1xsk s TYR 608 N -4.04 -0.08 -0.16 9.60 -0.85 -0.91 -4.61 117.35 116.30 1xsk s TYR 608 Ca 0.25 -0.45 -0.04 0.00 -0.52 0.00 0.00 57.07 56.31 1xsk s TYR 608 Cb 0.05 0.75 -0.03 0.00 0.38 0.00 0.00 41.96 43.11 1xsk s TYR 608 CO 0.05 -1.33 -0.04 -1.64 -1.52 0.00 0.00 175.55 171.07 1xsk s MET 609 N -3.31 3.67 -0.68 -3.49 -1.94 0.18 -1.09 119.30 112.65 1xsk s MET 609 Ca 0.13 -0.52 -0.12 0.00 -1.71 0.00 0.00 55.69 53.47 1xsk s MET 609 Cb -0.05 -2.92 0.18 0.00 2.01 0.00 0.00 34.83 34.04 1xsk s MET 609 CO 0.08 0.24 0.59 -1.17 -0.01 0.00 0.00 175.02 174.75 1xsk s LEU 610 N 0.37 6.22 0.00 -0.03 2.96 0.65 -0.49 118.68 128.36 1xsk s LEU 610 Ca -0.04 -2.41 0.00 0.00 -0.22 0.00 0.00 54.13 51.46 1xsk s LEU 610 Cb -0.14 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1xsk s LEU 610 CO 0.03 -0.62 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 1xsk n GLY 611 N 4.30 -0.98 0.30 7.98 0.00 -0.50 -3.85 105.19 112.45 1xsk n GLY 611 Ca 0.04 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 0.90 0.02 1.61 3.32 -1.91 -3.35 116.42 117.00 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 0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1xsk h ASP 612 CO 0.00 0.71 -0.20 0.59 -1.72 0.00 0.00 179.24 178.63 1xsk n ASN 613 N -4.49 2.15 -3.94 6.45 3.02 -1.26 -4.97 115.26 112.22 1xsk n ASN 613 Ca 0.07 -1.60 -0.21 0.00 -0.03 0.00 0.00 54.58 52.81 1xsk n ASN 613 Cb 0.07 0.18 -0.16 0.00 -0.61 0.00 0.00 39.78 39.26 1xsk n ASN 613 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsk s VAL 614 N -2.23 0.71 -0.21 2.41 0.11 -1.25 -1.61 120.40 118.34 1xsk s VAL 614 Ca 0.26 -0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 58.95 1xsk s VAL 614 Cb 0.19 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1xsk s VAL 614 CO 0.43 0.26 0.16 -0.32 -3.33 0.00 0.00 175.10 172.30 1xsk s MET 615 N 0.70 4.16 -0.11 1.54 1.75 0.22 -0.26 119.30 127.30 1xsk s MET 615 Ca -0.11 -0.19 0.03 0.00 -1.25 0.00 0.00 55.69 54.17 1xsk s MET 615 Cb -0.14 -3.46 0.01 0.00 2.84 0.00 0.00 34.83 34.08 1xsk s MET 615 CO 0.01 0.21 -0.20 0.54 -0.65 0.00 0.00 175.02 174.93 1xsk s VAL 616 N 0.61 1.82 -0.41 10.11 0.11 -0.25 -0.71 120.40 131.69 1xsk s VAL 616 Ca 0.09 -0.85 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 1xsk s VAL 616 Cb -0.12 -1.61 0.11 0.00 -1.53 0.00 0.00 36.38 33.23 1xsk s VAL 616 CO 0.01 0.50 0.14 0.00 -3.33 0.00 0.00 175.10 172.42 1xsk s ALA 617 N 0.68 3.06 0.77 1.54 0.00 -0.16 -2.14 121.76 125.51 1xsk s ALA 617 Ca -0.12 -2.76 -0.15 0.00 0.00 0.00 0.00 51.96 48.93 1xsk s ALA 617 Cb -0.16 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 20.90 1xsk s ALA 617 CO 0.02 -1.81 1.01 -2.30 0.00 0.00 0.00 175.76 172.68 1xsk n PRO 618 N 3.95 0.33 -3.46 0.00 -0.02 -1.26 -3.83 135.00 130.71 1xsk n PRO 618 Ca 0.04 0.18 -0.37 0.00 -2.02 0.00 0.00 63.50 61.32 1xsk n PRO 618 Cb 0.39 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.97 5.26 -0.23 -1.45 1.01 -1.26 -4.98 120.40 116.78 1xsk s VAL 619 Ca 0.72 0.63 0.14 0.00 0.00 0.00 0.00 61.98 63.46 1xsk s VAL 619 Cb -0.32 -3.68 0.53 0.00 0.00 0.00 0.00 36.38 32.92 1xsk s VAL 619 CO 0.52 0.33 1.46 0.49 0.00 0.00 0.00 175.10 177.90 1xsk n PHE 620 N 3.98 1.11 -4.16 5.22 3.72 -1.26 -4.87 117.46 121.20 1xsk n PHE 620 Ca -0.10 -1.16 -0.12 0.00 -0.05 0.00 0.00 57.45 56.01 1xsk n PHE 620 Cb 0.52 -0.41 -0.10 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 -2.99 0.79 -0.01 4.37 -4.23 -1.26 -4.88 115.64 107.42 1xsk s THR 621 Ca 0.44 -1.73 -0.24 0.00 -1.18 0.00 0.00 61.69 58.98 1xsk s THR 621 Cb 0.37 -1.44 -0.19 0.00 1.34 0.00 0.00 72.50 72.58 1xsk s THR 621 CO 0.06 -0.69 1.22 -0.08 -0.54 0.00 0.00 174.62 174.58 1xsk h GLU 622 N 3.36 0.16 0.00 3.99 4.81 -1.94 -3.09 114.58 121.87 1xsk h GLU 622 Ca -0.36 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1xsk h GLU 622 Cb 1.18 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1xsk h GLU 622 CO 0.57 0.70 0.04 0.00 -0.73 0.00 0.00 179.01 179.59 1xsk h ALA 623 N 0.47 1.04 0.00 2.92 0.00 -1.97 -3.46 119.26 118.26 1xsk h ALA 623 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsk h ALA 623 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xsk h ALA 623 CO 0.02 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1xsk n GLY 624 N -1.10 0.89 3.74 0.00 0.00 -1.17 -4.70 105.19 102.84 1xsk n GLY 624 Ca -0.03 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1xsk n GLY 624 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsk s ASP 625 N -2.02 7.30 -0.14 1.61 1.01 -1.26 -0.63 116.67 122.55 1xsk s ASP 625 Ca 0.00 2.04 -0.11 0.00 0.71 0.00 0.00 52.55 55.20 1xsk s ASP 625 Cb 0.00 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.37 1xsk s ASP 625 CO 0.00 -0.21 0.35 0.54 0.21 0.00 0.00 175.17 176.06 1xsk s VAL 626 N -0.16 -0.01 -0.08 -1.27 0.11 -0.41 -4.35 120.40 114.23 1xsk s VAL 626 Ca 0.49 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.63 1xsk s VAL 626 Cb -0.28 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1xsk s VAL 626 CO 0.34 0.02 -0.22 -1.10 -3.33 0.00 0.00 175.10 170.80 1xsk s GLN 627 N 0.59 2.81 0.02 1.54 -0.21 -1.26 -1.09 119.66 122.06 1xsk s GLN 627 Ca -0.03 -0.85 -0.10 0.00 0.02 0.00 0.00 55.36 54.40 1xsk s GLN 627 Cb -0.05 -2.28 0.01 0.00 1.00 0.00 0.00 33.01 31.69 1xsk s GLN 627 CO -0.04 0.32 0.20 -0.59 -2.12 0.00 0.00 175.29 173.06 1xsk s PHE 628 N 0.01 0.01 -0.06 0.91 -0.12 -0.63 -4.98 117.98 113.13 1xsk s PHE 628 Ca -0.08 -0.15 -0.07 0.00 -0.05 0.00 0.00 56.93 56.59 1xsk s PHE 