#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 4.20 -0.07 2.12 -0.14 -1.26 -4.88 119.74 119.71 1xsk s LYS 2 Ca 0.00 2.40 -0.01 0.00 -1.36 0.00 0.00 55.97 57.00 1xsk s LYS 2 Cb 0.00 -3.16 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 1xsk s LYS 2 CO 0.00 -0.64 -0.07 -0.89 -0.76 0.00 0.00 175.35 172.99 1xsk n ILE 3 N 4.00 0.42 -3.62 2.17 5.41 -1.26 -4.90 119.36 121.58 1xsk n ILE 3 Ca 0.14 -0.14 -0.22 0.00 1.00 0.00 0.00 62.75 63.53 1xsk n ILE 3 Cb 0.38 -1.02 -0.01 0.00 -0.71 0.00 0.00 39.64 38.28 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 -5.01 6.22 -0.63 4.38 1.04 -1.26 -1.75 113.70 116.68 1xsk s SER 4 Ca -0.10 0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.55 1xsk s SER 4 Cb 0.03 -1.79 0.20 0.00 0.10 0.00 0.00 66.02 64.56 1xsk s SER 4 CO 0.16 -0.25 0.54 -0.67 0.98 0.00 0.00 173.24 173.99 1xsk n ASP 5 N -1.62 2.54 0.00 7.02 2.03 -0.53 -4.51 116.55 121.48 1xsk n ASP 5 Ca -0.05 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.13 1xsk n ASP 5 Cb 0.57 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 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 1.76 -2.11 0.15 0.27 0.00 -1.26 -3.22 105.19 100.78 1xsk n GLY 6 Ca 0.24 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 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 0.33 0.46 1.61 -1.24 -1.97 -3.37 115.58 111.40 1xsk h ASN 7 Ca 0.00 -0.23 -0.28 0.00 0.71 0.00 0.00 56.30 56.50 1xsk h ASN 7 Cb 0.00 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 38.90 1xsk h ASN 7 CO 0.00 0.97 -1.75 0.79 -1.29 0.00 0.00 177.43 176.15 1xsk n TRP 8 N -3.77 0.88 -4.09 0.67 7.02 -1.26 -5.01 117.44 111.87 1xsk n TRP 8 Ca -0.04 0.32 -0.27 0.00 -1.02 0.00 0.00 57.50 56.49 1xsk n TRP 8 Cb 0.73 -1.15 -0.03 0.00 -2.42 0.00 0.00 31.31 28.43 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 -5.98 2.71 0.10 -0.99 1.43 -1.20 -5.03 118.68 109.72 1xsk s LEU 9 Ca -0.05 -1.29 0.07 0.00 -1.03 0.00 0.00 54.13 51.83 1xsk s LEU 9 Cb 0.08 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 1xsk s LEU 9 CO 0.82 -0.95 -0.17 -0.63 0.23 0.00 0.00 176.35 175.66 1xsk s ILE 10 N -2.76 1.44 0.15 -0.59 1.01 -1.26 -1.45 121.20 117.74 1xsk s ILE 10 Ca 0.30 -1.55 -0.33 0.00 0.00 0.00 0.00 60.65 59.06 1xsk s ILE 10 Cb -0.01 -1.42 -0.13 0.00 0.01 0.00 0.00 42.46 40.91 1xsk s ILE 10 CO 0.18 -0.23 1.63 0.00 0.00 0.00 0.00 174.94 176.52 1xsk n GLN 11 N 0.93 2.27 -1.57 2.79 1.13 -0.72 -4.60 117.38 117.62 1xsk n GLN 11 Ca -0.18 0.82 -0.53 0.00 -1.94 0.00 0.00 57.00 55.16 1xsk n GLN 11 Cb 0.55 -2.61 -0.06 0.00 0.11 0.00 0.00 30.24 28.23 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 3.78 0.88 -0.62 -1.09 -0.02 -1.26 -1.84 135.00 134.83 1xsk n PRO 12 Ca 0.17 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1xsk n PRO 12 Cb 0.30 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.24 0.91 3.82 -1.23 0.00 -1.26 -4.88 105.19 104.79 1xsk n GLY 13 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 4.30 -0.20 0.99 1.43 -0.77 -0.40 118.68 124.03 1xsk s LEU 14 Ca 0.00 0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1xsk s LEU 14 Cb 0.00 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.17 1xsk s LEU 14 CO 0.00 0.33 -0.14 0.20 0.23 0.00 0.00 176.35 176.97 1xsk s ASN 15 N -0.56 3.64 0.00 2.29 0.01 -0.64 -4.91 114.94 114.78 1xsk s ASN 15 Ca 0.12 -0.67 0.03 0.00 -0.71 0.00 0.00 52.86 51.64 1xsk s ASN 15 Cb -0.12 -1.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.94 1xsk s ASN 15 CO 0.02 -0.03 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.76 1xsk s LEU 16 N 1.33 3.23 -0.03 0.60 1.43 -1.26 -0.69 118.68 123.29 1xsk s LEU 16 Ca 0.04 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1xsk s LEU 16 Cb -0.14 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.23 1xsk s LEU 16 CO -0.09 0.28 -0.06 0.27 0.23 0.00 0.00 176.35 176.98 1xsk s ILE 17 N -1.02 0.55 0.15 -0.59 -4.36 -0.86 -5.01 121.20 110.06 1xsk s ILE 17 Ca 0.18 -0.20 0.10 0.00 -0.26 0.00 0.00 60.65 60.46 1xsk s ILE 17 Cb -0.11 -0.52 -0.04 0.00 1.25 0.00 0.00 42.46 43.04 1xsk s ILE 17 CO 0.08 0.20 -0.22 -1.00 0.24 0.00 0.00 174.94 174.24 1xsk s HIS 18 N 0.44 2.04 -0.26 1.37 3.76 -1.26 -1.33 115.29 120.05 1xsk s HIS 18 Ca -0.06 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.15 1xsk s HIS 18 Cb -0.10 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.56 1xsk s HIS 18 CO 0.00 0.36 1.05 -1.25 -0.85 0.00 0.00 174.74 174.05 1xsk s PRO 19 N -2.45 4.20 0.00 8.40 0.04 -1.26 -3.79 135.00 140.14 1xsk s PRO 19 Ca 0.15 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1xsk s PRO 19 Cb -0.08 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1xsk s PRO 19 CO 0.07 -0.71 0.31 1.28 0.04 0.00 0.00 177.00 177.99 1xsk n LEU 20 N 6.49 0.62 -3.63 -3.56 4.77 0.88 -4.51 117.00 118.05 1xsk n LEU 20 Ca 0.12 -0.78 -0.05 0.00 -0.03 0.00 0.00 56.01 55.27 1xsk n LEU 20 Cb 0.46 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1xsk n LEU 20 CO 0.54 0.15 0.48 -1.58 -1.33 0.00 0.00 177.39 175.66 1xsk s GLN 21 N -0.33 0.56 0.19 3.23 0.74 -1.02 -4.30 119.66 118.74 1xsk s GLN 21 Ca 0.00 1.00 -0.30 0.00 0.05 0.00 0.00 55.36 56.11 1xsk s GLN 21 Cb 0.00 0.16 -0.09 0.00 1.10 0.00 0.00 33.01 34.18 1xsk s GLN 21 CO 0.00 -0.12 1.34 0.08 -0.55 0.00 0.00 175.29 176.03 1xsk s VAL 22 N 1.61 3.17 -0.14 1.34 1.01 -1.26 -0.76 120.40 125.37 1xsk s VAL 22 Ca -0.09 0.94 0.07 0.00 0.00 0.00 0.00 61.98 62.90 1xsk s VAL 22 Cb -0.05 -3.60 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 1xsk s VAL 22 CO -0.18 0.13 -0.03 0.33 0.00 0.00 0.00 175.10 175.35 1xsk n PHE 23 N 2.83 0.00 -3.57 5.22 7.35 0.78 -4.78 117.46 125.28 1xsk n PHE 23 Ca 0.07 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.62 1xsk n PHE 23 Cb 0.42 -0.61 -0.06 0.00 0.35 0.00 0.00 39.48 39.59 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 -2.31 0.85 -0.03 -4.13 2.12 -1.10 -5.02 118.70 109.08 1xsk s GLU 24 Ca -0.13 0.47 0.06 0.00 0.36 0.00 0.00 54.97 55.74 1xsk s GLU 24 Cb 0.04 0.40 -0.01 0.00 0.26 0.00 0.00 34.13 34.83 1xsk s GLU 24 CO 0.44 -0.21 -0.22 0.08 -0.54 0.00 0.00 175.26 174.82 1xsk s VAL 25 N -0.60 1.75 -0.03 3.70 1.01 -1.26 -0.90 120.40 124.07 1xsk s VAL 25 Ca -0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1xsk s VAL 25 Cb -0.02 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1xsk s VAL 25 CO 0.04 0.49 0.06 -0.70 0.00 0.00 0.00 175.10 175.00 1xsk s GLU 26 N -0.28 0.03 -0.22 2.72 2.12 0.67 -5.01 118.70 118.73 1xsk s GLU 26 Ca 0.02 0.18 -0.13 0.00 0.36 0.00 0.00 54.97 55.40 1xsk s GLU 26 Cb -0.11 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 1xsk s GLU 26 CO 0.01 -0.10 0.28 -1.14 -0.54 0.00 0.00 175.26 173.77 1xsk s GLN 27 N 0.66 4.13 -0.58 4.30 0.74 -1.26 -0.34 119.66 127.30 1xsk s GLN 27 Ca -0.05 -0.03 0.04 0.00 0.05 0.00 0.00 55.36 55.37 1xsk s GLN 27 Cb -0.07 -3.54 0.14 0.00 1.10 0.00 0.00 33.01 30.64 1xsk s GLN 27 CO -0.02 0.01 0.34 -0.65 -0.55 0.00 0.00 175.29 174.42 1xsk s GLN 28 N 1.17 2.14 7.33 1.67 -0.21 0.33 -5.00 119.66 127.10 1xsk s GLN 28 Ca 0.13 -2.87 0.00 0.00 0.02 0.00 0.00 55.36 52.65 1xsk s GLN 28 Cb -0.14 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.52 1xsk s GLN 28 CO 0.06 -1.17 0.00 -0.25 -2.12 0.00 0.00 175.29 171.81 1xsk n ASP 29 N 2.72 0.00 -2.13 5.90 8.00 -1.26 -2.08 116.55 127.69 1xsk n ASP 29 Ca 0.10 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.33 1xsk n ASP 29 Cb 0.33 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.55 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 9.81 5.53 -3.93 -2.24 6.94 -1.26 -4.91 115.26 125.19 1xsk n ASN 30 Ca 0.00 -3.73 -0.14 0.00 -0.02 0.00 0.00 54.58 50.69 1xsk n ASN 30 Cb 0.00 -0.84 -0.14 0.00 -2.36 0.00 0.00 39.78 36.45 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 -3.57 0.27 -0.18 -3.83 2.02 -0.89 -4.60 118.70 107.93 1xsk s GLU 31 Ca 0.59 -0.16 -0.04 0.00 0.02 0.00 0.00 54.97 55.38 1xsk s GLU 31 Cb 0.48 -0.23 -0.02 0.00 0.10 0.00 0.00 34.13 34.45 1xsk s GLU 31 CO 0.04 0.06 -0.04 1.41 0.02 0.00 0.00 175.26 176.74 1xsk s MET 32 N -0.20 3.54 -0.19 1.61 -2.45 -0.43 -0.51 119.30 120.68 1xsk s MET 32 Ca 0.00 -0.57 -0.03 0.00 -1.25 0.00 0.00 55.69 53.84 1xsk s MET 32 Cb -0.02 -2.94 -0.01 0.00 1.25 0.00 0.00 34.83 33.11 1xsk s MET 32 CO -0.00 0.07 -0.05 0.08 1.05 0.00 0.00 175.02 176.17 1xsk s VAL 33 N 0.80 3.46 -0.20 10.11 1.01 0.54 -0.11 120.40 136.01 1xsk s VAL 33 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1xsk s VAL 33 Cb -0.15 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1xsk s VAL 33 CO 0.02 0.45 -0.16 -0.69 0.00 0.00 0.00 175.10 174.72 1xsk s VAL 34 N 1.04 2.34 -0.30 2.92 1.01 0.13 -0.24 120.40 127.30 1xsk s VAL 34 Ca 0.01 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1xsk s VAL 34 Cb -0.15 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1xsk s VAL 34 CO 0.00 0.47 0.41 -0.31 0.00 0.00 0.00 175.10 175.68 1xsk s TYR 35 N 1.32 3.22 -0.02 5.22 2.02 -0.08 -0.28 117.35 128.75 1xsk s TYR 35 Ca 0.04 0.27 0.08 0.00 -0.37 0.00 0.00 57.07 57.09 1xsk s TYR 35 Cb -0.14 -2.69 -0.02 0.00 -0.40 0.00 0.00 41.96 38.71 1xsk s TYR 35 CO -0.10 -0.35 -0.25 0.00 -1.57 0.00 0.00 175.55 173.27 1xsk s ALA 36 N 2.15 2.19 0.21 3.71 0.00 -0.24 -0.16 121.76 129.63 1xsk s ALA 36 Ca 0.16 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1xsk s ALA 36 Cb -0.16 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1xsk s ALA 36 CO 0.11 0.53 0.38 0.00 0.00 0.00 0.00 175.76 176.78 1xsk s ALA 37 N -0.60 3.86 -2.11 0.00 0.00 0.06 -1.11 121.76 121.86 1xsk s ALA 37 Ca 0.09 -0.91 0.30 0.00 0.00 0.00 0.00 51.96 51.45 1xsk s ALA 37 Cb -0.10 -1.94 1.67 0.00 0.00 0.00 0.00 23.12 22.75 1xsk s ALA 37 CO -0.01 0.40 2.09 -2.30 0.00 0.00 0.00 175.76 175.95 1xsk n PRO 38 N -0.79 1.15 -3.84 0.00 -0.02 -1.25 -0.08 135.00 130.18 1xsk n PRO 38 Ca -0.06 -0.22 -0.07 0.00 -2.02 0.00 0.00 63.50 61.14 1xsk n PRO 38 Cb 0.54 -1.49 -0.01 0.00 -0.02 0.00 0.00 33.50 32.53 1xsk n PRO 38 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1xsk s ARG 39 N -2.00 1.74 -0.20 -0.52 1.70 -1.26 -4.71 118.95 113.69 1xsk s ARG 39 Ca 0.45 -0.99 -0.29 0.00 -0.47 0.00 0.00 55.73 54.43 1xsk s ARG 39 Cb 0.21 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 35.13 1xsk s ARG 39 CO 0.35 -0.80 1.84 0.34 -1.08 0.00 0.00 175.30 175.96 1xsk s ASP 40 N -2.96 6.08 -0.31 -2.89 2.15 -1.26 -4.76 116.67 112.72 1xsk s ASP 40 Ca 0.12 1.78 0.07 0.00 0.43 0.00 0.00 52.55 54.95 1xsk s ASP 40 Cb -0.05 -2.53 0.46 0.00 -0.30 0.00 0.00 42.92 40.50 1xsk s ASP 40 CO 0.07 -1.48 1.28 1.33 -0.17 0.00 0.00 175.17 176.20 1xsk n VAL 41 N 6.80 2.59 0.22 1.11 0.24 -1.26 -4.73 118.33 123.29 1xsk n VAL 41 Ca 0.22 -3.92 0.11 0.00 -2.04 0.00 0.00 64.34 58.71 1xsk n VAL 41 Cb 0.45 -0.99 0.40 0.00 -1.47 0.00 0.00 33.84 32.23 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 1.96 0.00 -5.89 7.34 3.08 -1.94 -3.44 114.38 115.49 1xsk h ARG 42 Ca 0.34 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.74 1xsk h ARG 42 Cb 1.42 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.40 1xsk h ARG 42 CO 0.72 0.17 -0.53 -1.21 -1.07 0.00 0.00 179.97 178.05 1xsk s GLU 43 N -3.48 3.26 0.31 0.04 0.41 -1.26 -5.00 118.70 112.98 1xsk s GLU 43 Ca 0.02 -0.40 0.01 0.00 -0.41 0.00 0.00 54.97 54.20 1xsk s GLU 43 Cb 0.09 -2.99 0.56 0.00 -1.78 0.00 0.00 34.13 30.01 1xsk s GLU 43 CO 0.64 0.66 1.94 0.00 -0.49 0.00 0.00 175.26 178.00 1xsk h ARG 44 N 3.95 0.96 -0.34 1.61 2.47 -1.98 -1.79 114.38 119.26 1xsk h ARG 44 Ca -0.49 -0.06 0.10 0.00 -1.26 0.00 0.00 59.98 58.27 1xsk h ARG 44 Cb 1.19 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 29.28 1xsk h ARG 44 CO 0.66 0.63 0.32 0.00 0.56 0.00 0.00 179.97 182.14 1xsk h THR 45 N 0.99 0.52 -0.42 2.04 1.03 -1.96 0.50 112.91 115.62 1xsk h THR 45 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.75 1xsk h THR 45 Cb 0.14 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 67.97 1xsk h THR 45 CO -0.12 0.00 0.00 0.79 -0.01 0.00 0.00 175.52 176.18 1xsk n TRP 46 N -3.94 0.54 -1.46 0.00 7.02 -0.68 -4.55 117.44 114.37 1xsk n TRP 46 Ca 0.05 -0.28 -0.26 0.00 -1.02 0.00 0.00 57.50 55.99 1xsk n TRP 46 Cb 0.49 -0.00 -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 1.47 2.37 -3.57 -0.99 6.02 0.17 -4.81 117.38 118.04 1xsk n GLN 47 Ca 0.19 -2.28 -0.05 0.00 -0.01 0.00 0.00 57.00 54.85 1xsk n GLN 47 Cb 0.60 -2.13 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 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 -2.09 -0.20 -1.17 1.08 0.05 -1.26 -5.02 118.68 110.07 1xsk s LEU 48 Ca 0.59 -0.01 -0.07 0.00 0.05 0.00 0.00 54.13 54.68 1xsk s LEU 48 Cb 0.38 1.57 -0.03 0.00 -2.05 0.00 0.00 46.19 46.06 1xsk s LEU 48 CO -0.21 -0.35 0.83 0.47 -0.55 0.00 0.00 176.35 176.54 1xsk n ASP 49 N -0.15 -4.08 -3.59 1.48 8.00 -1.26 -5.01 116.55 111.93 1xsk n ASP 49 Ca -0.02 -0.80 -0.13 0.00 0.71 0.00 0.00 54.79 54.54 1xsk n ASP 49 Cb 0.59 -4.42 -0.06 0.00 -0.02 0.00 0.00 41.12 37.21 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 -3.49 0.00 1.01 -3.53 -1.32 -1.26 -5.16 115.64 101.89 1xsk s THR 50 Ca 0.27 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.63 1xsk s THR 50 Cb -0.06 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.12 1xsk s THR 50 CO 0.79 0.00 1.08 -2.84 -2.21 0.00 0.00 174.62 171.44 1xsk s PRO 51 N -0.52 0.35 -0.24 7.08 0.02 -1.26 -5.05 135.00 135.38 1xsk s PRO 51 Ca -0.03 0.86 -0.04 0.00 0.02 0.00 0.00 61.00 61.81 1xsk s PRO 51 Cb -0.02 -1.70 0.12 0.00 0.02 0.00 0.00 34.50 32.92 1xsk s PRO 51 CO 0.02 -2.87 0.43 -1.17 -0.33 0.00 0.00 177.00 173.08 1xsk s LEU 52 N -6.64 -0.75 0.18 -5.54 1.98 -1.26 -4.31 118.68 102.33 1xsk s LEU 52 Ca 0.66 0.64 -0.25 0.00 -2.89 0.00 0.00 54.13 52.29 1xsk s LEU 52 Cb -0.21 1.38 -0.08 0.00 0.66 0.00 0.00 46.19 47.94 1xsk s LEU 52 CO 0.60 -0.27 0.78 -0.36 -1.89 0.00 0.00 176.35 175.21 1xsk s PHE 53 N 2.62 3.88 -0.32 5.38 0.40 -0.27 -4.83 117.98 124.84 1xsk s PHE 53 Ca 0.08 1.61 -0.02 0.00 -0.60 0.00 0.00 56.93 58.00 1xsk s PHE 53 Cb -0.14 -2.76 0.06 0.00 0.51 0.00 0.00 43.02 40.69 1xsk s PHE 53 CO -0.15 0.49 0.04 0.99 0.70 0.00 0.00 175.22 177.28 1xsk s THR 54 N -1.20 3.10 -0.30 0.64 2.01 -0.98 -1.08 115.64 117.83 1xsk s THR 54 Ca 0.37 -1.46 -0.10 0.00 0.31 0.00 0.00 61.69 60.81 1xsk s THR 54 Cb -0.22 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1xsk s THR 54 CO 0.26 -0.20 0.16 -0.76 -0.69 0.00 0.00 174.62 173.39 1xsk s LEU 55 N 1.25 4.04 -0.14 4.42 1.02 0.61 -2.08 118.68 127.80 1xsk s LEU 55 Ca -0.03 -0.35 -0.03 0.00 0.02 0.00 0.00 54.13 53.75 1xsk s LEU 55 Cb -0.20 -2.04 -0.03 0.00 0.02 0.00 0.00 46.19 43.95 1xsk s LEU 55 CO -0.01 -0.14 -0.05 -0.60 0.02 0.00 0.00 176.35 175.56 1xsk s ARG 56 N 1.66 3.55 -0.13 1.70 3.52 -0.74 0.19 118.95 128.70 1xsk s ARG 56 Ca 0.06 -0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 1xsk s ARG 56 Cb -0.17 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.36 1xsk s ARG 56 CO 0.07 0.28 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.67 1xsk s PHE 57 N 0.24 2.85 0.28 5.12 0.08 0.85 -1.32 117.98 126.07 1xsk s PHE 57 Ca -0.04 -0.59 -0.08 0.00 0.12 0.00 0.00 56.93 56.35 1xsk s PHE 57 Cb -0.14 -1.86 -0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1xsk s PHE 57 CO 0.03 -0.18 0.45 -0.59 -0.10 0.00 0.00 175.22 174.83 1xsk s PHE 58 N 0.35 0.70 -0.10 0.36 -0.71 -0.78 -1.31 117.98 116.49 1xsk s PHE 58 Ca -0.10 -1.01 -0.02 0.00 -1.04 0.00 0.00 56.93 54.76 1xsk s PHE 58 Cb -0.16 0.03 0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1xsk s PHE 58 CO 0.05 -1.03 0.02 0.45 -1.34 0.00 0.00 175.22 173.37 1xsk s SER 59 N -3.12 1.87 0.19 1.98 0.15 -1.26 -0.13 113.70 113.37 1xsk s SER 59 Ca 0.27 -0.26 0.24 0.00 0.70 0.00 0.00 55.95 56.90 1xsk s SER 59 Cb 0.00 -0.43 0.36 0.00 -1.71 0.00 0.00 66.02 64.24 1xsk s SER 59 CO 0.14 -0.23 1.38 1.55 1.20 0.00 0.00 173.24 177.28 1xsk h PRO 60 N 8.33 0.00 -1.84 5.44 0.13 -1.83 -3.42 132.00 138.82 1xsk h PRO 60 Ca -0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1xsk h PRO 60 Cb 1.13 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.05 1xsk h PRO 60 CO 0.27 0.00 0.32 -0.65 -0.23 0.00 0.00 178.00 177.70 1xsk s GLN 61 N -3.20 0.87 0.09 0.86 -0.21 -1.26 -1.93 119.66 114.89 1xsk s GLN 61 Ca 0.06 0.27 -0.35 0.00 0.02 0.00 0.00 55.36 55.36 1xsk s GLN 61 Cb 0.12 0.41 -0.15 0.00 1.00 0.00 0.00 33.01 34.39 1xsk s GLN 61 CO 0.71 -0.26 1.55 -1.91 -2.12 0.00 0.00 175.29 173.25 1xsk n GLU 62 N 0.98 1.80 -0.61 2.91 0.00 -1.26 -0.98 120.64 123.48 1xsk n GLU 62 Ca -0.16 0.65 0.00 0.00 0.00 0.00 0.00 57.16 57.66 1xsk n GLU 62 Cb 0.57 -2.39 0.00 0.00 0.00 0.00 0.00 31.44 29.62 1xsk n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xsk n GLY 63 N 3.29 0.77 3.03 8.31 0.00 -1.22 -4.92 105.19 114.46 1xsk n GLY 63 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.86 1.65 -0.30 -0.61 1.01 -0.15 -1.52 121.20 118.42 1xsk s ILE 64 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 1xsk s ILE 64 Cb 0.00 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.94 1xsk s ILE 64 CO 0.00 0.45 0.07 -0.69 0.00 0.00 0.00 174.94 174.77 1xsk s VAL 65 N 1.45 3.84 0.02 2.92 1.01 -0.65 -4.06 120.40 124.92 1xsk s VAL 65 Ca 0.05 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 1xsk s VAL 65 Cb -0.13 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1xsk s VAL 65 CO -0.11 0.03 0.59 -0.83 0.00 0.00 0.00 175.10 174.79 1xsk s GLY 66 N 1.46 2.63 -0.14 4.51 0.00 0.81 -1.42 107.32 115.18 1xsk s GLY 66 Ca 0.01 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.80 1xsk s GLY 66 CO 0.02 0.69 -0.21 0.14 0.00 0.00 0.00 173.10 173.74 1xsk s VAL 67 N -0.43 1.99 -0.32 1.40 1.01 0.82 -1.87 120.40 123.01 1xsk s VAL 67 Ca 0.31 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1xsk s VAL 67 Cb -0.19 -1.76 0.09 0.00 0.00 0.00 0.00 36.38 34.52 1xsk s VAL 67 CO 0.18 0.54 0.02 -0.60 0.00 0.00 0.00 175.10 175.24 1xsk s ARG 68 N 0.85 1.54 -0.42 2.72 3.52 -0.43 -1.24 118.95 125.48 1xsk s ARG 68 Ca -0.07 -1.69 -0.17 0.00 -0.13 0.00 0.00 55.73 53.68 1xsk s ARG 68 Cb -0.15 -3.03 0.02 0.00 -1.56 0.00 0.00 34.95 30.23 1xsk s ARG 68 CO -0.02 -0.87 0.42 0.42 -0.81 0.00 0.00 175.30 174.44 1xsk s ILE 69 N 1.01 5.11 0.08 4.11 1.01 0.82 -1.79 121.20 131.55 1xsk s ILE 69 Ca 0.07 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1xsk s ILE 69 Cb -0.19 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 1xsk s ILE 69 CO -0.09 -0.42 -0.19 -1.83 0.00 0.00 0.00 174.94 172.41 1xsk s GLU 70 N 2.07 1.13 0.00 2.79 -1.05 -0.88 -0.17 118.70 122.58 1xsk s GLU 70 Ca 0.11 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 1xsk s GLU 70 Cb -0.18 -1.31 0.00 0.00 -0.44 0.00 0.00 34.13 32.21 1xsk s GLU 70 CO 0.13 0.31 0.00 1.58 0.95 0.00 0.00 175.26 178.23 1xsk n HIS 71 N 1.37 0.00 -2.79 4.83 -0.00 0.48 -2.31 115.22 116.79 1xsk n HIS 71 Ca -0.19 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.12 1xsk n HIS 71 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.48 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 3.78 -2.27 1.57 0.08 -1.25 -4.83 117.98 115.79 1xsk s PHE 72 Ca 0.00 1.71 0.23 0.00 0.12 0.00 0.00 56.93 58.99 1xsk s PHE 72 Cb 0.00 -3.00 0.53 0.00 -0.57 0.00 0.00 43.02 39.98 1xsk s PHE 72 CO 0.00 0.21 1.47 1.04 -0.10 0.00 0.00 175.22 177.84 1xsk n GLN 73 N 2.87 2.59 0.11 0.44 6.02 -1.26 -4.33 117.38 123.81 1xsk n GLN 73 Ca 0.01 -2.44 0.12 0.00 -0.01 0.00 0.00 57.00 54.69 1xsk n GLN 73 Cb 0.50 -1.54 0.12 0.00 1.02 0.00 0.00 30.24 30.33 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 4.49 0.00 -1.71 1.08 0.00 -2.00 -3.48 103.07 101.46 1xsk h GLY 74 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1xsk h GLY 74 CO 0.00 0.00 -0.89 0.00 0.00 0.00 0.00 176.54 175.65 1xsk n ALA 75 N -2.01 -3.51 0.02 3.60 0.00 -1.26 -4.97 120.51 112.38 1xsk n ALA 75 Ca 0.02 -0.98 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 1xsk n ALA 75 Cb 0.50 -1.63 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.82 -0.11 -2.71 0.00 3.38 -1.98 -3.50 115.31 108.58 1xsk h LEU 76 Ca -0.49 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.02 1xsk h LEU 76 Cb 1.33 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1xsk h LEU 76 CO 0.36 0.47 -0.82 0.59 0.09 0.00 0.00 178.44 179.13 1xsk n ASN 77 N -4.87 -5.35 -4.65 -0.43 5.03 -1.26 -5.04 115.26 98.69 1xsk n ASN 77 Ca -0.08 1.04 -0.24 0.00 0.87 0.00 0.00 54.58 56.17 1xsk n ASN 77 Cb 0.28 -3.23 -0.08 0.00 -1.02 0.00 0.00 39.78 35.73 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 -0.64 4.25 1.05 6.41 0.01 -1.26 -5.13 114.94 119.62 1xsk s ASN 78 Ca -0.09 -0.98 -0.05 0.00 -0.71 0.00 0.00 52.86 51.03 1xsk s ASN 78 Cb 0.01 -0.55 0.08 0.00 0.41 0.00 0.00 41.25 41.19 1xsk s ASN 78 CO 0.36 -0.27 0.33 0.61 -1.51 0.00 0.00 177.10 176.61 1xsk n GLY 79 N -1.00 -2.12 3.85 0.66 0.00 -1.26 -4.62 105.19 100.69 1xsk n GLY 79 Ca -0.04 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 1xsk n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xsk s PRO 80 N -3.73 3.03 0.15 1.61 0.04 -1.26 -1.21 135.00 133.63 1xsk s PRO 80 Ca 0.20 0.75 0.11 0.00 0.04 0.00 0.00 61.00 62.10 1xsk s PRO 80 Cb -0.01 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1xsk s PRO 80 CO 0.15 -0.98 -0.24 -1.01 0.04 0.00 0.00 177.00 174.96 1xsk s HIS 81 N -3.16 2.36 0.55 0.56 3.76 -1.26 -4.85 115.29 113.25 1xsk s HIS 81 Ca 0.57 -0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 54.93 1xsk s HIS 81 Cb -0.12 -1.23 -0.06 0.00 1.11 0.00 0.00 32.58 32.28 1xsk s HIS 81 CO 0.54 0.41 1.11 0.66 -0.85 0.00 0.00 174.74 176.61 1xsk n TYR 82 N 0.62 1.39 -0.57 1.40 4.01 -1.26 -4.82 117.16 117.92 1xsk n TYR 82 Ca -0.15 0.46 -0.06 0.00 -0.16 0.00 0.00 57.90 57.98 1xsk n TYR 82 Cb 0.54 -2.23 -0.08 0.00 -0.31 0.00 0.00 39.34 37.26 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 -0.82 1.14 -1.89 -0.72 -0.04 -1.26 -4.93 135.00 126.48 1xsk n PRO 83 Ca 0.12 -0.48 -0.39 0.00 -0.04 0.00 0.00 63.50 62.70 1xsk n PRO 83 Cb 0.45 -1.65 0.01 0.00 -0.04 0.00 0.00 33.50 32.27 1xsk n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsk s LEU 84 N 0.00 4.08 -0.41 1.53 1.02 -1.26 -4.80 118.68 118.84 1xsk s LEU 84 Ca 0.32 2.78 -0.14 0.00 0.02 0.00 0.00 54.13 57.11 1xsk s LEU 84 Cb 0.15 -4.01 0.03 0.00 0.02 0.00 0.00 46.19 42.38 1xsk s LEU 84 CO 0.00 -1.15 0.29 0.20 0.02 0.00 0.00 176.35 175.70 1xsk s ASN 85 N -0.71 6.02 -0.22 2.29 0.01 0.19 -5.03 114.94 117.49 1xsk s ASN 85 Ca 0.62 -0.97 -0.00 0.00 -0.71 0.00 0.00 52.86 51.80 1xsk s ASN 85 Cb -0.41 -2.13 0.03 0.00 0.41 0.00 0.00 41.25 39.15 1xsk s ASN 85 CO 0.51 -0.45 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.90 1xsk s ILE 86 N 1.64 2.51 0.18 0.60 1.01 -1.26 -4.80 121.20 121.08 1xsk s ILE 86 Ca 0.04 -1.03 -0.28 0.00 0.00 0.00 0.00 60.65 59.38 1xsk s ILE 86 Cb -0.20 -2.21 -0.08 0.00 0.01 0.00 0.00 42.46 39.98 1xsk s ILE 86 CO 0.09 0.32 0.88 -0.76 0.00 0.00 0.00 174.94 175.46 1xsk s LEU 87 N 1.29 4.59 0.08 2.97 1.43 -0.81 -4.98 118.68 123.25 1xsk s LEU 87 Ca 0.01 1.79 0.25 0.00 -1.03 0.00 0.00 54.13 55.15 1xsk s LEU 87 Cb -0.16 -3.48 0.54 0.00 0.03 0.00 0.00 46.19 43.12 1xsk s LEU 87 CO -0.08 0.12 1.46 0.00 0.23 0.00 0.00 176.35 178.09 1xsk n GLN 88 N 1.85 0.17 -3.02 1.70 1.13 -1.26 -4.45 117.38 113.50 1xsk n GLN 88 Ca -0.02 0.06 -0.16 0.00 -1.94 0.00 0.00 57.00 54.94 1xsk n GLN 88 Cb 0.48 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 29.20 1xsk n GLN 88 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xsk n ASP 89 N -1.87 1.22 -4.75 1.08 5.75 -1.26 -5.02 116.55 111.69 1xsk n ASP 89 Ca 0.05 -2.97 -0.40 0.00 -0.01 0.00 0.00 54.79 51.45 1xsk n ASP 89 Cb 0.40 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 39.85 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 -2.76 3.53 -0.02 2.12 1.01 -1.26 -4.95 120.40 118.07 1xsk s VAL 90 Ca 0.37 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.54 1xsk s VAL 90 Cb 0.38 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 1xsk s VAL 90 CO -0.05 0.33 1.60 -0.75 0.00 0.00 0.00 175.10 176.23 1xsk s LYS 91 N -1.21 4.20 0.06 2.72 2.20 -1.26 -4.98 119.74 121.47 1xsk s LYS 91 Ca 0.46 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 1xsk s LYS 91 Cb -0.32 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 1xsk s LYS 91 CO 0.40 -0.78 -0.04 0.14 -0.36 0.00 0.00 175.35 174.71 1xsk s VAL 92 N 3.47 0.37 -0.12 4.02 -7.23 -1.26 -4.43 120.40 115.21 1xsk s VAL 92 Ca 0.71 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1xsk s VAL 92 Cb -0.34 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.18 1xsk s VAL 92 CO 0.29 -0.90 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.11 1xsk s THR 93 N -3.53 1.78 -0.19 5.32 2.01 -0.12 -4.97 115.64 115.94 1xsk s THR 93 Ca 0.06 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1xsk s THR 93 Cb 0.05 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.98 1xsk s THR 93 CO -0.07 0.50 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.55 1xsk s ILE 94 N 0.90 2.23 -0.24 1.82 1.01 -1.26 -0.79 121.20 124.88 1xsk s ILE 94 Ca -0.07 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1xsk s ILE 94 Cb -0.15 -1.97 0.06 0.00 0.01 0.00 0.00 42.46 40.42 1xsk s ILE 94 CO -0.02 0.50 -0.03 -1.83 0.00 0.00 0.00 174.94 173.56 1xsk s GLU 95 N 1.31 1.51 -0.51 2.79 -1.05 -0.54 -5.00 118.70 117.21 1xsk s GLU 95 Ca 0.05 -1.01 -0.12 0.00 -0.15 0.00 0.00 54.97 53.73 1xsk s GLU 95 Cb -0.13 -2.56 0.13 0.00 -0.44 0.00 0.00 34.13 31.12 1xsk s GLU 95 CO -0.11 -0.64 0.42 1.21 0.95 0.00 0.00 175.26 177.09 1xsk s ASN 96 N 1.40 5.92 0.50 0.83 2.47 -1.26 -1.47 114.94 123.34 1xsk s ASN 96 Ca -0.04 -1.90 0.06 0.00 0.42 0.00 0.00 52.86 51.40 1xsk s ASN 96 Cb -0.19 -2.10 0.01 0.00 -1.45 0.00 0.00 41.25 37.53 1xsk s ASN 96 CO -0.07 -0.75 0.37 0.42 -3.72 0.00 0.00 177.10 173.34 1xsk s THR 97 N 1.41 1.96 -1.38 -5.21 -4.23 -0.17 -4.99 115.64 103.02 1xsk s THR 97 Ca 0.05 -1.48 0.06 0.00 -1.18 0.00 0.00 61.69 59.14 1xsk s THR 97 Cb -0.27 -2.44 0.09 0.00 1.34 0.00 0.00 72.50 