#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1c s LEU 2 N 0.00 0.46 -0.08 4.03 2.96 -1.26 -5.16 118.68 119.63 3h1c s LEU 2 Ca 0.00 0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 54.47 3h1c s LEU 2 Cb 0.00 0.94 0.04 0.00 0.50 0.00 0.00 46.19 47.66 3h1c s LEU 2 CO 0.00 -0.15 0.20 0.54 -1.32 0.00 0.00 176.35 175.62 3h1c s ASN 3 N 0.94 -0.20 0.46 3.68 4.22 -1.26 -5.15 114.94 117.63 3h1c s ASN 3 Ca -0.06 0.42 -0.06 0.00 -2.14 0.00 0.00 52.86 51.01 3h1c s ASN 3 Cb -0.07 0.35 -0.04 0.00 1.28 0.00 0.00 41.25 42.76 3h1c s ASN 3 CO -0.07 -0.13 0.78 -2.16 -2.04 0.00 0.00 177.10 173.48 3h1c s PRO 4 N 0.84 3.60 -0.24 3.55 0.04 -1.26 -4.62 135.00 136.91 3h1c s PRO 4 Ca -0.06 0.26 -0.03 0.00 0.04 0.00 0.00 61.00 61.21 3h1c s PRO 4 Cb -0.08 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 32.09 3h1c s PRO 4 CO -0.05 -0.15 -0.05 0.42 0.04 0.00 0.00 177.00 177.21 3h1c s ILE 5 N -2.64 3.09 -0.08 0.56 1.01 -0.99 -5.00 121.20 117.16 3h1c s ILE 5 Ca 0.48 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.33 3h1c s ILE 5 Cb -0.10 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3h1c s ILE 5 CO 0.41 0.27 -0.17 -0.69 0.00 0.00 0.00 174.94 174.76 3h1c s VAL 6 N 1.39 2.76 -0.06 2.92 1.01 -1.26 -2.83 120.40 124.32 3h1c s VAL 6 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3h1c s VAL 6 Cb -0.16 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3h1c s VAL 6 CO -0.04 0.56 -0.05 -0.60 0.00 0.00 0.00 175.10 174.97 3h1c s ARG 7 N -0.22 1.02 -0.05 2.72 3.52 -0.85 -5.01 118.95 120.09 3h1c s ARG 7 Ca -0.00 -0.14 0.05 0.00 -0.13 0.00 0.00 55.73 55.51 3h1c s ARG 7 Cb -0.13 -1.04 -0.02 0.00 -1.56 0.00 0.00 34.95 32.19 3h1c s ARG 7 CO 0.03 -0.12 -0.21 0.15 -0.81 0.00 0.00 175.30 174.35 3h1c s LYS 8 N 1.13 2.44 -0.05 5.12 1.02 -1.26 -1.64 119.74 126.50 3h1c s LYS 8 Ca -0.07 -0.82 -0.05 0.00 0.02 0.00 0.00 55.97 55.05 3h1c s LYS 8 Cb -0.14 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 3h1c s LYS 8 CO -0.01 0.52 0.13 -0.59 -0.92 0.00 0.00 175.35 174.49 3h1c s PHE 9 N -0.50 -0.14 -0.65 3.18 -0.71 -0.96 -5.02 117.98 113.18 3h1c s PHE 9 Ca 0.06 0.35 -0.26 0.00 -1.04 0.00 0.00 56.93 56.04 3h1c s PHE 9 Cb -0.11 0.05 0.04 0.00 -1.21 0.00 0.00 43.02 41.78 3h1c s PHE 9 CO 0.01 -0.07 1.16 -1.14 -1.34 0.00 0.00 175.22 173.83 3h1c s GLN 10 N 0.04 3.30 -0.69 1.99 0.74 -1.26 -1.88 119.66 121.90 3h1c s GLN 10 Ca -0.00 -0.17 -0.07 0.00 0.05 0.00 0.00 55.36 55.17 3h1c s GLN 10 Cb -0.01 -4.12 0.18 0.00 1.10 0.00 0.00 33.01 30.16 3h1c s GLN 10 CO 0.00 -1.86 0.55 -0.47 -0.55 0.00 0.00 175.29 172.96 3h1c s TYR 11 N 4.99 3.53 -1.06 1.67 5.04 0.48 -4.84 117.35 127.17 3h1c s TYR 11 Ca 0.35 -2.45 -0.09 0.00 -2.44 0.00 0.00 57.07 52.44 3h1c s TYR 11 Cb -0.10 -3.42 -0.05 0.00 0.35 0.00 0.00 41.96 38.74 3h1c s TYR 11 CO 0.18 -0.90 0.88 0.41 -1.34 0.00 0.00 175.55 174.79 3h1c n GLY 12 N 3.69 -1.14 2.52 8.97 0.00 -1.26 -3.11 105.19 114.86 3h1c n GLY 12 Ca 0.09 