628 Cb -0.15 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 1xsk s PHE 628 CO 0.05 -0.38 0.19 -0.47 -0.05 0.00 0.00 175.22 174.56 1xsk s TYR 629 N -2.02 3.60 -0.12 3.49 5.04 -1.26 -0.41 117.35 125.66 1xsk s TYR 629 Ca -0.09 0.53 0.03 0.00 -2.44 0.00 0.00 57.07 55.10 1xsk s TYR 629 Cb -0.04 -1.95 0.01 0.00 0.35 0.00 0.00 41.96 40.33 1xsk s TYR 629 CO -0.01 0.69 -0.21 -1.17 -1.34 0.00 0.00 175.55 173.51 1xsk s LEU 630 N -1.36 2.03 0.00 6.97 2.96 -0.45 -4.99 118.68 123.84 1xsk s LEU 630 Ca 0.21 -0.56 -0.18 0.00 -0.22 0.00 0.00 54.13 53.38 1xsk s LEU 630 Cb -0.13 -1.36 0.28 0.00 0.50 0.00 0.00 46.19 45.48 1xsk s LEU 630 CO 0.10 0.09 0.86 -2.65 -1.32 0.00 0.00 176.35 173.43 1xsk n PRO 631 N 3.93 -3.31 -1.72 0.98 -0.02 -1.26 0.97 135.00 134.57 1xsk n PRO 631 Ca -0.20 -1.40 -0.43 0.00 -2.02 0.00 0.00 63.50 59.46 1xsk n PRO 631 Cb 0.52 -1.44 -0.01 0.00 -0.02 0.00 0.00 33.50 32.54 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 -4.59 2.38 0.00 -0.52 2.13 -1.26 -1.47 120.64 117.31 1xsk n GLU 632 Ca 0.12 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.79 1xsk n GLU 632 Cb 0.50 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.67 1xsk n GLU 632 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xsk n GLY 633 N 1.65 1.97 3.23 8.31 0.00 -1.26 -4.82 105.19 114.26 1xsk n GLY 633 Ca 0.08 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.51 2.49 0.27 1.61 3.52 -1.26 0.18 118.95 124.24 1xsk s ARG 634 Ca 0.00 -1.41 -0.11 0.00 -0.13 0.00 0.00 55.73 54.07 1xsk s ARG 634 Cb 0.00 -3.58 -0.08 0.00 -1.56 0.00 0.00 34.95 29.73 1xsk s ARG 634 CO 0.00 -0.85 0.62 -1.58 -0.81 0.00 0.00 175.30 172.68 1xsk s TRP 635 N 1.35 3.41 -0.10 5.12 0.52 0.15 -3.67 118.94 125.71 1xsk s TRP 635 Ca 0.02 0.98 0.02 0.00 0.02 0.00 0.00 56.10 57.14 1xsk s TRP 635 Cb -0.22 -2.35 0.01 0.00 -1.15 0.00 0.00 33.47 29.77 1xsk s TRP 635 CO 0.01 0.19 -0.17 0.99 0.02 0.00 0.00 176.95 177.99 1xsk s THR 636 N -1.91 1.59 0.05 2.01 2.01 -0.68 -0.12 115.64 118.59 1xsk s THR 636 Ca 0.50 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 1xsk s THR 636 Cb -0.11 -1.42 -0.08 0.00 0.01 0.00 0.00 72.50 70.90 1xsk s THR 636 CO 0.21 0.46 1.73 -2.28 -0.69 0.00 0.00 174.62 174.04 1xsk s HIS 637 N 0.78 2.14 0.45 4.92 2.46 0.82 -0.52 115.29 126.34 1xsk s HIS 637 Ca -0.11 0.13 0.33 0.00 0.47 0.00 0.00 55.06 55.89 1xsk s HIS 637 Cb -0.16 -4.03 1.51 0.00 -0.13 0.00 0.00 32.58 29.77 1xsk s HIS 637 CO 0.01 -4.27 1.58 1.25 -2.47 0.00 0.00 174.74 170.84 1xsk h LEU 638 N 9.15 0.19 0.00 8.88 5.85 -1.44 -0.02 115.31 137.92 1xsk h LEU 638 Ca -0.44 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1xsk h LEU 638 Cb 1.21 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1xsk h LEU 638 CO 0.94 -0.25 -0.18 -2.67 -0.34 0.00 0.00 178.44 175.94 1xsk n TRP 639 N -4.70 0.00 0.32 1.25 2.14 -1.26 -4.70 117.44 110.49 1xsk n TRP 639 Ca 0.41 0.00 0.12 0.00 2.07 0.00 0.00 57.50 60.10 1xsk n TRP 639 Cb 1.59 0.00 0.15 0.00 -0.81 0.00 0.00 31.31 32.24 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 0.00 -2.67 3.86 -1.92 -3.47 115.15 110.94 1xsk h HIS 640 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xsk h HIS 640 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xsk h HIS 640 CO 0.00 0.00 0.00 -1.71 0.86 0.00 0.00 177.93 177.08 1xsk n ASN 641 N -2.60 -0.88 -4.78 2.45 5.15 -0.03 -4.94 115.26 109.63 1xsk n ASN 641 Ca 0.03 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.70 1xsk n ASN 641 Cb 0.50 -2.06 0.09 0.00 -0.53 0.00 0.00 39.78 37.78 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 -2.20 4.48 0.14 1.20 -4.77 -1.26 -4.58 116.67 109.68 1xsk s ASP 642 Ca 0.00 1.58 0.08 0.00 -3.30 0.00 0.00 52.55 50.92 1xsk s ASP 642 Cb 0.00 -2.33 -0.04 0.00 -1.09 0.00 0.00 42.92 39.46 1xsk s ASP 642 CO 0.00 -2.02 -0.19 -1.61 0.70 0.00 0.00 175.17 172.06 1xsk s GLU 643 N -5.00 1.21 0.02 2.11 2.02 -1.26 -0.13 118.70 117.68 1xsk s GLU 643 Ca 0.61 -1.33 -0.01 0.00 0.02 0.00 0.00 54.97 54.26 1xsk s GLU 643 Cb -0.16 -1.31 -0.02 0.00 0.10 0.00 0.00 34.13 32.75 1xsk s GLU 643 CO 0.56 0.27 -0.00 -0.51 0.02 0.00 0.00 175.26 175.60 1xsk s LEU 644 N -2.45 2.14 -0.03 1.80 1.43 0.83 -4.96 118.68 117.44 1xsk s LEU 644 Ca 0.13 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.57 1xsk s LEU 644 Cb -0.07 0.19 -0.05 0.00 0.03 0.00 0.00 46.19 46.29 1xsk s LEU 644 CO 0.06 -0.32 0.55 -1.81 0.23 0.00 0.00 176.35 175.06 1xsk s ASP 645 N -1.48 6.89 1.00 2.29 1.01 -1.26 0.30 116.67 125.43 1xsk s ASP 645 Ca -0.15 1.06 -0.00 0.00 0.71 0.00 0.00 52.55 54.16 1xsk s ASP 645 Cb -0.09 -2.34 0.01 0.00 1.01 0.00 0.00 42.92 41.51 1xsk s ASP 645 CO -0.01 0.09 0.02 0.61 0.21 0.00 0.00 175.17 176.10 1xsk n GLY 646 N 2.60 -2.07 2.41 0.21 0.00 0.48 -4.46 105.19 104.36 1xsk n GLY 646 Ca -0.07 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 1xsk n GLY 646 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsk n SER 647 N -3.03 -5.84 -3.60 1.61 7.64 0.27 -4.75 113.62 105.93 1xsk n SER 647 Ca 0.00 0.02 -0.10 0.00 1.01 0.00 0.00 58.87 59.81 1xsk n SER 647 Cb 0.01 -4.87 -0.02 0.00 -1.01 0.00 0.00 64.21 58.32 1xsk n SER 647 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsk s ARG 648 N -4.93 1.46 0.24 1.43 1.70 -0.94 -4.99 118.95 112.92 1xsk s ARG 648 Ca 0.00 -0.67 -0.15 0.00 -0.47 0.00 0.00 55.73 54.44 1xsk s ARG 648 Cb 0.00 0.59 -0.08 0.00 -0.57 0.00 0.00 34.95 34.89 1xsk s ARG 648 CO 0.00 -0.66 0.66 -1.58 -1.08 0.00 0.00 175.30 172.64 1xsk s TRP 649 N -3.79 