71.22 1xsk s THR 97 CO 0.01 0.00 1.04 1.21 -0.54 0.00 0.00 174.62 176.33 1xsk n GLU 98 N -1.66 0.07 0.00 3.99 4.07 -1.26 -3.19 120.64 122.66 1xsk n GLU 98 Ca -0.00 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 1xsk n GLU 98 Cb 0.64 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.52 1xsk n GLU 98 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1xsk n ARG 99 N -1.31 2.86 -4.16 5.31 0.63 -1.26 -4.91 116.66 113.81 1xsk n ARG 99 Ca 0.02 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.82 1xsk n ARG 99 Cb 0.05 -0.88 -0.08 0.00 0.45 0.00 0.00 32.46 31.99 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 -1.74 1.11 -0.14 -0.14 1.51 -1.19 -1.97 117.35 114.79 1xsk s TYR 100 Ca 0.00 -1.30 -0.02 0.00 -1.01 0.00 0.00 57.07 54.74 1xsk s TYR 100 Cb 0.00 -0.38 0.04 0.00 -0.11 0.00 0.00 41.96 41.51 1xsk s TYR 100 CO 0.00 -0.82 0.02 0.00 -1.11 0.00 0.00 175.55 173.63 1xsk s ALA 101 N -3.84 0.88 -0.04 3.71 0.00 -0.85 -1.00 121.76 120.62 1xsk s ALA 101 Ca 0.35 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.92 1xsk s ALA 101 Cb 0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1xsk s ALA 101 CO 0.16 -0.82 -0.19 -2.00 0.00 0.00 0.00 175.76 172.90 1xsk s GLU 102 N 1.90 1.91 -0.13 0.00 2.12 -0.54 -1.19 118.70 122.77 1xsk s GLU 102 Ca 0.02 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.69 1xsk s GLU 102 Cb -0.15 -1.68 0.01 0.00 0.26 0.00 0.00 34.13 32.57 1xsk s GLU 102 CO -0.07 0.30 -0.21 0.12 -0.54 0.00 0.00 175.26 174.86 1xsk s PHE 103 N -0.09 2.53 -0.03 5.30 5.36 -0.10 -1.46 117.98 129.49 1xsk s PHE 103 Ca -0.02 -1.23 0.03 0.00 -0.96 0.00 0.00 56.93 54.75 1xsk s PHE 103 Cb -0.11 -1.73 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 1xsk s PHE 103 CO 0.02 -0.56 -0.10 0.21 -1.46 0.00 0.00 175.22 173.33 1xsk s LYS 104 N 0.76 1.10 -0.09 10.12 2.20 0.03 0.16 119.74 134.03 1xsk s LYS 104 Ca -0.09 -0.34 -0.01 0.00 -0.36 0.00 0.00 55.97 55.17 1xsk s LYS 104 Cb -0.16 -1.01 0.03 0.00 -1.51 0.00 0.00 37.83 35.18 1xsk s LYS 104 CO -0.00 0.12 -0.05 0.45 -0.36 0.00 0.00 175.35 175.51 1xsk s SER 105 N 0.22 1.92 1.89 1.43 0.15 0.25 -0.94 113.70 118.61 1xsk s SER 105 Ca -0.04 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1xsk s SER 105 Cb -0.09 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1xsk s SER 105 CO 0.01 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1xsk n GLY 106 N 4.96 3.55 0.55 9.45 0.00 -1.26 -1.54 105.19 120.91 1xsk n GLY 106 Ca -0.11 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1xsk n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsk n ASN 107 N 6.45 2.07 -4.74 1.61 5.03 -1.26 -4.93 115.26 119.49 1xsk n ASN 107 Ca 0.00 -1.53 -0.35 0.00 0.87 0.00 0.00 54.58 53.57 1xsk n ASN 107 Cb 0.00 0.34 -0.08 0.00 -1.02 0.00 0.00 39.78 39.02 1xsk n ASN 107 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsk s LEU 108 N -2.38 4.18 0.08 3.41 2.96 -0.59 -1.16 118.68 125.18 1xsk s LEU 108 Ca 0.21 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 1xsk s LEU 108 Cb 0.19 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1xsk s LEU 108 CO 0.51 0.22 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.73 1xsk s SER 109 N 0.10 1.24 -0.12 3.68 1.04 -0.49 -0.59 113.70 118.56 1xsk s SER 109 Ca 0.09 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 1xsk s SER 109 Cb -0.11 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1xsk s SER 109 CO -0.01 -0.29 -0.10 0.00 0.98 0.00 0.00 173.24 173.82 1xsk s ALA 110 N -2.43 2.76 -0.07 5.32 0.00 0.12 -0.91 121.76 126.56 1xsk s ALA 110 Ca 0.03 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1xsk s ALA 110 Cb -0.03 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.82 1xsk s ALA 110 CO -0.01 0.30 -0.09 0.50 0.00 0.00 0.00 175.76 176.46 1xsk s ARG 111 N 0.15 1.41 -0.19 0.00 3.52 0.11 -0.92 118.95 123.03 1xsk s ARG 111 Ca -0.05 -0.28 -0.03 0.00 -0.13 0.00 0.00 55.73 55.23 1xsk s ARG 111 Cb -0.15 -1.30 -0.01 0.00 -1.56 0.00 0.00 34.95 31.93 1xsk s ARG 111 CO 0.04 -0.08 -0.05 0.08 -0.81 0.00 0.00 175.30 174.48 1xsk s VAL 112 N 1.01 3.47 -0.10 7.11 1.01 -0.34 -0.64 120.40 131.93 1xsk s VAL 112 Ca -0.09 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1xsk s VAL 112 Cb -0.15 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1xsk s VAL 112 CO -0.00 0.45 1.03 -0.44 0.00 0.00 0.00 175.10 176.13 1xsk s SER 113 N 1.06 7.23 0.92 3.32 0.01 -0.44 -2.01 113.70 123.79 1xsk s SER 113 Ca 0.01 1.56 -0.13 0.00 1.31 0.00 0.00 55.95 58.70 1xsk s SER 113 Cb -0.15 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.72 1xsk s SER 113 CO -0.00 -0.46 1.27 -0.54 0.41 0.00 0.00 173.24 173.92 1xsk s LYS 114 N 2.02 0.80 1.31 12.44 1.02 -0.83 -4.14 119.74 132.36 1xsk s LYS 114 Ca 0.49 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.92 1xsk s LYS 114 Cb -0.19 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1xsk s LYS 114 CO 0.18 -2.26 0.00 0.41 -0.92 0.00 0.00 175.35 172.77 1xsk n GLY 115 N -3.60 -1.86 0.37 -3.33 0.00 -1.26 -4.40 105.19 91.10 1xsk n GLY 115 Ca 0.15 -1.42 0.06 0.00 0.00 0.00 0.00 46.02 44.81 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 0.96 -4.11 1.61 4.81 -1.93 -3.38 114.58 112.54 1xsk h GLU 116 Ca 0.00 -0.06 -0.75 0.00 -0.13 0.00 0.00 59.36 58.43 1xsk h GLU 116 Cb 0.00 -0.22 -0.27 0.00 0.63 0.00 0.00 28.75 28.89 1xsk h GLU 116 CO 0.00 0.64 -0.26 -0.06 -0.73 0.00 0.00 179.01 178.60 1xsk s PHE 117 N -5.90 3.42 0.48 0.92 0.08 -1.26 -4.99 117.98 110.72 1xsk s PHE 117 Ca -0.11 -1.75 -0.22 0.00 0.12 0.00 0.00 56.93 54.97 1xsk s PHE 117 Cb 0.21 -3.63 -0.07 0.00 -0.57 0.00 0.00 43.02 38.95 1xsk s PHE 117 CO 0.80 -0.99 1.16 -0.46 -0.10 0.00 0.00 175.22 175.63 1xsk s TRP 118 N 1.17 2.84 -0.28 0.36 -0.11 -1.26 -4.69 118.94 116.96 1xsk s TRP 118 Ca 0.07 1.54 -0.24 0.00 1.22 0.00 0.00 56.10 58.70 1xsk s TRP 118 Cb -0.25 -3.36 0.11 0.00 -1.50 0.00 0.00 33.47 28.47 1xsk s TRP 118 CO -0.01 -1.52 0.95 0.45 -4.62 0.00 0.00 176.95 172.20 1xsk s SER 119 N -1.43 -0.53 -0.18 5.86 0.15 -1.26 -4.14 113.70 112.17 1xsk s SER 119 Ca 0.65 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.30 1xsk s SER 119 Cb -0.28 1.05 0.01 0.00 -1.71 0.00 0.00 66.02 65.09 1xsk s SER 119 CO 0.33 -0.17 -0.18 -0.22 1.20 0.00 0.00 173.24 174.21 1xsk s LEU 120 N 0.45 2.25 0.02 3.45 0.20 -0.93 -1.32 118.68 122.80 1xsk s LEU 120 Ca 0.01 -0.60 0.06 0.00 0.69 0.00 0.00 54.13 54.28 1xsk s LEU 120 Cb -0.05 -1.52 -0.02 0.00 -0.43 0.00 0.00 46.19 44.18 1xsk s LEU 120 CO -0.07 0.01 -0.18 -1.81 -0.29 0.00 0.00 176.35 174.02 1xsk s ASP 121 N 1.24 2.08 -0.25 3.68 1.01 0.19 -1.05 116.67 123.57 1xsk s ASP 121 Ca 0.03 -0.42 -0.04 0.00 0.71 0.00 0.00 52.55 52.84 1xsk s ASP 121 Cb -0.14 -0.19 0.01 0.00 1.01 0.00 0.00 42.92 43.62 1xsk s ASP 121 CO -0.10 0.15 -0.03 -0.36 0.21 0.00 0.00 175.17 175.04 1xsk s PHE 122 N -0.66 3.04 0.07 4.23 0.08 -0.43 0.08 117.98 124.39 1xsk s PHE 122 Ca 0.06 -1.20 0.06 0.00 0.12 0.00 0.00 56.93 55.97 1xsk s PHE 122 Cb -0.08 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 1xsk s PHE 122 CO 0.01 -0.63 -0.10 -0.51 -0.10 0.00 0.00 175.22 173.89 1xsk s LEU 123 N 1.42 3.04 -0.36 -0.37 2.01 -0.09 -1.82 118.68 122.52 1xsk s LEU 123 Ca 0.03 -0.31 -0.01 0.00 0.01 0.00 0.00 54.13 53.84 1xsk s LEU 123 Cb -0.16 -1.81 0.09 0.00 0.01 0.00 0.00 46.19 44.32 1xsk s LEU 123 CO -0.03 0.22 0.11 -0.60 1.01 0.00 0.00 176.35 177.06 1xsk s ARG 124 N -1.89 2.05 -1.23 1.70 3.52 0.25 -1.40 118.95 121.96 1xsk s ARG 124 Ca 0.20 -1.65 -0.05 0.00 -0.13 0.00 0.00 55.73 54.10 1xsk s ARG 124 Cb -0.11 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1xsk s ARG 124 CO 0.11 -0.90 0.76 0.09 -0.81 0.00 0.00 175.30 174.55 1xsk n ASN 125 N 4.54 -2.76 0.00 -2.12 3.02 -0.31 -1.85 115.26 115.78 1xsk n ASN 125 Ca -0.05 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1xsk n ASN 125 Cb 0.42 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 1xsk n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsk n GLY 126 N -1.52 2.00 3.70 7.41 0.00 -1.26 -4.99 105.19 110.52 1xsk n GLY 126 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.05 3.16 -0.44 1.61 2.02 -0.77 -5.01 118.70 119.23 1xsk s GLU 127 Ca 0.00 -0.36 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 1xsk s GLU 127 Cb 0.00 -2.89 0.02 0.00 0.10 0.00 0.00 34.13 31.36 1xsk s GLU 127 CO 0.00 0.66 1.24 0.50 0.02 0.00 0.00 175.26 177.68 1xsk s ARG 128 N -0.75 3.70 0.06 1.61 3.52 -1.26 0.87 118.95 126.70 1xsk s ARG 128 Ca 0.12 0.75 0.15 0.00 -0.13 0.00 0.00 55.73 56.61 1xsk s ARG 128 Cb -0.12 -3.94 -0.14 0.00 -1.56 0.00 0.00 34.95 29.19 1xsk s ARG 128 CO 0.02 -1.41 0.89 -0.84 -0.81 0.00 0.00 175.30 173.15 1xsk h ILE 129 N 6.28 0.73 -2.16 4.11 3.07 -1.72 -3.48 117.51 124.34 1xsk h ILE 129 Ca -0.25 -2.33 0.33 0.00 1.55 0.00 0.00 64.86 64.17 1xsk h ILE 129 Cb 1.08 2.25 -0.06 0.00 -0.27 0.00 0.00 36.82 39.81 1xsk h ILE 129 CO 1.11 0.42 0.88 1.07 -1.05 0.00 0.00 178.15 180.57 1xsk n THR 130 N -3.01 0.00 -1.69 0.16 5.66 -1.22 -4.86 114.28 109.31 1xsk n THR 130 Ca -0.09 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1xsk n THR 130 Cb 0.89 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 70.25 1xsk n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsk n GLY 131 N -0.90 -1.56 3.03 1.09 0.00 -1.26 -1.31 105.19 104.28 1xsk n GLY 131 Ca 0.04 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 3.41 0.76 1.61 0.15 -0.22 -0.63 113.70 116.78 1xsk s SER 132 Ca 0.00 -0.86 -0.11 0.00 0.70 0.00 0.00 55.95 55.67 1xsk s SER 132 Cb 0.00 -1.32 0.05 0.00 -1.71 0.00 0.00 66.02 63.03 1xsk s SER 132 CO 0.00 -0.11 1.10 -1.10 1.20 0.00 0.00 173.24 174.33 1xsk s GLN 133 N 1.34 2.41 0.20 5.44 -0.21 -1.26 -2.19 119.66 125.38 1xsk s GLN 133 Ca -0.00 0.57 -0.33 0.00 0.02 0.00 0.00 55.36 55.62 1xsk s GLN 133 Cb -0.16 -1.96 -0.13 0.00 1.00 0.00 0.00 33.01 31.76 1xsk s GLN 133 CO -0.09 -1.38 1.59 1.55 -2.12 0.00 0.00 175.29 174.84 1xsk n VAL 134 N -3.26 0.22 -1.05 1.09 3.14 -1.26 -1.84 118.33 115.37 1xsk n VAL 134 Ca 0.07 -0.06 -0.02 0.00 -2.96 0.00 0.00 64.34 61.38 1xsk n VAL 134 Cb 0.57 -1.68 -0.01 0.00 -1.06 0.00 0.00 33.84 31.66 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 3.25 -0.26 -0.23 1.45 5.02 -1.26 -4.90 118.16 121.23 1xsk n LYS 135 Ca 0.15 0.37 0.08 0.00 -2.02 0.00 0.00 58.31 56.89 1xsk n LYS 135 Cb 0.31 -3.82 0.21 0.00 -0.02 0.00 0.00 35.03 31.72 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 0.75 3.27 -4.06 4.39 3.02 -0.77 -4.94 115.26 116.91 1xsk n ASN 136 Ca -0.02 -1.96 -0.10 0.00 -0.03 0.00 0.00 54.58 52.47 1xsk n ASN 136 Cb 0.09 -0.31 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 1xsk n ASN 136 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsk s ASN 137 N -1.05 0.15 0.00 6.41 4.22 -1.26 -0.94 114.94 122.47 1xsk s ASN 137 Ca 0.33 -1.06 0.00 0.00 -2.14 0.00 0.00 52.86 49.99 1xsk s ASN 137 Cb 0.18 0.38 0.00 0.00 1.28 0.00 0.00 41.25 43.09 1xsk s ASN 137 CO 0.23 -0.83 0.00 0.61 -2.04 0.00 0.00 177.10 175.07 1xsk n GLY 138 N -0.18 0.56 3.48 0.45 0.00 -0.44 -4.34 105.19 104.72 1xsk n GLY 138 Ca -0.05 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1xsk n GLY 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xsk s TYR 139 N -3.21 2.93 -0.12 1.61 5.04 -0.44 -1.46 117.35 121.70 1xsk s TYR 139 Ca 0.00 -0.32 0.01 0.00 -2.44 0.00 0.00 57.07 54.32 1xsk s TYR 139 Cb 0.00 -1.86 -0.01 0.00 0.35 0.00 0.00 41.96 40.44 1xsk s TYR 139 CO 0.00 0.01 -0.15 0.08 -1.34 0.00 0.00 175.55 174.14 1xsk s VAL 140 N 0.05 2.85 -0.36 3.14 1.01 0.28 -2.02 120.40 125.35 1xsk s VAL 140 Ca -0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1xsk s VAL 140 Cb -0.14 -2.18 0.07 0.00 0.00 0.00 0.00 36.38 34.13 1xsk s VAL 140 CO 0.03 0.53 0.14 -1.10 0.00 0.00 0.00 175.10 174.70 1xsk s GLN 141 N 0.32 2.39 -0.52 2.72 -0.21 0.13 -0.42 119.66 124.07 1xsk s GLN 141 Ca -0.12 -1.44 -0.27 0.00 0.02 0.00 0.00 55.36 53.56 1xsk s GLN 141 Cb -0.16 -3.48 0.03 0.00 1.00 0.00 0.00 33.01 30.40 1xsk s GLN 141 CO 0.06 -0.82 1.06 0.34 -2.12 0.00 0.00 175.29 173.80 1xsk s ASP 142 N 1.62 6.48 0.42 5.90 -1.08 0.71 -1.62 116.67 129.10 1xsk s ASP 142 Ca 0.01 0.09 0.23 0.00 -0.52 0.00 0.00 52.55 52.36 1xsk s ASP 142 Cb -0.21 -2.50 0.79 0.00 -1.46 0.00 0.00 42.92 39.54 1xsk s ASP 142 CO -0.00 -1.26 1.77 0.74 0.52 0.00 0.00 175.17 176.94 1xsk h THR 143 N 6.13 0.59 -0.08 1.71 2.02 -1.00 -0.99 112.91 121.28 1xsk h THR 143 Ca -0.25 -1.26 -0.15 0.00 0.77 0.00 0.00 66.41 65.52 1xsk h THR 143 Cb 1.07 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1xsk h THR 143 CO 1.11 0.25 -0.62 0.78 0.37 0.00 0.00 175.52 177.42 1xsk h ASN 144 N 0.00 0.33 0.00 4.18 2.35 -1.90 -3.36 115.58 117.18 1xsk h ASN 144 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1xsk h ASN 144 Cb 0.83 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1xsk h ASN 144 CO 0.03 0.86 -0.04 -0.46 -1.65 0.00 0.00 177.43 176.18 1xsk n ASN 145 N -3.87 1.00 -1.14 5.81 0.23 -1.22 -5.00 115.26 111.07 1xsk n ASN 145 Ca -0.03 -1.64 -0.15 0.00 -0.53 0.00 0.00 54.58 52.23 1xsk n ASN 145 Cb 0.63 -0.05 -0.06 0.00 -2.08 0.00 0.00 39.78 38.22 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 -0.31 -1.40 -3.76 -3.83 3.00 -0.39 -4.98 117.38 105.70 1xsk n GLN 146 Ca 0.01 1.01 -0.32 0.00 -0.01 0.00 0.00 57.00 57.69 1xsk n GLN 146 Cb 0.42 -5.31 -0.05 0.00 0.00 0.00 0.00 30.24 25.30 1xsk n GLN 146 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1xsk s ARG 147 N -3.21 3.56 -0.01 -1.09 0.52 -1.16 -4.92 118.95 112.65 1xsk s ARG 147 Ca 0.00 -0.18 0.07 0.00 -0.52 0.00 0.00 55.73 55.10 1xsk s ARG 147 Cb 0.00 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1xsk s ARG 147 CO 0.00 0.55 -0.23 -0.80 0.02 0.00 0.00 175.30 174.83 1xsk s ASN 148 N -2.29 2.75 0.15 0.23 0.01 -1.26 -0.21 114.94 114.31 1xsk s ASN 148 Ca 0.36 -0.44 0.05 0.00 -0.71 0.00 0.00 52.86 52.12 1xsk s ASN 148 Cb -0.13 -0.30 -0.04 0.00 0.41 0.00 0.00 41.25 41.19 1xsk s ASN 148 CO 0.24 0.28 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.68 1xsk s TYR 149 N -0.58 1.33 0.06 2.20 2.02 0.44 -3.18 117.35 119.63 1xsk s TYR 149 Ca 0.09 -0.69 0.09 0.00 -0.37 0.00 0.00 57.07 56.19 1xsk s TYR 149 Cb -0.09 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.77 1xsk s TYR 149 CO -0.01 0.12 -0.23 -1.64 -1.57 0.00 0.00 175.55 172.23 1xsk s MET 150 N -3.47 1.84 0.18 -0.62 -1.94 -0.82 0.10 119.30 114.56 1xsk s MET 150 Ca 0.15 -1.11 -0.11 0.00 -1.71 0.00 0.00 55.69 52.91 1xsk s MET 150 Cb 0.00 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.79 1xsk s MET 150 CO 0.02 0.51 0.35 -0.59 -0.01 0.00 0.00 175.02 175.30 1xsk s PHE 151 N -0.91 0.28 -0.07 -0.03 -0.71 -0.53 -1.94 117.98 114.06 1xsk s PHE 151 Ca 0.13 -0.63 -0.20 0.00 -1.04 0.00 0.00 56.93 55.19 1xsk s PHE 151 Cb -0.10 0.06 0.04 0.00 -1.21 0.00 0.00 43.02 41.81 1xsk s PHE 151 CO 0.04 -0.78 0.46 -2.00 -1.34 0.00 0.00 175.22 171.60 1xsk s GLU 152 N -3.95 0.75 -0.26 1.99 2.56 -0.66 -1.33 118.70 117.81 1xsk s GLU 152 Ca 0.16 0.18 -0.00 0.00 0.00 0.00 0.00 54.97 55.30 1xsk s GLU 152 Cb 0.02 0.35 0.08 0.00 2.00 0.00 0.00 34.13 36.57 1xsk s GLU 152 CO -0.00 -0.19 0.03 1.03 -0.56 0.00 0.00 175.26 175.57 1xsk s ARG 153 N -0.84 1.05 -0.20 4.30 0.52 -0.12 -1.03 118.95 122.65 1xsk s ARG 153 Ca -0.09 -0.93 -0.18 0.00 -0.52 0.00 0.00 55.73 54.01 1xsk s ARG 153 Cb -0.03 -2.31 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1xsk s ARG 153 CO 0.05 -0.76 0.51 -0.51 0.02 0.00 0.00 175.30 174.60 1xsk s LEU 154 N 1.56 4.15 0.81 2.53 1.43 -0.86 -4.35 118.68 123.95 1xsk s LEU 154 Ca 0.02 0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 53.64 1xsk s LEU 154 Cb -0.18 -2.69 0.05 0.00 0.03 0.00 0.00 46.19 43.40 1xsk s LEU 154 CO -0.13 -0.17 0.93 0.47 0.23 0.00 0.00 176.35 177.68 1xsk n ASP 155 N 4.74 0.05 -4.05 2.29 8.00 0.20 -1.59 116.55 126.19 1xsk n ASP 155 Ca -0.05 0.55 -0.25 0.00 0.71 0.00 0.00 54.79 55.75 1xsk n ASP 155 Cb 0.50 -1.40 -0.16 0.00 -0.02 0.00 0.00 41.12 40.04 1xsk n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xsk s LEU 156 N -3.74 1.71 0.85 0.64 1.43 -0.45 -4.57 118.68 114.55 1xsk s LEU 156 Ca 0.69 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.38 1xsk s LEU 156 Cb -0.29 -0.86 0.16 0.00 0.03 0.00 0.00 46.19 45.23 1xsk s LEU 156 CO 0.55 0.06 1.18 -0.83 0.23 0.00 0.00 176.35 177.54 1xsk s GLY 157 N 0.54 1.76 0.27 -3.19 0.00 -1.26 -4.76 107.32 100.68 1xsk s GLY 157 Ca -0.13 -1.35 -0.30 0.00 0.00 0.00 0.00 44.72 42.94 1xsk s GLY 157 CO 0.04 -0.69 1.45 -0.62 0.00 0.00 0.00 173.10 173.28 1xsk n VAL 158 N -3.36 1.12 -0.98 1.40 0.31 -1.26 -1.33 118.33 114.23 1xsk n VAL 158 Ca 0.14 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1xsk n VAL 158 Cb 0.60 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1xsk n VAL 158 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsk n GLY 159 N 1.95 0.09 3.70 2.92 0.00 -1.26 -4.96 105.19 107.64 1xsk n GLY 159 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.61 4.50 0.05 1.61 2.12 -0.45 -4.99 118.70 119.92 1xsk s GLU 160 Ca 0.00 1.48 0.07 0.00 0.36 0.00 0.00 54.97 56.88 1xsk s GLU 160 Cb 0.00 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1xsk s GLU 160 CO 0.00 -0.16 -0.16 0.95 -0.54 0.00 0.00 175.26 175.35 1xsk s THR 161 N 1.31 2.94 -0.08 -1.70 -4.23 -1.26 -4.85 115.64 107.77 1xsk s THR 161 Ca 0.52 -1.18 -0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1xsk s THR 161 Cb -0.22 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1xsk s THR 161 CO 0.26 0.30 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.90 1xsk s VAL 162 N -0.98 3.90 0.17 2.29 1.01 -1.26 -2.36 120.40 123.17 1xsk s VAL 162 Ca 0.16 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1xsk s VAL 162 Cb -0.11 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1xsk s VAL 162 CO 0.07 0.60 0.03 -0.31 0.00 0.00 0.00 175.10 175.48 1xsk s TYR 163 N -0.80 1.16 0.00 5.22 2.02 -0.06 -0.50 117.35 124.39 1xsk s TYR 163 Ca 0.12 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.72 1xsk s TYR 163 Cb -0.11 -0.66 0.00 0.00 -0.40 0.00 0.00 41.96 40.79 1xsk s TYR 163 CO 0.02 -0.31 0.00 0.41 -1.57 0.00 0.00 175.55 174.09 1xsk n GLY 164 N -0.23 0.72 2.39 0.71 0.00 -1.26 -1.82 105.19 105.71 1xsk n GLY 164 Ca -0.05 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.40 0.00 0.99 4.77 0.58 -4.82 117.00 116.13 1xsk n LEU 165 Ca 0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1xsk n LEU 165 Cb 0.00 -1.63 0.00 0.00 -2.33 0.00 0.00 43.42 39.46 1xsk n LEU 165 CO 0.00 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1xsk n GLY 166 N -1.15 -2.18 3.55 -0.72 0.00 -1.24 -3.92 105.19 99.54 1xsk n GLY 166 Ca -0.02 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.36 3.18 0.16 1.61 2.12 -0.44 -4.15 118.70 120.81 1xsk s GLU 167 Ca 0.00 -0.39 0.09 0.00 0.36 0.00 0.00 54.97 55.03 1xsk s GLU 167 Cb 0.00 -4.62 -0.04 0.00 0.26 0.00 0.00 34.13 29.73 1xsk s GLU 167 CO 0.00 -2.34 -0.11 1.03 -0.54 0.00 0.00 175.26 173.30 1xsk s ARG 168 N 5.79 2.01 0.00 4.30 0.52 -1.26 -4.52 118.95 125.78 1xsk s ARG 168 Ca 0.45 -1.23 0.11 0.00 -0.52 0.00 0.00 55.73 54.55 1xsk s ARG 168 Cb -0.06 -2.16 0.24 0.00 0.52 0.00 0.00 34.95 33.48 1xsk s ARG 168 CO 0.07 0.45 1.12 1.19 0.02 0.00 0.00 175.30 178.15 1xsk n PHE 169 N 0.26 0.30 -2.05 -0.53 3.72 -1.26 -3.02 117.46 114.88 1xsk n PHE 169 Ca -0.12 -0.31 -0.28 0.00 -0.05 0.00 0.00 57.45 56.69 1xsk n PHE 169 Cb 0.55 -0.02 0.19 0.00 -0.94 0.00 0.00 39.48 39.26 1xsk n PHE 169 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1xsk n THR 170 N 0.61 0.00 -1.54 4.37 -2.24 -1.26 -4.87 114.28 109.34 1xsk n THR 170 Ca 0.10 -1.09 -0.49 0.00 -2.27 0.00 0.00 64.05 60.30 1xsk n THR 170 Cb 0.38 -1.39 -0.04 0.00 -2.10 0.00 0.00 70.33 67.18 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 -3.67 -1.36 -0.22 6.98 0.00 -1.26 -4.87 120.51 116.11 1xsk n ALA 171 Ca -0.21 0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.72 1xsk n ALA 171 Cb 0.58 -1.93 0.14 0.00 0.00 0.00 0.00 19.45 18.24 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 2.70 0.06 -8.87 0.00 5.85 -1.92 -3.37 115.31 109.76 1xsk h LEU 172 Ca -0.41 0.12 -0.60 0.00 0.84 0.00 0.00 57.88 57.84 1xsk h LEU 172 Cb 1.37 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.45 1xsk h LEU 172 CO 0.66 0.02 0.55 -0.69 -0.34 0.00 0.00 178.44 178.63 1xsk s VAL 173 N -6.08 4.65 0.22 1.05 1.01 -1.26 -4.62 120.40 115.37 1xsk s VAL 173 Ca -0.13 1.22 0.34 0.00 0.00 0.00 0.00 61.98 63.41 1xsk s VAL 173 Cb 0.19 -4.28 0.34 0.00 0.00 0.00 0.00 36.38 32.63 1xsk s VAL 173 CO 0.75 -0.44 2.02 0.03 0.00 0.00 0.00 175.10 177.47 1xsk h ARG 174 N 8.32 0.00 -6.25 2.72 -0.00 -0.97 -3.46 114.38 114.75 1xsk h ARG 174 Ca -0.23 0.00 -0.66 0.00 -0.50 0.00 0.00 59.98 58.59 1xsk h ARG 174 Cb 1.08 0.00 0.02 0.00 0.00 0.00 0.00 29.97 31.07 1xsk h ARG 174 CO 0.95 0.00 0.98 0.09 0.00 0.00 0.00 179.97 181.99 1xsk n ASN 175 N -2.70 2.98 0.00 7.04 4.13 -1.26 -1.91 115.26 123.54 1xsk n ASN 175 Ca -0.02 1.02 0.00 0.00 1.68 0.00 0.00 54.58 57.26 1xsk n ASN 175 Cb 0.08 -1.29 0.00 0.00 -1.54 0.00 0.00 39.78 37.03 1xsk n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xsk n GLY 176 N 4.16 0.54 3.29 7.41 0.00 0.39 -4.98 105.19 116.00 1xsk n GLY 176 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.98 1.14 -0.13 1.61 -2.07 -0.80 -4.65 119.66 113.78 1xsk s GLN 177 Ca 0.00 -1.23 -0.07 0.00 -1.82 0.00 0.00 55.36 52.24 1xsk s GLN 177 Cb 0.00 -1.27 -0.04 0.00 -1.09 0.00 0.00 33.01 30.61 1xsk s GLN 177 CO 0.00 0.28 0.14 -0.08 -1.32 0.00 0.00 175.29 174.31 1xsk s THR 178 N -1.56 5.49 -0.01 3.63 -1.32 -1.26 -2.28 115.64 118.34 1xsk s THR 178 Ca 0.09 0.21 0.01 0.00 -1.21 0.00 0.00 61.69 60.79 1xsk s THR 178 Cb -0.08 -3.41 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 1xsk s THR 178 CO 0.05 0.60 -0.04 0.68 -2.21 0.00 0.00 174.62 173.69 1xsk s VAL 179 N -0.86 0.36 -0.20 5.08 -7.23 -0.45 -4.99 120.40 112.10 1xsk s VAL 179 Ca 0.14 -0.17 -0.05 0.00 -1.81 0.00 0.00 61.98 60.10 1xsk s VAL 179 Cb -0.12 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.48 1xsk s VAL 179 CO 0.03 0.11 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.31 1xsk s GLU 180 N 0.05 3.54 -1.22 4.82 0.41 -1.26 -0.54 118.70 124.51 1xsk s GLU 180 Ca -0.00 -0.55 -0.17 0.00 -0.41 0.00 0.00 54.97 53.83 1xsk s GLU 180 Cb -0.04 -3.05 0.10 0.00 -1.78 0.00 0.00 34.13 29.36 1xsk s GLU 180 CO -0.00 -0.05 1.58 0.95 -0.49 0.00 0.00 175.26 177.25 1xsk s THR 181 N 1.13 4.40 -0.15 3.63 -4.23 -0.49 -4.85 115.64 115.08 1xsk s THR 181 Ca 0.02 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 1xsk s THR 181 Cb -0.14 -5.08 0.07 0.00 1.34 0.00 0.00 72.50 68.69 1xsk s THR 181 CO 0.01 -1.87 0.19 0.86 -0.54 0.00 0.00 174.62 173.27 1xsk s TRP 182 N 3.45 -0.20 0.22 3.99 -0.11 -1.26 -3.96 118.94 121.07 1xsk s TRP 182 Ca 0.49 0.36 -0.31 0.00 1.22 0.00 0.00 56.10 57.85 1xsk s TRP 182 Cb 0.01 -0.34 -0.11 0.00 -1.50 0.00 0.00 33.47 31.53 1xsk s TRP 182 CO 0.03 -0.46 1.65 -0.80 -4.62 0.00 0.00 176.95 172.76 1xsk s ASN 183 N 2.30 6.43 0.17 5.86 0.01 -1.26 -4.71 114.94 123.73 1xsk s ASN 183 Ca 0.05 2.83 -0.02 0.00 -0.71 0.00 0.00 52.86 55.00 1xsk s ASN 183 Cb -0.14 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.88 1xsk s ASN 183 CO -0.09 -0.92 0.13 -0.13 -1.51 0.00 0.00 177.10 174.58 1xsk s ARG 184 N 0.75 1.09 -0.79 -0.60 0.52 -0.81 -4.54 118.95 114.56 1xsk s ARG 184 Ca 0.71 -1.47 -0.01 0.00 -0.52 0.00 0.00 55.73 54.43 1xsk s ARG 184 Cb -0.48 0.28 0.20 0.00 0.52 0.00 0.00 34.95 35.47 1xsk s ARG 184 CO 0.36 -0.35 0.65 0.34 0.02 0.00 0.00 175.30 176.32 1xsk s ASP 185 N -3.08 5.62 -0.11 0.23 -1.08 -1.26 -3.36 116.67 113.63 1xsk s ASP 185 Ca 0.29 -3.51 0.15 0.00 -0.52 0.00 0.00 52.55 48.96 1xsk s ASP 185 Cb 0.06 -1.85 0.29 0.00 -1.46 0.00 0.00 42.92 39.96 1xsk s ASP 185 CO 0.06 -0.22 1.19 0.61 0.52 0.00 0.00 175.17 177.33 1xsk n GLY 186 N 2.59 4.31 6.73 2.66 0.00 -1.26 -5.10 105.19 115.11 1xsk n GLY 186 Ca 0.17 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.00 -0.82 0.00 -0.02 0.00 -1.26 -4.45 105.19 97.63 1xsk n GLY 187 Ca 0.14 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1xsk n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xsk n THR 188 N 0.00 0.43 -0.73 2.61 -2.24 -1.21 -4.78 114.28 108.36 1xsk n THR 188 Ca 0.00 -0.52 0.08 0.00 -2.27 0.00 0.00 64.05 61.35 1xsk n THR 188 Cb 0.00 0.90 0.33 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.22 4.62 -2.47 3.42 7.64 -1.26 -4.75 113.62 120.60 1xsk n SER 189 Ca 0.00 -2.64 -0.13 0.00 1.01 0.00 0.00 58.87 57.11 1xsk n SER 189 Cb 0.28 -0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 62.87 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 0.58 0.00 0.42 0.44 -2.24 -1.26 -5.02 114.28 107.20 1xsk n THR 190 Ca 0.24 -1.51 0.08 0.00 -2.27 0.00 0.00 64.05 60.58 1xsk n THR 190 Cb 0.92 0.73 0.34 0.00 -2.10 0.00 0.00 70.33 70.21 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 -0.42 0.05 -2.69 -0.78 0.00 -1.26 -4.47 120.64 111.08 1xsk n GLU 191 Ca 0.04 0.33 -0.31 0.00 0.00 0.00 0.00 57.16 57.21 1xsk n GLU 191 Cb 0.38 -1.61 -0.04 0.00 0.00 0.00 0.00 31.44 30.17 1xsk n GLU 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xsk s GLN 192 N -3.10 3.89 -0.01 3.44 -0.21 -1.26 -4.90 119.66 117.52 1xsk s GLN 192 Ca 0.05 0.72 -0.04 0.00 0.02 0.00 0.00 55.36 56.11 1xsk s GLN 192 Cb 0.08 -2.28 -0.00 0.00 1.00 0.00 0.00 33.01 31.82 1xsk s GLN 192 CO 0.27 -0.12 0.08 0.00 -2.12 0.00 0.00 175.29 173.41 1xsk s ALA 193 N -2.43 -0.19 -0.16 6.09 0.00 -1.26 -4.74 121.76 119.06 1xsk s ALA 193 Ca 0.55 -0.10 0.15 0.00 0.00 0.00 0.00 51.96 52.57 1xsk s ALA 193 Cb -0.10 0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.14 1xsk s ALA 193 CO 0.29 -0.14 1.46 1.88 0.00 0.00 0.00 175.76 179.25 1xsk h TYR 194 N 4.96 0.00 -3.44 0.00 0.05 -1.80 -2.16 116.97 114.58 1xsk h TYR 194 Ca -0.29 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 57.85 1xsk h TYR 194 Cb 1.20 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.54 