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3h1c n GLY 12 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3h1c n GLN 13 N -3.39 0.00 -4.31 1.61 -0.06 -1.26 -4.93 117.38 105.04 3h1c n GLN 13 Ca -0.07 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 54.69 3h1c n GLN 13 Cb 0.61 -1.53 -0.12 0.00 -4.06 0.00 0.00 30.24 25.14 3h1c n GLN 13 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 3h1c s HIS 14 N -3.11 1.85 -0.18 3.69 3.76 -1.18 -5.07 115.29 115.05 3h1c s HIS 14 Ca 0.00 -0.43 -0.06 0.00 -0.15 0.00 0.00 55.06 54.42 3h1c s HIS 14 Cb 0.00 -0.97 -0.03 0.00 1.11 0.00 0.00 32.58 32.68 3h1c s HIS 14 CO 0.00 0.27 0.02 0.99 -0.85 0.00 0.00 174.74 175.17 3h1c s THR 15 N -1.51 4.35 -0.19 1.30 2.01 -1.26 -0.38 115.64 119.96 3h1c s THR 15 Ca 0.11 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 3h1c s THR 15 Cb -0.08 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 3h1c s THR 15 CO 0.05 0.46 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.73 3h1c s VAL 16 N 0.50 3.76 -0.14 3.82 1.01 -0.79 -0.57 120.40 127.99 3h1c s VAL 16 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 3h1c s VAL 16 Cb -0.13 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3h1c s VAL 16 CO 0.02 0.45 -0.08 -0.89 0.00 0.00 0.00 175.10 174.60 3h1c s THR 17 N 0.86 3.51 -0.22 3.92 2.01 0.13 -2.28 115.64 123.58 3h1c s THR 17 Ca -0.00 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.51 3h1c s THR 17 Cb -0.14 -2.50 0.04 0.00 0.01 0.00 0.00 72.50 69.90 3h1c s THR 17 CO 0.02 0.51 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.56 3h1c s LEU 18 N 0.28 2.74 -0.11 4.42 1.43 -0.65 -1.31 118.68 125.47 3h1c s LEU 18 Ca -0.06 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.04 3h1c s LEU 18 Cb -0.15 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3h1c s LEU 18 CO 0.04 -0.12 -0.23 -1.61 0.23 0.00 0.00 176.35 174.67 3h1c s GLU 19 N 1.23 3.06 0.12 1.70 0.41 -0.60 -2.00 118.70 122.63 3h1c s GLU 19 Ca -0.02 -0.86 -0.10 0.00 -0.41 0.00 0.00 54.97 53.58 3h1c s GLU 19 Cb -0.17 -2.35 -0.00 0.00 -1.78 0.00 0.00 34.13 29.84 3h1c s GLU 19 CO -0.08 0.14 0.25 -0.08 -0.49 0.00 0.00 175.26 175.00 3h1c s THR 20 N 0.43 0.10 0.00 3.63 -1.32 -1.13 0.44 115.64 117.80 3h1c s THR 20 Ca -0.16 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 3h1c s THR 20 Cb -0.17 -1.52 0.00 0.00 -1.51 0.00 0.00 72.50 69.29 3h1c s THR 20 CO 0.07 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.62 3h1c n GLY 21 N -0.14 0.94 0.47 6.08 0.00 -1.26 -2.34 105.19 108.93 3h1c n GLY 21 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 3h1c n GLY 21 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3h1c n MET 22 N -2.00 0.33 -2.92 1.61 0.00 -1.26 -4.89 117.12 107.99 3h1c n MET 22 Ca 0.00 0.14 -0.38 0.00 0.00 0.00 0.00 57.70 57.46 3h1c n MET 22 Cb 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 33.22 32.08 3h1c n MET 22 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 3h1c s MET 23 N -2.49 4.54 -0.60 