3.49 0.02 5.89 0.52 -1.26 -1.34 118.94 122.47 1xsk s TRP 649 Ca 0.05 1.15 0.04 0.00 0.02 0.00 0.00 56.10 57.37 1xsk s TRP 649 Cb -0.03 -2.46 -0.02 0.00 -1.15 0.00 0.00 33.47 29.81 1xsk s TRP 649 CO -0.05 0.25 -0.13 -1.01 0.02 0.00 0.00 176.95 176.04 1xsk s HIS 650 N -1.74 1.13 -0.13 -1.98 3.76 0.45 -4.97 115.29 111.80 1xsk s HIS 650 Ca 0.47 -0.30 0.01 0.00 -0.15 0.00 0.00 55.06 55.09 1xsk s HIS 650 Cb -0.13 -0.69 -0.01 0.00 1.11 0.00 0.00 32.58 32.87 1xsk s HIS 650 CO 0.19 0.01 -0.17 0.21 -0.85 0.00 0.00 174.74 174.14 1xsk s LYS 651 N -0.81 3.23 0.23 1.40 2.20 -1.26 -1.60 119.74 123.13 1xsk s LYS 651 Ca 0.02 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1xsk s LYS 651 Cb -0.07 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 1xsk s LYS 651 CO 0.01 0.12 0.17 -0.65 -0.36 0.00 0.00 175.35 174.63 1xsk s GLN 652 N 0.55 1.32 -0.05 4.03 -0.21 -0.25 -5.01 119.66 120.04 1xsk s GLN 652 Ca -0.10 -1.69 0.01 0.00 0.02 0.00 0.00 55.36 53.60 1xsk s GLN 652 Cb -0.16 0.29 0.02 0.00 1.00 0.00 0.00 33.01 34.15 1xsk s GLN 652 CO 0.04 -0.45 -0.07 -1.14 -2.12 0.00 0.00 175.29 171.55 1xsk s GLN 653 N -4.02 1.16 0.09 2.91 0.74 -1.26 -1.28 119.66 118.00 1xsk s GLN 653 Ca 0.39 -0.22 0.07 0.00 0.05 0.00 0.00 55.36 55.65 1xsk s GLN 653 Cb 0.06 -1.06 -0.03 0.00 1.10 0.00 0.00 33.01 33.08 1xsk s GLN 653 CO 0.15 -0.04 -0.19 -1.01 -0.55 0.00 0.00 175.29 173.64 1xsk s HIS 654 N 0.83 1.64 0.79 1.67 3.76 0.20 -4.98 115.29 119.20 1xsk s HIS 654 Ca -0.12 -0.42 -0.06 0.00 -0.15 0.00 0.00 55.06 54.30 1xsk s HIS 654 Cb -0.15 -0.91 0.14 0.00 1.11 0.00 0.00 32.58 32.77 1xsk s HIS 654 CO 0.01 0.15 1.09 0.20 -0.85 0.00 0.00 174.74 175.35 1xsk s GLY 655 N -1.77 1.76 0.00 -2.22 0.00 -1.26 -4.37 107.32 99.46 1xsk s GLY 655 Ca 0.04 -1.42 0.07 0.00 0.00 0.00 0.00 44.72 43.41 1xsk s GLY 655 CO 0.03 -0.82 1.15 0.69 0.00 0.00 0.00 173.10 174.15 1xsk n PHE 656 N -3.13 0.00 0.46 1.90 3.72 -1.26 -1.79 117.46 117.37 1xsk n PHE 656 Ca 0.14 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.65 1xsk n PHE 656 Cb 0.60 -0.40 0.16 0.00 -0.94 0.00 0.00 39.48 38.90 1xsk n PHE 656 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1xsk n LEU 657 N -1.40 3.16 -3.98 4.37 7.94 -1.26 -4.83 117.00 121.00 1xsk n LEU 657 Ca 0.02 -1.35 -0.08 0.00 -1.11 0.00 0.00 56.01 53.48 1xsk n LEU 657 Cb 0.07 -0.16 -0.08 0.00 0.53 0.00 0.00 43.42 43.78 1xsk n LEU 657 CO 0.06 0.64 -0.18 -0.55 -1.11 0.00 0.00 177.39 176.25 1xsk s SER 658 N -1.52 0.24 0.04 1.96 0.15 -0.74 -5.01 113.70 108.81 1xsk s SER 658 Ca 0.32 -0.86 -0.27 0.00 0.70 0.00 0.00 55.95 55.84 1xsk s SER 658 Cb 0.20 0.31 0.09 0.00 -1.71 0.00 0.00 66.02 64.91 1xsk s SER 658 CO 0.28 -0.72 0.81 -1.48 1.20 0.00 0.00 173.24 173.33 1xsk s LEU 659 N -2.92 -0.43 -0.31 3.45 2.34 -1.26 -4.38 118.68 115.17 1xsk s LEU 659 Ca 0.10 0.02 -0.27 0.00 0.06 0.00 0.00 54.13 54.03 1xsk s LEU 659 Cb 0.06 2.19 -0.06 0.00 -0.56 0.00 0.00 46.19 47.82 1xsk s LEU 659 CO -0.07 -0.71 2.29 -2.84 -1.06 0.00 0.00 176.35 173.95 1xsk s PRO 660 N -3.24 2.76 -0.37 1.48 0.02 -1.25 -4.88 135.00 129.52 1xsk s PRO 660 Ca 0.04 1.81 0.01 0.00 0.02 0.00 0.00 61.00 62.88 1xsk s PRO 660 Cb -0.01 -4.45 0.11 0.00 0.02 0.00 0.00 34.50 30.18 1xsk s PRO 660 CO -0.10 -2.53 0.15 0.08 -0.33 0.00 0.00 177.00 174.28 1xsk s VAL 661 N 9.71 1.37 -0.09 3.83 1.01 -1.25 -0.99 120.40 133.98 1xsk s VAL 661 Ca 1.00 -2.07 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1xsk s VAL 661 Cb -0.27 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1xsk s VAL 661 CO 0.32 -0.76 -0.09 -0.31 0.00 0.00 0.00 175.10 174.27 1xsk s TYR 662 N 0.94 2.89 0.00 5.22 2.02 0.11 -1.05 117.35 127.48 1xsk s TYR 662 Ca 0.13 -0.20 -0.10 0.00 -0.37 0.00 0.00 57.07 56.53 1xsk s TYR 662 Cb -0.21 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.53 1xsk s TYR 662 CO -0.11 0.13 0.33 0.08 -1.57 0.00 0.00 175.55 174.41 1xsk s VAL 663 N -0.35 5.19 0.53 0.71 1.01 0.32 -0.61 120.40 127.21 1xsk s VAL 663 Ca 0.04 0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.31 1xsk s VAL 663 Cb -0.12 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1xsk s VAL 663 CO 0.02 0.46 1.09 -0.13 0.00 0.00 0.00 175.10 176.55 1xsk s ARG 664 N -1.45 3.49 0.80 2.72 0.52 -0.63 -1.68 118.95 122.72 1xsk s ARG 664 Ca 0.26 1.50 -0.11 0.00 -0.52 0.00 0.00 55.73 56.86 1xsk s ARG 664 Cb -0.14 -2.04 0.07 0.00 0.52 0.00 0.00 34.95 33.37 1xsk s ARG 664 CO 0.14 -0.72 1.09 0.16 0.02 0.00 0.00 175.30 175.99 1xsk s ASP 665 N -1.91 4.31 -1.33 0.23 3.84 -1.24 -3.60 116.67 116.97 1xsk s ASP 665 Ca 0.70 1.59 -0.06 0.00 -0.00 0.00 0.00 52.55 54.78 1xsk s ASP 665 Cb -0.21 -2.32 0.02 0.00 -1.38 0.00 0.00 42.92 39.03 1xsk s ASP 665 CO 0.25 -2.12 1.07 0.59 -0.00 0.00 0.00 175.17 174.96 1xsk n ASN 666 N -3.56 -4.45 -4.15 2.11 3.02 0.17 -4.98 115.26 103.41 1xsk n ASN 666 Ca 0.08 -0.62 -0.24 0.00 -0.03 0.00 0.00 54.58 53.77 1xsk n ASN 666 Cb 0.54 -4.84 -0.15 0.00 -0.61 0.00 0.00 39.78 34.72 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 -3.36 1.31 -0.28 3.41 2.01 -1.10 -4.63 115.64 113.00 1xsk s THR 667 Ca 0.37 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.68 1xsk s THR 667 Cb -0.17 -1.09 0.06 0.00 0.01 0.00 0.00 72.50 71.31 1xsk s THR 667 CO 0.75 0.37 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.78 1xsk s LEU 668 N -0.36 3.76 -0.07 4.42 2.96 -1.26 -0.56 118.68 127.57 1xsk s LEU 668 Ca 0.06 -1.46 -0.03 0.00 -0.22 0.00 0.00 54.13 52.48 1xsk s LEU 668 Cb -0.07 