1xsk h TYR 194 CO 0.55 0.48 -0.70 0.15 -1.05 0.00 0.00 178.16 177.58 1xsk s LYS 195 N -2.99 1.46 -0.00 4.88 1.02 -1.26 -3.48 119.74 119.37 1xsk s LYS 195 Ca 0.04 -1.96 -0.02 0.00 0.02 0.00 0.00 55.97 54.06 1xsk s LYS 195 Cb 0.08 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 1xsk s LYS 195 CO 0.74 -1.02 0.14 -0.80 -0.92 0.00 0.00 175.35 173.50 1xsk s ASN 196 N 0.64 6.10 -0.14 2.83 0.01 -1.24 -1.33 114.94 121.81 1xsk s ASN 196 Ca 0.13 0.26 -0.05 0.00 -0.71 0.00 0.00 52.86 52.49 1xsk s ASN 196 Cb -0.21 -1.85 0.07 0.00 0.41 0.00 0.00 41.25 39.66 1xsk s ASN 196 CO -0.08 0.26 0.28 -0.63 -1.51 0.00 0.00 177.10 175.43 1xsk s ILE 197 N -1.28 -0.40 0.00 0.60 -1.09 -1.25 -4.36 121.20 113.41 1xsk s ILE 197 Ca 0.26 0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.90 1xsk s ILE 197 Cb -0.12 -0.47 -0.11 0.00 -1.58 0.00 0.00 42.46 40.18 1xsk s ILE 197 CO 0.17 0.10 2.45 -0.81 -1.23 0.00 0.00 174.94 175.63 1xsk n PRO 198 N 5.22 1.29 -4.54 2.79 -0.04 -1.26 -3.61 135.00 134.85 1xsk n PRO 198 Ca -0.09 -0.42 -0.26 0.00 -0.04 0.00 0.00 63.50 62.70 1xsk n PRO 198 Cb 0.50 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.75 1.59 0.12 0.54 5.36 -1.26 -1.01 117.98 124.07 1xsk s PHE 199 Ca 0.28 -0.63 0.03 0.00 -0.96 0.00 0.00 56.93 55.65 1xsk s PHE 199 Cb 0.13 -1.17 -0.04 0.00 -0.34 0.00 0.00 43.02 41.60 1xsk s PHE 199 CO 0.00 -0.33 -0.08 1.52 -1.46 0.00 0.00 175.22 174.87 1xsk s TYR 200 N 0.78 1.04 0.09 10.12 -0.85 -0.93 -0.30 117.35 127.30 1xsk s TYR 200 Ca -0.12 -0.85 -0.05 0.00 -0.52 0.00 0.00 57.07 55.53 1xsk s TYR 200 Cb -0.16 -0.57 -0.02 0.00 0.38 0.00 0.00 41.96 41.59 1xsk s TYR 200 CO 0.02 -0.06 0.10 0.00 -1.52 0.00 0.00 175.55 174.09 1xsk s MET 201 N -3.80 0.82 0.36 -3.49 0.23 -0.75 -0.61 119.30 112.05 1xsk s MET 201 Ca 0.14 -1.17 0.05 0.00 -1.03 0.00 0.00 55.69 53.68 1xsk s MET 201 Cb 0.04 0.28 -0.07 0.00 -1.53 0.00 0.00 34.83 33.55 1xsk s MET 201 CO -0.03 -0.23 0.04 0.95 -2.03 0.00 0.00 175.02 173.72 1xsk s THR 202 N -3.93 1.53 -0.80 3.16 -4.23 -0.77 -0.88 115.64 109.72 1xsk s THR 202 Ca 0.11 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1xsk s THR 202 Cb 0.06 -2.88 0.01 0.00 1.34 0.00 0.00 72.50 71.03 1xsk s THR 202 CO -0.07 0.00 0.61 -0.46 -0.54 0.00 0.00 174.62 174.16 1xsk n ASN 203 N -0.81 1.42 -0.59 3.99 6.94 -1.00 -2.59 115.26 122.62 1xsk n ASN 203 Ca -0.03 -2.01 0.06 0.00 -0.02 0.00 0.00 54.58 52.57 1xsk n ASN 203 Cb 0.67 -0.50 0.15 0.00 -2.36 0.00 0.00 39.78 37.74 1xsk n ASN 203 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1xsk n ARG 204 N 0.10 2.86 -1.94 -3.83 0.63 -1.26 -4.95 116.66 108.27 1xsk n ARG 204 Ca 0.00 -2.14 -0.06 0.00 -0.92 0.00 0.00 57.85 54.74 1xsk n ARG 204 Cb 0.31 -1.34 -0.01 0.00 0.45 0.00 0.00 32.46 31.87 1xsk n ARG 204 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xsk n GLY 205 N 0.17 0.25 3.19 5.14 0.00 -1.07 -4.94 105.19 107.93 1xsk n GLY 205 Ca 0.12 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.28 0.36 0.17 1.61 -0.85 -1.26 -0.08 117.35 115.02 1xsk s TYR 206 Ca 0.00 -0.81 -0.01 0.00 -0.52 0.00 0.00 57.07 55.73 1xsk s TYR 206 Cb 0.00 -0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1xsk s TYR 206 CO 0.00 -0.53 0.08 0.20 -1.52 0.00 0.00 175.55 173.78 1xsk s GLY 207 N -2.91 1.21 -0.07 5.49 0.00 0.71 -1.85 107.32 109.90 1xsk s GLY 207 Ca 0.10 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 43.19 1xsk s GLY 207 CO -0.08 -1.41 0.17 -1.34 0.00 0.00 0.00 173.10 170.44 1xsk s VAL 208 N -4.02 -0.03 -0.23 1.40 -7.23 0.22 0.72 120.40 111.22 1xsk s VAL 208 Ca 0.30 0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.53 1xsk s VAL 208 Cb 0.07 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.72 1xsk s VAL 208 CO 0.06 0.05 0.06 -0.22 -0.31 0.00 0.00 175.10 174.74 1xsk s LEU 209 N 0.91 3.46 -0.38 1.32 2.96 -0.01 -2.20 118.68 124.74 1xsk s LEU 209 Ca -0.07 -0.17 -0.21 0.00 -0.22 0.00 0.00 54.13 53.47 1xsk s LEU 209 Cb -0.09 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1xsk s LEU 209 CO -0.05 0.01 0.64 -0.69 -1.32 0.00 0.00 176.35 174.94 1xsk s VAL 210 N 1.35 4.86 -0.79 1.68 1.01 -0.18 0.30 120.40 128.65 1xsk s VAL 210 Ca 0.05 0.45 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1xsk s VAL 210 Cb -0.15 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1xsk s VAL 210 CO 0.03 -0.41 2.60 -3.20 0.00 0.00 0.00 175.10 174.12 1xsk n ASN 211 N 6.13 5.62 -3.70 3.32 5.15 0.70 -4.76 115.26 127.73 1xsk n ASN 211 Ca -0.01 -2.36 -0.23 0.00 -0.60 0.00 0.00 54.58 51.38 1xsk n ASN 211 Cb 0.48 -1.21 -0.17 0.00 -0.53 0.00 0.00 39.78 38.35 1xsk n ASN 211 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1xsk s HIS 212 N 2.40 0.40 0.08 1.20 3.76 -1.26 -4.81 115.29 117.06 1xsk s HIS 212 Ca 0.51 -0.13 0.32 0.00 -0.15 0.00 0.00 55.06 55.61 1xsk s HIS 212 Cb 0.17 -0.70 1.25 0.00 1.11 0.00 0.00 32.58 34.42 1xsk s HIS 212 CO -0.03 -0.35 1.94 -1.35 -0.85 0.00 0.00 174.74 174.10 1xsk h PRO 213 N 8.37 0.00 -7.56 8.40 0.11 -1.88 -3.44 132.00 136.00 1xsk h PRO 213 Ca -0.16 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.53 1xsk h PRO 213 Cb 1.13 0.00 0.18 0.00 0.11 0.00 0.00 31.00 32.42 1xsk h PRO 213 CO 0.24 0.03 0.24 -0.65 -0.21 0.00 0.00 178.00 177.65 1xsk s GLN 214 N -3.65 -0.56 0.31 1.05 1.11 -1.26 -4.45 119.66 112.21 1xsk s GLN 214 Ca 0.01 -0.21 -0.29 0.00 0.01 0.00 0.00 55.36 54.87 1xsk s GLN 214 Cb 0.09 -1.69 -0.11 0.00 -1.01 0.00 0.00 33.01 30.29 1xsk s GLN 214 CO 0.56 -3.25 1.52 0.00 0.01 0.00 0.00 175.29 174.14 1xsk s VAL 216 N -0.34 2.00 -0.34 0.00 1.01 -1.25 -4.64 120.40 116.83 1xsk s VAL 216 Ca 0.59 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1xsk s VAL 216 Cb -0.46 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1xsk s VAL 216 CO 0.51 0.55 0.23 -0.55 0.00 0.00 0.00 175.10 175.84 1xsk s SER 217 N 0.24 5.97 -0.19 3.32 0.15 -0.59 -1.40 113.70 121.20 1xsk s SER 217 Ca -0.15 -0.49 -0.08 0.00 0.70 0.00 0.00 55.95 55.92 1xsk s SER 217 Cb -0.17 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 1xsk s SER 217 CO 0.07 -0.25 0.08 -0.36 1.20 0.00 0.00 173.24 173.99 1xsk s PHE 218 N 1.70 3.28 -0.60 3.44 0.40 0.30 -1.75 117.98 124.75 1xsk s PHE 218 Ca 0.06 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 1xsk s PHE 218 Cb -0.18 -2.12 0.15 0.00 0.51 0.00 0.00 43.02 41.39 1xsk s PHE 218 CO 0.10 0.16 0.39 -1.21 0.70 0.00 0.00 175.22 175.36 1xsk s GLU 219 N 0.46 2.39 -0.99 0.44 0.41 0.28 -1.34 118.70 120.35 1xsk s GLU 219 Ca 0.05 -2.64 -0.22 0.00 -0.41 0.00 0.00 54.97 51.75 1xsk s GLU 219 Cb -0.12 -3.58 0.08 0.00 -1.78 0.00 0.00 34.13 28.72 1xsk s GLU 219 CO 0.00 -1.16 1.34 0.08 -0.49 0.00 0.00 175.26 175.03 1xsk s VAL 220 N -0.28 4.19 -1.73 2.63 1.01 -0.97 -0.72 120.40 124.54 1xsk s VAL 220 Ca 0.18 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1xsk s VAL 220 Cb -0.21 -4.97 0.00 0.00 0.00 0.00 0.00 36.38 31.20 1xsk s VAL 220 CO -0.03 -1.80 0.00 0.61 0.00 0.00 0.00 175.10 173.89 1xsk n GLY 221 N 6.42 1.62 0.06 4.51 0.00 -0.41 0.15 105.19 117.54 1xsk n GLY 221 Ca 0.30 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.82 0.01 -0.02 1.61 3.41 -1.25 -3.92 113.62 112.64 1xsk n SER 222 Ca -0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.43 1xsk n SER 222 Cb 0.56 1.46 -0.01 0.00 -0.26 0.00 0.00 64.21 65.97 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 -2.52 0.12 -3.34 4.33 2.13 -1.26 -4.85 120.64 115.25 1xsk n GLU 223 Ca -0.20 0.05 -0.44 0.00 0.66 0.00 0.00 57.16 57.23 1xsk n GLU 223 Cb 0.89 -0.61 -0.07 0.00 0.27 0.00 0.00 31.44 31.91 1xsk n GLU 223 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xsk s LYS 224 N -1.54 3.01 0.56 5.31 -0.14 -1.26 -4.96 119.74 120.72 1xsk s LYS 224 Ca -0.07 -1.24 0.32 0.00 -1.36 0.00 0.00 55.97 53.63 1xsk s LYS 224 Cb 0.01 -4.12 1.47 0.00 -1.68 0.00 0.00 37.83 33.51 1xsk s LYS 224 CO 0.10 -1.05 1.83 -0.39 -0.76 0.00 0.00 175.35 175.07 1xsk h VAL 225 N 5.77 0.41 -0.73 3.17 -1.51 -1.89 -1.90 116.25 119.58 1xsk h VAL 225 Ca -0.28 0.00 -0.37 0.00 -1.23 0.00 0.00 66.70 64.82 1xsk h VAL 225 Cb 1.11 0.49 -0.22 0.00 -2.13 0.00 0.00 31.29 30.54 1xsk h VAL 225 CO 0.89 0.00 0.34 -1.54 -1.23 0.00 0.00 177.57 176.03 1xsk n SER 226 N -4.01 3.31 -3.66 4.19 3.41 -1.26 -4.46 113.62 111.14 1xsk n SER 226 Ca 0.18 -3.65 -0.11 0.00 -0.26 0.00 0.00 58.87 55.03 1xsk n SER 226 Cb 1.01 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 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 -3.26 0.98 -0.34 4.33 1.02 -0.71 -1.34 119.74 120.42 1xsk s LYS 227 Ca 0.52 -0.57 -0.09 0.00 0.02 0.00 0.00 55.97 55.85 1xsk s LYS 227 Cb 0.45 0.43 0.02 0.00 -0.52 0.00 0.00 37.83 38.21 1xsk s LYS 227 CO 0.07 -0.36 0.16 0.08 -0.92 0.00 0.00 175.35 174.38 1xsk s VAL 228 N -3.20 4.39 -0.18 3.17 1.01 -0.62 -1.29 120.40 123.67 1xsk s VAL 228 Ca -0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 1xsk s VAL 228 Cb 0.01 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1xsk s VAL 228 CO -0.08 -0.10 0.12 -1.58 0.00 0.00 0.00 175.10 173.46 1xsk s GLN 229 N 1.54 4.04 -0.02 2.72 0.74 0.11 -2.03 119.66 126.75 1xsk s GLN 229 Ca 0.02 -0.22 0.03 0.00 0.05 0.00 0.00 55.36 55.24 1xsk s GLN 229 Cb -0.18 -3.36 -0.00 0.00 1.10 0.00 0.00 33.01 30.57 1xsk s GLN 229 CO 0.05 0.38 -0.09 -0.59 -0.55 0.00 0.00 175.29 174.49 1xsk s PHE 230 N 0.13 0.91 0.03 1.67 -0.12 -0.19 0.10 117.98 120.51 1xsk s PHE 230 Ca 0.09 -0.21 0.02 0.00 -0.05 0.00 0.00 56.93 56.78 1xsk s PHE 230 Cb -0.11 -0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 41.63 1xsk s PHE 230 CO -0.01 -0.07 -0.07 -1.54 -0.05 0.00 0.00 175.22 173.49 1xsk s SER 231 N 0.04 0.71 0.01 1.98 1.04 -0.72 -1.65 113.70 115.11 1xsk s SER 231 Ca -0.01 -0.48 -0.00 0.00 0.48 0.00 0.00 55.95 55.94 1xsk s SER 231 Cb -0.07 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 1xsk s SER 231 CO 0.00 -0.18 -0.01 0.54 0.98 0.00 0.00 173.24 174.57 1xsk s VAL 232 N -1.21 0.07 -0.72 5.02 0.11 -0.82 -1.54 120.40 121.32 1xsk s VAL 232 Ca -0.09 -0.62 -0.27 0.00 -2.93 0.00 0.00 61.98 58.07 1xsk s VAL 232 Cb -0.09 -0.19 0.03 0.00 -1.53 0.00 0.00 36.38 34.59 1xsk s VAL 232 CO 0.00 -0.34 1.33 -0.70 -3.33 0.00 0.00 175.10 172.06 1xsk s GLU 233 N -1.00 3.16 0.06 1.54 2.12 -1.26 -1.95 118.70 121.37 1xsk s GLU 233 Ca -0.11 -0.13 -0.27 0.00 0.36 0.00 0.00 54.97 54.82 1xsk s GLU 233 Cb -0.07 -4.19 0.09 0.00 0.26 0.00 0.00 34.13 30.22 1xsk s GLU 233 CO -0.01 -2.17 0.97 0.45 -0.54 0.00 0.00 175.26 173.96 1xsk s SER 234 N 4.07 -0.24 0.00 -1.70 0.15 -1.19 -4.99 113.70 109.80 1xsk s SER 234 Ca 0.38 -0.20 0.22 0.00 0.70 0.00 0.00 55.95 57.05 1xsk s SER 234 Cb -0.08 0.41 0.63 0.00 -1.71 0.00 0.00 66.02 65.26 1xsk s SER 234 CO 0.16 -0.71 1.49 -0.62 1.20 0.00 0.00 173.24 174.76 1xsk n GLU 235 N -0.36 1.99 -3.67 5.44 -0.58 -1.26 -3.73 120.64 118.47 1xsk n GLU 235 Ca -0.07 -1.49 -0.15 0.00 -0.42 0.00 0.00 57.16 55.03 1xsk n GLU 235 Cb 0.61 -1.44 -0.08 0.00 -0.57 0.00 0.00 31.44 29.97 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 -1.73 -0.41 -0.15 -0.32 -0.85 -1.26 -0.39 117.35 112.24 1xsk s TYR 236 Ca 0.34 0.74 0.01 0.00 -0.52 0.00 0.00 57.07 57.64 1xsk s TYR 236 Cb 0.19 0.22 0.02 0.00 0.38 0.00 0.00 41.96 42.77 1xsk s TYR 236 CO 0.28 -0.45 -0.18 -1.17 -1.52 0.00 0.00 175.55 172.52 1xsk s LEU 237 N -1.03 1.91 -0.13 -3.49 2.96 0.76 -4.89 118.68 114.77 1xsk s LEU 237 Ca -0.11 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.26 1xsk s LEU 237 Cb -0.03 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.36 1xsk s LEU 237 CO 0.06 -0.01 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.23 1xsk s GLU 238 N 1.24 2.31 0.07 1.98 2.12 -1.26 -0.13 118.70 125.03 1xsk s GLU 238 Ca 0.02 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 54.77 1xsk s GLU 238 Cb -0.14 -2.02 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 1xsk s GLU 238 CO -0.09 -0.13 -0.06 1.52 -0.54 0.00 0.00 175.26 175.96 1xsk s TYR 239 N 1.18 0.68 -0.15 5.30 1.13 -0.38 -0.21 117.35 124.90 1xsk s TYR 239 Ca -0.02 -0.82 0.02 0.00 -1.41 0.00 0.00 57.07 54.84 1xsk s TYR 239 Cb -0.14 -0.42 0.01 0.00 -1.10 0.00 0.00 41.96 40.31 1xsk s TYR 239 CO -0.05 -0.20 -0.20 -0.06 -2.51 0.00 0.00 175.55 172.52 1xsk s PHE 240 N -2.98 2.71 -0.25 -3.49 0.08 0.15 -0.13 117.98 114.07 1xsk s PHE 240 Ca 0.03 -1.38 -0.17 0.00 0.12 0.00 0.00 56.93 55.53 1xsk s PHE 240 Cb 0.01 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1xsk s PHE 240 CO -0.05 -0.64 0.47 0.08 -0.10 0.00 0.00 175.22 174.98 1xsk s VAL 241 N 0.94 5.11 -0.27 -0.44 1.01 -0.51 -0.83 120.40 125.41 1xsk s VAL 241 Ca -0.04 0.79 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 1xsk s VAL 241 Cb -0.15 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1xsk s VAL 241 CO -0.04 0.13 0.02 -0.63 0.00 0.00 0.00 175.10 174.58 1xsk s ILE 242 N 2.10 3.59 0.46 2.22 1.01 0.22 -1.64 121.20 129.17 1xsk s ILE 242 Ca 0.20 -0.73 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 1xsk s ILE 242 Cb -0.16 -2.81 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 1xsk s ILE 242 CO 0.09 0.18 1.06 -0.62 0.00 0.00 0.00 174.94 175.65 1xsk s ASP 243 N 1.45 6.39 0.00 3.58 2.15 -0.57 -0.21 116.67 129.46 1xsk s ASP 243 Ca 0.03 2.01 0.00 0.00 0.43 0.00 0.00 52.55 55.02 1xsk s ASP 243 Cb -0.16 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1xsk s ASP 243 CO -0.00 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 174.86 1xsk n GLY 244 N 0.01 0.23 0.00 2.66 0.00 0.88 -4.22 105.19 104.75 1xsk n GLY 244 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1xsk n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xsk n PRO 245 N 0.00 0.90 -4.35 1.61 -0.04 -1.26 -4.60 135.00 127.26 1xsk n PRO 245 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 1xsk n PRO 245 Cb 0.00 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.00 2.93 0.29 0.52 -4.23 -1.26 -3.87 115.64 108.02 1xsk s THR 246 Ca 0.36 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.99 1xsk s THR 246 Cb 0.16 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.80 1xsk s THR 246 CO 0.27 -0.20 1.73 -0.65 -0.54 0.00 0.00 174.62 175.23 1xsk h PRO 247 N 2.70 0.51 -0.14 3.99 0.11 -1.87 0.88 132.00 138.18 1xsk h PRO 247 Ca -0.45 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1xsk h PRO 247 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1xsk h PRO 247 CO 0.55 0.33 -0.33 0.87 -0.21 0.00 0.00 178.00 179.21 1xsk h LYS 248 N 0.52 0.27 -0.19 1.05 1.57 -1.96 -2.02 116.57 115.81 1xsk h LYS 248 Ca 0.54 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 59.04 1xsk h LYS 248 Cb 0.95 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1xsk h LYS 248 CO -0.46 0.58 -0.59 0.00 -0.57 0.00 0.00 179.45 178.41 1xsk h ALA 249 N 1.42 0.61 0.32 3.86 0.00 -1.20 -1.87 119.26 122.40 1xsk h ALA 249 Ca 0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1xsk h ALA 249 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xsk h ALA 249 CO 0.05 0.69 -0.15 0.28 0.00 0.00 0.00 179.25 180.12 1xsk h VAL 250 N 0.47 0.70 -0.03 0.00 2.07 -0.92 -2.01 116.25 116.54 1xsk h VAL 250 Ca 0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1xsk h VAL 250 Cb 1.15 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1xsk h VAL 250 CO 0.11 0.02 0.03 -0.07 0.02 0.00 0.00 177.57 177.69 1xsk h LEU 251 N -0.49 0.00 -0.10 2.57 3.38 -1.36 0.16 115.31 119.47 1xsk h LEU 251 Ca -0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1xsk h LEU 251 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1xsk h LEU 251 CO 0.07 0.00 -0.50 -0.78 0.09 0.00 0.00 178.44 177.33 1xsk h ASP 252 N 0.00 0.61 -0.13 -0.43 1.82 -0.82 -1.62 116.42 115.84 1xsk h ASP 252 Ca 0.01 -0.64 -0.16 0.00 -0.39 0.00 0.00 57.03 55.84 1xsk h ASP 252 Cb 0.08 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 39.91 1xsk h ASP 252 CO -0.00 1.15 -0.50 0.03 -1.61 0.00 0.00 179.24 178.31 1xsk h ARG 253 N 0.10 0.70 -0.07 0.28 3.08 -0.51 -2.30 114.38 115.67 1xsk h ARG 253 Ca -0.03 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 1xsk h ARG 253 Cb 1.14 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1xsk h ARG 253 CO 0.10 1.04 -0.00 -0.92 -1.07 0.00 0.00 179.97 179.11 1xsk h TYR 254 N 0.55 0.13 0.00 3.04 3.20 -0.76 -0.71 116.97 122.43 1xsk h TYR 254 Ca 0.02 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1xsk h TYR 254 Cb 1.06 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1xsk h TYR 254 CO 0.05 0.41 -0.25 1.79 -1.64 0.00 0.00 178.16 178.53 1xsk h THR 255 N -0.18 0.83 -0.13 1.81 1.35 -1.36 0.26 112.91 115.49 1xsk h THR 255 Ca 0.02 -0.98 -0.17 0.00 -0.55 0.00 0.00 66.41 64.73 1xsk h THR 255 Cb 0.36 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1xsk h THR 255 CO 0.00 0.24 -0.63 -0.09 -0.25 0.00 0.00 175.52 174.80 1xsk h ARG 256 N 0.00 0.46 0.01 4.72 2.43 -1.21 0.24 114.38 121.04 1xsk h ARG 256 Ca -0.00 -0.32 -0.11 0.00 -0.81 0.00 0.00 59.98 58.73 1xsk h ARG 256 Cb 0.57 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1xsk h ARG 256 CO 0.03 0.94 -0.44 0.35 -1.51 0.00 0.00 179.97 179.34 1xsk h PHE 257 N 0.34 0.43 -0.00 2.20 3.57 -0.31 -3.39 116.94 119.77 1xsk h PHE 257 Ca -0.01 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1xsk h PHE 257 Cb 1.18 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1xsk h PHE 257 CO 0.04 1.06 -0.54 0.25 -2.23 0.00 0.00 178.31 176.89 1xsk n THR 258 N -4.35 0.00 0.00 4.41 -2.24 0.85 -0.64 114.28 112.31 1xsk n THR 258 Ca -0.10 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1xsk n THR 258 Cb 0.60 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 1.26 4.18 3.70 3.38 0.00 0.83 -4.16 105.19 114.38 1xsk n GLY 259 Ca 0.04 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 4.39 0.40 1.61 1.81 -1.02 -4.55 118.95 117.12 1xsk s ARG 260 Ca 0.00 0.91 -0.26 0.00 -1.72 0.00 0.00 55.73 54.65 1xsk s ARG 260 Cb 0.00 -3.49 -0.10 0.00 -0.45 0.00 0.00 34.95 30.91 1xsk s ARG 260 CO 0.00 -0.06 1.31 -2.30 -0.68 0.00 0.00 175.30 173.57 1xsk n PRO 261 N 4.25 2.07 -2.23 3.54 -0.02 -1.26 -4.36 135.00 136.98 1xsk n PRO 261 Ca 0.00 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 1xsk n PRO 261 Cb 0.51 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1xsk n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsk s ALA 262 N -1.17 3.23 -0.45 3.55 0.00 -1.25 -4.09 121.76 121.58 1xsk s ALA 262 Ca 0.59 -0.34 -0.24 0.00 0.00 0.00 0.00 51.96 51.97 1xsk s ALA 262 Cb -0.51 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1xsk s ALA 262 CO 0.59 -0.60 0.86 -1.17 0.00 0.00 0.00 175.76 175.45 1xsk s LEU 263 N -5.00 4.11 0.64 0.00 2.96 -1.26 -4.79 118.68 115.35 1xsk s LEU 263 Ca 0.52 0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 54.32 1xsk s LEU 263 Cb -0.11 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 43.47 1xsk s LEU 263 CO 0.49 -0.97 1.23 -2.84 -1.32 0.00 0.00 176.35 172.94 1xsk s PRO 264 N 3.53 2.63 0.58 0.98 0.02 -1.26 -4.94 135.00 136.54 1xsk s PRO 264 Ca 0.34 1.87 -0.19 0.00 0.02 0.00 0.00 61.00 63.05 1xsk s PRO 264 Cb -0.11 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1xsk s PRO 264 CO 0.24 -1.48 1.17 -1.25 -0.33 0.00 0.00 177.00 175.35 1xsk s PRO 265 N -3.50 3.10 0.29 5.54 0.04 -1.25 -4.91 135.00 134.31 1xsk s PRO 265 Ca 0.78 1.73 0.02 0.00 0.04 0.00 0.00 61.00 63.57 1xsk s PRO 265 Cb -0.32 -1.96 0.57 0.00 0.04 0.00 0.00 34.50 32.84 1xsk s PRO 265 CO 0.38 -1.08 1.85 0.00 0.04 0.00 0.00 177.00 178.19 1xsk h ALA 266 N 0.96 1.55 0.00 8.56 0.00 -1.91 -1.89 119.26 126.53 1xsk h ALA 266 Ca -0.50 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1xsk h ALA 266 Cb 1.28 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xsk h ALA 266 CO 0.56 0.22 -0.03 0.11 0.00 0.00 0.00 179.25 180.11 1xsk h TRP 267 N 0.98 0.00 0.00 0.00 5.08 -1.91 -1.69 115.95 118.41 1xsk h TRP 267 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 1xsk h TRP 267 Cb 0.48 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 1xsk h TRP 267 CO -0.00 0.03 0.00 -1.13 -1.28 0.00 0.00 178.44 176.05 1xsk n SER 268 N -3.51 0.27 0.00 0.11 3.41 -0.71 -2.35 113.62 110.84 1xsk n SER 268 Ca -0.03 0.56 0.14 0.00 -0.26 0.00 0.00 58.87 59.28 1xsk n SER 268 Cb 0.13 -0.62 0.53 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.79 0.03 -0.33 7.33 3.72 -0.64 -4.75 117.46 121.04 1xsk n PHE 269 Ca 0.03 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1xsk n PHE 269 Cb 0.20 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 1xsk n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xsk n GLY 270 N 1.49 -2.13 3.70 1.37 0.00 -0.99 -4.71 105.19 103.91 1xsk n GLY 270 Ca 0.07 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 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 4.23 -0.12 0.99 2.96 -1.26 -4.33 118.68 121.15 1xsk s LEU 271 Ca 0.00 0.89 -0.07 0.00 -0.22 0.00 0.00 54.13 54.73 1xsk s LEU 271 Cb 0.00 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 1xsk s LEU 271 CO 0.00 -0.13 0.13 0.26 -1.32 0.00 0.00 176.35 175.29 1xsk s TRP 272 N 1.16 3.55 0.03 5.38 0.52 -0.63 -1.71 118.94 127.24 1xsk s TRP 272 Ca 0.29 0.49 0.07 0.00 0.02 0.00 0.00 56.10 56.97 1xsk s TRP 272 Cb -0.16 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.20 1xsk s TRP 272 CO 0.12 0.70 -0.20 -1.17 0.02 0.00 0.00 176.95 176.42 1xsk s LEU 273 N -0.96 2.14 0.16 2.99 1.98 -0.08 -0.39 118.68 124.51 1xsk s LEU 273 Ca 0.15 -0.47 0.10 0.00 -2.89 0.00 0.00 54.13 51.01 1xsk s LEU 273 Cb -0.12 -0.95 -0.04 0.00 0.66 0.00 0.00 46.19 45.74 1xsk s LEU 273 CO 0.04 0.17 -0.17 -0.89 -1.89 0.00 0.00 176.35 173.61 1xsk s THR 274 N -0.72 2.82 -0.34 3.68 2.01 -0.30 -0.77 115.64 122.01 1xsk s THR 274 Ca 0.07 -1.73 0.27 0.00 0.31 0.00 0.00 61.69 60.61 1xsk s THR 274 Cb -0.08 -2.35 0.29 0.00 0.01 0.00 0.00 72.50 70.37 1xsk s THR 274 CO 0.01 -0.05 1.79 0.71 -0.69 0.00 0.00 174.62 176.39 1xsk h THR 275 N 3.14 0.00 0.00 -0.82 1.35 -1.80 -3.43 112.91 111.35 1xsk h THR 275 Ca -0.48 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1xsk h THR 275 Cb 1.19 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1xsk h THR 275 CO 0.50 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.57 1xsk n SER 276 N -2.50 0.00 0.00 5.36 7.64 -1.26 -4.72 113.62 118.13 1xsk n SER 276 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1xsk n SER 276 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.21 0.00 -0.87 1.43 7.35 -0.83 -4.52 117.46 119.80 1xsk n PHE 277 Ca 0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 1xsk n PHE 277 Cb 0.00 0.00 0.13 0.00 0.35 0.00 0.00 39.48 39.96 1xsk n PHE 277 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1xsk n THR 278 N -0.43 2.89 -2.84 -2.13 -2.24 -0.44 -4.65 114.28 104.44 1xsk n THR 278 Ca 0.00 -1.73 -0.19 0.00 -2.27 0.00 0.00 64.05 59.86 1xsk n THR 278 Cb 0.00 -0.70 0.03 0.00 -2.10 0.00 0.00 70.33 67.56 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 -2.90 2.73 0.25 4.28 -4.23 -1.26 -4.94 115.64 109.57 1xsk s THR 279 Ca 0.47 -0.85 -0.16 0.00 -1.18 0.00 0.00 61.69 59.98 1xsk s THR 279 Cb 0.39 -2.89 -0.08 0.00 1.34 0.00 0.00 72.50 71.26 1xsk s THR 279 CO 0.07 0.00 0.68 0.20 -0.54 0.00 0.00 174.62 175.03 1xsk s ASN 280 N -4.43 6.87 -0.20 3.99 0.02 -1.26 -5.00 114.94 114.91 1xsk s ASN 280 Ca 0.57 1.26 -0.29 0.00 -1.02 0.00 0.00 52.86 53.38 1xsk s ASN 280 Cb -0.09 -2.36 0.14 0.00 0.02 0.00 0.00 41.25 38.95 1xsk s ASN 280 CO 0.36 -0.06 1.06 -0.72 0.02 0.00 0.00 177.10 177.77 1xsk s TYR 281 N -1.72 -0.34 0.30 2.20 1.13 -1.26 -5.04 117.35 112.62 1xsk s TYR 281 Ca 0.47 0.66 -0.08 0.00 -1.41 0.00 0.00 57.07 56.71 1xsk s TYR 281 Cb -0.13 0.44 0.03 0.00 -1.10 0.00 0.00 41.96 41.19 1xsk s TYR 281 CO 0.19 -0.27 0.54 -0.40 -2.51 0.00 0.00 175.55 173.10 1xsk n ASP 282 N 1.06 -1.54 0.07 -0.18 5.75 -1.26 -5.00 116.55 115.44 1xsk n ASP 282 Ca -0.10 -2.39 -0.12 0.00 -0.01 0.00 0.00 54.79 52.18 1xsk n ASP 282 Cb 0.57 2.66 -0.05 0.00 -1.03 0.00 0.00 41.12 43.28 1xsk n ASP 282 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xsk h GLU 283 N 0.00 -0.39 -0.73 0.11 4.81 -2.00 -0.86 114.58 115.51 1xsk h GLU 283 Ca -0.25 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.17 1xsk h GLU 283 Cb 0.98 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.32 1xsk h GLU 283 CO 0.32 -0.26 -0.04 0.00 -0.73 0.00 0.00 179.01 178.30 1xsk h ALA 284 N 0.40 0.69 -0.82 2.92 0.00 -1.97 0.20 119.26 120.69 1xsk h ALA 284 Ca 0.06 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1xsk h ALA 284 Cb 0.48 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1xsk h ALA 284 CO -0.21 -0.42 0.54 1.15 0.00 0.00 0.00 179.25 180.30 1xsk h THR 285 N 0.08 1.22 0.53 0.00 2.02 -1.76 -1.16 112.91 113.83 1xsk h THR 285 Ca 0.39 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1xsk h THR 285 Cb 0.66 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1xsk h THR 285 CO -0.67 0.21 -0.25 0.58 0.37 0.00 0.00 175.52 175.76 1xsk h VAL 286 N 1.12 0.47 -0.98 3.16 2.07 0.72 -2.61 116.25 120.20 1xsk h VAL 286 Ca 0.30 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.82 1xsk h VAL 286 Cb -0.11 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 30.10 1xsk h VAL 286 CO -0.06 0.02 0.62 0.78 0.02 0.00 0.00 177.57 178.95 1xsk h ASN 287 N -0.78 0.90 -0.53 0.57 4.21 -1.02 0.11 115.58 119.04 1xsk h ASN 287 Ca -0.07 0.04 0.09 0.00 1.21 0.00 0.00 56.30 57.57 1xsk h ASN 287 Cb 0.57 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.60 1xsk h ASN 287 CO 0.12 0.49 0.36 -1.28 -1.29 0.00 0.00 177.43 175.83 1xsk h SER 288 N 0.97 0.32 0.29 5.81 0.87 -0.96 0.35 113.55 121.19 1xsk h SER 288 Ca 0.48 0.01 -0.34 0.00 -1.23 0.00 0.00 61.79 60.71 1xsk h SER 288 Cb 0.47 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1xsk h SER 288 CO -0.24 0.20 -1.60 -0.26 -0.53 0.00 0.00 176.83 174.40 1xsk h PHE 289 N 0.35 0.75 -0.11 2.24 0.04 -0.49 -2.31 116.94 117.42 1xsk h PHE 289 Ca 0.24 -0.55 -0.00 0.00 2.80 0.00 0.00 57.97 60.46 1xsk h PHE 289 Cb 0.50 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1xsk h PHE 289 CO -0.00 1.57 0.05 0.82 -0.60 0.00 0.00 178.31 180.15 1xsk h ILE 290 N 0.11 1.12 0.00 -0.55 2.04 -0.32 -1.95 117.51 117.96 1xsk h ILE 290 Ca -0.29 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 1xsk h ILE 290 Cb 2.10 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 1xsk h ILE 290 CO 0.21 0.11 -0.45 0.44 0.00 0.00 0.00 178.15 178.46 1xsk h ASP 291 N 0.06 0.00 -0.74 1.72 3.32 -0.47 -2.65 116.42 117.66 1xsk h ASP 291 Ca 0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1xsk h ASP 291 Cb 0.