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1xsk s LEU 668 CO -0.00 -0.24 0.08 -0.22 -1.32 0.00 0.00 176.35 174.65 1xsk s LEU 669 N 1.12 4.00 -0.21 -0.68 2.96 -0.11 -4.36 118.68 121.40 1xsk s LEU 669 Ca -0.05 0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 54.07 1xsk s LEU 669 Cb -0.20 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1xsk s LEU 669 CO -0.04 0.35 0.02 0.00 -1.32 0.00 0.00 176.35 175.36 1xsk s ALA 670 N -1.06 3.08 -0.04 5.97 0.00 -1.26 -0.19 121.76 128.26 1xsk s ALA 670 Ca 0.18 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1xsk s ALA 670 Cb -0.12 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1xsk s ALA 670 CO 0.08 -0.22 -0.11 -0.51 0.00 0.00 0.00 175.76 175.00 1xsk s LEU 671 N 1.12 2.93 0.66 0.00 1.02 -0.15 -3.22 118.68 121.04 1xsk s LEU 671 Ca 0.03 -0.15 -0.10 0.00 0.02 0.00 0.00 54.13 53.93 1xsk s LEU 671 Cb -0.14 -1.64 -0.00 0.00 0.02 0.00 0.00 46.19 44.42 1xsk s LEU 671 CO 0.02 0.33 1.03 -0.83 0.02 0.00 0.00 176.35 176.93 1xsk s GLY 672 N -0.94 1.62 -0.44 -3.19 0.00 0.28 -0.53 107.32 104.12 1xsk s GLY 672 Ca 0.13 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.55 1xsk s GLY 672 CO 0.02 -0.03 1.83 1.16 0.00 0.00 0.00 173.10 176.09 1xsk n ASN 673 N -2.84 3.96 -3.69 1.64 6.94 -1.26 -4.81 115.26 115.20 1xsk n ASN 673 Ca 0.06 -3.67 -0.12 0.00 -0.02 0.00 0.00 54.58 50.82 1xsk n ASN 673 Cb 0.56 -0.81 -0.13 0.00 -2.36 0.00 0.00 39.78 37.05 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 -1.65 -0.00 -0.16 0.53 3.84 -1.26 -5.03 114.94 111.21 1xsk s ASN 674 Ca 0.55 0.62 0.17 0.00 0.21 0.00 0.00 52.86 54.42 1xsk s ASN 674 Cb 0.47 0.64 0.41 0.00 -0.55 0.00 0.00 41.25 42.22 1xsk s ASN 674 CO 0.07 -0.21 1.29 -0.90 -2.79 0.00 0.00 177.10 174.56 1xsk n ASP 675 N 4.83 3.04 -0.07 -4.21 5.75 -1.26 -3.76 116.55 120.87 1xsk n ASP 675 Ca -0.15 -3.11 -0.09 0.00 -0.01 0.00 0.00 54.79 51.43 1xsk n ASP 675 Cb 0.51 -0.49 -0.07 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.00 0.58 -4.25 0.11 1.13 -1.26 -4.27 117.38 108.42 1xsk n GLN 676 Ca 0.19 0.07 -0.18 0.00 -1.94 0.00 0.00 57.00 55.15 1xsk n GLN 676 Cb 0.77 -1.29 -0.11 0.00 0.11 0.00 0.00 30.24 29.73 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 -2.29 1.06 0.05 -1.09 1.70 -1.26 -4.76 118.95 112.36 1xsk s ARG 677 Ca -0.18 -1.30 0.05 0.00 -0.47 0.00 0.00 55.73 53.83 1xsk s ARG 677 Cb 0.05 -0.90 -0.24 0.00 -0.57 0.00 0.00 34.95 33.29 1xsk s ARG 677 CO 0.35 0.17 1.04 -1.00 -1.08 0.00 0.00 175.30 174.77 1xsk h PRO 678 N 3.35 0.09 -4.73 3.89 0.13 -1.87 -3.44 132.00 129.42 1xsk h PRO 678 Ca -0.39 -0.15 -0.70 0.00 -0.87 0.00 0.00 66.00 63.89 1xsk h PRO 678 Cb 1.20 0.06 -0.20 0.00 0.13 0.00 0.00 31.00 32.19 1xsk h PRO 678 CO 0.53 0.95 0.02 0.16 -0.23 0.00 0.00 178.00 179.43 1xsk s ASP 679 N -6.69 6.20 0.29 1.44 -4.77 -1.26 -4.88 116.67 106.99 1xsk s ASP 679 Ca -0.03 -1.22 -0.18 0.00 -3.30 0.00 0.00 52.55 47.82 1xsk s ASP 679 Cb 0.09 -2.28 0.02 0.00 -1.09 0.00 0.00 42.92 39.66 1xsk s ASP 679 CO 0.84 -0.95 0.68 -0.72 0.70 0.00 0.00 175.17 175.71 1xsk s TYR 680 N 2.49 -0.02 -1.06 2.11 1.13 -1.26 -5.02 117.35 115.72 1xsk s TYR 680 Ca 0.12 -0.44 -0.24 0.00 -1.41 0.00 0.00 57.07 55.10 1xsk s TYR 680 Cb -0.22 0.61 -0.10 0.00 -1.10 0.00 0.00 41.96 41.15 1xsk s TYR 680 CO 0.09 -1.23 2.00 0.54 -2.51 0.00 0.00 175.55 174.44 1xsk s VAL 681 N -3.73 3.40 0.52 -3.49 0.11 -1.26 -4.77 120.40 111.17 1xsk s VAL 681 Ca 0.14 -0.56 0.16 0.00 -2.93 0.00 0.00 61.98 58.78 1xsk s VAL 681 Cb -0.05 -4.20 0.27 0.00 -1.53 0.00 0.00 36.38 30.87 1xsk s VAL 681 CO 0.08 -0.77 2.15 -0.50 -3.33 0.00 0.00 175.10 172.73 1xsk h TRP 682 N 10.69 0.02 -0.10 1.54 6.55 -1.96 -2.66 115.95 130.03 1xsk h TRP 682 Ca 0.14 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.98 1xsk h TRP 682 Cb 0.97 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.26 1xsk h TRP 682 CO 1.18 0.01 0.00 -2.39 -1.05 0.00 0.00 178.44 176.20 1xsk n HIS 683 N -4.54 0.31 -4.86 0.49 1.44 -1.26 -4.20 115.22 102.59 1xsk n HIS 683 Ca -0.03 -0.11 -0.26 0.00 -2.01 0.00 0.00 57.72 55.31 1xsk n HIS 683 Cb 0.09 -0.14 -0.16 0.00 0.12 0.00 0.00 29.99 29.90 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 -1.38 1.67 0.00 -1.40 2.02 -1.01 -1.94 118.70 116.66 1xsk s GLU 684 Ca 0.09 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1xsk s GLU 684 Cb 0.06 -1.51 0.00 0.00 0.10 0.00 0.00 34.13 32.78 1xsk s GLU 684 CO 0.03 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.03 1xsk n GLY 685 N 2.92 0.06 3.42 -1.39 0.00 -0.44 -4.61 105.19 105.16 1xsk n GLY 685 Ca -0.17 0.00 -0.40 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 -2.09 1.61 -3.89 2.61 -1.04 -1.26 -4.48 114.28 105.75 1xsk n THR 686 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 1xsk n THR 686 Cb 0.38 -0.48 -0.15 0.00 -1.82 0.00 0.00 70.33 68.26 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 -1.63 2.42 0.29 2.41 0.00 0.31 -2.05 121.76 123.51 1xsk s ALA 687 Ca 0.64 -2.31 -0.24 0.00 0.00 0.00 0.00 51.96 50.05 1xsk s ALA 687 Cb -0.54 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.62 1xsk s ALA 687 CO 0.58 -1.74 0.87 -0.06 0.00 0.00 0.00 175.76 175.42 1xsk s PHE 688 N 1.00 3.66 -0.10 0.00 0.08 -0.25 -0.97 117.98 121.41 1xsk s PHE 688 Ca 0.12 1.64 -0.01 0.00 0.12 0.00 0.00 56.93 58.80 1xsk s PHE 688 Cb -0.19 -2.82 0.03 0.00 -0.57 0.00 0.00 43.02 39.46 1xsk s PHE 688 CO -0.13 0.24 -0.04 -1.01 -0.10 0.00 0.00 175.22 174.18 1xsk s HIS 689 N -1.61 1.16 -0.22 0.36 3.76 0.73 -0.50 115.29 118.96 1xsk s HIS 