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1xsk h ASP 291 CO -0.00 0.45 0.35 1.23 -1.72 0.00 0.00 179.24 179.54 1xsk h GLY 292 N 1.51 1.14 0.63 2.75 0.00 -1.02 -1.56 103.07 106.53 1xsk h GLY 292 Ca -0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1xsk h GLY 292 CO 0.06 0.54 -0.13 -0.33 0.00 0.00 0.00 176.54 176.69 1xsk h MET 293 N 1.04 -0.34 -0.42 4.80 2.86 -1.17 -3.01 114.93 118.69 1xsk h MET 293 Ca 0.25 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 58.00 1xsk h MET 293 Cb 0.13 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.78 1xsk h MET 293 CO -0.03 -0.01 -0.09 0.00 1.06 0.00 0.00 176.91 177.84 1xsk h ALA 294 N -0.14 0.30 -0.82 6.32 0.00 -1.42 0.24 119.26 123.74 1xsk h ALA 294 Ca -0.04 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1xsk h ALA 294 Cb 0.49 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1xsk h ALA 294 CO 0.06 -0.44 0.53 0.93 0.00 0.00 0.00 179.25 180.33 1xsk h GLU 295 N 0.01 0.72 -0.42 0.00 5.08 -1.35 0.19 114.58 118.82 1xsk h GLU 295 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1xsk h GLU 295 Cb 0.31 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xsk h GLU 295 CO -0.42 0.48 0.00 0.54 -1.00 0.00 0.00 179.01 178.60 1xsk n ARG 296 N -4.51 1.98 -3.76 2.33 1.74 -0.31 -4.92 116.66 109.20 1xsk n ARG 296 Ca 0.14 -1.37 -0.23 0.00 -0.77 0.00 0.00 57.85 55.62 1xsk n ARG 296 Cb 0.34 -1.35 0.02 0.00 -1.02 0.00 0.00 32.46 30.45 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 -1.26 -4.08 0.55 3.02 0.67 -4.96 115.26 109.77 1xsk n ASN 297 Ca 0.13 -0.88 -0.34 0.00 -0.03 0.00 0.00 54.58 53.45 1xsk n ASN 297 Cb 0.36 -3.75 -0.13 0.00 -0.61 0.00 0.00 39.78 35.64 1xsk n ASN 297 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xsk s LEU 298 N -6.72 4.84 0.19 3.41 1.43 -0.08 -4.88 118.68 116.88 1xsk s LEU 298 Ca 0.04 -1.97 -0.33 0.00 -1.03 0.00 0.00 54.13 50.84 1xsk s LEU 298 Cb -0.01 -1.73 -0.14 0.00 0.03 0.00 0.00 46.19 44.34 1xsk s LEU 298 CO 0.84 -0.43 1.34 -2.65 0.23 0.00 0.00 176.35 175.67 1xsk n PRO 299 N 4.46 1.68 -4.04 1.29 -0.02 -1.26 -4.24 135.00 132.86 1xsk n PRO 299 Ca -0.01 0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 61.86 1xsk n PRO 299 Cb 0.42 -2.22 -0.17 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.41 1.13 -0.06 2.45 1.98 -1.26 -4.77 118.68 118.56 1xsk s LEU 300 Ca 0.72 -0.12 0.05 0.00 -2.89 0.00 0.00 54.13 51.90 1xsk s LEU 300 Cb -0.75 -0.45 -0.08 0.00 0.66 0.00 0.00 46.19 45.57 1xsk s LEU 300 CO 0.49 -0.09 0.02 1.41 -1.89 0.00 0.00 176.35 176.28 1xsk n HIS 301 N 4.36 0.00 -4.32 5.38 8.25 -0.70 -4.88 115.22 123.32 1xsk n HIS 301 Ca -0.20 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.06 1xsk n HIS 301 Cb 0.51 -0.31 -0.16 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.15 0.70 -0.10 1.59 1.01 -0.83 -1.27 120.40 119.35 1xsk s VAL 302 Ca -0.03 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1xsk s VAL 302 Cb 0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1xsk s VAL 302 CO 0.25 0.23 -0.14 0.12 0.00 0.00 0.00 175.10 175.57 1xsk s PHE 303 N 0.40 2.77 -0.15 5.22 5.36 0.11 -0.91 117.98 130.79 1xsk s PHE 303 Ca -0.06 -0.48 -0.01 0.00 -0.96 0.00 0.00 56.93 55.42 1xsk s PHE 303 Cb -0.10 -1.77 -0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1xsk s PHE 303 CO 0.01 -0.08 -0.13 -1.58 -1.46 0.00 0.00 175.22 171.98 1xsk s HIS 304 N -0.03 2.82 -0.42 10.12 5.65 0.05 -0.67 115.29 132.81 1xsk s HIS 304 Ca -0.03 -0.79 -0.18 0.00 0.25 0.00 0.00 55.06 54.31 1xsk s HIS 304 Cb -0.14 -1.89 0.02 0.00 -1.18 0.00 0.00 32.58 29.39 1xsk s HIS 304 CO 0.04 -0.32 0.49 -0.06 -0.65 0.00 0.00 174.74 174.24 1xsk s PHE 305 N 0.61 3.14 0.02 3.88 0.08 -0.17 -2.40 117.98 123.14 1xsk s PHE 305 Ca -0.07 -0.26 -0.00 0.00 0.12 0.00 0.00 56.93 56.71 1xsk s PHE 305 Cb -0.16 -3.01 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 1xsk s PHE 305 CO 0.03 -0.74 0.02 -3.47 -0.10 0.00 0.00 175.22 170.97 1xsk n ASP 306 N 5.78 -0.26 -0.24 1.36 2.03 -1.26 -1.33 116.55 122.62 1xsk n ASP 306 Ca -0.06 -0.88 0.01 0.00 0.52 0.00 0.00 54.79 54.38 1xsk n ASP 306 Cb 0.48 -0.02 0.05 0.00 -0.72 0.00 0.00 41.12 40.91 1xsk n ASP 306 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xsk n PHE 308 N -4.99 0.00 0.60 0.00 3.72 -1.26 -1.88 117.46 113.65 1xsk n PHE 308 Ca 0.08 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.61 1xsk n PHE 308 Cb 0.28 -0.01 0.42 0.00 -0.94 0.00 0.00 39.48 39.23 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 -0.09 0.92 -3.95 1.38 4.27 -1.01 -4.73 117.44 114.23 1xsk n TRP 309 Ca 0.00 0.28 -0.22 0.00 -3.89 0.00 0.00 57.50 53.67 1xsk n TRP 309 Cb 0.02 -0.95 -0.05 0.00 -1.36 0.00 0.00 31.31 28.97 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 -3.13 2.60 0.37 -2.67 -1.94 -0.79 -0.91 119.30 112.83 1xsk s MET 310 Ca 0.10 -1.37 -0.26 0.00 -1.71 0.00 0.00 55.69 52.45 1xsk s MET 310 Cb 0.12 -2.37 -0.09 0.00 2.01 0.00 0.00 34.83 34.50 1xsk s MET 310 CO 0.57 0.13 1.12 0.15 -0.01 0.00 0.00 175.02 176.98 1xsk s LYS 311 N -3.92 4.25 0.56 2.03 1.02 -1.26 -4.67 119.74 117.75 1xsk s LYS 311 Ca 0.39 1.74 -0.19 0.00 0.02 0.00 0.00 55.97 57.92 1xsk s LYS 311 Cb -0.05 -2.78 -0.07 0.00 -0.52 0.00 0.00 37.83 34.41 1xsk s LYS 311 CO 0.25 -0.12 0.84 0.00 -0.92 0.00 0.00 175.35 175.40 1xsk n ALA 312 N 0.34 -0.22 -0.37 5.17 0.00 -1.26 -1.95 120.51 122.22 1xsk n ALA 312 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xsk n ALA 312 Cb 0.47 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 -1.52 0.00 -0.27 0.00 3.72 -1.26 -4.64 117.46 113.49 1xsk n PHE 313 Ca 0.12 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.59 1xsk n PHE 313 Cb 0.46 -1.20 0.19 0.00 -0.94 0.00 0.00 39.48 38.00 1xsk n PHE 313 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xsk n GLN 314 N -2.00 2.88 -1.64 -1.08 6.02 -0.82 -3.95 117.38 116.79 1xsk n GLN 314 Ca 0.00 -2.23 -0.61 0.00 -0.01 0.00 0.00 57.00 54.15 1xsk n GLN 314 Cb 0.00 -1.37 -0.09 0.00 1.02 0.00 0.00 30.24 29.80 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 0.67 1.81 -1.88 1.08 8.01 -1.24 -3.14 117.44 122.75 1xsk n TRP 315 Ca 0.15 0.74 -0.03 0.00 -1.31 0.00 0.00 57.50 57.05 1xsk n TRP 315 Cb 0.50 -2.37 0.01 0.00 -2.01 0.00 0.00 31.31 27.44 1xsk n TRP 315 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1xsk n ASP 317 N -1.72 1.13 -2.42 0.00 5.75 -1.19 -4.75 116.55 113.35 1xsk n ASP 317 Ca -0.02 -1.07 -0.15 0.00 -0.01 0.00 0.00 54.79 53.54 1xsk n ASP 317 Cb 0.52 0.51 0.05 0.00 -1.03 0.00 0.00 41.12 41.17 1xsk n ASP 317 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1xsk n PHE 318 N -0.33 -1.77 -4.53 2.11 3.72 -1.26 -5.02 117.46 110.38 1xsk n PHE 318 Ca 0.04 0.61 -0.30 0.00 -0.05 0.00 0.00 57.45 57.75 1xsk n PHE 318 Cb 0.20 -3.55 -0.17 0.00 -0.94 0.00 0.00 39.48 35.02 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 -5.76 2.45 0.24 -1.08 0.41 -1.26 -5.07 118.70 108.64 1xsk s GLU 319 Ca 0.35 -0.65 -0.30 0.00 -0.41 0.00 0.00 54.97 53.96 1xsk s GLU 319 Cb -0.15 -2.05 -0.10 0.00 -1.78 0.00 0.00 34.13 30.05 1xsk s GLU 319 CO 0.43 -0.05 1.41 -1.58 -0.49 0.00 0.00 175.26 174.99 1xsk s TRP 320 N 0.93 3.06 -0.32 1.61 0.52 -1.26 -4.09 118.94 119.40 1xsk s TRP 320 Ca -0.07 1.08 -0.29 0.00 0.02 0.00 0.00 56.10 56.84 1xsk s TRP 320 Cb -0.15 -3.78 -0.07 0.00 -1.15 0.00 0.00 33.47 28.32 1xsk s TRP 320 CO -0.02 -2.50 2.27 -3.47 0.02 0.00 0.00 176.95 173.26 1xsk n ASP 321 N 2.31 2.80 0.00 2.95 -0.08 -0.09 -4.80 116.55 119.64 1xsk n ASP 321 Ca 0.06 0.08 0.03 0.00 -1.51 0.00 0.00 54.79 53.45 1xsk n ASP 321 Cb 0.41 -1.50 0.13 0.00 2.34 0.00 0.00 41.12 42.50 1xsk n ASP 321 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1xsk n PRO 322 N 8.72 0.04 -0.09 -0.67 -0.02 -1.26 -0.50 135.00 141.22 1xsk n PRO 322 Ca 0.34 0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1xsk n PRO 322 Cb 0.42 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.26 1xsk n PRO 322 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xsk n LEU 323 N -1.39 1.57 -0.00 2.45 4.77 -1.26 -4.03 117.00 119.11 1xsk n LEU 323 Ca 0.02 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 1xsk n LEU 323 Cb 0.05 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 40.73 1xsk n LEU 323 CO 0.05 0.70 -0.48 0.74 -1.33 0.00 0.00 177.39 177.07 1xsk h THR 324 N 0.01 0.93 -2.59 -5.08 2.02 -1.88 -3.41 112.91 102.91 1xsk h THR 324 Ca -0.52 -2.73 -0.60 0.00 0.77 0.00 0.00 66.41 63.33 1xsk h THR 324 Cb 2.06 2.51 -0.40 0.00 -1.74 0.00 0.00 68.15 70.58 1xsk h THR 324 CO -0.00 0.63 -0.76 0.49 0.37 0.00 0.00 175.52 176.24 1xsk n PHE 325 N -3.18 1.61 -0.19 3.16 3.72 0.35 -4.41 117.46 118.52 1xsk n PHE 325 Ca -0.17 -3.89 0.11 0.00 -0.05 0.00 0.00 57.45 53.44 1xsk n PHE 325 Cb 1.04 -0.31 0.41 0.00 -0.94 0.00 0.00 39.48 39.68 1xsk n PHE 325 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xsk h PRO 326 N 5.09 0.60 -2.50 -1.08 0.11 -1.78 -3.35 132.00 129.09 1xsk h PRO 326 Ca 0.19 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.67 1xsk h PRO 326 Cb 0.80 -0.14 -0.39 0.00 0.11 0.00 0.00 31.00 31.39 1xsk h PRO 326 CO 0.60 0.40 -0.90 0.34 -0.21 0.00 0.00 178.00 178.23 1xsk s ASP 327 N -6.03 2.21 0.10 -2.05 2.15 -1.26 -5.03 116.67 106.76 1xsk s ASP 327 Ca -0.09 -2.78 -0.34 0.00 0.43 0.00 0.00 52.55 49.77 1xsk s ASP 327 Cb 0.20 -0.50 -0.14 0.00 -0.30 0.00 0.00 42.92 42.18 1xsk s ASP 327 CO 0.77 -0.22 1.58 -0.65 -0.17 0.00 0.00 175.17 176.48 1xsk h PRO 328 N 6.15 -0.81 -0.25 4.34 0.11 -1.99 -1.62 132.00 137.93 1xsk h PRO 328 Ca 0.18 0.06 0.07 0.00 0.11 0.00 0.00 66.00 66.42 1xsk h PRO 328 Cb 0.92 0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1xsk h PRO 328 CO 0.35 -0.54 0.19 1.05 -0.21 0.00 0.00 178.00 178.84 1xsk h GLU 329 N -0.84 0.00 0.03 1.05 9.09 -1.96 -1.10 114.58 120.86 1xsk h GLU 329 Ca -0.03 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.11 1xsk h GLU 329 Cb 0.78 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.90 1xsk h GLU 329 CO -0.15 0.00 -1.09 0.78 0.05 0.00 0.00 179.01 178.61 1xsk h GLY 330 N 0.00 0.73 0.96 1.06 0.00 -1.87 -2.66 103.07 101.28 1xsk h GLY 330 Ca 0.12 -1.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.10 1xsk h GLY 330 CO -0.00 1.18 0.20 1.98 0.00 0.00 0.00 176.54 179.90 1xsk h MET 331 N 0.35 0.59 -0.64 4.80 1.85 -0.25 -2.42 114.93 119.21 1xsk h MET 331 Ca -0.14 -0.09 -0.05 0.00 -0.61 0.00 0.00 59.70 58.82 1xsk h MET 331 Cb 1.74 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 33.64 1xsk h MET 331 CO 0.21 0.51 0.21 0.82 -0.40 0.00 0.00 176.91 178.26 1xsk h ILE 332 N 0.52 1.25 -0.23 1.77 2.04 -1.35 -2.16 117.51 119.35 1xsk h ILE 332 Ca 0.14 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.23 1xsk h ILE 332 Cb 0.12 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 1xsk h ILE 332 CO -0.02 0.32 -0.07 -0.09 0.00 0.00 0.00 178.15 178.29 1xsk h ARG 333 N 0.91 -0.02 0.00 2.37 2.43 -1.26 0.91 114.38 119.72 1xsk h ARG 333 Ca 0.21 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1xsk h ARG 333 Cb 0.27 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1xsk h ARG 333 CO -0.01 -0.02 -0.16 0.00 -1.51 0.00 0.00 179.97 178.28 1xsk h ARG 334 N -0.02 0.00 0.15 0.20 3.08 -1.29 -1.41 114.38 115.10 1xsk h ARG 334 Ca 0.11 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.86 1xsk h ARG 334 Cb 0.20 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.27 1xsk h ARG 334 CO -0.25 0.16 -1.30 -0.07 -1.07 0.00 0.00 179.97 177.44 1xsk h LEU 335 N 0.00 0.82 -0.63 3.04 3.38 -0.58 -3.24 115.31 118.10 1xsk h LEU 335 Ca -0.00 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 57.14 1xsk h LEU 335 Cb 0.49 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xsk h LEU 335 CO 0.02 1.60 -0.18 0.11 0.09 0.00 0.00 178.44 180.09 1xsk h LYS 336 N 0.22 0.00 0.00 1.13 1.57 -0.62 -2.02 116.57 116.85 1xsk h LYS 336 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1xsk h LYS 336 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.29 1xsk h LYS 336 CO 0.24 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.30 1xsk n ALA 337 N -2.16 1.64 -0.97 3.86 0.00 -0.55 -0.55 120.51 121.79 1xsk n ALA 337 Ca 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.48 1xsk n ALA 337 Cb 0.50 -1.28 0.36 0.00 0.00 0.00 0.00 19.45 19.03 1xsk n ALA 337 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xsk n LYS 338 N -1.74 4.38 -3.15 0.00 5.02 -0.76 -4.91 118.16 116.99 1xsk n LYS 338 Ca 0.03 -3.13 -0.18 0.00 -2.02 0.00 0.00 58.31 53.01 1xsk n LYS 338 Cb 0.18 -2.22 0.05 0.00 -0.02 0.00 0.00 35.03 33.02 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 0.27 -0.25 3.70 0.72 0.00 0.29 -5.01 105.19 104.92 1xsk n GLY 339 Ca 0.32 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 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 -5.73 3.54 -0.03 0.99 1.43 -1.21 -4.87 118.68 112.80 1xsk s LEU 340 Ca 0.37 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1xsk s LEU 340 Cb -0.16 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1xsk s LEU 340 CO 0.46 0.19 0.16 -0.54 0.23 0.00 0.00 176.35 176.84 1xsk s LYS 341 N -2.19 3.37 -0.09 1.70 -0.14 -0.40 -4.42 119.74 117.57 1xsk s LYS 341 Ca 0.25 -0.31 0.03 0.00 -1.36 0.00 0.00 55.97 54.58 1xsk s LYS 341 Cb -0.12 -3.07 -0.01 0.00 -1.68 0.00 0.00 37.83 32.95 1xsk s LYS 341 CO 0.18 0.69 -0.20 0.42 -0.76 0.00 0.00 175.35 175.68 1xsk s ILE 342 N -1.24 2.50 0.00 2.17 1.09 -1.26 0.08 121.20 124.54 1xsk s ILE 342 Ca 0.24 -0.88 0.07 0.00 -1.10 0.00 0.00 60.65 58.98 1xsk s ILE 342 Cb -0.12 -1.98 -0.02 0.00 -1.06 0.00 0.00 42.46 39.28 1xsk s ILE 342 CO 0.15 0.56 -0.21 0.00 -0.10 0.00 0.00 174.94 175.33 1xsk s VAL 344 N -0.60 1.28 0.42 0.00 -7.23 -1.07 -1.00 120.40 112.20 1xsk s VAL 344 Ca 0.08 -1.05 -0.24 0.00 -1.81 0.00 0.00 61.98 58.95 1xsk s VAL 344 Cb -0.08 -1.14 -0.08 0.00 0.56 0.00 0.00 36.38 35.64 1xsk s VAL 344 CO 0.00 0.07 1.17 0.86 -0.31 0.00 0.00 175.10 176.89 1xsk s TRP 345 N -0.83 2.99 0.21 2.82 -0.00 -0.44 -2.11 118.94 121.57 1xsk s TRP 345 Ca 0.03 1.54 -0.18 0.00 -0.00 0.00 0.00 56.10 57.50 1xsk s TRP 345 Cb -0.08 -3.39 0.02 0.00 -0.00 0.00 0.00 33.47 30.02 1xsk s TRP 345 CO 0.01 -1.40 0.55 0.96 -0.00 0.00 0.00 176.95 177.07 1xsk s ILE 346 N -1.47 0.02 0.27 5.86 -4.36 -0.96 -4.88 121.20 115.67 1xsk s ILE 346 Ca 0.60 -0.86 -0.19 0.00 -0.26 0.00 0.00 60.65 59.94 1xsk s ILE 346 Cb -0.30 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 41.74 1xsk s ILE 346 CO 0.37 -0.08 0.66 0.54 0.24 0.00 0.00 174.94 176.67 1xsk s ASN 347 N -2.89 -0.24 -0.08 4.36 6.03 -1.26 -1.57 114.94 119.29 1xsk s ASN 347 Ca 0.11 -0.64 0.07 0.00 -1.03 0.00 0.00 52.86 51.37 1xsk s ASN 347 Cb -0.02 0.69 0.35 0.00 -3.03 0.00 0.00 41.25 39.25 1xsk s ASN 347 CO -0.00 -1.28 1.11 -0.81 -2.03 0.00 0.00 177.10 174.08 1xsk n PRO 348 N -0.44 2.51 -4.45 3.55 -0.04 -1.26 -4.92 135.00 129.95 1xsk n PRO 348 Ca -0.04 -1.36 -0.28 0.00 -0.04 0.00 0.00 63.50 61.78 1xsk n PRO 348 Cb 0.60 -1.70 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 1xsk n PRO 348 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xsk s TYR 349 N -1.73 2.42 -0.18 0.54 2.02 -1.26 -2.07 117.35 117.09 1xsk s TYR 349 Ca 0.24 -0.69 -0.07 0.00 -0.37 0.00 0.00 57.07 56.18 1xsk s TYR 349 Cb 0.17 -1.82 0.08 0.00 -0.40 0.00 0.00 41.96 39.99 1xsk s TYR 349 CO 0.09 0.30 0.39 -1.50 -1.57 0.00 0.00 175.55 173.26 1xsk s ILE 350 N -2.70 -0.48 0.42 2.71 2.07 -0.67 -4.43 121.20 118.12 1xsk s ILE 350 Ca 0.33 0.17 -0.25 0.00 -1.41 0.00 0.00 60.65 59.49 1xsk s ILE 350 Cb 0.06 -0.62 -0.08 0.00 0.13 0.00 0.00 42.46 41.96 1xsk s ILE 350 CO 0.18 0.07 1.21 -0.83 -1.91 0.00 0.00 174.94 173.66 1xsk s GLY 351 N 2.33 2.87 0.52 1.50 0.00 -1.21 -1.67 107.32 111.66 1xsk s GLY 351 Ca -0.03 1.05 0.17 0.00 0.00 0.00 0.00 44.72 45.91 1xsk s GLY 351 CO -0.12 1.57 2.14 -1.61 0.00 0.00 0.00 173.10 175.08 1xsk h GLN 352 N 2.51 0.00 0.00 2.90 4.15 -1.49 -2.71 115.11 120.47 1xsk h GLN 352 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1xsk h GLN 352 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1xsk h GLN 352 CO 0.62 0.00 0.00 1.17 -1.93 0.00 0.00 178.83 178.69 1xsk n LYS 353 N -4.52 0.05 -2.97 1.69 4.81 -1.25 -4.74 118.16 111.23 1xsk n LYS 353 Ca -0.02 0.29 -0.40 0.00 -0.87 0.00 0.00 58.31 57.32 1xsk n LYS 353 Cb 0.12 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.62 1xsk n LYS 353 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1xsk s SER 354 N -2.79 7.28 0.54 3.14 0.15 -1.02 -4.90 113.70 116.10 1xsk s SER 354 Ca 0.05 1.52 0.26 0.00 0.70 0.00 0.00 55.95 58.48 1xsk s SER 354 Cb 0.05 -2.48 1.43 0.00 -1.71 0.00 0.00 66.02 63.31 1xsk s SER 354 CO 0.12 0.07 2.01 -0.65 1.20 0.00 0.00 173.24 176.00 1xsk h PRO 355 N 5.26 0.00 -0.08 5.44 0.11 -1.91 0.11 132.00 140.92 1xsk h PRO 355 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 1xsk h PRO 355 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xsk h PRO 355 CO 0.69 0.00 -0.38 0.28 -0.21 0.00 0.00 178.00 178.38 1xsk h VAL 356 N 0.00 1.29 -0.47 3.15 2.07 -1.94 -3.24 116.25 117.12 1xsk h VAL 356 Ca 0.21 -1.41 0.10 0.00 0.82 0.00 0.00 66.70 66.42 1xsk h VAL 356 Cb 0.89 1.65 -0.10 0.00 -1.52 0.00 0.00 31.29 32.22 1xsk h VAL 356 CO -0.00 0.42 -0.22 0.15 0.02 0.00 0.00 177.57 177.94 1xsk h PHE 357 N 0.14 -0.54 -0.73 1.57 3.04 -1.06 0.78 116.94 120.14 1xsk h PHE 357 Ca 0.02 0.05 0.02 0.00 3.98 0.00 0.00 57.97 62.04 1xsk h PHE 357 Cb 0.74 0.31 -0.04 0.00 2.56 0.00 0.00 35.95 39.52 1xsk h PHE 357 CO 0.01 -0.30 0.47 -0.22 -2.02 0.00 0.00 178.31 176.25 1xsk h LYS 358 N -0.12 0.92 -0.30 1.11 3.64 -1.70 0.20 116.57 120.32 1xsk h LYS 358 Ca 0.22 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1xsk h LYS 358 Cb 0.46 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1xsk h LYS 358 CO -0.54 0.61 0.15 1.49 -2.27 0.00 0.00 179.45 178.89 1xsk h GLU 359 N 0.94 0.43 -0.68 1.90 4.81 -1.34 0.11 114.58 120.77 1xsk h GLU 359 Ca 0.28 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1xsk h GLU 359 Cb -0.05 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1xsk h GLU 359 CO -0.09 0.40 0.28 -0.07 -0.73 0.00 0.00 179.01 178.80 1xsk h LEU 360 N 0.36 0.93 -0.58 1.64 3.38 -0.46 0.15 115.31 120.74 1xsk h LEU 360 Ca 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1xsk h LEU 360 Cb 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1xsk h LEU 360 CO -0.01 0.84 0.31 -0.61 0.09 0.00 0.00 178.44 179.06 1xsk h GLN 361 N 0.96 0.82 -0.36 1.13 4.15 -0.29 0.48 115.11 122.01 1xsk h GLN 361 Ca 0.23 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.45 1xsk h GLN 361 Cb 0.20 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1xsk h GLN 361 CO -0.02 0.64 -0.15 0.93 -1.93 0.00 0.00 178.83 178.30 1xsk h GLU 362 N 0.79 0.64 0.00 1.69 5.08 -0.32 -2.78 114.58 119.68 1xsk h GLU 362 Ca 0.20 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1xsk h GLU 362 Cb 0.07 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xsk h GLU 362 CO -0.03 0.77 -0.10 0.87 -1.00 0.00 0.00 179.01 179.52 1xsk h LYS 363 N 0.58 0.00 -0.35 2.33 1.57 -0.65 -3.48 116.57 116.58 1xsk h LYS 363 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xsk h LYS 363 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1xsk h LYS 363 CO 0.04 0.10 0.00 0.41 -0.57 0.00 0.00 179.45 179.43 1xsk n GLY 364 N 0.91 0.69 0.58 3.86 0.00 0.10 -4.97 105.19 106.35 1xsk n GLY 364 Ca 0.03 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.16 0.00 -4.03 1.61 4.01 -0.82 -4.93 117.16 109.84 1xsk n TYR 365 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 1xsk n TYR 365 Cb 0.45 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.44 1xsk n TYR 365 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsk s LEU 366 N -2.05 4.05 0.07 7.72 1.43 -1.26 -0.78 118.68 127.86 1xsk s LEU 366 Ca 0.34 -0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.08 1xsk s LEU 366 Cb 0.21 -2.62 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 1xsk s LEU 366 CO 0.35 -0.00 1.50 -0.22 0.23 0.00 0.00 176.35 178.21 1xsk s LEU 367 N -3.58 4.35 0.11 1.79 2.96 0.95 -4.64 118.68 120.62 1xsk s LEU 367 Ca 0.33 2.35 0.04 0.00 -0.22 0.00 0.00 54.13 56.63 1xsk s LEU 367 Cb -0.09 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1xsk s LEU 367 CO 0.26 -0.77 0.08 -0.54 -1.32 0.00 0.00 176.35 174.06 1xsk s LYS 368 N 2.05 2.81 0.85 1.98 1.02 -1.26 -1.37 119.74 125.82 1xsk s LYS 368 Ca 0.68 -0.78 -0.13 0.00 0.02 0.00 0.00 55.97 55.76 1xsk s LYS 368 Cb -0.37 -2.66 0.11 0.00 -0.52 0.00 0.00 37.83 34.39 1xsk s LYS 368 CO 0.30 0.53 1.20 1.03 -0.92 0.00 0.00 175.35 177.49 1xsk s ARG 369 N -2.60 1.63 0.50 1.68 0.52 0.19 -1.25 118.95 119.61 1xsk s ARG 369 Ca 0.29 0.04 0.16 0.00 -0.52 0.00 0.00 55.73 55.70 1xsk s ARG 369 Cb -0.11 -1.92 1.22 0.00 0.52 0.00 0.00 34.95 34.66 1xsk s ARG 369 CO 0.22 -1.82 2.11 -1.35 0.02 0.00 0.00 175.30 174.48 1xsk h PRO 370 N -1.22 0.10 0.00 3.54 0.11 -1.84 -2.21 132.00 130.48 1xsk h PRO 370 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xsk h PRO 370 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1xsk h PRO 370 CO 0.61 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 1xsk n ASP 371 N -4.51 0.00 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.52 1xsk n ASP 371 Ca 0.00 0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 1xsk n ASP 371 Cb 0.17 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 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 0.98 1.28 3.83 6.12 0.00 -0.83 -5.09 105.19 111.47 1xsk n GLY 372 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.79 3.84 0.25 1.61 1.04 -1.26 -4.77 113.70 112.62 1xsk s SER 373 Ca 0.00 0.88 -0.22 0.00 0.48 0.00 0.00 55.95 57.09 1xsk s SER 373 Cb 0.00 -1.41 -0.09 0.00 0.10 0.00 0.00 66.02 64.62 1xsk s SER 373 CO 0.00 -2.34 0.79 -0.76 0.98 0.00 0.00 173.24 171.91 1xsk s LEU 374 N -5.88 4.35 0.14 2.42 1.43 -1.26 -0.64 118.68 119.25 1xsk s LEU 374 Ca 0.63 1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 54.99 1xsk s LEU 374 Cb -0.13 -3.70 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 1xsk s LEU 374 CO 0.52 0.01 1.04 0.86 0.23 0.00 0.00 176.35 179.01 1xsk s TRP 375 N -1.53 3.69 0.05 0.29 -0.00 -0.47 -4.67 118.94 116.30 1xsk s TRP 375 Ca 0.45 1.68 -0.21 0.00 -0.00 0.00 0.00 56.10 58.02 1xsk s TRP 375 Cb -0.18 -3.18 0.05 0.00 -0.00 0.00 0.00 33.47 30.16 1xsk s TRP 375 CO 0.22 -0.26 0.49 -0.65 -0.00 0.00 0.00 176.95 176.75 1xsk s GLN 376 N -0.16 1.02 0.26 5.86 -0.21 -1.26 -4.51 119.66 120.65 1xsk s GLN 376 Ca 0.49 -0.29 -0.21 0.00 0.02 0.00 0.00 55.36 55.37 1xsk s GLN 376 Cb -0.27 0.46 0.05 0.00 1.00 0.00 0.00 33.01 34.25 1xsk s GLN 376 CO 0.32 -0.37 0.85 1.67 -2.12 0.00 0.00 175.29 175.65 1xsk s TRP 377 N -2.54 -0.06 -0.33 0.91 1.48 -1.20 -4.98 118.94 112.22 1xsk s TRP 377 Ca -0.05 -0.41 0.09 0.00 -1.06 0.00 0.00 56.10 54.67 1xsk s TRP 377 Cb -0.01 0.72 0.58 0.00 -1.16 0.00 0.00 33.47 33.61 1xsk s TRP 377 CO -0.03 -1.16 1.63 -0.25 -4.06 0.00 0.00 176.95 173.08 1xsk n ASP 378 N -0.81 3.26 -4.80 -2.66 8.00 -1.26 -0.80 116.55 117.48 1xsk n ASP 378 Ca -0.05 -3.58 -0.38 0.00 0.71 0.00 0.00 54.79 51.48 1xsk n ASP 378 Cb 0.60 -0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 1xsk n ASP 378 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xsk s LYS 379 N -3.19 4.11 0.00 -1.24 1.02 -1.26 -4.39 119.74 114.80 1xsk s LYS 379 Ca 0.49 0.53 0.00 0.00 0.02 0.00 0.00 55.97 57.01 1xsk s LYS 379 Cb 0.42 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 1xsk s LYS 379 CO 0.05 0.54 0.00 1.87 -0.92 0.00 0.00 175.35 176.89 1xsk n TRP 380 N 2.26 0.00 -4.13 3.18 -0.00 -1.26 -4.77 117.44 112.72 1xsk n TRP 380 Ca -0.11 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.23 1xsk n TRP 380 Cb 0.52 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.71 1xsk n TRP 380 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xsk s GLN 381 N 0.00 0.70 0.12 5.87 -1.52 -1.26 -5.03 119.66 118.54 1xsk s GLN 381 Ca 0.00 -0.88 -0.31 0.00 -1.95 0.00 0.00 55.36 52.22 1xsk s GLN 381 Cb 0.00 -0.60 -0.08 0.00 -0.22 0.00 0.00 33.01 32.12 1xsk s GLN 381 CO 0.00 0.12 1.32 -1.25 -0.25 0.00 0.00 175.29 175.24 1xsk s PRO 382 N -1.70 4.37 -1.62 2.91 0.04 -1.26 -2.72 135.00 135.01 1xsk s PRO 382 Ca -0.05 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.97 1xsk s PRO 382 Cb -0.10 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1xsk s PRO 382 CO 0.01 -0.34 0.11 0.41 0.04 0.00 0.00 177.00 177.23 1xsk n GLY 383 N 3.15 -0.50 3.69 0.56 0.00 -1.07 -2.08 105.19 108.94 1xsk n GLY 383 Ca 0.10 0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1xsk n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsk n LEU 384 N -3.17 3.72 -4.86 0.99 0.00 0.02 -3.65 117.00 110.05 1xsk n LEU 384 Ca -0.20 1.02 -0.21 0.00 0.00 0.00 0.00 56.01 56.61 1xsk n LEU 384 Cb 0.66 -1.49 -0.03 0.00 0.00 0.00 0.00 43.42 42.55 1xsk n LEU 384 CO 0.31 0.03 -0.01 0.00 0.00 0.00 0.00 177.39 177.71 1xsk s ALA 385 N 2.33 4.02 -0.10 1.96 0.00 -0.67 -3.25 121.76 126.06 1xsk s ALA 385 Ca 0.82 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.91 1xsk s ALA 385 Cb -0.56 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1xsk s ALA 385 CO 0.39 -0.22 -0.21 0.42 0.00 0.00 0.00 175.76 176.14 1xsk s ILE 386 N -2.49 1.85 0.21 0.00 1.01 -1.26 -1.67 121.20 118.85 1xsk s ILE 386 Ca 0.47 -0.89 -0.31 0.00 0.00 0.00 0.00 60.65 59.92 1xsk s ILE 386 Cb -0.02 -1.62 -0.11 0.00 0.01 0.00 0.00 42.46 40.72 1xsk s ILE 386 CO 0.27 0.51 1.59 -0.31 0.00 0.00 0.00 174.94 177.01 1xsk s TYR 387 N 0.49 2.95 -1.00 3.97 1.51 -0.88 -0.04 117.35 124.36 1xsk s TYR 387 Ca -0.16 0.65 -0.17 0.00 -1.01 0.00 0.00 57.07 56.37 1xsk s TYR 387 Cb -0.17 -3.99 0.15 0.00 -0.11 0.00 0.00 41.96 37.83 1xsk s TYR 387 CO 0.06 -3.57 1.19 0.34 -1.11 0.00 0.00 175.55 172.47 1xsk s ASP 388 N 0.90 6.76 0.00 2.29 -1.08 0.04 -4.70 116.67 120.88 1xsk s ASP 388 Ca 0.68 -2.35 0.09 0.00 -0.52 0.00 0.00 52.55 50.45 1xsk s ASP 388 Cb -0.46 -2.39 0.45 0.00 -1.46 0.00 0.00 42.92 39.06 1xsk s ASP 388 CO 0.37 -0.94 1.13 0.49 0.52 0.00 0.00 175.17 176.73 1xsk n PHE 389 N 6.12 0.00 1.71 -5.34 0.99 -1.26 -1.43 117.46 118.25 1xsk n PHE 389 Ca 0.27 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.85 1xsk n PHE 389 Cb 0.47 -0.25 0.66 0.00 -1.00 0.00 0.00 39.48 39.36 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 -1.25 0.03 -3.52 4.37 -2.24 -1.26 -4.67 114.28 105.74 1xsk n THR 390 Ca 0.04 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1xsk n THR 390 Cb 0.06 0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.88 5.95 0.17 3.42 3.84 -0.51 -4.26 114.94 121.65 1xsk s ASN 391 Ca 0.39 -0.90 -0.26 0.00 0.21 0.00 0.00 52.86 52.30 1xsk s ASN 391 Cb 0.20 -2.10 0.02 0.00 -0.55 0.00 0.00 41.25 38.82 1xsk s ASN 391 CO 0.32 -0.41 1.56 -0.65 -2.79 0.00 0.00 177.10 175.13 1xsk h PRO 392 N 8.54 -0.20 -0.11 0.43 0.11 -1.87 -0.52 132.00 138.38 1xsk h PRO 392 Ca -0.27 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.87 1xsk h PRO 392 Cb 1.12 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1xsk h PRO 392 CO 0.70 -0.14 0.08 -0.44 -0.21 0.00 0.00 178.00 177.99 1xsk h ASP 393 N -0.21 0.09 -0.19 -2.05 5.19 -1.96 -1.34 116.42 115.96 1xsk h ASP 393 Ca 0.18 -0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.40 1xsk h ASP 393 Cb 0.56 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 1xsk h ASP 393 CO -0.72 0.06 -0.56 0.00 -3.12 0.00 0.00 179.24 174.91 1xsk h ALA 394 N 1.93 0.53 -0.19 3.45 0.00 -1.44 -1.84 119.26 121.71 1xsk h ALA 394 Ca 0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1xsk h ALA 394 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xsk h ALA 394 CO -0.01 0.68 0.08 0.00 0.00 0.00 0.00 179.25 180.01 1xsk h LYS 396 N 0.16 1.21 -0.24 0.00 3.64 -1.26 0.32 116.57 120.39 1xsk h LYS 396 Ca 0.06 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1xsk h LYS 396 Cb 0.16 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1xsk h LYS 396 CO -0.01 0.80 0.11 2.35 -2.27 0.00 0.00 179.45 180.44 1xsk h TRP 397 N 1.24 0.35 0.03 1.91 7.01 -1.06 0.32 115.95 125.75 1xsk h TRP 397 Ca 0.41 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.39 1xsk h TRP 397 Cb 0.05 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1xsk h TRP 397 CO -0.00 0.35 -0.01 -0.92 -2.79 0.00 0.00 178.44 175.06 1xsk h TYR 398 N 0.26 -0.03 -0.95 2.65 3.20 -0.61 -2.78 116.97 118.70 1xsk h TYR 398 Ca 0.08 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.05 1xsk h TYR 398 Cb 0.13 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.33 1xsk h TYR 398 CO -0.02 0.16 0.59 0.00 -1.64 0.00 0.00 178.16 177.25 1xsk h ALA 399 N 0.76 1.38 -0.33 1.82 0.00 -0.28 -1.31 119.26 121.29 1xsk h ALA 399 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xsk h ALA 399 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xsk h ALA 399 CO 0.01 0.25 0.03 -0.44 0.00 0.00 0.00 179.25 179.10 1xsk h ASP 400 N 0.99 0.46 -0.00 0.00 3.32 -0.76 0.18 116.42 120.61 1xsk h ASP 400 Ca 0.45 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.29 1xsk h ASP 400 Cb 0.36 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1xsk h ASP 400 CO -0.23 0.51 -0.45 0.11 -1.72 0.00 0.00 179.24 177.45 1xsk h LYS 401 N 0.48 0.54 -0.21 3.56 1.79 -0.99 -1.98 116.57 119.77 1xsk h LYS 401 Ca 0.11 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.25 1xsk h LYS 401 Cb 0.27 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1xsk h LYS 401 CO 0.00 0.88 0.00 -0.07 -1.08 0.00 0.00 179.45 179.19 1xsk h LEU 402 N 0.44 0.35 -1.17 2.94 3.38 -0.70 -2.57 115.31 117.99 1xsk h LEU 402 Ca 0.03 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.79 1xsk h LEU 402 Cb 0.96 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1xsk h LEU 402 CO 0.09 0.57 0.58 0.11 0.09 0.00 0.00 178.44 179.88 1xsk h LYS 403 N 0.13 0.90 -0.60 1.13 1.57 -0.89 -0.33 116.57 118.47 1xsk h LYS 403 Ca 0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xsk h LYS 403 Cb 0.39 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1xsk h LYS 403 CO 0.01 0.59 0.32 0.78 -0.57 0.00 0.00 179.45 180.59 1xsk h GLY 404 N 0.92 0.89 1.25 3.86 0.00 -1.01 0.13 103.07 109.11 1xsk h GLY 404 Ca 0.42 -0.39 -0.20 0.00 0.00 0.00 0.00 47.33 47.15 1xsk h GLY 404 CO -0.18 0.37 -0.69 1.41 0.00 0.00 0.00 176.54 177.45 1xsk h LEU 405 N 0.84 0.88 0.08 3.11 3.38 -0.73 -3.14 115.31 119.72 1xsk h LEU 405 Ca 0.21 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1xsk h LEU 405 Cb 0.03 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1xsk h LEU 405 CO -0.03 1.33 -0.04 0.58 0.09 0.00 0.00 178.44 180.37 1xsk h VAL 406 N 0.54 0.97 0.00 1.22 2.07 -0.53 -1.39 116.25 119.14 1xsk h VAL 406 Ca -0.03 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1xsk h VAL 406 Cb 1.30 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1xsk h VAL 406 CO 0.14 0.03 0.05 0.00 0.02 0.00 0.00 177.57 177.81 1xsk n ALA 407 N -2.17 0.91 1.01 1.67 0.00 0.38 -0.24 120.51 122.07 1xsk n ALA 407 Ca -0.08 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1xsk n ALA 407 Cb 0.09 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 1xsk n ALA 407 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1xsk n MET 408 N -1.54 0.32 0.00 0.00 0.00 -0.55 -4.97 117.12 110.38 1xsk n MET 408 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.44 1xsk n MET 408 Cb 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.78 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 1.48 1.49 3.76 -5.12 0.00 0.67 -4.77 105.19 102.70 1xsk n GLY 409 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.89 2.77 -0.11 1.61 1.01 -1.01 -4.60 120.40 118.18 1xsk s VAL 410 Ca 0.00 0.74 0.12 0.00 0.00 0.00 0.00 61.98 62.84 1xsk s VAL 410 Cb 0.00 -3.47 -0.16 0.00 0.00 0.00 0.00 36.38 32.74 1xsk s VAL 410 CO 0.00 0.16 0.07 0.47 0.00 0.00 0.00 175.10 175.81 1xsk n ASP 411 N 1.20 1.83 -3.94 3.32 8.00 0.60 -4.41 116.55 123.16 1xsk n ASP 411 Ca 0.01 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.41 1xsk n ASP 411 Cb 0.42 0.91 -0.06 0.00 -0.02 0.00 0.00 41.12 42.37 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 -3.91 1.11 -0.63 0.00 0.40 -1.25 -2.60 117.98 111.09 1xsk s PHE 413 Ca 0.28 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 56.09 1xsk s PHE 413 Cb 0.01 -0.65 0.16 0.00 0.51 0.00 0.00 43.02 43.05 1xsk s PHE 413 CO 0.11 0.02 0.57 0.21 0.70 0.00 0.00 175.22 176.84 1xsk s LYS 414 N -1.25 3.14 -1.18 0.44 2.20 -0.90 -2.05 119.74 120.14 1xsk s LYS 414 Ca -0.01 -1.99 -0.21 0.00 -0.36 0.00 0.00 55.97 53.40 1xsk s LYS 414 Cb -0.08 -4.29 0.01 0.00 -1.51 0.00 0.00 37.83 31.95 1xsk s LYS 414 CO 0.01 -1.30 1.78 0.95 -0.36 0.00 0.00 175.35 176.43 1xsk s THR 415 N 1.05 3.84 0.78 3.43 -4.23 -0.97 -2.26 115.64 117.28 1xsk s THR 415 Ca 0.09 -1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 59.22 1xsk s THR 415 Cb -0.23 -4.86 0.06 0.00 1.34 0.00 0.00 72.50 68.81 1xsk s THR 415 CO -0.02 -1.58 1.09 -0.62 -0.54 0.00 0.00 174.62 172.95 1xsk s ASP 416 N 5.45 4.64 0.71 3.99 -1.08 -0.61 -2.51 116.67 127.27 1xsk s ASP 416 Ca 0.59 1.42 0.00 0.00 -0.52 0.00 0.00 52.55 54.04 1xsk s ASP 416 Cb 0.01 -2.19 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 1xsk s ASP 416 CO 0.06 -1.89 0.00 0.49 0.52 0.00 0.00 175.17 174.34 1xsk n PHE 417 N -3.40 -0.77 0.00 -5.34 3.01 -1.26 -4.36 117.46 105.35 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 0.55 0.15 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 0.80 0.11 1.37 0.00 -1.26 -4.17 105.19 102.04 1xsk n GLY 418 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1xsk n GLY 418 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xsk h GLU 419 N 2.04 0.03 -4.78 1.61 9.09 -1.90 -3.39 114.58 117.29 1xsk h GLU 419 Ca 0.00 -0.05 -0.57 0.00 0.05 0.00 0.00 59.36 58.79 1xsk h GLU 419 Cb 0.00 0.02 0.02 0.00 -1.65 0.00 0.00 28.75 27.13 1xsk h GLU 419 CO 0.00 1.02 2.02 0.54 0.05 0.00 0.00 179.01 182.64 1xsk n ARG 420 N -4.36 1.68 -3.47 1.06 1.74 -1.26 -4.59 116.66 107.45 1xsk n ARG 420 Ca -0.30 -2.12 -0.40 0.00 -0.77 0.00 0.00 57.85 54.26 1xsk n ARG 420 Cb 0.70 -3.18 -0.10 0.00 -1.02 0.00 0.00 32.46 28.86 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 6.48 5.23 0.62 0.55 -1.09 -1.26 -5.06 121.20 126.67 1xsk s ILE 421 Ca 0.60 -0.03 -0.18 0.00 -2.23 0.00 0.00 60.65 58.81 1xsk s ILE 421 Cb 0.10 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1xsk s ILE 421 CO 0.11 -0.02 1.18 -2.16 -1.23 0.00 0.00 174.94 172.83 1xsk s PRO 422 N 1.87 2.85 -0.07 2.79 0.04 -1.26 -4.77 135.00 136.45 1xsk s PRO 422 Ca 0.09 1.71 0.21 0.00 0.04 0.00 0.00 61.00 63.05 1xsk s PRO 422 Cb -0.17 -1.93 -0.32 0.00 0.04 0.00 0.00 34.50 32.13 1xsk s PRO 422 CO 0.11 -1.28 0.39 0.25 0.04 0.00 0.00 177.00 176.51 1xsk n THR 423 N -1.89 0.35 -1.33 1.26 -2.24 -1.26 -4.62 114.28 104.55 1xsk n THR 423 Ca 0.13 -0.59 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 1xsk n THR 423 Cb 0.50 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 1xsk n THR 423 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xsk n ASP 424 N -2.38 8.44 -3.45 3.42 3.85 -1.26 -4.76 116.55 120.41 1xsk n ASP 424 Ca -0.11 -2.60 -0.18 0.00 -0.71 0.00 0.00 54.79 51.19 1xsk n ASP 424 Cb 0.71 -1.53 -0.08 0.00 -1.35 0.00 0.00 41.12 38.87 1xsk n ASP 424 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1xsk s VAL 425 N 1.84 0.00 -0.17 2.12 -7.23 -1.26 -4.48 120.40 111.21 1xsk s VAL 425 Ca 0.69 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1xsk s VAL 425 Cb 0.19 -2.52 0.05 0.00 0.56 0.00 0.00 36.38 34.66 1xsk s VAL 425 CO -0.06 0.00 -0.00 -1.58 -0.31 0.00 0.00 175.10 173.15 1xsk s GLN 426 N -3.47 0.95 0.45 4.82 0.74 -0.38 -4.71 119.66 118.06 1xsk s GLN 426 Ca 0.39 -0.42 -0.22 0.00 0.05 0.00 0.00 55.36 55.16 1xsk s GLN 426 Cb 0.02 -1.96 -0.09 0.00 1.10 0.00 0.00 33.01 32.09 1xsk s GLN 426 CO 0.24 -0.53 1.04 -1.58 -0.55 0.00 0.00 175.29 173.92 1xsk s TRP 427 N 1.77 3.12 0.39 1.67 0.52 -1.26 -4.18 118.94 120.97 1xsk s TRP 427 Ca -0.00 1.61 0.16 0.00 0.02 0.00 0.00 56.10 57.89 1xsk s TRP 427 Cb -0.16 -3.09 1.04 0.00 -1.15 0.00 0.00 33.47 30.11 1xsk s TRP 427 CO -0.07 -0.73 1.81 0.35 0.02 0.00 0.00 176.95 178.33 1xsk h PHE 428 N 1.99 0.66 -0.41 -1.98 3.57 -1.92 0.07 116.94 118.92 1xsk h PHE 428 Ca -0.49 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1xsk h PHE 428 Cb 1.22 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1xsk h PHE 428 CO 0.57 0.13 0.00 -0.40 -2.23 0.00 0.00 178.31 176.39 1xsk n ASP 429 N -4.58 2.62 -1.70 0.41 5.75 -1.26 -4.93 116.55 112.85 1xsk n ASP 429 Ca 0.22 -1.93 -0.15 0.00 -0.01 0.00 0.00 54.79 52.92 1xsk n ASP 429 Cb 0.74 -0.27 -0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1xsk n ASP 429 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsk n GLY 430 N 1.31 -0.23 3.81 6.12 0.00 0.01 -4.99 105.19 111.22 1xsk n GLY 430 Ca 0.17 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1xsk n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsk s SER 431 N -2.38 5.95 -0.03 1.61 0.01 -1.26 -4.88 113.70 112.72 1xsk s SER 431 Ca 0.02 1.82 -0.30 0.00 1.31 0.00 0.00 55.95 58.79 1xsk s SER 431 Cb -0.01 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 1xsk s SER 431 CO 0.02 -1.05 1.72 -0.62 0.41 0.00 0.00 173.24 173.72 1xsk s ASP 432 N -2.67 6.62 0.39 2.44 -1.08 -0.35 -4.59 116.67 117.43 1xsk s ASP 432 Ca 0.64 2.34 0.10 0.00 -0.52 0.00 0.00 52.55 55.11 1xsk s ASP 432 Cb -0.16 -2.53 0.89 0.00 -1.46 0.00 0.00 42.92 39.66 1xsk s ASP 432 CO 0.33 -0.95 1.95 -0.65 0.52 0.00 0.00 175.17 176.37 1xsk h PRO 433 N 9.76 0.57 -0.32 4.34 0.11 -1.89 -2.05 132.00 142.52 1xsk h PRO 433 Ca -0.42 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1xsk h PRO 433 Cb 1.19 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1xsk h PRO 433 CO 0.95 0.37 -0.02 1.96 -0.21 0.00 0.00 178.00 181.06 1xsk h GLN 434 N 0.58 0.50 0.09 1.05 1.08 -1.90 -2.84 115.11 113.67 1xsk h GLN 434 Ca 0.32 -0.11 -0.28 0.00 -1.45 0.00 0.00 58.65 57.13 1xsk h GLN 434 Cb 0.49 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1xsk h GLN 434 CO -0.11 0.54 -1.43 0.87 -0.95 0.00 0.00 178.83 177.75 1xsk h LYS 435 N 0.47 0.19 0.00 1.46 1.57 -1.69 -3.33 116.57 115.25 1xsk h LYS 435 Ca 0.10 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1xsk h LYS 435 Cb 0.34 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1xsk h LYS 435 CO 0.01 1.04 -0.06 0.52 -0.57 0.00 0.00 179.45 180.40 1xsk h MET 436 N 0.05 0.00 0.09 3.15 2.86 -1.27 -2.88 114.93 116.94 1xsk h MET 436 Ca -0.20 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1xsk h MET 436 Cb 1.97 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.58 1xsk h MET 436 CO 0.15 0.06 -0.50 1.25 1.06 0.00 0.00 176.91 178.93 1xsk h HIS 437 N 0.00 -1.44 0.09 -0.22 -0.00 -1.61 -0.53 115.15 111.44 1xsk h HIS 437 Ca -0.00 0.04 -0.29 0.00 -0.00 0.00 0.00 60.37 60.12 1xsk h HIS 437 Cb 0.36 0.62 0.03 0.00 -0.00 0.00 0.00 27.41 28.41 1xsk h HIS 437 CO 0.00 -0.57 -1.19 -0.91 -0.00 0.00 0.00 177.93 175.26 1xsk h ASN 438 N -0.71 0.87 0.27 3.26 2.35 -1.77 -3.29 115.58 116.55 1xsk h ASN 438 Ca 0.01 -0.77 0.00 0.00 -0.55 0.00 0.00 56.30 54.98 1xsk h ASN 438 Cb 0.73 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1xsk h ASN 438 CO -0.29 1.58 0.00 -0.74 -1.65 0.00 0.00 177.43 176.32 1xsk h HIS 439 N 0.30 0.00 -0.65 1.19 2.76 -1.40 -2.62 115.15 114.73 1xsk h HIS 439 Ca -0.17 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.96 1xsk h HIS 439 Cb 1.86 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.79 1xsk h HIS 439 CO 0.11 0.00 0.24 -0.92 -1.30 0.00 0.00 177.93 176.06 1xsk h TYR 440 N 0.00 0.98 -0.88 5.26 3.20 -1.16 -2.51 116.97 121.86 1xsk h TYR 440 Ca 0.00 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.81 1xsk h TYR 440 Cb 0.13 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 1xsk h TYR 440 CO 0.00 0.76 0.58 0.00 -1.64 0.00 0.00 178.16 177.86 1xsk h ALA 441 N 1.32 1.11 0.20 1.82 0.00 -1.65 -0.97 119.26 121.09 1xsk h ALA 441 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xsk h ALA 441 Cb 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xsk h ALA 441 CO -0.02 0.52 -0.10 -0.92 0.00 0.00 0.00 179.25 178.73 1xsk h TYR 442 N 1.19 -0.25 -0.53 0.00 3.20 -1.65 -1.75 116.97 117.17 1xsk h TYR 442 Ca 0.32 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.24 1xsk h TYR 442 Cb -0.14 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 1xsk h TYR 442 CO -0.01 -0.02 0.25 0.82 -1.64 0.00 0.00 178.16 177.56 1xsk h ILE 443 N -0.46 0.91 0.51 1.81 1.08 -1.28 0.14 117.51 120.23 1xsk h ILE 443 Ca -0.03 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1xsk h ILE 443 Cb 0.35 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1xsk h ILE 443 CO 0.05 0.09 -0.40 0.22 -0.69 0.00 0.00 178.15 177.41 1xsk h TYR 444 N 0.48 -1.10 -0.73 1.37 -0.00 -1.14 -1.83 116.97 114.03 1xsk h TYR 444 Ca 0.24 -0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.98 1xsk h TYR 444 Cb 0.19 0.41 -0.04 0.00 -0.00 0.00 0.00 36.73 37.30 1xsk h TYR 444 CO -0.12 -0.57 0.48 -0.91 -0.00 0.00 0.00 178.16 177.04 1xsk h ASN 445 N -0.89 0.84 -0.78 -2.11 2.35 -1.17 -2.13 115.58 111.69 1xsk h ASN 445 Ca -0.07 -0.03 0.10 0.00 -0.55 0.00 0.00 56.30 55.76 1xsk h ASN 445 Cb 0.74 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 1xsk h ASN 445 CO 0.01 0.62 0.51 -0.08 -1.65 0.00 0.00 177.43 176.84 1xsk h GLU 446 N 0.99 0.66 -0.03 0.81 4.81 -0.64 0.25 114.58 121.42 1xsk h GLU 446 Ca 0.27 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1xsk h GLU 446 Cb -0.10 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1xsk h GLU 446 CO -0.06 0.44 -0.00 1.25 -0.73 0.00 0.00 179.01 179.91 1xsk h LEU 447 N 0.68 0.06 -0.59 1.64 6.46 -0.67 -0.78 115.31 122.11 1xsk h LEU 447 Ca 0.36 -0.34 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1xsk h LEU 447 Cb 0.50 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1xsk h LEU 447 CO -0.14 0.39 0.22 0.58 -0.62 0.00 0.00 178.44 178.87 1xsk h VAL 448 N -0.27 1.23 -0.60 1.05 2.07 -1.00 -2.53 116.25 116.20 1xsk h VAL 448 Ca 0.01 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1xsk h VAL 448 Cb 0.36 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1xsk h VAL 448 CO 0.00 0.28 0.38 -0.25 0.02 0.00 0.00 177.57 178.01 1xsk h TRP 449 N 0.82 0.72 0.00 1.57 2.91 -0.49 -2.02 115.95 119.45 1xsk h TRP 449 Ca 0.19 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.18 1xsk h TRP 449 Cb 0.22 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.63 1xsk h TRP 449 CO 0.01 0.43 -0.24 -0.91 -1.03 0.00 0.00 178.44 176.71 1xsk h ASN 450 N 0.77 0.00 -0.05 2.65 2.35 -0.89 -0.01 115.58 120.40 1xsk h ASN 450 Ca 0.23 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1xsk h ASN 450 Cb -0.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1xsk h ASN 450 CO -0.08 0.24 -0.01 0.58 -1.65 0.00 0.00 177.43 176.51 1xsk h VAL 451 N 0.00 1.28 -0.45 2.81 2.07 -0.96 -1.18 116.25 119.81 1xsk h VAL 451 Ca -0.00 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1xsk h VAL 451 Cb 0.46 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1xsk h VAL 451 CO 0.03 0.24 0.26 -0.07 0.02 0.00 0.00 177.57 178.05 1xsk h LEU 452 N -0.23 0.41 -0.68 2.57 4.07 -1.08 -1.46 115.31 118.91 1xsk h LEU 452 Ca 0.01 0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.06 1xsk h LEU 452 Cb 0.38 -0.08 -0.07 0.00 1.08 0.00 0.00 40.66 41.98 1xsk h LEU 452 CO 0.00 0.29 0.34 0.50 -1.08 0.00 0.00 178.44 178.49 1xsk h LYS 453 N 0.52 0.57 -0.00 1.13 3.64 -0.87 -1.47 116.57 120.09 1xsk h LYS 453 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1xsk h LYS 453 Cb 0.03 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1xsk h LYS 453 CO -0.10 0.38 -0.09 -0.25 -2.27 0.00 0.00 179.45 177.12 1xsk n ASP 454 N -4.86 0.14 0.00 4.20 8.00 -0.46 -3.18 116.55 120.39 1xsk n ASP 454 Ca 0.10 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1xsk n ASP 454 Cb 0.24 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.38 0.00 0.33 -3.53 -2.24 -0.59 -4.78 114.28 102.09 1xsk n THR 455 Ca 0.09 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.02 1xsk n THR 455 Cb 0.31 -0.68 0.61 0.00 -2.10 0.00 0.00 70.33 68.47 1xsk n THR 455 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xsk h VAL 456 N 0.00 0.00 0.00 2.28 -1.51 -1.55 -3.49 116.25 111.98 1xsk h VAL 456 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1xsk h VAL 456 Cb 0.00 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1xsk h VAL 456 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1xsk n GLY 457 N -0.01 2.46 0.32 5.19 0.00 -0.74 -4.50 105.19 107.90 1xsk n GLY 457 Ca 0.01 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.51 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 0.49 -0.21 1.61 4.81 -1.78 -0.45 114.58 119.05 1xsk h GLU 458 Ca 0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1xsk h GLU 458 Cb 0.00 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1xsk h GLU 458 CO 0.00 0.33 0.14 0.93 -0.73 0.00 0.00 179.01 179.68 1xsk h GLU 459 N 0.51 0.24 -0.01 1.92 3.07 -1.92 -2.37 114.58 116.01 1xsk h GLU 459 Ca 0.55 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1xsk h GLU 459 Cb 0.97 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1xsk h GLU 459 CO -0.47 0.16 -0.34 0.39 -1.40 0.00 0.00 179.01 177.35 1xsk n GLU 460 N -4.50 1.22 -2.30 2.33 -0.58 -0.22 -3.81 120.64 112.77 1xsk n GLU 460 Ca 0.01 -0.92 -0.42 0.00 -0.42 0.00 0.00 57.16 55.40 1xsk n GLU 460 Cb 0.11 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.47 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 -2.42 3.56 0.01 0.62 0.00 -0.89 -4.83 121.76 117.81 1xsk s ALA 461 Ca 0.22 0.78 -0.21 0.00 0.00 0.00 0.00 51.96 52.75 1xsk s ALA 461 Cb 0.19 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1xsk s ALA 461 CO 0.52 -0.89 0.47 0.54 0.00 0.00 0.00 175.76 176.40 1xsk s VAL 462 N 2.43 0.04 0.31 0.00 0.11 -1.26 -4.61 120.40 117.42 1xsk s VAL 462 Ca 0.61 -0.30 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 1xsk s VAL 462 Cb -0.29 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.65 1xsk s VAL 462 CO 0.25 -0.17 0.22 -0.76 -3.33 0.00 0.00 175.10 171.31 1xsk s LEU 463 N -1.64 1.67 -0.49 2.54 1.43 -1.16 -3.93 118.68 117.10 1xsk s LEU 463 Ca -0.09 -1.66 0.04 0.00 -1.03 0.00 0.00 54.13 51.39 1xsk s LEU 463 Cb -0.02 0.40 0.17 0.00 0.03 0.00 0.00 46.19 46.77 1xsk s LEU 463 CO 0.02 -0.99 0.37 -0.36 0.23 0.00 0.00 176.35 175.63 1xsk s PHE 464 N -3.56 1.82 -0.08 0.29 0.40 -0.87 -4.39 117.98 111.59 1xsk s PHE 464 Ca 0.38 -2.58 -0.24 0.00 -0.60 0.00 0.00 56.93 53.88 1xsk s PHE 464 Cb 0.03 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 1xsk s PHE 464 CO 0.22 -0.75 0.75 0.00 0.70 0.00 0.00 175.22 176.15 1xsk s ALA 465 N -0.30 3.34 -0.03 5.36 0.00 -0.96 -2.28 121.76 126.90 1xsk s ALA 465 Ca 0.29 0.16 0.12 0.00 0.00 0.00 0.00 51.96 52.54 1xsk s ALA 465 Cb -0.01 -3.05 -0.20 0.00 0.00 0.00 0.00 23.12 19.86 1xsk s ALA 465 CO -0.17 -0.21 0.84 -0.09 0.00 0.00 0.00 175.76 176.14 1xsk h ARG 466 N 6.87 0.00 -6.30 0.00 2.43 -1.73 -0.14 114.38 115.50 1xsk h ARG 466 Ca -0.39 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.16 1xsk h ARG 466 Cb 1.19 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.59 1xsk h ARG 466 CO 0.76 0.56 -0.77 -1.54 -1.51 0.00 0.00 179.97 177.47 1xsk s SER 467 N -6.18 3.58 0.23 -3.80 1.04 -1.26 -4.56 113.70 102.74 1xsk s SER 467 Ca -0.03 -0.98 -0.22 0.00 0.48 0.00 0.00 55.95 55.19 1xsk s SER 467 Cb 0.08 -0.30 0.04 0.00 0.10 0.00 0.00 66.02 65.94 1xsk s SER 467 CO 0.82 0.06 0.76 0.00 0.98 0.00 0.00 173.24 175.86 1xsk s ALA 468 N -2.31 -1.39 0.24 5.32 0.00 -1.23 -4.88 121.76 117.51 1xsk s ALA 468 Ca 0.28 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 1xsk s ALA 468 Cb -0.06 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1xsk s ALA 468 CO 0.14 -0.99 0.41 0.45 0.00 0.00 0.00 175.76 175.77 1xsk s SER 469 N -2.88 -0.05 -0.01 0.00 0.15 -1.26 -3.73 113.70 105.91 1xsk s SER 469 Ca 0.10 -1.01 -0.39 0.00 0.70 0.00 0.00 55.95 55.35 1xsk s SER 469 Cb -0.04 0.55 -0.18 0.00 -1.71 0.00 0.00 66.02 64.64 1xsk s SER 469 CO 0.03 -1.08 1.30 0.52 1.20 0.00 0.00 173.24 175.21 1xsk n VAL 470 N -0.36 0.03 0.00 4.45 0.31 -1.26 -0.74 118.33 120.76 1xsk n VAL 470 Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1xsk n VAL 470 Cb 0.63 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1xsk n VAL 470 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsk n GLY 471 N 2.43 1.11 0.00 2.92 0.00 -1.26 -4.64 105.19 105.74 1xsk n GLY 471 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1xsk n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsk n ALA 472 N -1.27 2.01 0.30 4.61 0.00 0.08 -2.87 120.51 123.37 1xsk n ALA 472 Ca 0.00 -0.08 0.16 0.00 0.00 0.00 0.00 53.44 53.52 1xsk n ALA 472 Cb 0.00 -1.35 0.78 0.00 0.00 0.00 0.00 19.45 18.88 1xsk n ALA 472 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1xsk h GLN 473 N 0.00 0.00 0.00 0.00 -0.00 -1.88 -2.32 115.11 110.92 1xsk h GLN 473 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xsk h GLN 473 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1xsk h GLN 473 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.83 180.46 1xsk n LYS 474 N -2.73 0.17 -3.27 0.06 5.02 -1.14 -3.57 118.16 112.71 1xsk n LYS 474 Ca -0.01 0.39 -0.29 0.00 -2.02 0.00 0.00 58.31 56.39 1xsk n LYS 474 Cb 0.16 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 33.30 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 -2.13 3.54 -0.94 2.13 3.72 -0.87 -3.89 117.46 119.02 1xsk n PHE 475 Ca 0.02 -3.90 -0.31 0.00 -0.05 0.00 0.00 57.45 53.22 1xsk n PHE 475 Cb 0.22 -0.65 -0.00 0.00 -0.94 0.00 0.00 39.48 38.11 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 0.68 0.00 -1.94 -1.08 -0.04 -1.23 -4.74 135.00 126.64 1xsk n PRO 476 Ca 0.30 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.74 1xsk n PRO 476 Cb 0.39 -0.71 -0.02 0.00 -0.04 0.00 0.00 33.50 33.12 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 -0.62 -6.77 -3.96 0.52 3.14 -1.26 -2.99 118.33 106.40 1xsk n VAL 477 Ca 0.09 1.04 -0.35 0.00 -2.96 0.00 0.00 64.34 62.15 1xsk n VAL 477 Cb 0.27 -4.83 -0.08 0.00 -1.06 0.00 0.00 33.84 28.14 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 -0.35 3.37 0.04 1.45 3.76 -1.20 -2.26 115.29 120.10 1xsk s HIS 478 Ca -0.09 0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.93 1xsk s HIS 478 Cb 0.01 -2.02 -0.06 0.00 1.11 0.00 0.00 32.58 31.62 1xsk s HIS 478 CO 0.32 0.38 0.47 -0.46 -0.85 0.00 0.00 174.74 174.60 1xsk s TRP 479 N -0.18 3.74 -2.00 1.40 -0.00 -0.07 -1.50 118.94 120.34 1xsk s TRP 479 Ca 0.09 1.08 0.02 0.00 -0.00 0.00 0.00 56.10 57.29 1xsk s TRP 479 Cb -0.12 -2.36 0.13 0.00 -0.00 0.00 0.00 33.47 31.13 1xsk s TRP 479 CO 0.01 0.60 0.75 0.41 -0.00 0.00 0.00 176.95 178.72 1xsk n GLY 480 N 1.65 -0.64 6.00 5.86 0.00 -0.27 -4.57 105.19 113.21 1xsk n GLY 480 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1xsk n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsk n GLY 481 N 0.16 -1.79 3.50 -0.02 0.00 -1.26 -4.81 105.19 100.96 1xsk n GLY 481 Ca 0.02 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 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 6.31 0.22 1.61 1.01 -1.26 -4.76 116.67 115.81 1xsk s ASP 482 Ca 0.00 -0.49 0.10 0.00 0.71 0.00 0.00 52.55 52.87 1xsk s ASP 482 Cb 0.00 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 1xsk s ASP 482 CO 0.00 -1.00 -0.10 0.00 0.21 0.00 0.00 175.17 174.28 1xsk s TYR 484 N -2.01 3.57 -1.25 0.00 2.02 -1.26 -0.22 117.35 118.20 1xsk s TYR 484 Ca 0.27 0.98 -0.08 0.00 -0.37 0.00 0.00 57.07 57.87 1xsk s TYR 484 Cb -0.07 -2.44 0.19 0.00 -0.40 0.00 0.00 41.96 39.23 1xsk s TYR 484 CO 0.16 -0.38 1.85 0.00 -1.57 0.00 0.00 175.55 175.61 1xsk n ALA 485 N -2.29 5.45 -3.00 3.71 0.00 -0.61 -4.53 120.51 119.24 1xsk n ALA 485 Ca 0.02 -4.39 -0.09 0.00 0.00 0.00 0.00 53.44 48.98 1xsk n ALA 485 Cb 0.55 -2.86 -0.06 0.00 0.00 0.00 0.00 19.45 17.08 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 0.36 -0.08 0.16 0.00 2.20 -1.26 -4.52 114.94 111.80 1xsk s ASN 486 Ca 0.39 -0.80 -0.13 0.00 -0.94 0.00 0.00 52.86 51.39 1xsk s ASN 486 Cb 0.10 0.52 0.05 0.00 -2.00 0.00 0.00 41.25 39.91 1xsk s ASN 486 CO 0.01 -1.01 1.68 1.88 -2.94 0.00 0.00 177.10 176.73 1xsk h TYR 487 N 2.37 0.87 -0.90 1.54 0.05 -1.90 -2.07 116.97 116.93 1xsk h TYR 487 Ca -0.29 -0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.45 1xsk h TYR 487 Cb 1.24 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 38.68 1xsk h TYR 487 CO 0.38 0.75 0.59 0.93 -1.05 0.00 0.00 178.16 179.76 1xsk h GLU 488 N 0.75 1.04 -0.06 4.88 3.07 -1.96 0.25 114.58 122.55 1xsk h GLU 488 Ca 0.17 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.81 1xsk h GLU 488 Cb 0.29 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1xsk h GLU 488 CO -0.00 0.69 -0.67 1.03 -1.40 0.00 0.00 179.01 178.65 1xsk h SER 489 N 1.07 0.32 -0.44 1.42 0.87 -1.79 0.73 113.55 115.73 1xsk h SER 489 Ca 0.38 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1xsk h SER 489 Cb 0.13 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1xsk h SER 489 CO -0.13 0.90 0.23 -0.03 -0.53 0.00 0.00 176.83 177.26 1xsk h MET 490 N 0.19 0.62 -0.44 2.24 -1.53 -0.53 -1.56 114.93 113.92 1xsk h MET 490 Ca -0.02 -0.08 -0.00 0.00 -3.44 0.00 0.00 59.70 56.16 1xsk h MET 490 Cb 1.21 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 32.12 1xsk h MET 490 CO 0.11 0.51 0.27 0.00 0.14 0.00 0.00 176.91 177.93 1xsk h ALA 491 N 1.08 0.56 -0.49 0.39 0.00 -0.71 -2.66 119.26 117.43 1xsk h ALA 491 Ca 0.15 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1xsk h ALA 491 Cb 0.08 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1xsk h ALA 491 CO -0.02 0.04 0.06 0.93 0.00 0.00 0.00 179.25 180.26 1xsk h GLU 492 N 0.58 0.18 -0.77 0.00 5.08 -0.39 -2.42 114.58 116.85 1xsk h GLU 492 Ca 0.16 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1xsk h GLU 492 Cb -0.01 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1xsk h GLU 492 CO -0.03 0.12 0.45 0.77 -1.00 0.00 0.00 179.01 179.32 1xsk h SER 493 N 0.19 0.93 -0.40 1.42 0.02 -1.01 -2.51 113.55 112.19 1xsk h SER 493 Ca 0.24 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1xsk h SER 493 Cb 0.34 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 1xsk h SER 493 CO -0.35 0.74 0.12 0.25 -1.14 0.00 0.00 176.83 176.45 1xsk h LEU 494 N 1.05 0.11 -0.81 5.07 5.85 -1.11 0.13 115.31 125.60 1xsk h LEU 494 Ca 0.27 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.14 1xsk h LEU 494 Cb -0.01 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1xsk h LEU 494 CO -0.05 0.10 0.45 0.03 -0.34 0.00 0.00 178.44 178.63 1xsk h ARG 495 N 0.27 0.74 -0.29 1.25 3.08 -1.14 0.18 114.38 118.48 1xsk h ARG 495 Ca 0.19 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1xsk h ARG 495 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xsk h ARG 495 CO -0.21 0.49 0.10 0.78 -1.07 0.00 0.00 179.97 180.06 1xsk h GLY 496 N 0.76 0.48 1.01 0.04 0.00 -0.81 0.21 103.07 104.75 1xsk h GLY 496 Ca 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1xsk h GLY 496 CO -0.25 0.26 0.41 -1.33 0.00 0.00 0.00 176.54 175.63 1xsk h GLY 497 N 0.31 1.07 0.92 4.60 0.00 0.22 0.87 103.07 111.06 1xsk h GLY 497 Ca 0.09 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1xsk h GLY 497 CO -0.00 0.45 0.11 1.41 0.00 0.00 0.00 176.54 178.50 1xsk h LEU 498 N 0.99 0.51 -0.91 3.11 3.38 -0.46 -2.29 115.31 119.64 1xsk h LEU 498 Ca 0.26 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1xsk h LEU 498 Cb 0.01 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1xsk h LEU 498 CO -0.04 0.59 0.60 0.28 0.09 0.00 0.00 178.44 179.95 1xsk h SER 499 N 0.41 1.00 -0.33 -0.43 0.02 -0.12 -1.27 113.55 112.84 1xsk h SER 499 Ca 0.11 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1xsk h SER 499 Cb 0.26 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1xsk h SER 499 CO -0.00 0.70 -0.11 -0.29 -1.14 0.00 0.00 176.83 175.99 1xsk h ILE 500 N 1.18 1.26 -0.83 3.27 2.10 -0.64 -1.90 117.51 121.94 1xsk h ILE 500 Ca 0.35 -1.16 -0.04 0.00 1.08 0.00 0.00 64.86 65.10 1xsk h ILE 500 Cb -0.05 1.05 -0.04 0.00 -1.09 0.00 0.00 36.82 36.69 1xsk h ILE 500 CO -0.10 0.39 0.36 1.23 -1.08 0.00 0.00 178.15 178.95 1xsk h GLY 501 N 0.97 1.30 0.92 8.18 0.00 -0.80 0.16 103.07 113.81 1xsk h GLY 501 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1xsk h GLY 501 CO 0.04 0.65 0.00 1.04 0.00 0.00 0.00 176.54 178.26 1xsk n LEU 502 N -4.29 0.00 -0.44 3.11 4.77 -0.54 -2.48 117.00 117.13 1xsk n LEU 502 Ca 0.08 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.12 1xsk n LEU 502 Cb 0.17 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.40 1xsk n LEU 502 CO 0.40 0.00 0.61 -1.20 -1.33 0.00 0.00 177.39 175.87 1xsk n SER 503 N -0.96 2.84 0.00 -1.43 7.64 0.02 -4.61 113.62 117.12 1xsk n SER 503 Ca 0.12 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.52 1xsk n SER 503 Cb 0.05 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1xsk n SER 503 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xsk n GLY 504 N -0.38 0.73 3.55 0.23 0.00 -1.04 -4.92 105.19 103.38 1xsk n GLY 504 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.09 3.19 0.06 1.61 0.08 -1.05 -4.71 117.98 115.07 1xsk s PHE 505 Ca 0.00 -0.03 0.11 0.00 0.12 0.00 0.00 56.93 57.14 1xsk s PHE 505 Cb 0.00 -2.36 0.04 0.00 -0.57 0.00 0.00 43.02 40.14 1xsk s PHE 505 CO 0.00 -0.22 1.42 0.78 -0.10 0.00 0.00 175.22 177.10 1xsk h GLY 506 N 8.35 0.00 -5.22 4.36 0.00 -1.86 -3.34 103.07 105.36 1xsk h GLY 506 Ca -0.35 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.47 1xsk h GLY 506 CO 0.56 0.00 -0.82 -1.36 0.00 0.00 0.00 176.54 174.92 1xsk s PHE 507 N -2.99 1.37 -0.02 5.60 0.08 -1.26 -1.92 117.98 118.84 1xsk s PHE 507 Ca 0.02 -0.33 -0.04 0.00 0.12 0.00 0.00 56.93 56.70 1xsk s PHE 507 Cb 0.10 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.63 1xsk s PHE 507 CO 0.77 -0.09 0.09 -0.46 -0.10 0.00 0.00 175.22 175.44 1xsk s TRP 508 N -0.10 -0.01 0.33 0.36 -0.00 -1.26 -3.25 118.94 115.01 1xsk s TRP 508 Ca 0.01 0.03 0.03 0.00 -0.00 0.00 0.00 56.10 56.17 1xsk s TRP 508 Cb -0.08 -0.02 -0.04 0.00 -0.00 0.00 0.00 33.47 33.32 1xsk s TRP 508 CO 0.01 -0.15 0.12 0.45 -0.00 0.00 0.00 176.95 177.38 1xsk s SER 509 N -0.62 2.04 0.35 5.86 0.15 -0.56 -3.37 113.70 117.55 1xsk s SER 509 Ca -0.07 -1.53 -0.16 0.00 0.70 0.00 0.00 55.95 54.88 1xsk s SER 509 Cb -0.04 0.30 0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1xsk s SER 509 CO 0.00 -0.82 0.74 -1.38 1.20 0.00 0.00 173.24 172.98 1xsk s HIS 510 N -3.44 0.10 -0.33 3.44 -3.43 -1.26 -1.12 115.29 109.25 1xsk s HIS 510 Ca 0.33 -0.68 -0.11 0.00 -0.80 0.00 0.00 55.06 53.79 1xsk s HIS 510 Cb 0.05 0.73 -0.01 0.00 -1.43 0.00 0.00 32.58 31.92 1xsk s HIS 510 CO 0.16 -1.44 0.20 -0.51 -2.00 0.00 0.00 174.74 171.15 1xsk s ASP 511 N -3.04 5.84 0.03 7.38 -0.00 -1.26 -3.85 116.67 121.77 1xsk s ASP 511 Ca 0.15 -0.49 -0.31 0.00 -0.00 0.00 0.00 52.55 51.91 1xsk s ASP 511 Cb -0.05 -2.08 -0.10 0.00 -0.00 0.00 0.00 42.92 40.70 1xsk s ASP 511 CO 0.11 -0.22 1.95 -0.38 -0.00 0.00 0.00 175.17 176.62 1xsk n ILE 512 N 5.05 0.71 0.00 0.77 5.41 -0.59 -0.54 119.36 130.18 1xsk n ILE 512 Ca -0.13 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.49 1xsk n ILE 512 Cb 0.49 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 1xsk n ILE 512 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xsk n GLY 513 N 4.51 1.44 0.00 7.39 0.00 -1.26 -4.35 105.19 112.91 1xsk n GLY 513 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1xsk n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsk n GLY 514 N -2.00 -0.60 0.18 -0.02 0.00 0.30 -4.31 105.19 98.75 1xsk n GLY 514 Ca 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 1xsk n GLY 514 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xsk h PHE 515 N 0.00 -0.37 -3.74 1.61 3.04 -1.06 -3.42 116.94 113.00 1xsk h PHE 515 Ca 0.00 -0.01 -0.50 0.00 3.98 0.00 0.00 57.97 61.44 1xsk h PHE 515 Cb 0.00 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 1xsk h PHE 515 CO 0.00 -0.23 0.41 -1.21 -2.02 0.00 0.00 178.31 175.26 1xsk s GLU 516 N -2.84 4.74 0.13 1.11 0.41 0.70 -0.22 118.70 122.72 1xsk s GLU 516 Ca -0.06 1.62 0.00 0.00 -0.41 0.00 0.00 54.97 56.13 1xsk s GLU 516 Cb 0.01 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.10 1xsk s GLU 516 CO 0.17 0.35 0.00 0.09 -0.49 0.00 0.00 175.26 175.38 1xsk n ASN 517 N 1.54 -2.18 -4.17 -0.19 4.13 -1.26 -1.57 115.26 111.57 1xsk n ASN 517 Ca -0.01 0.27 -0.39 0.00 1.68 0.00 0.00 54.58 56.13 1xsk n ASN 517 Cb 0.46 -1.19 -0.10 0.00 -1.54 0.00 0.00 39.78 37.42 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 -2.40 3.80 0.41 3.41 2.01 -1.26 -4.74 115.64 116.87 1xsk s THR 518 Ca 0.00 -1.93 -0.27 0.00 0.31 0.00 0.00 61.69 59.80 1xsk s THR 518 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.87 1xsk s THR 518 CO 0.00 -0.74 1.45 0.00 -0.69 0.00 0.00 174.62 174.64 1xsk n ALA 519 N 4.74 2.16 -1.79 7.40 0.00 -1.26 -4.98 120.51 126.77 1xsk n ALA 519 Ca -0.05 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1xsk n ALA 519 Cb 0.41 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 1xsk n ALA 519 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xsk s PRO 520 N -2.24 3.81 0.16 0.00 0.04 -1.26 -4.77 135.00 130.73 1xsk s PRO 520 Ca 0.57 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1xsk s PRO 520 Cb -0.47 -2.14 0.19 0.00 0.04 0.00 0.00 34.50 32.12 1xsk s PRO 520 CO 0.61 -0.43 1.06 0.00 0.04 0.00 0.00 177.00 178.28 1xsk n ALA 521 N -0.89 -0.05 -0.10 8.56 0.00 -1.26 -1.22 120.51 125.55 1xsk n ALA 521 Ca 0.09 0.69 -0.09 0.00 0.00 0.00 0.00 53.44 54.14 1xsk n ALA 521 Cb 0.52 -0.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 1xsk n ALA 521 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xsk h HIS 522 N 0.00 0.43 -0.82 0.00 2.07 -1.98 -0.09 115.15 114.76 1xsk h HIS 522 Ca 0.25 0.01 0.05 0.00 -2.85 0.00 0.00 60.37 57.83 1xsk h HIS 522 Cb 0.42 -0.14 -0.06 0.00 2.57 0.00 0.00 27.41 30.20 1xsk h HIS 522 CO -0.59 0.27 0.51 0.28 -3.07 0.00 0.00 177.93 175.33 1xsk h VAL 523 N 0.46 1.06 -0.66 6.12 2.07 -1.53 -0.21 116.25 123.56 1xsk h VAL 523 Ca 0.13 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1xsk h VAL 523 Cb -0.05 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 1xsk h VAL 523 CO -0.03 0.17 0.26 0.22 0.02 0.00 0.00 177.57 178.21 1xsk h TYR 524 N 0.95 1.02 -0.21 1.57 3.20 -0.90 -0.44 116.97 122.15 1xsk h TYR 524 Ca 0.35 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 1xsk h TYR 524 Cb 0.12 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1xsk h TYR 524 CO -0.04 0.80 -0.03 0.87 -1.64 0.00 0.00 178.16 178.12 1xsk h LYS 525 N 0.94 0.39 -0.42 1.82 1.57 -0.39 -0.88 116.57 119.60 1xsk h LYS 525 Ca 0.22 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1xsk h LYS 525 Cb 0.22 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1xsk h LYS 525 CO -0.02 0.62 0.23 0.00 -0.57 0.00 0.00 179.45 179.72 1xsk h ARG 526 N 0.13 0.57 -0.06 3.15 2.47 -0.91 -2.27 114.38 117.46 1xsk h ARG 526 Ca 0.06 -0.05 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 1xsk h ARG 526 Cb 0.46 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1xsk h ARG 526 CO 0.02 0.42 -0.75 2.35 0.56 0.00 0.00 179.97 182.57 1xsk h TRP 527 N 0.58 0.50 -0.58 3.04 2.91 -0.83 -2.97 115.95 118.61 1xsk h TRP 527 Ca 0.15 -0.23 0.01 0.00 1.13 0.00 0.00 58.89 59.95 1xsk h TRP 527 Cb 0.02 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.56 1xsk h TRP 527 CO 0.00 0.99 0.38 0.00 -1.03 0.00 0.00 178.44 178.78 1xsk h ALA 529 N 1.22 -0.38 -0.37 0.00 0.00 -1.51 0.45 119.26 118.67 1xsk h ALA 529 Ca 0.22 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1xsk h ALA 529 Cb -0.07 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1xsk h ALA 529 CO -0.05 -0.70 -0.01 0.35 0.00 0.00 0.00 179.25 178.83 1xsk h PHE 530 N -0.39 -0.05 -0.64 0.00 3.57 -1.33 -1.54 116.94 116.56 1xsk h PHE 530 Ca -0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1xsk h PHE 530 Cb 0.30 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1xsk h PHE 530 CO -0.05 -0.09 0.31 0.78 -2.23 0.00 0.00 178.31 177.03 1xsk h GLY 531 N 0.08 0.99 2.00 2.40 0.00 -0.11 -2.01 103.07 106.43 1xsk h GLY 531 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1xsk h GLY 531 CO -0.32 0.47 0.00 1.41 0.00 0.00 0.00 176.54 178.10 1xsk h LEU 532 N 0.88 0.00 -3.77 3.11 -0.00 -0.64 -2.87 115.31 112.02 1xsk h LEU 532 Ca 0.22 0.00 -0.44 0.00 -0.00 0.00 0.00 57.88 57.66 1xsk h LEU 532 Cb 0.12 0.00 -0.26 0.00 -0.00 0.00 0.00 40.66 40.52 1xsk h LEU 532 CO -0.03 0.00 0.55 0.18 -0.00 0.00 0.00 178.44 179.15 1xsk n LEU 533 N -2.47 6.32 -4.45 1.67 4.32 -0.60 -4.77 117.00 117.01 1xsk n LEU 533 Ca 0.03 -3.36 -0.22 0.00 -0.02 0.00 0.00 56.01 52.44 1xsk n LEU 533 Cb 0.32 -0.80 -0.10 0.00 -1.62 0.00 0.00 43.42 41.22 1xsk n LEU 533 CO 0.25 0.97 -0.37 -0.44 -1.22 0.00 0.00 177.39 176.58 1xsk s SER 534 N -1.05 2.97 0.24 -1.43 0.01 -1.08 -4.97 113.70 108.39 1xsk s SER 534 Ca 0.51 -1.19 -0.06 0.00 1.31 0.00 0.00 55.95 56.52 1xsk s SER 534 Cb 0.43 -0.21 0.29 0.00 0.21 0.00 0.00 66.02 66.74 1xsk s SER 534 CO 0.10 -0.31 1.87 0.77 0.41 0.00 0.00 173.24 176.09 1xsk h SER 535 N 2.23 0.91 -3.76 2.44 4.64 -1.86 -3.42 113.55 114.73 1xsk h SER 535 Ca -0.40 -0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.45 1xsk h SER 535 Cb 1.24 -0.20 -0.31 0.00 -0.31 0.00 0.00 62.40 62.82 1xsk h SER 535 CO 0.68 0.62 -0.80 -1.00 -0.87 0.00 0.00 176.83 175.45 1xsk s HIS 536 N -6.09 1.15 -0.05 4.77 3.76 -1.22 -4.74 115.29 112.88 1xsk s HIS 536 Ca -0.13 -0.32 0.06 0.00 -0.15 0.00 0.00 55.06 54.52 1xsk s HIS 536 Cb 0.18 -0.82 -0.01 0.00 1.11 0.00 0.00 32.58 33.03 1xsk s HIS 536 CO 0.79 -0.14 -0.23 -1.12 -0.85 0.00 0.00 174.74 173.20 1xsk s SER 537 N 0.27 2.81 -0.13 1.40 0.01 -1.26 -4.19 113.70 112.61 1xsk s SER 537 Ca -0.05 -0.47 -0.10 0.00 1.31 0.00 0.00 55.95 56.65 1xsk s SER 537 Cb -0.10 -0.74 0.04 0.00 0.21 0.00 0.00 66.02 65.42 1xsk s SER 537 CO 0.01 0.22 0.32 -0.60 0.41 0.00 0.00 173.24 173.61 1xsk s ARG 538 N -0.14 0.34 -0.61 12.44 3.52 -1.25 -1.60 118.95 131.65 1xsk s ARG 538 Ca -0.03 0.52 -0.16 0.00 -0.13 0.00 0.00 55.73 55.93 1xsk s ARG 538 Cb -0.13 0.08 0.14 0.00 -1.56 0.00 0.00 34.95 33.48 1xsk s ARG 538 CO 0.03 -0.09 0.61 -0.51 -0.81 0.00 0.00 175.30 174.53 1xsk s LEU 539 N 0.60 6.05 0.01 -0.88 1.43 0.47 -1.54 118.68 124.83 1xsk s LEU 539 Ca -0.04 -1.85 0.03 0.00 -1.03 0.00 0.00 54.13 51.24 1xsk s LEU 539 Cb -0.05 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 1xsk s LEU 539 CO -0.04 -0.88 -0.09 -2.28 0.23 0.00 0.00 176.35 173.28 1xsk s HIS 540 N 1.68 0.84 0.36 0.29 2.46 -1.26 -1.15 115.29 118.50 1xsk s HIS 540 Ca 0.08 -0.22 0.03 0.00 0.47 0.00 0.00 55.06 55.43 1xsk s HIS 540 Cb -0.25 -0.53 -0.04 0.00 -0.13 0.00 0.00 32.58 31.64 1xsk s HIS 540 CO 0.02 -0.01 0.10 0.20 -2.47 0.00 0.00 174.74 172.58 1xsk s GLY 541 N -0.52 2.31 -0.00 1.59 0.00 -1.26 -4.41 107.32 105.04 1xsk s GLY 541 Ca 0.02 -1.60 -0.00 0.00 0.00 0.00 0.00 44.72 43.14 1xsk s GLY 541 CO 0.00 -1.79 -0.01 -1.26 0.00 0.00 0.00 173.10 170.05 1xsk n SER 542 N -1.00 0.05 -0.44 1.64 2.88 0.69 -1.97 113.62 115.47 1xsk n SER 542 Ca -0.04 0.12 0.10 0.00 -1.33 0.00 0.00 58.87 57.72 1xsk n SER 542 Cb 0.66 -0.51 -0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 -2.44 1.46 -4.18 -1.46 5.02 -1.26 -1.32 118.16 113.97 1xsk n LYS 543 Ca -0.00 -0.93 -0.11 0.00 -2.02 0.00 0.00 58.31 55.25 1xsk n LYS 543 Cb 0.01 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 1xsk n LYS 543 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xsk s SER 544 N -2.18 1.16 0.43 4.39 1.04 -1.26 -4.69 113.70 112.59 1xsk s SER 544 Ca 0.16 -1.04 -0.23 0.00 0.48 0.00 0.00 55.95 55.33 1xsk s SER 544 Cb 0.16 0.10 -0.09 0.00 0.10 0.00 0.00 66.02 66.29 1xsk s SER 544 CO 0.48 -0.48 1.04 -0.31 0.98 0.00 0.00 173.24 174.95 1xsk s TYR 545 N -3.63 3.18 -0.50 5.02 2.02 -1.26 -4.14 117.35 118.04 1xsk s TYR 545 Ca 0.14 1.62 0.03 0.00 -0.37 0.00 0.00 57.07 58.49 1xsk s TYR 545 Cb 0.05 -3.09 0.57 0.00 -0.40 0.00 0.00 41.96 39.10 1xsk s TYR 545 CO -0.03 -0.66 1.89 0.54 -1.57 0.00 0.00 175.55 175.71 1xsk n ARG 546 N -0.39 2.40 -2.96 -0.62 5.12 -1.26 -4.93 116.66 114.02 1xsk n ARG 546 Ca 0.06 -3.16 -0.40 0.00 -1.93 0.00 0.00 57.85 52.42 1xsk n ARG 546 Cb 0.51 -2.18 -0.05 0.00 -1.16 0.00 0.00 32.46 29.57 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 -3.85 4.57 0.12 1.55 -7.23 -1.26 -4.85 120.40 109.45 1xsk s VAL 547 Ca 0.58 1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 62.13 1xsk s VAL 547 Cb 0.48 -4.14 -0.10 0.00 0.56 0.00 0.00 36.38 33.18 1xsk s VAL 547 CO 0.06 0.42 1.58 -0.65 -0.31 0.00 0.00 175.10 176.19 1xsk h PRO 548 N 5.15 -0.60 0.00 4.82 0.11 -1.93 -2.67 132.00 136.87 1xsk h PRO 548 Ca -0.45 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1xsk h PRO 548 Cb 1.21 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1xsk h PRO 548 CO 0.69 -0.40 0.13 -2.67 -0.21 0.00 0.00 178.00 175.54 1xsk n TRP 549 N -5.46 0.00 1.44 0.65 2.14 -1.26 -0.91 117.44 114.04 1xsk n TRP 549 Ca -0.06 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.56 1xsk n TRP 549 Cb 0.38 -0.28 0.19 0.00 -0.81 0.00 0.00 31.31 30.80 1xsk n TRP 549 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xsk n ALA 550 N -1.25 2.50 0.00 -1.67 0.00 -1.01 -4.03 120.51 115.05 1xsk n ALA 550 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1xsk n ALA 550 Cb 0.13 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1xsk n ALA 550 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xsk n TYR 551 N -0.01 0.00 0.00 0.00 4.02 -0.08 -5.06 117.16 116.03 1xsk n TYR 551 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1xsk n TYR 551 Cb 0.18 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1xsk n TYR 551 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1xsk n ASP 552 N -2.56 0.00 -0.23 7.72 5.68 -1.24 -4.88 116.55 121.05 1xsk n ASP 552 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.23 1xsk n ASP 552 Cb 0.37 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.39 1xsk n ASP 552 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1xsk h ASP 553 N 0.00 0.80 -0.94 -1.12 3.32 -1.90 -2.91 116.42 113.68 1xsk h ASP 553 Ca 0.00 -0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.10 1xsk h ASP 553 Cb 0.00 -0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.26 1xsk h ASP 553 CO 0.00 0.64 0.56 -0.08 -1.72 0.00 0.00 179.24 178.65 1xsk h GLU 554 N 0.89 0.84 -0.84 3.56 4.81 -1.96 -1.14 114.58 120.74 1xsk h GLU 554 Ca 0.23 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 1xsk h GLU 554 Cb 0.01 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.14 1xsk h GLU 554 CO -0.04 0.56 0.54 0.77 -0.73 0.00 0.00 179.01 180.11 1xsk h SER 555 N 0.87 0.74 -0.46 1.04 0.02 -1.81 0.68 113.55 114.63 1xsk h SER 555 Ca 0.48 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.31 1xsk h SER 555 Cb 0.53 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1xsk h SER 555 CO -0.29 0.45 -0.23 0.00 -1.14 0.00 0.00 176.83 175.62 1xsk h ASP 557 N 0.84 0.15 -0.26 0.00 3.32 -0.45 0.25 116.42 120.27 1xsk h ASP 557 Ca 0.11 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.03 1xsk h ASP 557 Cb 0.80 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.26 1xsk h ASP 557 CO 0.07 0.29 -0.04 0.58 -1.72 0.00 0.00 179.24 178.42 1xsk h VAL 558 N 0.00 0.77 -0.58 -1.35 2.07 0.42 0.73 116.25 118.31 1xsk h VAL 558 Ca 0.04 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1xsk h VAL 558 Cb 0.19 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1xsk h VAL 558 CO -0.00 0.01 0.16 0.58 0.02 0.00 0.00 177.57 178.34 1xsk h VAL 559 N 0.03 1.24 -0.02 2.57 2.07 -0.75 -1.28 116.25 120.11 1xsk h VAL 559 Ca 0.12 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1xsk h VAL 559 Cb 0.18 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1xsk h VAL 559 CO -0.24 0.32 0.01 -0.09 0.02 0.00 0.00 177.57 177.58 1xsk h ARG 560 N 0.82 0.03 -0.20 1.57 2.43 0.24 -1.21 114.38 118.05 1xsk h ARG 560 Ca 0.18 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1xsk h ARG 560 Cb 0.31 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1xsk h ARG 560 CO -0.00 0.05 0.09 0.35 -1.51 0.00 0.00 179.97 178.94 1xsk h PHE 561 N -0.00 0.16 0.00 2.20 3.04 0.65 -2.10 116.94 120.89 1xsk h PHE 561 Ca 0.01 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 1xsk h PHE 561 Cb 0.03 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.50 1xsk h PHE 561 CO -0.07 0.08 -0.13 0.74 -2.02 0.00 0.00 178.31 176.92 1xsk h PHE 562 N 0.19 0.00 -0.03 0.41 0.04 -1.22 -2.38 116.94 113.95 1xsk h PHE 562 Ca 0.09 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.63 1xsk h PHE 562 Cb 0.04 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.19 1xsk h PHE 562 CO -0.10 0.13 -0.91 1.15 -0.60 0.00 0.00 178.31 177.97 1xsk h THR 563 N 0.00 1.35 -0.41 -1.55 2.02 -1.08 -2.21 112.91 111.03 1xsk h THR 563 Ca -0.00 -2.29 -0.07 0.00 0.77 0.00 0.00 66.41 64.82 1xsk h THR 563 Cb 1.08 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.78 1xsk h THR 563 CO 0.02 0.70 -0.03 1.56 0.37 0.00 0.00 175.52 178.13 1xsk h GLN 564 N 0.32 0.74 0.35 6.66 4.20 -1.36 -2.58 115.11 123.44 1xsk h GLN 564 Ca -0.08 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 1xsk h GLN 564 Cb 1.54 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.26 1xsk h GLN 564 CO 0.17 0.84 -0.21 1.25 -0.67 0.00 0.00 178.83 180.21 1xsk h LEU 565 N 0.57 -0.53 -0.97 1.46 5.85 -1.41 -2.02 115.31 118.26 1xsk h LEU 565 Ca 0.11 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.02 1xsk h LEU 565 Cb 0.53 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.62 1xsk h LEU 565 CO 0.03 -0.34 0.57 0.50 -0.34 0.00 0.00 178.44 178.86 1xsk h LYS 566 N -0.54 0.77 -0.39 1.25 3.64 -1.38 0.59 116.57 120.52 1xsk h LYS 566 Ca -0.04 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1xsk h LYS 566 Cb 0.44 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1xsk h LYS 566 CO 0.04 0.51 -0.08 0.00 -2.27 0.00 0.00 179.45 177.65 1xsk h ARG 568 N 0.61 0.20 0.00 0.00 3.08 -0.24 -2.86 114.38 115.17 1xsk h ARG 568 Ca 0.11 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1xsk h ARG 568 Cb 0.51 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1xsk h ARG 568 CO 0.03 0.71 0.00 -1.33 -1.07 0.00 0.00 179.97 178.31 1xsk n MET 569 N -3.90 0.67 0.07 0.04 2.81 -0.13 -0.03 117.12 116.66 1xsk n MET 569 Ca -0.02 0.01 0.13 0.00 -1.81 0.00 0.00 57.70 56.01 1xsk n MET 569 Cb 0.59 -1.50 0.60 0.00 -0.71 0.00 0.00 33.22 32.20 1xsk n MET 569 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xsk h MET 570 N 0.00 0.14 -0.36 0.03 2.86 -1.25 0.44 114.93 116.79 1xsk h MET 570 Ca 0.00 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1xsk h MET 570 Cb 0.10 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1xsk h MET 570 CO 0.00 0.09 -0.01 -1.35 1.06 0.00 0.00 176.91 176.70 1xsk h PRO 571 N 0.15 0.57 0.00 -0.22 0.11 -1.77 -1.54 132.00 129.31 1xsk h PRO 571 Ca 0.16 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1xsk h PRO 571 Cb 0.45 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1xsk h PRO 571 CO -0.02 0.61 -0.09 -0.92 -0.21 0.00 0.00 178.00 177.36 1xsk h TYR 572 N 0.54 0.00 0.01 0.65 3.20 -1.20 -3.33 116.97 116.85 1xsk h TYR 572 Ca 0.11 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1xsk h TYR 572 Cb 0.37 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 1xsk h TYR 572 CO 0.01 0.84 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.86 1xsk h LEU 573 N -1.00 -1.35 -2.81 2.82 4.07 -0.15 -2.22 115.31 114.68 1xsk h LEU 573 Ca -0.02 0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 1xsk h LEU 573 Cb 0.84 0.52 -0.00 0.00 1.08 0.00 0.00 40.66 43.10 1xsk h LEU 573 CO -0.01 -0.48 -0.00 0.22 -1.08 0.00 0.00 178.44 177.09 1xsk h TYR 574 N -0.60 0.00 0.06 1.13 3.20 -1.48 0.06 116.97 119.33 1xsk h TYR 574 Ca 0.04 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.64 1xsk h TYR 574 Cb 0.67 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.96 1xsk h TYR 574 CO -0.44 0.00 -1.12 -0.09 -1.64 0.00 0.00 178.16 174.87 1xsk h ARG 575 N 0.00 0.56 0.00 1.82 9.65 -1.52 -2.59 114.38 122.30 1xsk h ARG 575 Ca -0.00 -0.68 -0.05 0.00 -1.10 0.00 0.00 59.98 58.15 1xsk h ARG 575 Cb 0.06 0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1xsk h ARG 575 CO 0.00 1.28 -0.22 0.93 2.80 0.00 0.00 179.97 184.76 1xsk h GLU 576 N 0.27 0.00 -0.23 0.20 4.39 -0.61 -2.68 114.58 115.92 1xsk h GLU 576 Ca -0.14 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 1xsk h GLU 576 Cb 1.79 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.44 1xsk h GLU 576 CO 0.21 0.22 -0.34 0.00 -1.16 0.00 0.00 179.01 177.94 1xsk h ALA 577 N 1.78 0.35 0.00 3.43 0.00 -1.06 -2.63 119.26 121.13 1xsk h ALA 577 Ca -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1xsk h ALA 577 Cb 0.61 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xsk h ALA 577 CO 0.03 0.40 -0.08 0.00 0.00 0.00 0.00 179.25 179.60 1xsk h ALA 578 N 0.64 1.28 -0.40 0.00 0.00 -1.14 -1.56 119.26 118.07 1xsk h ALA 578 Ca 0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1xsk h ALA 578 Cb 0.93 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xsk h ALA 578 CO 0.08 0.10 -0.21 0.00 0.00 0.00 0.00 179.25 179.22 1xsk h ARG 579 N 0.00 0.85 -0.77 0.00 3.08 -1.21 -1.33 114.38 114.99 1xsk h ARG 579 Ca -0.00 