689 Ca 0.48 -0.52 -0.13 0.00 -0.15 0.00 0.00 55.06 54.74 1xsk s HIS 689 Cb -0.17 -1.06 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 1xsk s HIS 689 CO 0.22 -0.44 0.29 -1.17 -0.85 0.00 0.00 174.74 172.80 1xsk s LEU 690 N 1.81 4.13 -0.25 0.89 2.96 -0.36 -0.93 118.68 126.92 1xsk s LEU 690 Ca 0.05 0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1xsk s LEU 690 Cb -0.12 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 1xsk s LEU 690 CO -0.07 -0.03 0.01 -0.36 -1.32 0.00 0.00 176.35 174.59 1xsk s PHE 691 N 1.28 3.04 -0.56 5.38 0.08 0.28 -2.48 117.98 125.00 1xsk s PHE 691 Ca 0.14 -0.85 -0.12 0.00 0.12 0.00 0.00 56.93 56.22 1xsk s PHE 691 Cb -0.14 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1xsk s PHE 691 CO 0.07 -0.52 0.34 0.09 -0.10 0.00 0.00 175.22 175.10 1xsk n ASN 692 N 4.84 -2.30 -4.64 1.36 3.02 -1.26 -0.66 115.26 115.61 1xsk n ASN 692 Ca -0.17 -0.63 -0.43 0.00 -0.03 0.00 0.00 54.58 53.33 1xsk n ASN 692 Cb 0.50 -0.84 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 1xsk n ASN 692 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xsk s LEU 693 N -5.26 4.02 0.69 3.41 0.20 -1.26 -1.66 118.68 118.82 1xsk s LEU 693 Ca 0.16 1.62 -0.11 0.00 0.69 0.00 0.00 54.13 56.49 1xsk s LEU 693 Cb -0.09 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 1xsk s LEU 693 CO 0.50 -1.04 1.08 -1.10 -0.29 0.00 0.00 176.35 175.50 1xsk s GLN 694 N 4.16 2.99 -0.08 1.98 -0.21 -1.26 -4.95 119.66 122.29 1xsk s GLN 694 Ca 0.64 0.50 -0.30 0.00 0.02 0.00 0.00 55.36 56.22 1xsk s GLN 694 Cb -0.23 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1xsk s GLN 694 CO 0.24 -0.94 1.54 0.34 -2.12 0.00 0.00 175.29 174.35 1xsk s ASP 695 N -4.33 6.75 0.00 5.90 2.15 -1.26 -2.46 116.67 123.42 1xsk s ASP 695 Ca 0.57 2.09 0.00 0.00 0.43 0.00 0.00 52.55 55.65 1xsk s ASP 695 Cb -0.11 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1xsk s ASP 695 CO 0.52 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 1xsk n GLY 696 N 3.98 0.78 3.56 2.66 0.00 -0.48 -5.02 105.19 110.68 1xsk n GLY 696 Ca 0.16 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1xsk n GLY 696 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsk s HIS 697 N -2.00 2.31 0.00 1.61 3.76 -1.03 -4.98 115.29 114.97 1xsk s HIS 697 Ca 0.00 -0.78 0.01 0.00 -0.15 0.00 0.00 55.06 54.14 1xsk s HIS 697 Cb 0.00 -1.60 -0.00 0.00 1.11 0.00 0.00 32.58 32.08 1xsk s HIS 697 CO 0.00 0.29 -0.02 -2.00 -0.85 0.00 0.00 174.74 172.15 1xsk s GLU 698 N -3.78 0.20 -0.14 1.40 2.12 -1.26 -1.69 118.70 115.55 1xsk s GLU 698 Ca 0.35 -0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.54 1xsk s GLU 698 Cb 0.09 -0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.36 1xsk s GLU 698 CO 0.17 0.03 -0.22 0.00 -0.54 0.00 0.00 175.26 174.70 1xsk s ALA 699 N -0.28 2.23 -0.04 6.30 0.00 -0.43 -4.93 121.76 124.62 1xsk s ALA 699 Ca -0.02 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.91 1xsk s ALA 699 Cb -0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 1xsk s ALA 699 CO -0.00 -0.02 -0.16 0.08 0.00 0.00 0.00 175.76 175.65 1xsk s VAL 700 N 0.81 2.91 -0.14 0.00 1.01 -1.26 -1.32 120.40 122.41 1xsk s VAL 700 Ca -0.07 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1xsk s VAL 700 Cb -0.16 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.13 1xsk s VAL 700 CO -0.02 0.56 -0.02 0.00 0.00 0.00 0.00 175.10 175.62 1xsk s GLU 702 N 1.78 2.88 -0.24 0.00 2.02 -1.26 -1.41 118.70 122.46 1xsk s GLU 702 Ca 0.02 -1.09 -0.24 0.00 0.02 0.00 0.00 54.97 53.68 1xsk s GLU 702 Cb -0.15 -3.87 -0.01 0.00 0.10 0.00 0.00 34.13 30.21 1xsk s GLU 702 CO -0.07 -0.76 0.80 0.08 0.02 0.00 0.00 175.26 175.33 1xsk s VAL 703 N 1.61 4.86 0.64 2.63 1.01 0.45 -4.83 120.40 126.77 1xsk s VAL 703 Ca 0.03 1.51 -0.10 0.00 0.00 0.00 0.00 61.98 63.42 1xsk s VAL 703 Cb -0.20 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1xsk s VAL 703 CO 0.08 -0.05 1.03 -2.16 0.00 0.00 0.00 175.10 173.99 1xsk s PRO 704 N 2.76 3.25 0.54 2.72 0.04 -1.26 -0.92 135.00 142.13 1xsk s PRO 704 Ca 0.34 0.54 0.08 0.00 0.04 0.00 0.00 61.00 61.99 1xsk s PRO 704 Cb -0.15 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.37 1xsk s PRO 704 CO 0.08 -0.74 0.65 0.00 0.04 0.00 0.00 177.00 177.03 1xsk n ALA 705 N -2.81 1.07 -0.12 8.56 0.00 0.11 -4.67 120.51 122.66 1xsk n ALA 705 Ca 0.06 -2.01 -0.05 0.00 0.00 0.00 0.00 53.44 51.44 1xsk n ALA 705 Cb 0.56 0.63 0.03 0.00 0.00 0.00 0.00 19.45 20.67 1xsk n ALA 705 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsk h ALA 706 N 0.29 0.45 0.00 0.00 0.00 -1.95 -1.73 119.26 116.31 1xsk h ALA 706 Ca -0.28 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xsk h ALA 706 Cb 1.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xsk h ALA 706 CO 0.41 -0.31 0.00 -0.40 0.00 0.00 0.00 179.25 178.95 1xsk n ASP 707 N -5.08 0.00 0.00 0.00 5.68 -1.26 -4.83 116.55 111.06 1xsk n ASP 707 Ca 0.03 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 1xsk n ASP 707 Cb 0.18 0.00 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 0.26 1.67 3.84 6.12 0.00 -0.65 -5.05 105.19 111.37 1xsk n GLY 708 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.40 5.96 -0.11 1.61 1.04 -1.26 -4.66 113.70 113.88 1xsk s SER 709 Ca 0.00 1.56 -0.30 0.00 0.48 0.00 0.00 55.95 57.70 1xsk s SER 709 Cb 0.00 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 1xsk s SER 709 CO 0.00 -1.05 1.09 -0.69 0.98 0.00 0.00 173.24 173.57 1xsk s VAL 710 N -2.95 4.56 -0.33 5.02 1.01 -1.26 0.09 120.40 126.55 1xsk s VAL 710 Ca 0.58 1.86 0.15 0.00 0.00 0.00 0.00 61.98 64.57 1xsk s VAL 710 Cb -0.12 -4.19 -0.21 0.00 0.00 0.00 0.00 36.38 31.85 1xsk s VAL 710 CO 0.48 -0.03 0.47 0.00 0.00 0.00 0.00 175.10 176.02 1xsk n ILE 711 N 4.74 0.00 -3.65 2.22 3.06 -0.10 -4.86 119.36 120.76 1xsk n ILE 711 Ca 0.10 -0.26 -0.07 0.00 -2.50 0.00 0.00 62.75 60.02 1xsk n ILE 711 Cb 0.47 0.52 -0.08 0.00 0.54 0.00 0.00 39.64 41.10 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 -2.78 -0.97 -0.06 9.51 5.36 -1.06 -1.05 117.98 126.93 1xsk s PHE 712 Ca -0.01 1.93 0.05 0.00 -0.96 0.00 0.00 56.93 57.94 1xsk s PHE 712 Cb 0.11 0.55 -0.02 0.00 -0.34 0.00 0.00 43.02 43.32 1xsk s PHE 712 CO 0.63 -0.49 -0.20 0.99 -1.46 0.00 0.00 175.22 174.69 1xsk s THR 713 N 1.69 2.52 -0.09 0.12 2.01 0.10 -0.41 115.64 121.57 1xsk s THR 713 Ca -0.09 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1xsk s THR 713 Cb -0.06 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.50 1xsk s THR 713 CO -0.18 0.57 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.99 1xsk s LEU 714 N -0.30 1.49 0.06 4.42 1.98 -0.50 -0.43 118.68 125.41 1xsk s LEU 714 Ca 0.01 -0.32 0.09 0.00 -2.89 0.00 0.00 54.13 51.03 1xsk s LEU 714 Cb -0.13 -0.86 -0.03 0.00 0.66 0.00 0.00 46.19 45.83 1xsk s LEU 714 CO 0.03 -0.03 -0.25 -0.54 -1.89 0.00 0.00 176.35 173.67 1xsk s LYS 715 N 1.10 1.62 -0.21 1.98 1.02 0.40 -0.93 119.74 124.71 1xsk s LYS 715 Ca -0.06 -1.12 -0.03 0.00 0.02 0.00 0.00 55.97 54.78 1xsk s LYS 715 Cb -0.14 -1.84 0.07 0.00 -0.52 0.00 0.00 37.83 35.39 1xsk s LYS 715 CO -0.02 0.47 0.05 0.00 -0.92 0.00 0.00 175.35 174.93 1xsk s ALA 716 N -0.87 1.03 -0.12 5.17 0.00 -0.44 -1.23 121.76 125.30 1xsk s ALA 716 Ca 0.11 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1xsk s ALA 716 Cb -0.10 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1xsk s ALA 716 CO 0.03 -1.25 -0.07 0.00 0.00 0.00 0.00 175.76 174.47 1xsk s ALA 717 N 1.85 2.88 -0.19 0.00 0.00 0.18 -1.31 121.76 125.18 1xsk s ALA 717 Ca 0.01 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 1xsk s ALA 717 Cb -0.17 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1xsk s ALA 717 CO -0.11 0.32 0.06 0.50 0.00 0.00 0.00 175.76 176.53 1xsk s ARG 718 N 0.03 3.94 -0.22 0.00 3.52 -0.68 0.72 118.95 126.26 1xsk s ARG 718 Ca -0.01 -0.36 -0.03 0.00 -0.13 0.00 0.00 55.73 55.20 1xsk s ARG 718 Cb -0.14 -3.21 -0.13 0.00 -1.56 0.00 0.00 34.95 29.91 1xsk s ARG 718 CO 0.03 0.24 -0.22 -2.37 -0.81 0.00 0.00 175.30 172.17 1xsk n THR 719 N 3.63 1.24 0.03 4.11 5.66 0.11 -1.38 114.28 127.68 1xsk n THR 719 Ca -0.17 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 1xsk n THR 719 Cb 0.52 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.87 1xsk n THR 719 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsk n GLY 720 N 2.18 -0.98 0.38 1.09 0.00 -1.26 -4.43 105.19 102.16 1xsk n GLY 720 Ca -0.40 0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.63 0.00 -4.04 1.61 4.13 -1.26 -4.88 115.26 108.19 1xsk n ASN 721 Ca 0.00 -1.64 -0.31 0.00 1.68 0.00 0.00 54.58 54.30 1xsk n ASN 721 Cb 0.00 -0.13 -0.16 0.00 -1.54 0.00 0.00 39.78 37.96 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 1.90 -0.21 3.41 2.01 -1.26 0.43 115.64 121.93 1xsk s THR 722 Ca 0.00 -1.25 -0.05 0.00 0.31 0.00 0.00 61.69 60.70 1xsk s THR 722 Cb 0.00 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1xsk s THR 722 CO 0.00 0.14 0.00 0.27 -0.69 0.00 0.00 174.62 174.34 1xsk s ILE 723 N 1.27 3.94 -0.16 1.82 -4.36 0.40 -0.71 121.20 123.40 1xsk s ILE 723 Ca -0.03 -0.32 -0.14 0.00 -0.26 0.00 0.00 60.65 59.90 1xsk s ILE 723 Cb -0.17 -2.79 -0.05 0.00 1.25 0.00 0.00 42.46 40.70 1xsk s ILE 723 CO -0.08 0.42 0.30 -0.89 0.24 0.00 0.00 174.94 174.93 1xsk s THR 724 N 1.10 5.30 -0.27 8.37 2.01 0.22 -1.38 115.64 130.99 1xsk s THR 724 Ca 0.02 0.56 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 1xsk s THR 724 Cb -0.14 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1xsk s THR 724 CO 0.01 0.40 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.62 1xsk s VAL 725 N 0.41 3.00 -0.01 3.82 1.01 -0.82 -0.64 120.40 127.18 1xsk s VAL 725 Ca 0.17 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1xsk s VAL 725 Cb -0.13 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1xsk s VAL 725 CO 0.04 0.11 -0.16 0.42 0.00 0.00 0.00 175.10 175.51 1xsk s THR 726 N 1.32 1.29 0.14 3.92 -4.23 -0.36 -4.06 115.64 113.65 1xsk s THR 726 Ca -0.01 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 59.84 1xsk s THR 726 Cb -0.17 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1xsk s THR 726 CO -0.03 0.34 -0.16 -0.83 -0.54 0.00 0.00 174.62 173.40 1xsk s GLY 727 N -0.45 1.24 -0.04 3.99 0.00 -1.26 -0.45 107.32 110.35 1xsk s GLY 727 Ca 0.06 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.36 1xsk s GLY 727 CO -0.00 -1.45 0.08 0.00 0.00 0.00 0.00 173.10 171.72 1xsk s ALA 728 N -2.11 -0.13 0.00 3.20 0.00 0.43 -4.99 121.76 118.16 1xsk s ALA 728 Ca 0.13 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1xsk s ALA 728 Cb -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1xsk s ALA 728 CO 0.05 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1xsk n GLY 729 N 3.68 -0.22 3.58 0.00 0.00 -1.26 0.01 105.19 110.97 1xsk n GLY 729 Ca -0.21 -2.22 -0.37 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 3.90 0.07 1.61 2.12 -0.21 -4.95 118.70 121.25 1xsk s GLU 730 Ca 0.00 -0.35 -0.20 0.00 0.36 0.00 0.00 54.97 54.77 1xsk s GLU 730 Cb 0.00 -3.46 0.05 0.00 0.26 