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 1xsk h ARG 579 Cb 0.26 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1xsk h ARG 579 CO 0.01 1.02 0.41 0.00 -1.07 0.00 0.00 179.97 180.34 1xsk h ALA 580 N 0.81 0.99 -0.10 0.04 0.00 -1.08 0.77 119.26 120.69 1xsk h ALA 580 Ca 0.09 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1xsk h ALA 580 Cb 0.77 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xsk h ALA 580 CO 0.06 0.52 -0.31 -0.97 0.00 0.00 0.00 179.25 178.55 1xsk h ASN 581 N 1.07 0.19 0.22 0.00 -0.73 -1.25 0.13 115.58 115.21 1xsk h ASN 581 Ca 0.27 -0.06 -0.34 0.00 1.87 0.00 0.00 56.30 58.04 1xsk h ASN 581 Cb 0.06 -0.05 -0.06 0.00 0.27 0.00 0.00 38.32 38.54 1xsk h ASN 581 CO -0.04 0.50 -2.07 0.00 -0.37 0.00 0.00 177.43 175.45 1xsk n ALA 582 N -2.48 1.43 -0.26 1.57 0.00 -0.52 -4.56 120.51 115.70 1xsk n ALA 582 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1xsk n ALA 582 Cb 0.40 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1xsk n ALA 582 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsk n ARG 583 N -2.99 0.22 -1.00 0.00 1.74 0.24 -5.01 116.66 109.86 1xsk n ARG 583 Ca -0.27 -0.29 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 1xsk n ARG 583 Cb 1.09 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 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 0.11 0.49 3.63 -0.13 0.00 0.45 -3.04 105.19 106.71 1xsk n GLY 584 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xsk n GLY 584 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsk s THR 585 N -1.99 4.26 0.66 2.61 2.01 -1.24 -4.77 115.64 117.17 1xsk s THR 585 Ca 0.00 1.40 -0.17 0.00 0.31 0.00 0.00 61.69 63.23 1xsk s THR 585 Cb 0.00 -4.33 -0.00 0.00 0.01 0.00 0.00 72.50 68.18 1xsk s THR 585 CO 0.00 -0.59 1.21 -2.16 -0.69 0.00 0.00 174.62 172.39 1xsk s PRO 586 N 4.10 2.58 0.20 4.92 0.04 -1.26 -2.92 135.00 142.66 1xsk s PRO 586 Ca 0.52 1.81 -0.05 0.00 0.04 0.00 0.00 61.00 63.31 1xsk s PRO 586 Cb -0.13 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.67 1xsk s PRO 586 CO 0.23 -1.51 1.60 0.52 0.04 0.00 0.00 177.00 177.88 1xsk h MET 587 N 0.33 0.80 -4.71 4.56 2.86 -1.68 -3.38 114.93 113.70 1xsk h MET 587 Ca -0.49 -0.34 -0.71 0.00 -2.06 0.00 0.00 59.70 56.10 1xsk h MET 587 Cb 1.30 -0.03 -0.20 0.00 0.06 0.00 0.00 31.60 32.74 1xsk h MET 587 CO 0.53 0.97 -0.23 1.41 1.06 0.00 0.00 176.91 180.65 1xsk s MET 588 N -4.56 3.06 -0.02 1.72 -2.45 -1.26 -0.96 119.30 114.83 1xsk s MET 588 Ca -0.09 -0.94 0.03 0.00 -1.25 0.00 0.00 55.69 53.44 1xsk s MET 588 Cb 0.13 -4.02 -0.03 0.00 1.25 0.00 0.00 34.83 32.15 1xsk s MET 588 CO 0.84 -0.93 -0.08 1.03 1.05 0.00 0.00 175.02 176.93 1xsk s ARG 589 N 2.05 2.56 0.40 4.11 0.52 0.08 -4.78 118.95 123.88 1xsk s ARG 589 Ca 0.10 -0.70 -0.25 0.00 -0.52 0.00 0.00 55.73 54.37 1xsk s ARG 589 Cb -0.19 -2.48 -0.09 0.00 0.52 0.00 0.00 34.95 32.71 1xsk s ARG 589 CO 0.11 0.62 1.10 0.00 0.02 0.00 0.00 175.30 177.15 1xsk s ALA 590 N -0.92 3.11 0.25 2.13 0.00 -1.26 -0.80 121.76 124.27 1xsk s ALA 590 Ca 0.15 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 52.90 1xsk s ALA 590 Cb -0.11 -3.32 0.48 0.00 0.00 0.00 0.00 23.12 20.17 1xsk s ALA 590 CO 0.05 -0.36 1.73 0.52 0.00 0.00 0.00 175.76 177.71 1xsk h MET 591 N 2.58 0.46 -0.08 0.00 0.00 -1.82 0.27 114.93 116.35 1xsk h MET 591 Ca -0.48 -0.03 0.02 0.00 0.00 0.00 0.00 59.70 59.21 1xsk h MET 591 Cb 1.22 -0.10 -0.00 0.00 0.00 0.00 0.00 31.60 32.72 1xsk h MET 591 CO 0.62 0.30 0.10 0.00 0.00 0.00 0.00 176.91 177.93 1xsk h MET 592 N 0.47 0.00 0.01 1.72 -0.00 -1.81 0.20 114.93 115.51 1xsk h MET 592 Ca 0.42 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.90 1xsk h MET 592 Cb 0.64 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.21 1xsk h MET 592 CO -0.40 0.00 -1.13 1.98 -0.00 0.00 0.00 176.91 177.36 1xsk h MET 593 N 0.00 0.02 0.04 -0.10 1.85 -0.81 -2.98 114.93 112.94 1xsk h MET 593 Ca 0.04 -0.03 -0.31 0.00 -0.61 0.00 0.00 59.70 58.79 1xsk h MET 593 Cb 0.23 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.23 1xsk h MET 593 CO -0.00 0.93 -1.73 1.49 -0.40 0.00 0.00 176.91 177.20 1xsk h GLU 594 N 0.00 0.08 -2.14 0.39 4.57 -0.80 -3.41 114.58 113.27 1xsk h GLU 594 Ca -0.06 -0.14 -0.58 0.00 -1.18 0.00 0.00 59.36 57.40 1xsk h GLU 594 Cb 1.82 0.05 -0.41 0.00 -0.16 0.00 0.00 28.75 30.05 1xsk h GLU 594 CO 0.13 0.73 -0.75 1.19 -1.18 0.00 0.00 179.01 179.13 1xsk n PHE 595 N -3.19 2.54 0.26 0.92 3.01 0.55 -4.95 117.46 116.60 1xsk n PHE 595 Ca -0.20 -3.98 0.16 0.00 1.01 0.00 0.00 57.45 54.44 1xsk n PHE 595 Cb 1.05 -0.49 0.85 0.00 -0.01 0.00 0.00 39.48 40.87 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 3.98 0.00 -0.01 -1.08 0.13 -1.74 -2.44 132.00 130.85 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 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1xsk h PRO 596 CO 0.73 0.00 -0.50 -0.25 -0.23 0.00 0.00 178.00 177.75 1xsk n ASP 597 N -2.67 1.78 -4.53 1.44 8.00 -1.26 -4.86 116.55 114.45 1xsk n ASP 597 Ca -0.02 -1.39 -0.43 0.00 0.71 0.00 0.00 54.79 53.66 1xsk n ASP 597 Cb 0.15 0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 41.76 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 -2.37 6.34 0.00 -2.24 -1.08 -0.92 -4.89 116.67 111.51 1xsk s ASP 598 Ca 0.16 -0.33 0.00 0.00 -0.52 0.00 0.00 52.55 51.85 1xsk s ASP 598 Cb 0.16 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1xsk s ASP 598 CO 0.56 -1.30 0.72 -0.81 0.52 0.00 0.00 175.17 174.86 1xsk n PRO 599 N 7.67 0.00 0.00 4.34 -0.04 -1.26 -0.89 135.00 144.83 1xsk n PRO 599 Ca 0.02 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 1xsk n PRO 599 Cb 0.48 -1.52 0.10 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.22 3.86 0.58 0.55 0.00 -1.26 -4.22 120.51 118.80 1xsk n ALA 600 Ca 0.00 -0.51 0.12 0.00 0.00 0.00 0.00 53.44 53.05 1xsk n ALA 600 Cb 0.02 -0.94 0.20 0.00 0.00 0.00 0.00 19.45 18.73 1xsk n ALA 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsk h ASP 602 N 4.36 -0.59 -0.60 0.00 3.32 -1.73 -3.17 116.42 118.00 1xsk h ASP 602 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xsk h ASP 602 Cb 0.95 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1xsk h ASP 602 CO 0.00 -0.35 0.00 -1.22 -1.72 0.00 0.00 179.24 175.95 1xsk n TYR 603 N -5.35 1.98 -2.35 4.55 4.01 -1.26 -4.84 117.16 113.90 1xsk n TYR 603 Ca -0.09 -0.70 -0.43 0.00 -0.16 0.00 0.00 57.90 56.52 1xsk n TYR 603 Cb 0.26 -0.46 -0.02 0.00 -0.31 0.00 0.00 39.34 38.81 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 -2.57 3.94 0.00 7.72 1.43 -1.22 -4.83 118.68 123.14 1xsk s LEU 604 Ca 0.54 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1xsk s LEU 604 Cb 0.40 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 43.08 1xsk s LEU 604 CO 0.18 -1.07 0.10 -0.90 0.23 0.00 0.00 176.35 174.89 1xsk n ASP 605 N 7.65 0.20 -1.29 2.29 3.85 -1.26 -4.55 116.55 123.43 1xsk n ASP 605 Ca 0.16 -0.53 0.12 0.00 -0.71 0.00 0.00 54.79 53.82 1xsk n ASP 605 Cb 0.46 0.42 0.29 0.00 -1.35 0.00 0.00 41.12 40.94 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 -0.42 2.67 -3.96 0.11 1.74 -1.26 -4.54 116.66 111.01 1xsk n ARG 606 Ca 0.00 -2.56 -0.09 0.00 -0.77 0.00 0.00 57.85 54.42 1xsk n ARG 606 Cb 0.03 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 29.86 1xsk n ARG 606 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1xsk s GLN 607 N -1.12 1.40 0.11 5.56 -2.07 -1.26 -3.95 119.66 118.32 1xsk s GLN 607 Ca 0.46 -1.19 -0.26 0.00 -1.82 0.00 0.00 55.36 52.55 1xsk s GLN 607 Cb 0.25 0.44 0.07 0.00 -1.09 0.00 0.00 33.01 32.68 1xsk s GLN 607 CO 0.33 -0.56 0.86 1.52 -1.32 0.00 0.00 175.29 176.11 1xsk s TYR 608 N -3.99 -0.27 -0.27 9.60 -0.85 -0.53 -4.62 117.35 116.42 1xsk s TYR 608 Ca 0.20 0.02 -0.13 0.00 -0.52 0.00 0.00 57.07 56.64 1xsk s TYR 608 Cb 0.01 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 1xsk s TYR 608 CO 0.05 -0.77 0.28 -1.64 -1.52 0.00 0.00 175.55 171.95 1xsk s MET 609 N -3.35 3.98 -0.72 -3.49 -1.94 0.02 -0.87 119.30 112.93 1xsk s MET 609 Ca 0.08 -0.14 -0.20 0.00 -1.71 0.00 0.00 55.69 53.72 1xsk s MET 609 Cb -0.02 -3.66 0.11 0.00 2.01 0.00 0.00 34.83 33.27 1xsk s MET 609 CO -0.03 -0.23 0.91 -1.17 -0.01 0.00 0.00 175.02 174.49 1xsk s LEU 610 N 1.91 5.07 0.00 -0.03 2.96 0.13 -0.74 118.68 127.97 1xsk s LEU 610 Ca 0.11 -1.54 0.00 0.00 -0.22 0.00 0.00 54.13 52.47 1xsk s LEU 610 Cb -0.16 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.17 1xsk s LEU 610 CO 0.10 -1.17 0.00 0.61 -1.32 0.00 0.00 176.35 174.57 1xsk n GLY 611 N 5.27 -2.06 0.27 7.98 0.00 -0.14 -3.63 105.19 112.88 1xsk n GLY 611 Ca 0.03 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 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 0.85 -0.01 1.61 3.32 -1.90 -3.39 116.42 116.89 1xsk h ASP 612 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 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 1.05 -0.15 0.59 -1.72 0.00 0.00 179.24 179.01 1xsk n ASN 613 N -4.10 1.83 -4.11 6.45 3.02 -1.26 -4.97 115.26 112.11 1xsk n ASN 613 Ca -0.00 -1.41 -0.26 0.00 -0.03 0.00 0.00 54.58 52.88 1xsk n ASN 613 Cb 0.45 0.24 -0.16 0.00 -0.61 0.00 0.00 39.78 39.70 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 -1.46 1.40 -0.21 2.41 0.11 -1.24 -1.71 120.40 119.70 1xsk s VAL 614 Ca 0.14 -0.67 -0.08 0.00 -2.93 0.00 0.00 61.98 58.44 1xsk s VAL 614 Cb 0.12 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1xsk s VAL 614 CO 0.27 0.41 0.08 -0.32 -3.33 0.00 0.00 175.10 172.20 1xsk s MET 615 N 0.25 3.86 -0.06 1.54 1.75 0.17 0.20 119.30 127.01 1xsk s MET 615 Ca -0.08 -0.39 0.05 0.00 -1.25 0.00 0.00 55.69 54.02 1xsk s MET 615 Cb -0.13 -3.29 -0.01 0.00 2.84 0.00 0.00 34.83 34.24 1xsk s MET 615 CO 0.03 0.08 -0.22 0.54 -0.65 0.00 0.00 175.02 174.80 1xsk s VAL 616 N 0.91 1.82 -0.41 10.11 0.11 -0.04 -1.29 120.40 131.60 1xsk s VAL 616 Ca 0.04 -0.92 0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1xsk s VAL 616 Cb -0.14 -1.55 0.12 0.00 -1.53 0.00 0.00 36.38 33.28 1xsk s VAL 616 CO 0.03 0.51 0.15 0.00 -3.33 0.00 0.00 175.10 172.46 1xsk s ALA 617 N 0.04 2.75 0.66 1.54 0.00 -0.69 -1.45 121.76 124.61 1xsk s ALA 617 Ca -0.07 -2.68 -0.17 0.00 0.00 0.00 0.00 51.96 49.03 1xsk s ALA 617 Cb -0.14 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1xsk s ALA 617 CO 0.04 -1.85 0.82 -2.30 0.00 0.00 0.00 175.76 172.47 1xsk n PRO 618 N 3.84 0.60 -3.49 0.00 -0.02 -1.25 -3.97 135.00 130.70 1xsk n PRO 618 Ca 0.04 0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 61.39 1xsk n PRO 618 Cb 0.37 -2.06 -0.09 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.71 5.25 -0.27 -1.45 1.01 -1.26 -4.98 120.40 116.99 1xsk s VAL 619 Ca 0.72 0.47 0.12 0.00 0.00 0.00 0.00 61.98 63.29 1xsk s VAL 619 Cb -0.38 -3.63 0.63 0.00 0.00 0.00 0.00 36.38 33.00 1xsk s VAL 619 CO 0.51 0.25 1.62 0.49 0.00 0.00 0.00 175.10 177.98 1xsk n PHE 620 N 4.69 1.72 -4.22 5.22 3.72 -1.26 -4.83 117.46 122.50 1xsk n PHE 620 Ca -0.11 -1.19 -0.13 0.00 -0.05 0.00 0.00 57.45 55.98 1xsk n PHE 620 Cb 0.51 -0.54 -0.10 0.00 -0.94 0.00 0.00 39.48 38.42 1xsk n PHE 620 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1xsk s THR 621 N -3.00 0.55 -0.09 4.37 -4.23 -1.26 -4.90 115.64 107.08 1xsk s THR 621 Ca 0.49 -1.97 -0.22 0.00 -1.18 0.00 0.00 61.69 58.82 1xsk s THR 621 Cb 0.40 -2.13 -0.29 0.00 1.34 0.00 0.00 72.50 71.83 1xsk s THR 621 CO 0.09 -0.45 0.75 -0.08 -0.54 0.00 0.00 174.62 174.39 1xsk h GLU 622 N 2.72 0.21 0.00 3.99 4.81 -1.93 -3.26 114.58 121.12 1xsk h GLU 622 Ca -0.36 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 1xsk h GLU 622 Cb 1.20 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1xsk h GLU 622 CO 0.62 1.17 0.07 0.00 -0.73 0.00 0.00 179.01 180.14 1xsk h ALA 623 N -0.00 1.05 0.00 2.92 0.00 -1.97 -3.45 119.26 117.81 1xsk h ALA 623 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xsk h ALA 623 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1xsk h ALA 623 CO 0.08 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1xsk n GLY 624 N -1.26 0.81 3.77 0.00 0.00 -1.23 -4.54 105.19 102.74 1xsk n GLY 624 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.97 6.48 -0.10 1.61 1.01 -1.26 -1.57 116.67 119.87 1xsk s ASP 625 Ca 0.00 2.91 -0.27 0.00 0.71 0.00 0.00 52.55 55.90 1xsk s ASP 625 Cb 0.00 -2.65 0.06 0.00 1.01 0.00 0.00 42.92 41.34 1xsk s ASP 625 CO 0.00 -0.78 0.64 0.54 0.21 0.00 0.00 175.17 175.78 1xsk s VAL 626 N -0.87 0.01 -0.01 -1.27 0.11 -0.57 -4.36 120.40 113.44 1xsk s VAL 626 Ca 0.54 -0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.59 1xsk s VAL 626 Cb -0.45 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.45 1xsk s VAL 626 CO 0.57 -0.03 -0.17 -1.10 -3.33 0.00 0.00 175.10 171.04 1xsk s GLN 627 N -0.77 1.40 0.08 1.54 -0.21 -1.26 -1.64 119.66 118.81 1xsk s GLN 627 Ca -0.08 -0.64 -0.15 0.00 0.02 0.00 0.00 55.36 54.51 1xsk s GLN 627 Cb -0.02 -1.36 0.03 0.00 1.00 0.00 0.00 33.01 32.66 1xsk s GLN 627 CO 0.07 0.37 0.35 -0.59 -2.12 0.00 0.00 175.29 173.37 1xsk s PHE 628 N -0.44 -0.14 -0.03 0.91 -0.12 -0.73 -4.99 117.98 112.45 1xsk s PHE 628 Ca 0.07 -0.09 -0.00 0.00 -0.05 0.00 0.00 56.93 56.85 1xsk s PHE 628 Cb -0.07 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 1xsk s PHE 628 CO -0.00 -0.60 0.03 -0.47 -0.05 0.00 0.00 175.22 174.13 1xsk s TYR 629 N -3.21 3.19 -0.09 3.49 5.04 -1.26 -0.31 117.35 124.20 1xsk s TYR 629 Ca -0.01 0.17 0.04 0.00 -2.44 0.00 0.00 57.07 54.84 1xsk s TYR 629 Cb 0.01 -1.74 -0.00 0.00 0.35 0.00 0.00 41.96 40.58 1xsk s TYR 629 CO -0.08 0.50 -0.23 -0.51 -1.34 0.00 0.00 175.55 173.90 1xsk s LEU 630 N -1.39 2.15 1.14 6.97 1.02 -0.56 -4.99 118.68 123.02 1xsk s LEU 630 Ca 0.19 -0.52 -0.19 0.00 0.02 0.00 0.00 54.13 53.62 1xsk s LEU 630 Cb -0.12 -1.42 0.27 0.00 0.02 0.00 0.00 46.19 44.94 1xsk s LEU 630 CO 0.09 0.18 1.19 -2.84 0.02 0.00 0.00 176.35 174.99 1xsk s PRO 631 N 0.23 -0.78 0.26 1.29 0.02 -1.26 0.92 135.00 135.68 1xsk s PRO 631 Ca -0.15 -0.25 -0.30 0.00 0.02 0.00 0.00 61.00 60.32 1xsk s PRO 631 Cb -0.17 -1.67 -0.14 0.00 0.02 0.00 0.00 34.50 32.55 1xsk s PRO 631 CO 0.08 -3.39 1.24 -1.91 -0.33 0.00 0.00 177.00 172.69 1xsk n GLU 632 N -4.49 1.72 0.00 5.54 2.13 -1.26 -1.50 120.64 122.79 1xsk n GLU 632 Ca 0.15 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1xsk n GLU 632 Cb 0.60 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.15 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 1.62 1.96 3.52 8.31 0.00 -1.26 -4.80 105.19 114.54 1xsk n GLY 633 Ca 0.10 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.61 3.75 0.11 1.61 3.52 -1.26 0.17 118.95 125.24 1xsk s ARG 634 Ca 0.00 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.14 1xsk s ARG 634 Cb 0.00 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1xsk s ARG 634 CO 0.00 -0.23 0.30 -1.58 -0.81 0.00 0.00 175.30 172.98 1xsk s TRP 635 N 1.69 3.50 -0.08 5.12 0.52 0.10 -3.47 118.94 126.32 1xsk s TRP 635 Ca 0.06 0.39 0.02 0.00 0.02 0.00 0.00 56.10 56.59 1xsk s TRP 635 Cb -0.16 -1.87 0.01 0.00 -1.15 0.00 0.00 33.47 30.31 1xsk s TRP 635 CO 0.08 0.50 -0.12 0.99 0.02 0.00 0.00 176.95 178.42 1xsk s THR 636 N -1.61 1.21 0.13 2.01 2.01 -0.92 -0.31 115.64 118.16 1xsk s THR 636 Ca 0.38 -0.49 -0.31 0.00 0.31 0.00 0.00 61.69 61.57 1xsk s THR 636 Cb -0.12 -1.12 -0.10 0.00 0.01 0.00 0.00 72.50 71.16 1xsk s THR 636 CO 0.27 0.38 1.69 -2.28 -0.69 0.00 0.00 174.62 173.99 1xsk s HIS 637 N 0.88 2.59 0.57 4.92 2.46 -0.13 -1.02 115.29 125.56 1xsk s HIS 637 Ca -0.10 0.30 0.36 0.00 0.47 0.00 0.00 55.06 56.10 1xsk s HIS 637 Cb -0.15 -4.05 1.46 0.00 -0.13 0.00 0.00 32.58 29.71 1xsk s HIS 637 CO 0.01 -4.11 1.68 1.25 -2.47 0.00 0.00 174.74 171.09 1xsk h LEU 638 N 7.84 0.00 0.00 8.88 5.85 -1.39 -2.07 115.31 134.41 1xsk h LEU 638 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1xsk h LEU 638 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1xsk h LEU 638 CO 0.94 0.00 0.00 -2.67 -0.34 0.00 0.00 178.44 176.37 1xsk n TRP 639 N -3.86 0.00 0.10 1.25 2.14 -1.26 -4.78 117.44 111.03 1xsk n TRP 639 Ca 0.26 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.93 1xsk n TRP 639 Cb 1.36 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 31.85 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 -1.93 -3.48 115.15 110.93 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 0.06 0.00 -1.71 0.86 0.00 0.00 177.93 177.14 1xsk n ASN 641 N -2.71 -0.58 -4.76 2.45 5.15 -0.78 -4.95 115.26 109.07 1xsk n ASN 641 Ca -0.01 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.65 1xsk n ASN 641 Cb 0.58 -1.73 0.09 0.00 -0.53 0.00 0.00 39.78 38.19 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 -2.31 4.53 0.22 1.20 -4.77 -1.26 -4.59 116.67 109.70 1xsk s ASP 642 Ca 0.00 1.92 0.12 0.00 -3.30 0.00 0.00 52.55 51.29 1xsk s ASP 642 Cb 0.00 -2.54 -0.05 0.00 -1.09 0.00 0.00 42.92 39.25 1xsk s ASP 642 CO 0.00 -2.02 -0.22 -1.61 0.70 0.00 0.00 175.17 172.02 1xsk s GLU 643 N -4.62 1.57 -0.01 2.11 2.02 -1.26 -0.95 118.70 117.56 1xsk s GLU 643 Ca 0.64 -1.61 -0.07 0.00 0.02 0.00 0.00 54.97 53.95 1xsk s GLU 643 Cb -0.19 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1xsk s GLU 643 CO 0.52 0.37 0.14 -0.51 0.02 0.00 0.00 175.26 175.79 1xsk s LEU 644 N -2.98 1.55 -0.04 1.80 1.43 0.57 -4.96 118.68 116.05 1xsk s LEU 644 Ca 0.24 -0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 52.99 1xsk s LEU 644 Cb -0.07 0.63 -0.04 0.00 0.03 0.00 0.00 46.19 46.74 1xsk s LEU 644 CO 0.12 -0.30 0.70 -1.81 0.23 0.00 0.00 176.35 175.28 1xsk s ASP 645 N -1.09 7.03 0.90 2.29 1.01 -1.26 0.03 116.67 125.57 1xsk s ASP 645 Ca -0.12 1.23 0.00 0.00 0.71 0.00 0.00 52.55 54.37 1xsk s ASP 645 Cb -0.06 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1xsk s ASP 645 CO 0.01 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 175.94 1xsk n GLY 646 N 2.88 -1.72 2.42 0.21 0.00 0.44 -4.50 105.19 104.92 1xsk n GLY 646 Ca -0.02 -1.56 -0.19 0.00 0.00 0.00 0.00 46.02 44.24 1xsk n GLY 646 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xsk n SER 647 N -2.70 -5.51 -3.72 1.61 2.88 0.26 -4.72 113.62 101.72 1xsk n SER 647 Ca 0.00 0.11 -0.09 0.00 -1.33 0.00 0.00 58.87 57.57 1xsk n SER 647 Cb 0.00 -4.60 -0.02 0.00 -0.75 0.00 0.00 64.21 58.84 1xsk n SER 647 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsk s ARG 648 N -4.62 1.62 0.26 -1.46 1.70 -0.94 -4.96 118.95 110.56 1xsk s ARG 648 Ca 0.00 -0.82 -0.14 0.00 -0.47 0.00 0.00 55.73 54.30 1xsk s ARG 648 Cb 0.00 0.60 -0.08 0.00 -0.57 0.00 0.00 34.95 34.90 1xsk s ARG 648 CO 0.00 -0.74 0.65 -1.58 -1.08 0.00 0.00 175.30 172.55 1xsk s TRP 649 N -3.86 3.45 0.08 5.89 0.52 -1.26 -1.49 118.94 122.26 1xsk s TRP 649 Ca 0.08 1.10 0.06 0.00 0.02 0.00 0.00 56.10 57.36 1xsk s TRP 649 Cb -0.04 -2.43 -0.03 0.00 -1.15 0.00 0.00 33.47 29.81 1xsk s TRP 649 CO 0.01 0.22 -0.15 -1.01 0.02 0.00 0.00 176.95 176.03 1xsk s HIS 650 N -1.82 1.31 -0.14 -1.98 3.76 0.58 -4.98 115.29 112.04 1xsk s HIS 650 Ca 0.49 -0.47 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1xsk s HIS 650 Cb -0.12 -0.73 0.02 0.00 1.11 0.00 0.00 32.58 32.86 1xsk s HIS 650 CO 0.19 0.09 -0.16 0.21 -0.85 0.00 0.00 174.74 174.22 1xsk s LYS 651 N -1.93 2.39 0.24 1.40 2.20 -1.26 -1.77 119.74 121.02 1xsk s LYS 651 Ca 0.01 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1xsk s LYS 651 Cb -0.09 -2.09 -0.05 0.00 -1.51 0.00 0.00 37.83 34.09 1xsk s LYS 651 CO 0.03 -0.15 0.11 -0.65 -0.36 0.00 0.00 175.35 174.33 1xsk s GLN 652 N 1.22 1.34 -0.08 4.03 -0.21 -0.65 -5.03 119.66 120.28 1xsk s GLN 652 Ca -0.01 -1.72 -0.02 0.00 0.02 0.00 0.00 55.36 53.63 1xsk s GLN 652 Cb -0.14 -0.06 0.04 0.00 1.00 0.00 0.00 33.01 33.85 1xsk s GLN 652 CO -0.07 -0.34 0.04 -1.14 -2.12 0.00 0.00 175.29 171.67 1xsk s GLN 653 N -4.07 0.26 0.20 2.91 0.74 -1.26 -1.51 119.66 116.93 1xsk s GLN 653 Ca 0.38 0.14 0.10 0.00 0.05 0.00 0.00 55.36 56.03 1xsk s GLN 653 Cb 0.07 -1.02 -0.04 0.00 1.10 0.00 0.00 33.01 33.12 1xsk s GLN 653 CO 0.13 -0.40 -0.15 -1.01 -0.55 0.00 0.00 175.29 173.31 1xsk s HIS 654 N 2.06 2.48 0.83 1.67 3.76 -0.61 -4.93 115.29 120.54 1xsk s HIS 654 Ca 0.04 -0.28 -0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1xsk s HIS 654 Cb -0.13 -1.20 0.16 0.00 1.11 0.00 0.00 32.58 32.52 1xsk s HIS 654 CO -0.05 0.54 1.14 0.20 -0.85 0.00 0.00 174.74 175.71 1xsk s GLY 655 N -2.90 1.77 0.22 -2.22 0.00 -1.26 -4.11 107.32 98.82 1xsk s GLY 655 Ca 0.24 -1.53 0.18 0.00 0.00 0.00 0.00 44.72 43.62 1xsk s GLY 655 CO 0.13 -0.87 1.56 0.69 0.00 0.00 0.00 173.10 174.62 1xsk n PHE 656 N -3.23 0.57 -0.89 1.90 3.72 -1.26 -1.75 117.46 116.52 1xsk n PHE 656 Ca 0.15 0.26 0.08 0.00 -0.05 0.00 0.00 57.45 57.90 1xsk n PHE 656 Cb 0.60 -0.92 0.33 0.00 -0.94 0.00 0.00 39.48 38.54 1xsk n PHE 656 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xsk n LEU 657 N -2.06 4.73 -3.84 4.37 4.32 -1.26 -4.86 117.00 118.40 1xsk n LEU 657 Ca 0.00 -2.88 -0.11 0.00 -0.02 0.00 0.00 56.01 53.00 1xsk n LEU 657 Cb 0.11 -0.59 -0.09 0.00 -1.62 0.00 0.00 43.42 41.22 1xsk n LEU 657 CO 0.12 0.67 -0.10 -0.55 -1.22 0.00 0.00 177.39 176.31 1xsk s SER 658 N -1.31 -0.02 0.03 -1.43 0.15 -0.72 -5.05 113.70 105.35 1xsk s SER 658 Ca 0.48 -0.22 -0.27 0.00 0.70 0.00 0.00 55.95 56.63 1xsk s SER 658 Cb 0.36 0.26 0.09 0.00 -1.71 0.00 0.00 66.02 65.03 1xsk s SER 658 CO 0.14 -0.47 0.77 -1.48 1.20 0.00 0.00 173.24 173.40 1xsk s LEU 659 N -1.70 -0.48 -0.15 3.45 2.34 -1.26 -4.36 118.68 116.53 1xsk s LEU 659 Ca -0.10 0.15 -0.29 0.00 0.06 0.00 0.00 54.13 53.95 1xsk s LEU 659 Cb -0.04 2.28 -0.06 0.00 -0.56 0.00 0.00 46.19 47.81 1xsk s LEU 659 CO -0.00 -0.71 2.10 -2.84 -1.06 0.00 0.00 176.35 173.84 1xsk s PRO 660 N -2.82 3.46 -0.33 1.48 0.02 -1.25 -4.90 135.00 130.65 1xsk s PRO 660 Ca 0.01 2.15 -0.01 0.00 0.02 0.00 0.00 61.00 63.17 1xsk s PRO 660 Cb -0.01 -4.29 0.11 0.00 0.02 0.00 0.00 34.50 30.34 1xsk s PRO 660 CO -0.06 -1.73 0.15 0.08 -0.33 0.00 0.00 177.00 175.11 1xsk s VAL 661 N 7.00 0.50 -0.05 3.83 1.01 -1.25 -1.71 120.40 129.73 1xsk s VAL 661 Ca 0.95 -1.43 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1xsk s VAL 661 Cb -0.35 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1xsk s VAL 661 CO 0.37 -0.79 -0.12 -0.31 0.00 0.00 0.00 175.10 174.25 1xsk s TYR 662 N 1.47 2.79 -0.14 5.22 2.02 -0.41 -0.95 117.35 127.35 1xsk s TYR 662 Ca 0.12 -0.09 -0.06 0.00 -0.37 0.00 0.00 57.07 56.67 1xsk s TYR 662 Cb -0.19 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 1xsk s TYR 662 CO -0.20 0.25 0.06 0.08 -1.57 0.00 0.00 175.55 174.17 1xsk s VAL 663 N -0.77 4.82 0.81 0.71 1.01 -0.19 -0.66 120.40 126.13 1xsk s VAL 663 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 1xsk s VAL 663 Cb -0.11 -3.12 0.08 0.00 0.00 0.00 0.00 36.38 33.24 1xsk s VAL 663 CO 0.01 0.54 1.14 -0.13 0.00 0.00 0.00 175.10 176.66 1xsk s ARG 664 N -0.28 1.80 0.78 2.72 0.52 -0.70 -2.17 118.95 121.63 1xsk s ARG 664 Ca 0.08 1.47 -0.12 0.00 -0.52 0.00 0.00 55.73 56.65 1xsk s ARG 664 Cb -0.12 -1.82 0.06 0.00 0.52 0.00 0.00 34.95 33.59 1xsk s ARG 664 CO 0.02 -2.03 1.12 0.16 0.02 0.00 0.00 175.30 174.58 1xsk s ASP 665 N -2.73 4.71 -1.32 0.23 3.84 -1.23 -3.81 116.67 116.36 1xsk s ASP 665 Ca 0.67 1.08 -0.05 0.00 -0.00 0.00 0.00 52.55 54.25 1xsk s ASP 665 Cb -0.22 -1.77 0.01 0.00 -1.38 0.00 0.00 42.92 39.56 1xsk s ASP 665 CO 0.53 -1.80 0.71 0.59 -0.00 0.00 0.00 175.17 175.19 1xsk n ASN 666 N -3.30 -5.71 -4.30 2.11 3.02 -0.43 -4.99 115.26 101.67 1xsk n ASN 666 Ca 0.07 -0.33 -0.32 0.00 -0.03 0.00 0.00 54.58 53.98 1xsk n ASN 666 Cb 0.58 -4.46 -0.16 0.00 -0.61 0.00 0.00 39.78 35.13 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 -3.17 2.24 -0.43 3.41 2.01 -1.14 -4.51 115.64 114.05 1xsk s THR 667 Ca 0.35 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1xsk s THR 667 Cb -0.15 -1.83 0.12 0.00 0.01 0.00 0.00 72.50 70.65 1xsk s THR 667 CO 0.43 0.57 0.19 -0.22 -0.69 0.00 0.00 174.62 174.91 1xsk s LEU 668 N -0.19 4.93 0.03 4.42 2.96 -1.26 -0.09 118.68 129.48 1xsk s LEU 668 Ca -0.02 -2.36 -0.15 0.00 -0.22 0.00 0.00 54.13 51.38 1xsk s LEU 668 Cb -0.14 -1.73 -0.06 0.00 0.50 0.00 0.00 46.19 44.76 1xsk s LEU 668 CO 0.03 -0.41 0.45 -0.22 -1.32 0.00 0.00 176.35 174.88 1xsk s LEU 669 N 0.65 4.47 -0.20 -0.68 2.96 -0.02 -4.29 118.68 121.57 1xsk s LEU 669 Ca 0.12 1.01 -0.04 0.00 -0.22 0.00 0.00 54.13 55.00 1xsk s LEU 669 Cb -0.22 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.74 1xsk s LEU 669 CO -0.05 0.29 -0.04 0.00 -1.32 0.00 0.00 176.35 175.23 1xsk s ALA 670 N -1.13 2.87 0.15 5.97 0.00 -1.26 -0.15 121.76 128.21 1xsk s ALA 670 Ca 0.26 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.26 1xsk s ALA 670 Cb -0.17 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1xsk s ALA 670 CO 0.15 -0.20 -0.13 -0.51 0.00 0.00 0.00 175.76 175.07 1xsk s LEU 671 N 1.10 2.88 0.38 0.00 1.02 -1.09 -3.25 118.68 119.72 1xsk s LEU 671 Ca 0.01 -0.56 0.07 0.00 0.02 0.00 0.00 54.13 53.68 1xsk s LEU 671 Cb -0.15 -1.63 -0.00 0.00 0.02 0.00 0.00 46.19 44.44 1xsk s LEU 671 CO 0.00 0.14 0.51 -0.83 0.02 0.00 0.00 176.35 176.19 1xsk s GLY 672 N -2.54 1.80 -0.36 -3.19 0.00 0.96 -1.32 107.32 102.68 1xsk s GLY 672 Ca 0.22 -1.58 0.08 0.00 0.00 0.00 0.00 44.72 43.44 1xsk s GLY 672 CO 0.13 -1.45 1.84 1.16 0.00 0.00 0.00 173.10 174.79 1xsk n ASN 673 N -1.73 4.60 -3.65 1.64 6.94 -1.26 -4.78 115.26 117.01 1xsk n ASN 673 Ca 0.04 -3.32 -0.21 0.00 -0.02 0.00 0.00 54.58 51.07 1xsk n ASN 673 Cb 0.59 -0.77 -0.17 0.00 -2.36 0.00 0.00 39.78 37.06 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 -1.10 1.37 -0.22 0.53 3.84 -1.26 -5.02 114.94 113.08 1xsk s ASN 674 Ca 0.56 -0.06 0.13 0.00 0.21 0.00 0.00 52.86 53.70 1xsk s ASN 674 Cb 0.45 -0.09 0.46 0.00 -0.55 0.00 0.00 41.25 41.52 1xsk s ASN 674 CO 0.13 -0.28 1.36 -0.90 -2.79 0.00 0.00 177.10 174.62 1xsk n ASP 675 N 5.30 2.67 -0.00 -4.21 5.75 -1.26 -3.65 116.55 121.14 1xsk n ASP 675 Ca -0.04 -3.49 0.00 0.00 -0.01 0.00 0.00 54.79 51.25 1xsk n ASP 675 Cb 0.50 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.03 4.15 -3.56 0.11 1.13 -1.26 -4.25 117.38 112.66 1xsk n GLN 676 Ca 0.25 -0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.14 1xsk n GLN 676 Cb 0.88 -0.73 -0.06 0.00 0.11 0.00 0.00 30.24 30.44 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 -1.46 0.98 0.38 -1.09 1.70 -1.26 -4.84 118.95 113.37 1xsk s ARG 677 Ca 0.00 0.54 0.24 0.00 -0.47 0.00 0.00 55.73 56.04 1xsk s ARG 677 Cb 0.01 0.47 0.44 0.00 -0.57 0.00 0.00 34.95 35.29 1xsk s ARG 677 CO 0.04 -0.24 1.64 -1.00 -1.08 0.00 0.00 175.30 174.66 1xsk h PRO 678 N 3.75 0.00 -3.82 3.89 0.13 -1.87 -3.42 132.00 130.66 1xsk h PRO 678 Ca -0.28 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.10 1xsk h PRO 678 Cb 1.15 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.99 1xsk h PRO 678 CO 0.26 0.00 -0.12 0.16 -0.23 0.00 0.00 178.00 178.07 1xsk s ASP 679 N -5.82 6.13 0.27 1.44 -4.77 -1.26 -4.89 116.67 107.77 1xsk s ASP 679 Ca 0.08 -2.61 -0.09 0.00 -3.30 0.00 0.00 52.55 46.63 1xsk s ASP 679 Cb 0.07 -2.08 -0.00 0.00 -1.09 0.00 0.00 42.92 39.82 1xsk s ASP 679 CO 0.65 -0.54 0.45 -0.72 0.70 0.00 0.00 175.17 175.72 1xsk s TYR 680 N 0.30 0.61 -0.68 2.11 1.13 -1.26 -5.03 117.35 114.52 1xsk s TYR 680 Ca 0.15 -0.94 -0.26 0.00 -1.41 0.00 0.00 57.07 54.61 1xsk s TYR 680 Cb -0.16 0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.76 1xsk s TYR 680 CO -0.06 -1.01 1.69 0.54 -2.51 0.00 0.00 175.55 174.20 1xsk s VAL 681 N -3.74 3.48 0.37 -3.49 0.11 -1.26 -4.86 120.40 111.01 1xsk s VAL 681 Ca 0.26 0.19 0.22 0.00 -2.93 0.00 0.00 61.98 59.72 1xsk s VAL 681 Cb 0.00 -4.25 0.23 0.00 -1.53 0.00 0.00 36.38 30.82 1xsk s VAL 681 CO 0.12 -1.21 1.97 -0.50 -3.33 0.00 0.00 175.10 172.15 1xsk h TRP 682 N 13.19 0.00 -0.30 1.54 6.55 -1.96 -3.16 115.95 131.81 1xsk h TRP 682 Ca -0.23 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.61 1xsk h TRP 682 Cb 1.12 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.42 1xsk h TRP 682 CO 1.09 0.20 0.00 -2.39 -1.05 0.00 0.00 178.44 176.29 1xsk n HIS 683 N -3.78 0.84 -3.82 0.49 1.44 -1.26 -4.28 115.22 104.85 1xsk n HIS 683 Ca -0.02 -0.31 -0.28 0.00 -2.01 0.00 0.00 57.72 55.10 1xsk n HIS 683 Cb 0.30 -0.20 -0.16 0.00 0.12 0.00 0.00 29.99 30.05 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 -1.75 1.03 0.00 -1.40 2.02 -1.19 -1.85 118.70 115.56 1xsk s GLU 684 Ca 0.26 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1xsk s GLU 684 Cb 0.18 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.21 1xsk s GLU 684 CO 0.10 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 175.20 1xsk n GLY 685 N 4.92 0.80 3.68 -1.39 0.00 -0.07 -4.76 105.19 108.36 1xsk n GLY 685 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.11 1.74 -3.90 2.61 -1.04 -1.26 -4.27 114.28 106.05 1xsk n THR 686 Ca 0.00 -0.44 -0.32 0.00 -2.04 0.00 0.00 64.05 61.25 1xsk n THR 686 Cb 0.00 -1.47 -0.13 0.00 -1.82 0.00 0.00 70.33 66.91 1xsk n THR 686 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xsk s ALA 687 N -0.83 3.27 0.55 2.41 0.00 -0.43 -1.50 121.76 125.22 1xsk s ALA 687 Ca 0.59 -3.05 -0.19 0.00 0.00 0.00 0.00 51.96 49.30 1xsk s ALA 687 Cb -0.61 -2.25 -0.06 0.00 0.00 0.00 0.00 23.12 20.21 1xsk s ALA 687 CO 0.59 -1.95 1.12 -0.06 0.00 0.00 0.00 175.76 175.46 1xsk s PHE 688 N 0.13 2.70 -0.09 0.00 0.08 -0.35 -2.67 117.98 117.78 1xsk s PHE 688 Ca 0.15 1.55 -0.03 0.00 0.12 0.00 0.00 56.93 58.72 1xsk s PHE 688 Cb -0.23 -3.26 0.04 0.00 -0.57 0.00 0.00 43.02 39.00 1xsk s PHE 688 CO -0.03 -1.51 0.05 -1.01 -0.10 0.00 0.00 175.22 172.62 1xsk s HIS 689 N -1.85 0.31 -0.05 0.36 3.76 0.79 -0.86 115.29 117.75 1xsk s HIS 689 Ca 0.72 -0.05 -0.18 0.00 -0.15 0.00 0.00 55.06 55.39 1xsk s HIS 689 Cb -0.23 -0.65 -0.05 0.00 1.11 0.00 0.00 32.58 32.77 1xsk s HIS 689 CO 0.28 -0.33 0.49 -1.17 -0.85 0.00 0.00 174.74 173.16 1xsk s LEU 690 N 2.09 4.37 -0.13 0.89 2.96 -0.51 -0.84 118.68 127.51 1xsk s LEU 690 Ca 0.04 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 54.93 1xsk s LEU 690 Cb -0.13 -2.73 -0.00 0.00 0.50 0.00 0.00 46.19 43.83 1xsk s LEU 690 CO -0.05 0.12 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.55 1xsk s PHE 691 N -0.10 2.69 -0.04 5.38 0.08 0.88 -2.52 117.98 124.35 1xsk s PHE 691 Ca 0.27 -1.03 -0.00 0.00 0.12 0.00 0.00 56.93 56.28 1xsk s PHE 691 Cb -0.16 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1xsk s PHE 691 CO 0.13 -0.44 0.03 0.09 -0.10 0.00 0.00 175.22 174.93 1xsk n ASN 692 N 3.78 -0.22 -4.66 1.36 5.03 -1.26 -1.31 115.26 117.97 1xsk n ASN 692 Ca -0.19 -0.05 -0.43 0.00 0.87 0.00 0.00 54.58 54.78 1xsk n ASN 692 Cb 0.52 -0.07 -0.02 0.00 -1.02 0.00 0.00 39.78 39.19 1xsk n ASN 692 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsk s LEU 693 N -2.73 4.15 0.31 3.41 0.20 -1.26 -1.96 118.68 120.80 1xsk s LEU 693 Ca 0.00 1.55 -0.10 0.00 0.69 0.00 0.00 54.13 56.28 1xsk s LEU 693 Cb -0.00 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 42.15 1xsk s LEU 693 CO 0.04 -0.70 0.65 -1.10 -0.29 0.00 0.00 176.35 174.96 1xsk s GLN 694 N 3.25 3.80 0.07 1.98 -0.21 -1.26 -4.96 119.66 122.32 1xsk s GLN 694 Ca 0.50 0.35 -0.34 0.00 0.02 0.00 0.00 55.36 55.89 1xsk s GLN 694 Cb -0.19 -2.53 -0.13 0.00 1.00 0.00 0.00 33.01 31.17 1xsk s GLN 694 CO 0.11 0.16 1.71 -3.47 -2.12 0.00 0.00 175.29 171.68 1xsk n ASP 695 N -0.70 3.32 0.00 5.90 2.03 -1.26 -1.13 116.55 124.71 1xsk n ASP 695 Ca 0.01 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.36 1xsk n ASP 695 Cb 0.53 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1xsk n ASP 695 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsk n GLY 696 N 3.85 0.72 3.77 0.27 0.00 0.10 -5.05 105.19 108.85 1xsk n GLY 696 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.78 2.89 -0.06 1.61 3.76 -0.29 -4.94 115.29 115.49 1xsk s HIS 697 Ca 0.00 -0.22 0.02 0.00 -0.15 0.00 0.00 55.06 54.71 1xsk s HIS 697 Cb 0.00 -1.46 0.02 0.00 1.11 0.00 0.00 32.58 32.25 1xsk s HIS 697 CO 0.00 0.46 -0.09 -2.00 -0.85 0.00 0.00 174.74 172.25 1xsk s GLU 698 N -3.82 1.39 -0.34 1.40 2.12 -1.26 -1.78 118.70 116.40 1xsk s GLU 698 Ca 0.35 -0.30 -0.06 0.00 0.36 0.00 0.00 54.97 55.31 1xsk s GLU 698 Cb -0.06 -1.22 0.05 0.00 0.26 0.00 0.00 34.13 33.16 1xsk s GLU 698 CO 0.23 -0.02 0.11 0.00 -0.54 0.00 0.00 175.26 175.05 1xsk s ALA 699 N 0.79 3.05 0.08 6.30 0.00 -0.50 -4.95 121.76 126.54 1xsk s ALA 699 Ca -0.13 -1.81 -0.04 0.00 0.00 0.00 0.00 51.96 49.99 1xsk s ALA 699 Cb -0.15 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 1xsk s ALA 699 CO 0.02 -1.37 0.30 0.08 0.00 0.00 0.00 175.76 174.79 1xsk s VAL 700 N 1.38 5.26 -0.04 0.00 1.01 -1.26 -2.09 120.40 124.66 1xsk s VAL 700 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1xsk s VAL 700 Cb -0.20 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1xsk s VAL 700 CO 0.02 0.16 0.08 0.00 0.00 0.00 0.00 175.10 175.36 1xsk s GLU 702 N 1.72 3.25 -0.23 0.00 2.02 -1.26 -1.08 118.70 123.13 1xsk s GLU 702 Ca -0.02 -0.70 -0.16 0.00 0.02 0.00 0.00 54.97 54.12 1xsk s GLU 702 Cb -0.12 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 1xsk s GLU 702 CO -0.04 -0.14 0.40 0.08 0.02 0.00 0.00 175.26 175.58 1xsk s VAL 703 N 1.24 5.18 0.44 2.63 1.01 0.34 -4.89 120.40 126.34 1xsk s VAL 703 Ca 0.03 0.67 -0.18 0.00 0.00 0.00 0.00 61.98 62.50 1xsk s VAL 703 Cb -0.14 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 1xsk s VAL 703 CO -0.05 0.21 0.92 -2.16 0.00 0.00 0.00 175.10 174.03 1xsk s PRO 704 N 1.60 4.09 0.66 2.72 0.04 -1.26 0.06 135.00 142.90 1xsk s PRO 704 Ca 0.18 0.97 0.06 0.00 0.04 0.00 0.00 61.00 62.25 1xsk s PRO 704 Cb -0.15 -2.21 0.12 0.00 0.04 0.00 0.00 34.50 32.30 1xsk s PRO 704 CO 0.08 -0.08 0.91 0.00 0.04 0.00 0.00 177.00 177.95 1xsk s ALA 705 N -2.30 4.34 0.19 8.56 0.00 0.32 -4.68 121.76 128.19 1xsk s ALA 705 Ca 0.59 -2.09 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 1xsk s ALA 705 Cb -0.09 -1.63 0.15 0.00 0.00 0.00 0.00 23.12 21.54 1xsk s ALA 705 CO 0.20 -1.21 1.59 0.00 0.00 0.00 0.00 175.76 176.35 1xsk h ALA 706 N -0.18 0.05 0.00 0.00 0.00 -1.96 0.27 119.26 117.44 1xsk h ALA 706 Ca -0.31 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xsk h ALA 706 Cb 1.28 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1xsk h ALA 706 CO 0.39 -0.63 0.00 -0.40 0.00 0.00 0.00 179.25 178.61 1xsk n ASP 707 N -5.44 0.20 0.00 0.00 5.68 -1.26 -4.81 116.55 110.91 1xsk n ASP 707 Ca 0.05 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 1xsk n ASP 707 Cb 0.36 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 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 0.16 2.51 3.84 6.12 0.00 0.94 -5.03 105.19 113.74 1xsk n GLY 708 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.74 5.91 -0.03 1.61 1.04 -1.26 -4.53 113.70 112.71 1xsk s SER 709 Ca 0.00 1.56 -0.30 0.00 0.48 0.00 0.00 55.95 57.69 1xsk s SER 709 Cb 0.00 -2.49 -0.06 0.00 0.10 0.00 0.00 66.02 63.57 1xsk s SER 709 CO 0.00 -1.08 1.61 -0.69 0.98 0.00 0.00 173.24 174.06 1xsk s VAL 710 N -2.97 3.53 -0.03 5.02 1.01 -1.26 0.12 120.40 125.82 1xsk s VAL 710 Ca 0.58 0.74 0.15 0.00 0.00 0.00 0.00 61.98 63.45 1xsk s VAL 710 Cb -0.13 -3.48 -0.24 0.00 0.00 0.00 0.00 36.38 32.54 1xsk s VAL 710 CO 0.49 -0.05 0.32 0.00 0.00 0.00 0.00 175.10 175.86 1xsk n ILE 711 N 5.25 0.08 -3.70 2.22 3.06 0.11 -4.81 119.36 121.55 1xsk n ILE 711 Ca 0.16 -0.38 -0.11 0.00 -2.50 0.00 0.00 62.75 59.92 1xsk n ILE 711 Cb 0.43 0.09 -0.10 0.00 0.54 0.00 0.00 39.64 40.59 1xsk n ILE 711 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 1xsk s PHE 712 N -3.02 -0.58 -0.22 9.51 5.36 -1.10 -1.33 117.98 126.60 1xsk s PHE 712 Ca -0.06 1.29 0.01 0.00 -0.96 0.00 0.00 56.93 57.21 1xsk s PHE 712 Cb 0.10 0.24 0.05 0.00 -0.34 0.00 0.00 43.02 43.07 1xsk s PHE 712 CO 0.64 -0.31 -0.08 0.99 -1.46 0.00 0.00 175.22 175.01 1xsk s THR 713 N 0.91 1.62 -0.25 0.12 2.01 0.13 -0.51 115.64 119.67 1xsk s THR 713 Ca -0.05 -1.15 -0.08 0.00 0.31 0.00 0.00 61.69 60.71 1xsk s THR 713 Cb -0.06 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1xsk s THR 713 CO -0.07 0.02 0.10 -0.22 -0.69 0.00 0.00 174.62 173.76 1xsk s LEU 714 N 1.38 3.68 0.11 4.42 0.20 -0.24 -1.84 118.68 126.39 1xsk s LEU 714 Ca -0.04 -0.10 0.08 0.00 0.69 0.00 0.00 54.13 54.77 1xsk s LEU 714 Cb -0.18 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.56 1xsk s LEU 714 CO -0.07 -0.00 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.29 1xsk s LYS 715 N 1.42 1.87 -0.30 1.98 1.02 -0.35 -1.54 119.74 123.85 1xsk s LYS 715 Ca 0.06 -1.14 -0.03 0.00 0.02 0.00 0.00 55.97 54.88 1xsk s LYS 715 Cb -0.15 -2.16 0.11 0.00 -0.52 0.00 0.00 37.83 35.11 1xsk s LYS 715 CO 0.05 0.49 0.14 0.00 -0.92 0.00 0.00 175.35 175.11 1xsk s ALA 716 N -1.15 0.73 -0.21 5.17 0.00 -0.89 -1.77 121.76 123.64 1xsk s ALA 716 Ca 0.19 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 1xsk s ALA 716 Cb -0.11 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 1xsk s ALA 716 CO 0.11 -1.71 0.11 0.00 0.00 0.00 0.00 175.76 174.27 1xsk s ALA 717 N 1.93 3.54 -0.57 0.00 0.00 -0.61 -1.40 121.76 124.64 1xsk s ALA 717 Ca 0.10 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1xsk s ALA 717 Cb -0.17 -2.13 0.15 0.00 0.00 0.00 0.00 23.12 20.96 1xsk s ALA 717 CO -0.31 0.02 0.48 0.50 0.00 0.00 0.00 175.76 176.45 1xsk s ARG 718 N 0.65 2.84 0.02 0.00 3.52 -0.73 -0.03 118.95 125.22 1xsk s ARG 718 Ca 0.06 -1.96 -0.28 0.00 -0.13 0.00 0.00 55.73 53.43 1xsk s ARG 718 Cb -0.12 -4.11 -0.16 0.00 -1.56 0.00 0.00 34.95 28.99 1xsk s ARG 718 CO 0.01 -1.25 1.23 0.00 -0.81 0.00 0.00 175.30 174.48 1xsk h THR 719 N 5.73 0.23 0.00 4.11 1.03 -1.69 0.29 112.91 122.61 1xsk h THR 719 Ca -0.16 -0.32 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1xsk h THR 719 Cb 1.06 0.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 1xsk h THR 719 CO 0.88 0.03 -0.17 0.61 -0.01 0.00 0.00 175.52 176.86 1xsk n GLY 720 N -0.72 -0.08 0.04 2.99 0.00 -1.26 -4.05 105.19 102.11 1xsk n GLY 720 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1xsk n GLY 720 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xsk n ASN 721 N -2.91 0.00 -4.22 1.61 5.15 -1.26 -4.88 115.26 108.75 1xsk n ASN 721 Ca 0.00 -1.01 -0.32 0.00 -0.60 0.00 0.00 54.58 52.65 1xsk n ASN 721 Cb 0.08 -0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.16 1xsk n ASN 721 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1xsk s THR 722 N 0.00 2.12 -0.27 -0.44 2.01 -1.26 -1.41 115.64 116.39 1xsk s THR 722 Ca 0.00 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 1xsk s THR 722 Cb 0.00 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 1xsk s THR 722 CO 0.00 0.56 0.10 -0.63 -0.69 0.00 0.00 174.62 173.95 1xsk s ILE 723 N 0.45 4.45 -0.26 1.82 1.09 0.49 -1.92 121.20 127.32 1xsk s ILE 723 Ca -0.16 -0.21 -0.18 0.00 -1.10 0.00 0.00 60.65 59.01 1xsk s ILE 723 Cb -0.17 -3.13 -0.03 0.00 -1.06 0.00 0.00 42.46 38.06 1xsk s ILE 723 CO 0.06 0.27 0.50 -0.89 -0.10 0.00 0.00 174.94 174.78 1xsk s THR 724 N 1.62 5.08 -0.37 2.92 2.01 0.95 -2.11 115.64 125.74 1xsk s THR 724 Ca 0.06 0.85 -0.09 0.00 0.31 0.00 0.00 61.69 62.83 1xsk s THR 724 Cb -0.16 -3.82 0.04 0.00 0.01 0.00 0.00 72.50 68.58 1xsk s THR 724 CO 0.05 0.09 0.18 -0.69 -0.69 0.00 0.00 174.62 173.55 1xsk s VAL 725 N 2.29 4.18 -0.16 3.82 1.01 -0.82 -1.58 120.40 129.14 1xsk s VAL 725 Ca 0.21 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1xsk s VAL 725 Cb -0.16 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1xsk s VAL 725 CO 0.09 -0.27 -0.06 0.42 0.00 0.00 0.00 175.10 175.28 1xsk s THR 726 N 1.46 3.60 0.13 3.92 -4.23 -0.73 -4.25 115.64 115.55 1xsk s THR 726 Ca 0.01 -0.45 0.05 0.00 -1.18 0.00 0.00 61.69 60.11 1xsk s THR 726 Cb -0.20 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 1xsk s THR 726 CO 0.04 0.48 0.09 -0.83 -0.54 0.00 0.00 174.62 173.86 1xsk s GLY 727 N 0.58 1.84 -0.17 3.99 0.00 -1.26 -1.21 107.32 111.09 1xsk s GLY 727 Ca -0.04 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 43.41 1xsk s GLY 727 CO 0.03 -1.15 0.43 0.00 0.00 0.00 0.00 173.10 172.40 1xsk s ALA 728 N -1.58 -1.09 0.00 3.20 0.00 -0.76 -5.00 121.76 116.53 1xsk s ALA 728 Ca 0.29 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1xsk s ALA 728 Cb -0.11 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1xsk s ALA 728 CO 0.22 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1xsk n GLY 729 N 3.74 -0.45 3.47 0.00 0.00 -1.26 0.19 105.19 110.87 1xsk n GLY 729 Ca -0.19 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 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 3.66 -0.28 1.61 2.12 -0.44 -4.96 118.70 120.40 1xsk s GLU 730 Ca 0.00 -0.50 -0.21 0.00 0.36 0.00 0.00 54.97 54.62 1xsk s GLU 730 Cb 0.00 -3.11 0.13 0.00 0.26 0.00 0.00 34.13 31.41 1xsk s GLU 730 CO 0.00 0.03 1.01 0.00 -0.54 0.00 0.00 175.26 175.76 1xsk s ALA 731 N 0.97 -2.09 0.06 6.30 0.00 -1.26 -4.29 121.76 121.45 1xsk s ALA 731 Ca 0.02 2.01 0.06 0.00 0.00 0.00 0.00 51.96 54.05 1xsk s ALA 731 Cb -0.14 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 1xsk s ALA 731 CO 0.02 -0.28 -0.17 0.15 0.00 0.00 0.00 175.76 175.49 1xsk s LYS 732 N 0.68 1.03 -1.49 0.00 3.01 -0.77 -4.84 119.74 117.36 1xsk s LYS 732 Ca -0.02 -0.90 -0.12 0.00 -1.01 0.00 0.00 55.97 53.93 1xsk s LYS 732 Cb -0.04 -1.11 0.07 0.00 -1.01 0.00 0.00 37.83 35.74 1xsk s LYS 732 CO -0.10 0.27 0.99 -1.71 0.51 0.00 0.00 175.35 175.30 1xsk n ASN 733 N 1.64 -4.68 -4.93 2.83 2.85 -1.26 -0.89 115.26 110.82 1xsk n ASN 733 Ca -0.19 -0.76 -0.25 0.00 -0.11 0.00 0.00 54.58 53.28 1xsk n ASN 733 Cb 0.54 -4.04 -0.01 0.00 1.24 0.00 0.00 39.78 37.51 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 -3.34 3.51 0.28 1.20 1.48 -1.26 -3.56 118.94 117.26 1xsk s TRP 734 Ca 0.60 0.44 0.05 0.00 -1.06 0.00 0.00 56.10 56.13 1xsk s TRP 734 Cb -0.30 -1.97 -0.06 0.00 -1.16 0.00 0.00 33.47 29.98 1xsk s TRP 734 CO 0.82 0.06 -0.00 0.99 -4.06 0.00 0.00 176.95 174.76 1xsk s THR 735 N -2.36 1.34 -0.19 0.66 2.01 -0.57 -4.53 115.64 112.00 1xsk s THR 735 Ca 0.41 -2.06 -0.04 0.00 0.31 0.00 0.00 61.69 60.32 1xsk s THR 735 Cb -0.10 -2.55 0.09 0.00 0.01 0.00 0.00 72.50 69.95 1xsk s THR 735 CO 0.37 -0.20 0.21 -0.22 -0.69 0.00 0.00 174.62 174.09 1xsk s LEU 736 N -3.43 -0.08 -0.15 4.42 1.98 -0.51 -1.22 118.68 119.69 1xsk s LEU 736 Ca 0.32 -0.19 -0.14 0.00 -2.89 0.00 0.00 54.13 51.22 1xsk s LEU 736 Cb 0.06 0.35 -0.05 0.00 0.66 0.00 0.00 46.19 47.21 1xsk s LEU 736 CO 0.12 -0.32 0.30 0.00 -1.89 0.00 0.00 176.35 174.56 1xsk s LEU 738 N 0.33 5.49 0.01 0.00 1.43 0.12 -1.43 118.68 124.63 1xsk s LEU 738 Ca 0.17 -2.18 -0.36 0.00 -1.03 0.00 0.00 54.13 50.73 1xsk s LEU 738 Cb -0.13 -2.35 -0.15 0.00 0.03 0.00 0.00 46.19 43.59 1xsk s LEU 738 CO 0.04 -0.94 1.58 -1.14 0.23 0.00 0.00 176.35 176.12 1xsk n ARG 739 N 5.90 1.60 -2.10 1.70 3.00 -1.05 -1.83 116.66 123.89 1xsk n ARG 739 Ca 0.20 0.58 -0.19 0.00 -0.00 0.00 0.00 57.85 58.44 1xsk n ARG 739 Cb 0.48 -2.30 -0.03 0.00 0.00 0.00 0.00 32.46 30.61 1xsk n ARG 739 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1xsk n ASN 740 N 4.02 -5.49 -3.92 6.15 3.02 0.66 -4.68 115.26 115.02 1xsk n ASN 740 Ca 0.20 0.15 -0.30 0.00 -0.03 0.00 0.00 54.58 54.60 1xsk n ASN 740 Cb 0.22 -4.58 -0.14 0.00 -0.61 0.00 0.00 39.78 34.67 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 -2.88 2.11 0.21 2.41 1.01 -0.76 -4.99 120.40 117.50 1xsk s VAL 741 Ca 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 61.98 59.30 1xsk s VAL 741 Cb 0.00 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1xsk s VAL 741 CO 0.00 -0.73 1.57 -0.37 0.00 0.00 0.00 175.10 175.57 1xsk h VAL 742 N 5.97 1.29 -3.72 2.92 -1.51 -1.93 0.68 116.25 119.96 1xsk h VAL 742 Ca -0.06 -1.58 -0.20 0.00 -1.23 0.00 0.00 66.70 63.63 1xsk h VAL 742 Cb 0.96 1.53 -0.25 0.00 -2.13 0.00 0.00 31.29 31.39 1xsk h VAL 742 CO 0.57 0.50 -0.67 -0.75 -1.23 0.00 0.00 177.57 176.00 1xsk s LYS 743 N -4.26 0.16 0.35 5.19 2.20 -1.26 -4.64 119.74 117.47 1xsk s LYS 743 Ca -0.08 -0.18 0.09 0.00 -0.36 0.00 0.00 55.97 55.44 1xsk s LYS 743 Cb 0.12 0.06 -0.06 0.00 -1.51 0.00 0.00 37.83 36.45 1xsk s LYS 743 CO 0.84 -0.03 -0.02 0.54 -0.36 0.00 0.00 175.35 176.32 1xsk s VAL 744 N -0.53 2.48 -0.15 4.02 0.11 -1.26 -4.47 120.40 120.59 1xsk s VAL 744 Ca -0.06 -2.04 -0.18 0.00 -2.93 0.00 0.00 61.98 56.78 1xsk s VAL 744 Cb -0.04 -2.77 -0.24 0.00 -1.53 0.00 0.00 36.38 31.81 1xsk s VAL 744 CO -0.00 -0.19 0.40 -1.13 -3.33 0.00 0.00 175.10 170.85 1xsk h ASN 745 N 1.86 0.20 -5.12 3.54 -1.24 -1.03 -3.45 115.58 110.34 1xsk h ASN 745 Ca -0.43 -0.74 -0.11 0.00 0.71 0.00 0.00 56.30 55.74 1xsk h ASN 745 Cb 1.25 -0.07 -0.16 0.00 0.73 0.00 0.00 38.32 40.08 1xsk h ASN 745 CO 0.69 1.56 -0.44 -0.83 -1.29 0.00 0.00 177.43 177.12 1xsk s GLY 746 N -4.97 0.12 -0.05 1.57 0.00 -0.96 -4.98 107.32 98.06 1xsk s GLY 746 Ca -0.24 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 1xsk s GLY 746 CO 0.69 -0.71 0.10 -2.27 0.00 0.00 0.00 173.10 170.91 1xsk s LEU 747 N -2.45 0.98 0.06 0.66 0.20 -1.26 -1.10 118.68 115.77 1xsk s LEU 747 Ca -0.00 0.19 0.06 0.00 0.69 0.00 0.00 54.13 55.07 1xsk s LEU 747 Cb 0.02 0.21 -0.04 0.00 -0.43 0.00 0.00 46.19 45.95 1xsk s LEU 747 CO -0.07 -0.12 -0.13 -1.10 -0.29 0.00 0.00 176.35 174.64 1xsk s GLN 748 N 0.98 2.18 -1.70 1.98 -1.52 0.12 -4.72 119.66 116.98 1xsk s GLN 748 Ca -0.08 -0.95 -0.15 0.00 -1.95 0.00 0.00 55.36 52.24 1xsk s GLN 748 Cb -0.10 -2.30 0.14 0.00 -0.22 0.00 0.00 33.01 30.53 1xsk s GLN 748 CO -0.04 0.54 0.54 -0.25 -0.25 0.00 0.00 175.29 175.82 1xsk n ASP 749 N 1.21 -1.66 -3.63 5.90 9.92 -1.26 -2.67 116.55 124.36 1xsk n ASP 749 Ca -0.15 -1.14 -0.03 0.00 -0.53 0.00 0.00 54.79 52.94 1xsk n ASP 749 Cb 0.52 -2.19 -0.03 0.00 -0.64 0.00 0.00 41.12 38.78 1xsk n ASP 749 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xsk s GLY 750 N -3.61 -0.05 0.35 0.44 0.00 -1.26 -1.19 107.32 102.00 1xsk s GLY 750 Ca 0.55 2.41 0.03 0.00 0.00 0.00 0.00 44.72 47.70 1xsk s GLY 750 CO 0.97 0.93 0.49 -1.14 0.00 0.00 0.00 173.10 174.35 1xsk n SER 751 N 0.35 0.94 -3.53 1.64 3.41 -0.75 -4.93 113.62 110.75 1xsk n SER 751 Ca 0.00 -1.73 -0.13 0.00 -0.26 0.00 0.00 58.87 56.75 1xsk n SER 751 Cb 0.58 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 1xsk n SER 751 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xsk s GLN 752 N -3.64 1.11 0.17 4.33 -2.07 -1.26 -2.89 119.66 115.41 1xsk s GLN 752 Ca 0.34 -0.32 -0.12 0.00 -1.82 0.00 0.00 55.36 53.44 1xsk s GLN 752 Cb -0.02 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 1xsk s GLN 752 CO 0.22 -0.43 0.36 0.00 -1.32 0.00 0.00 175.29 174.12 1xsk s ALA 753 N -2.90 -0.31 0.04 2.60 0.00 -0.51 -5.02 121.76 115.66 1xsk s ALA 753 Ca -0.03 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1xsk s ALA 753 Cb -0.00 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1xsk s ALA 753 CO -0.05 -0.69 -0.01 -1.21 0.00 0.00 0.00 175.76 173.79 1xsk s GLU 754 N -3.93 2.63 0.19 0.00 2.02 -1.26 -1.29 118.70 117.05 1xsk s GLU 754 Ca 0.14 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.37 1xsk s GLU 754 Cb 0.02 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 1xsk s GLU 754 CO -0.01 0.58 0.15 -1.54 0.02 0.00 0.00 175.26 174.45 1xsk s SER 755 N -1.89 0.16 0.45 -0.19 1.04 -1.17 -4.88 113.70 107.22 1xsk s SER 755 Ca 0.22 -1.30 0.20 0.00 0.48 0.00 0.00 55.95 55.55 1xsk s SER 755 Cb -0.12 0.38 1.07 0.00 0.10 0.00 0.00 66.02 67.45 1xsk s SER 755 CO 0.14 -0.84 1.94 1.05 0.98 0.00 0.00 173.24 176.51 1xsk h GLU 756 N 2.64 0.00 0.00 4.02 4.11 -2.02 -3.01 114.58 120.32 1xsk h GLU 756 Ca -0.35 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.95 1xsk h GLU 756 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1xsk h GLU 756 CO 0.53 0.23 -1.05 1.96 0.07 0.00 0.00 179.01 180.75 1xsk h GLN 757 N 0.00 0.00 0.00 1.06 4.20 -1.96 -3.48 115.11 114.93 1xsk h GLN 757 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xsk h GLN 757 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1xsk h GLN 757 CO 0.03 0.34 0.00 0.41 -0.67 0.00 0.00 178.83 178.94 1xsk n GLY 758 N 1.32 0.57 3.67 3.46 0.00 -1.14 -0.25 105.19 112.82 1xsk n GLY 758 Ca -0.05 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1xsk n GLY 758 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsk s LEU 759 N 0.00 4.35 -0.05 0.99 2.96 0.23 -3.05 118.68 124.12 1xsk s LEU 759 Ca 0.00 2.39 -0.18 0.00 -0.22 0.00 0.00 54.13 56.13 1xsk s LEU 759 Cb 0.00 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1xsk s LEU 759 CO 0.00 -0.91 0.49 -0.69 -1.32 0.00 0.00 176.35 173.92 1xsk s VAL 760 N 3.35 5.05 -0.07 1.68 1.01 -0.41 0.13 120.40 131.14 1xsk s VAL 760 Ca 0.75 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.75 1xsk s VAL 760 Cb -0.37 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1xsk s VAL 760 CO 0.32 0.43 -0.15 -0.69 0.00 0.00 0.00 175.10 175.01 1xsk s VAL 761 N -0.13 1.33 -0.34 2.92 1.01 -0.06 -1.43 120.40 123.70 1xsk s VAL 761 Ca 0.26 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1xsk s VAL 761 Cb -0.16 -1.20 0.06 0.00 0.00 0.00 0.00 36.38 35.08 1xsk s VAL 761 CO 0.13 0.40 0.08 -0.75 0.00 0.00 0.00 175.10 174.96 1xsk s LYS 762 N 0.62 2.39 1.14 2.72 2.47 -1.14 -1.43 119.74 126.51 1xsk s LYS 762 Ca -0.15 -1.37 -0.12 0.00 -1.56 0.00 0.00 55.97 52.76 1xsk s LYS 762 Cb -0.16 -3.37 0.27 0.00 -1.46 0.00 0.00 37.83 33.11 1xsk s LYS 762 CO 0.05 -0.75 1.04 -1.25 0.16 0.00 0.00 175.35 174.60 1xsk s PRO 763 N 1.27 -0.73 -0.33 4.03 0.04 -1.26 -1.82 135.00 136.21 1xsk s PRO 763 Ca -0.01 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 61.98 1xsk s PRO 763 Cb -0.20 -1.56 0.19 0.00 0.04 0.00 0.00 34.50 32.96 1xsk s PRO 763 CO -0.01 -3.64 0.91 1.14 0.04 0.00 0.00 177.00 175.44 1xsk s GLN 764 N -4.45 0.33 0.00 4.56 -2.07 -0.33 -4.79 119.66 112.91 1xsk s GLN 764 Ca 0.68 0.05 0.00 0.00 -1.82 0.00 0.00 55.36 54.28 1xsk s GLN 764 Cb -0.25 0.08 0.00 0.00 -1.09 0.00 0.00 33.01 31.75 1xsk s GLN 764 CO 0.64 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 174.48 1xsk n GLY 765 N 4.51 0.09 3.18 2.60 0.00 -1.26 -4.39 105.19 109.91 1xsk n GLY 765 Ca 0.08 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.47 1xsk n GLY 765 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xsk s ASN 766 N -4.00 -1.44 0.00 1.61 2.47 -1.26 -4.95 114.94 107.37 1xsk s ASN 766 Ca 0.00 -0.62 0.00 0.00 0.42 0.00 0.00 52.86 52.66 1xsk s ASN 766 Cb 0.00 1.92 0.00 0.00 -1.45 0.00 0.00 41.25 41.72 1xsk s ASN 766 CO 0.00 -0.20 0.00 0.00 -3.72 0.00 0.00 177.10 173.18 1xsk n ALA 767 N 4.61 0.00 -0.65 1.71 0.00 -1.26 -5.09 120.51 119.83 1xsk n ALA 767 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.54 1xsk n ALA 767 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1xsk n ALA 767 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xsk n LEU 768 N 0.00 -0.12 -4.21 0.00 7.94 -1.24 -3.77 117.00 115.60 1xsk n LEU 768 Ca 0.00 0.01 -0.33 0.00 -1.11 0.00 0.00 56.01 54.58 1xsk n LEU 768 Cb 0.00 -0.06 -0.15 0.00 0.53 0.00 0.00 43.42 43.74 1xsk n LEU 768 CO 0.00 -0.04 -0.48 -0.89 -1.11 0.00 0.00 177.39 174.86 1xsk s THR 769 N -0.04 2.54 0.08 1.96 2.01 -1.09 -1.95 115.64 119.16 1xsk s THR 769 Ca 0.00 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.29 1xsk s THR 769 Cb -0.00 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1xsk s THR 769 CO 0.00 0.51 -0.16 0.27 -0.69 0.00 0.00 174.62 174.55 1xsk s ILE 770 N 1.11 2.96 -0.20 1.82 -5.25 -0.90 0.13 121.20 120.88 1xsk s ILE 770 Ca 0.00 -1.32 0.01 0.00 -0.99 0.00 0.00 60.65 58.35 1xsk s ILE 770 Cb -0.14 -2.32 0.04 0.00 2.95 0.00 0.00 42.46 42.98 1xsk s ILE 770 CO -0.05 0.19 -0.13 0.28 -1.79 0.00 0.00 174.94 173.44 1xsk s THR 771 N -1.08 1.78 0.70 8.37 -1.32 -0.25 -0.38 115.64 123.45 1xsk s THR 771 Ca 0.17 -1.02 -0.16 0.00 -1.21 0.00 0.00 61.69 59.48 1xsk s THR 771 Cb -0.11 -1.78 0.02 0.00 -1.51 0.00 0.00 72.50 69.13 1xsk s THR 771 CO 0.09 0.26 1.19 -0.76 -2.21 0.00 0.00 174.62 173.19 1xsk s LEU 772 N 1.35 3.38 0.00 9.08 1.43 -0.50 -0.53 118.68 132.90 1xsk s LEU 772 Ca -0.00 2.29 0.18 0.00 -1.03 0.00 0.00 54.13 55.57 1xsk s LEU 772 Cb -0.16 -4.58 1.08 0.00 0.03 0.00 0.00 46.19 42.56 1xsk s LEU 772 CO -0.09 -2.04 1.48 0.00 0.23 0.00 0.00 176.35 175.93