0.00 0.00 34.13 30.98 1xsk s GLU 730 CO 0.00 -0.04 0.48 0.00 -0.54 0.00 0.00 175.26 175.16 1xsk s ALA 731 N 1.29 -1.21 0.05 6.30 0.00 -1.26 -4.47 121.76 122.45 1xsk s ALA 731 Ca 0.06 0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.39 1xsk s ALA 731 Cb -0.14 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1xsk s ALA 731 CO 0.05 -0.54 0.06 0.15 0.00 0.00 0.00 175.76 175.48 1xsk s LYS 732 N -2.81 0.60 -1.14 0.00 3.01 -0.82 -4.92 119.74 113.65 1xsk s LYS 732 Ca -0.03 -0.89 -0.14 0.00 -1.01 0.00 0.00 55.97 53.89 1xsk s LYS 732 Cb -0.00 0.23 0.14 0.00 -1.01 0.00 0.00 37.83 37.19 1xsk s LYS 732 CO -0.05 -0.14 0.36 -1.71 0.51 0.00 0.00 175.35 174.32 1xsk n ASN 733 N 0.57 -1.18 -4.92 2.83 2.85 -1.26 -1.33 115.26 112.82 1xsk n ASN 733 Ca -0.18 -0.72 -0.26 0.00 -0.11 0.00 0.00 54.58 53.32 1xsk n ASN 733 Cb 0.59 -1.04 0.04 0.00 1.24 0.00 0.00 39.78 40.61 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 -2.40 3.12 0.13 1.20 1.48 -1.26 -3.68 118.94 117.52 1xsk s TRP 734 Ca 0.51 0.54 -0.01 0.00 -1.06 0.00 0.00 56.10 56.08 1xsk s TRP 734 Cb -0.30 -2.90 -0.04 0.00 -1.16 0.00 0.00 33.47 29.08 1xsk s TRP 734 CO 0.62 -1.03 0.06 0.99 -4.06 0.00 0.00 176.95 173.53 1xsk s THR 735 N -3.07 0.10 -0.04 0.66 2.01 -0.87 -4.59 115.64 109.84 1xsk s THR 735 Ca 0.56 -1.89 -0.00 0.00 0.31 0.00 0.00 61.69 60.67 1xsk s THR 735 Cb -0.11 -2.03 0.03 0.00 0.01 0.00 0.00 72.50 70.40 1xsk s THR 735 CO 0.45 -0.46 0.00 -0.22 -0.69 0.00 0.00 174.62 173.70 1xsk s LEU 736 N -3.04 0.94 -0.13 4.42 1.98 -0.71 -1.09 118.68 121.05 1xsk s LEU 736 Ca 0.24 -0.04 -0.02 0.00 -2.89 0.00 0.00 54.13 51.42 1xsk s LEU 736 Cb 0.07 -0.29 -0.02 0.00 0.66 0.00 0.00 46.19 46.61 1xsk s LEU 736 CO 0.02 -0.13 -0.07 0.00 -1.89 0.00 0.00 176.35 174.27 1xsk s LEU 738 N 0.06 5.88 0.10 0.00 1.43 0.21 -1.23 118.68 125.12 1xsk s LEU 738 Ca -0.02 -2.63 -0.36 0.00 -1.03 0.00 0.00 54.13 50.09 1xsk s LEU 738 Cb -0.14 -2.30 -0.17 0.00 0.03 0.00 0.00 46.19 43.61 1xsk s LEU 738 CO 0.03 -0.73 1.31 0.54 0.23 0.00 0.00 176.35 177.74 1xsk n ARG 739 N 4.93 1.14 -2.10 1.70 5.12 -1.04 -0.17 116.66 126.26 1xsk n ARG 739 Ca 0.22 0.41 -0.21 0.00 -1.93 0.00 0.00 57.85 56.34 1xsk n ARG 739 Cb 0.46 -2.03 -0.04 0.00 -1.16 0.00 0.00 32.46 29.69 1xsk n ARG 739 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xsk n ASN 740 N 2.45 -5.71 -3.97 0.55 3.02 0.15 -4.71 115.26 107.04 1xsk n ASN 740 Ca 0.18 0.19 -0.30 0.00 -0.03 0.00 0.00 54.58 54.62 1xsk n ASN 740 Cb 0.20 -4.86 -0.14 0.00 -0.61 0.00 0.00 39.78 34.36 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 -2.92 2.51 0.00 2.41 1.01 0.77 -5.00 120.40 119.17 1xsk s VAL 741 Ca 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 61.98 58.90 1xsk s VAL 741 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1xsk s VAL 741 CO 0.00 -0.75 0.25 1.33 0.00 0.00 0.00 175.10 175.93 1xsk n VAL 742 N 3.39 0.00 -3.49 2.92 0.24 -1.26 0.86 118.33 120.99 1xsk n VAL 742 Ca 0.05 0.57 -0.38 0.00 -2.04 0.00 0.00 64.34 62.54 1xsk n VAL 742 Cb 0.35 -1.21 -0.06 0.00 -1.47 0.00 0.00 33.84 31.44 1xsk n VAL 742 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1xsk s LYS 743 N -0.95 4.05 -0.01 7.34 2.20 -1.26 -4.40 119.74 126.70 1xsk s LYS 743 Ca 0.00 0.33 0.05 0.00 -0.36 0.00 0.00 55.97 55.98 1xsk s LYS 743 Cb 0.00 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1xsk s LYS 743 CO 0.00 0.49 -0.15 0.54 -0.36 0.00 0.00 175.35 175.87 1xsk s VAL 744 N -0.39 1.17 0.00 4.02 0.11 -1.26 -4.61 120.40 119.43 1xsk s VAL 744 Ca 0.22 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 1xsk s VAL 744 Cb -0.15 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 1xsk s VAL 744 CO 0.10 0.33 0.77 -3.20 -3.33 0.00 0.00 175.10 169.78 1xsk n ASN 745 N 2.73 0.00 -3.86 3.54 5.15 -0.60 -4.92 115.26 117.29 1xsk n ASN 745 Ca -0.14 0.77 -0.23 0.00 -0.60 0.00 0.00 54.58 54.38 1xsk n ASN 745 Cb 0.55 -0.27 -0.08 0.00 -0.53 0.00 0.00 39.78 39.44 1xsk n ASN 745 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1xsk s GLY 746 N -0.55 2.49 -0.21 8.20 0.00 -1.01 -5.01 107.32 111.23 1xsk s GLY 746 Ca 0.00 -1.52 -0.18 0.00 0.00 0.00 0.00 44.72 43.02 1xsk s GLY 746 CO 0.00 -1.70 0.55 -2.27 0.00 0.00 0.00 173.10 169.68 1xsk s LEU 747 N -3.52 -0.15 -0.01 0.66 0.20 -1.26 -2.01 118.68 112.59 1xsk s LEU 747 Ca 0.30 1.12 0.06 0.00 0.69 0.00 0.00 54.13 56.29 1xsk s LEU 747 Cb 0.03 1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 47.64 1xsk s LEU 747 CO 0.19 -0.19 -0.18 -1.10 -0.29 0.00 0.00 176.35 174.78 1xsk s GLN 748 N 0.45 2.27 -1.20 1.98 -1.52 0.14 -4.70 119.66 117.07 1xsk s GLN 748 Ca -0.01 -0.84 -0.00 0.00 -1.95 0.00 0.00 55.36 52.55 1xsk s GLN 748 Cb -0.04 -2.25 0.00 0.00 -0.22 0.00 0.00 33.01 30.50 1xsk s GLN 748 CO -0.01 0.58 0.01 -0.25 -0.25 0.00 0.00 175.29 175.37 1xsk n ASP 749 N 2.03 -4.31 -3.58 5.90 9.92 -1.26 -1.77 116.55 123.47 1xsk n ASP 749 Ca -0.17 0.14 -0.10 0.00 -0.53 0.00 0.00 54.79 54.13 1xsk n ASP 749 Cb 0.52 -3.64 -0.05 0.00 -0.64 0.00 0.00 41.12 37.31 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 -2.05 -0.27 0.32 0.44 0.00 -1.26 -1.73 107.32 102.77 1xsk s GLY 750 Ca 0.01 2.01 0.06 0.00 0.00 0.00 0.00 44.72 46.80 1xsk s GLY 750 CO 0.01 1.01 0.46 -1.35 0.00 0.00 0.00 173.10 173.23 1xsk s SER 751 N -1.15 6.05 0.34 1.64 1.04 -0.77 -4.90 113.70 115.95 1xsk s SER 751 Ca -0.01 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1xsk s SER 751 Cb -0.00 -1.42 -0.00 0.00 0.10 0.00 0.00 66.02 64.70 1xsk s SER 751 CO 0.01 -0.37 0.01 0.00 0.98 0.00 0.00 173.24 173.87 1xsk n GLN 752 N -1.63 1.09 -3.65 4.02 10.64 -1.26 -0.92 117.38 125.67 1xsk n GLN 752 Ca -0.02 -2.53 -0.04 0.00 -1.83 0.00 0.00 57.00 52.58 1xsk n GLN 752 Cb 0.58 0.77 -0.07 0.00 -0.86 0.00 0.00 30.24 30.65 1xsk n GLN 752 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsk s ALA 753 N -2.62 -2.19 0.58 2.61 0.00 -0.37 -4.93 121.76 114.84 1xsk s ALA 753 Ca 0.02 1.71 -0.15 0.00 0.00 0.00 0.00 51.96 53.54 1xsk s ALA 753 Cb 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 1xsk s ALA 753 CO 0.01 -0.12 1.03 -1.21 0.00 0.00 0.00 175.76 175.47 1xsk s GLU 754 N 0.04 3.55 0.09 0.00 2.02 -1.26 0.10 118.70 123.24 1xsk s GLU 754 Ca 0.07 1.03 -0.16 0.00 0.02 0.00 0.00 54.97 55.92 1xsk s GLU 754 Cb -0.05 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 32.14 1xsk s GLU 754 CO -0.14 -0.61 0.38 0.45 0.02 0.00 0.00 175.26 175.37 1xsk s SER 755 N -3.18 -0.22 0.41 -0.19 0.15 -1.22 -4.75 113.70 104.70 1xsk s SER 755 Ca 0.60 -0.21 0.16 0.00 0.70 0.00 0.00 55.95 57.20 1xsk s SER 755 Cb -0.13 0.44 0.88 0.00 -1.71 0.00 0.00 66.02 65.50 1xsk s SER 755 CO 0.39 -0.76 1.87 1.05 1.20 0.00 0.00 173.24 176.99 1xsk h GLU 756 N 2.69 0.00 0.00 5.44 4.11 -2.00 -2.62 114.58 122.19 1xsk h GLU 756 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 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 0.46 0.31 -0.64 1.04 0.07 0.00 0.00 179.01 180.25 1xsk n GLN 757 N -3.95 0.08 0.00 1.06 6.02 -1.26 -4.93 117.38 114.39 1xsk n GLN 757 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1xsk n GLN 757 Cb 0.37 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 1.46 3.44 3.64 1.08 0.00 -0.99 0.29 105.19 114.12 1xsk n GLY 758 Ca 0.05 -1.72 -0.45 0.00 0.00 0.00 0.00 46.02 43.90 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 2.57 -4.29 0.99 7.94 0.25 -3.43 117.00 121.03 1xsk n LEU 759 Ca 0.00 1.17 -0.35 0.00 -1.11 0.00 0.00 56.01 55.71 1xsk n LEU 759 Cb 0.00 -1.37 -0.14 0.00 0.53 0.00 0.00 43.42 42.45 1xsk n LEU 759 CO 0.00 -0.88 -0.37 -0.69 -1.11 0.00 0.00 177.39 174.34 1xsk s VAL 760 N -0.60 3.37 0.03 1.96 1.01 0.12 0.66 120.40 126.95 1xsk s VAL 760 Ca 0.63 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1xsk s VAL 760 Cb -0.68 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1xsk s VAL 760 CO 0.56 0.31 0.10 -0.69 0.00 0.00 0.00 175.10 175.38 1xsk s VAL 761 N 1.45 4.78 -0.16 2.92 1.01 0.17 -1.23 120.40 129.34 1xsk s VAL 761 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1xsk s VAL 761 Cb -0.15 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.02 1xsk s VAL 761 CO -0.03 0.26 -0.11 -0.75 0.00 0.00 0.00 175.10 174.48 1xsk s LYS 762 N -2.01 2.01 1.09 2.72 2.47 -0.10 -1.73 119.74 124.19 1xsk s LYS 762 Ca 0.26 -0.57 -0.12 0.00 -1.56 0.00 0.00 55.97 53.98 1xsk s LYS 762 Cb -0.12 -2.09 0.24 0.00 -1.46 0.00 0.00 37.83 34.40 1xsk s LYS 762 CO 0.18 -0.31 1.06 -1.25 0.16 0.00 0.00 175.35 175.19 1xsk s PRO 763 N 1.52 -0.32 0.00 4.03 0.04 -1.26 -1.85 135.00 137.16 1xsk s PRO 763 Ca 0.03 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1xsk s PRO 763 Cb -0.14 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1xsk s PRO 763 CO -0.09 -3.30 0.00 0.00 0.04 0.00 0.00 177.00 173.65 1xsk n GLN 764 N -4.60 0.00 0.00 4.56 10.64 -0.71 -4.82 117.38 122.45 1xsk n GLN 764 Ca 0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 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 1.11 4.86 2.61 0.00 -1.26 -4.51 105.19 108.00 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 0.00 -0.60 1.61 5.15 -1.26 -4.55 115.26 115.61 1xsk n ASN 766 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1xsk n ASN 766 Cb 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1xsk n ASN 766 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xsk n ALA 767 N 0.02 1.51 -1.68 5.20 0.00 -1.26 -4.52 120.51 119.78 1xsk n ALA 767 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1xsk n ALA 767 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 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 0.45 3.68 -3.79 0.00 -0.00 -1.25 -4.44 117.00 111.65 1xsk n LEU 768 Ca 0.00 0.97 -0.14 0.00 -0.00 0.00 0.00 56.01 56.84 1xsk n LEU 768 Cb 0.09 -1.44 -0.15 0.00 -0.00 0.00 0.00 43.42 41.92 1xsk n LEU 768 CO 0.00 0.02 -0.32 -0.89 -0.00 0.00 0.00 177.39 176.20 1xsk s THR 769 N 3.61 -0.04 0.03 1.96 2.01 -0.73 -1.94 115.64 120.53 1xsk s THR 769 Ca 0.89 0.14 0.04 0.00 0.31 0.00 0.00 61.69 63.07 1xsk s THR 769 Cb -0.60 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1xsk s THR 769 CO 0.46 0.06 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.76 1xsk s ILE 770 N 0.77 3.72 -0.22 1.82 1.09 -0.48 0.25 121.20 128.15 1xsk s ILE 770 Ca -0.06 -0.85 -0.00 0.00 -1.10 0.00 0.00 60.65 58.64 1xsk s ILE 770 Cb -0.09 -2.66 0.06 0.00 -1.06 0.00 0.00 42.46 38.71 1xsk s ILE 770 CO -0.03 0.32 -0.03 0.28 -0.10 0.00 0.00 174.94 175.38 1xsk s THR 771 N -1.08 1.27 0.73 2.92 -1.32 -0.85 -0.45 115.64 116.86 1xsk s THR 771 Ca 0.19 -1.03 -0.11 0.00 -1.21 0.00 0.00 61.69 59.53 1xsk s THR 771 Cb -0.11 -1.58 0.18 0.00 -1.51 0.00 0.00 72.50 69.47 1xsk s THR 771 CO 0.10 -0.11 0.40 0.18 -2.21 0.00 0.00 174.62 172.98 1xsk n LEU 772 N 4.77 0.00 0.00 9.08 7.99 0.17 -1.56 117.00 137.45 1xsk n LEU 772 Ca -0.11 -0.40 0.00 0.00 -0.01 0.00 0.00 56.01 55.48 1xsk n LEU 772 Cb 0.45 -0.50 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 1xsk n LEU 772 CO 0.17 -2.14 0.23 0.00 -1.51 0.00 0.00 177.39 174.14