2.12 -1.94 -1.26 -4.39 119.30 115.27 3h1c s MET 23 Ca -0.19 1.18 -0.15 0.00 -1.71 0.00 0.00 55.69 54.82 3h1c s MET 23 Cb 0.04 -3.05 0.02 0.00 2.01 0.00 0.00 34.83 33.86 3h1c s MET 23 CO 0.27 0.44 0.64 0.00 -0.01 0.00 0.00 175.02 176.37 3h1c n ALA 24 N 1.09 -2.66 0.11 3.03 0.00 -1.26 -4.64 120.51 116.18 3h1c n ALA 24 Ca -0.02 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.74 3h1c n ALA 24 Cb 0.49 -2.14 0.05 0.00 0.00 0.00 0.00 19.45 17.85 3h1c n ALA 24 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h1c h ARG 25 N 1.13 0.00 0.00 0.00 2.43 -1.92 -3.27 114.38 112.75 3h1c h ARG 25 Ca -0.30 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.70 3h1c h ARG 25 Cb 1.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3h1c h ARG 25 CO 0.27 0.72 -0.81 1.96 -1.51 0.00 0.00 179.97 180.60 3h1c h GLN 26 N 0.00 0.02 -7.27 0.20 4.20 -1.97 -3.45 115.11 106.85 3h1c h GLN 26 Ca -0.01 -0.02 -0.51 0.00 0.06 0.00 0.00 58.65 58.18 3h1c h GLN 26 Cb 1.40 0.00 0.11 0.00 0.30 0.00 0.00 27.48 29.29 3h1c h GLN 26 CO 0.09 0.81 0.35 0.00 -0.67 0.00 0.00 178.83 179.42 3h1c s ALA 27 N -3.18 2.47 0.20 3.87 0.00 -1.23 -4.95 121.76 118.94 3h1c s ALA 27 Ca -0.00 0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.20 3h1c s ALA 27 Cb 0.11 -3.26 0.14 0.00 0.00 0.00 0.00 23.12 20.11 3h1c s ALA 27 CO 0.79 -1.37 1.81 1.15 0.00 0.00 0.00 175.76 178.14 3h1c h THR 28 N -0.46 1.23 -2.31 0.00 2.02 -1.79 -3.45 112.91 108.15 3h1c h THR 28 Ca -0.45 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.05 3h1c h THR 28 Cb 1.23 0.28 -0.21 0.00 -1.74 0.00 0.00 68.15 67.71 3h1c h THR 28 CO 0.54 0.26 0.01 0.00 0.37 0.00 0.00 175.52 176.70 3h1c s ALA 29 N -5.79 -1.46 -0.13 6.16 0.00 -0.97 -4.61 121.76 114.95 3h1c s ALA 29 Ca -0.13 1.38 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 3h1c s ALA 29 Cb 0.15 -0.53 0.06 0.00 0.00 0.00 0.00 23.12 22.80 3h1c s ALA 29 CO 0.80 -0.31 0.29 0.00 0.00 0.00 0.00 175.76 176.54 3h1c s ALA 30 N -0.38 -0.66 -0.08 0.00 0.00 -1.26 -0.90 121.76 118.48 3h1c s ALA 30 Ca -0.05 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.00 3h1c s ALA 30 Cb -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3h1c s ALA 30 CO 0.04 -0.50 -0.18 0.08 0.00 0.00 0.00 175.76 175.20 3h1c s VAL 31 N 2.04 1.55 -0.55 0.00 1.01 -0.81 -4.18 120.40 119.46 3h1c s VAL 31 Ca -0.03 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 3h1c s VAL 31 Cb -0.11 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 34.97 3h1c s VAL 31 CO -0.09 0.45 0.70 -0.32 0.00 0.00 0.00 175.10 175.83 3h1c s MET 32 N 0.49 3.10 -0.27 2.72 1.75 0.17 -2.79 119.30 124.48 3h1c s MET 32 Ca -0.16 -1.02 -0.09 0.00 -1.25 0.00 0.00 55.69 53.18 3h1c s MET 32 Cb -0.17 -4.17 -0.03 0.00 2.84 0.00 0.00 34.83 33.30 3h1c s MET 32 CO 0.06 -1.40 0.11 0.08 -0.65 0.00 0.00 175.02 173.22 3h1c s VAL 33 N 2.83 4.59 -0.07 10.11 1.01 -1.22 -1.56 120.40 136.09 3h1c s VAL 33 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3h1c s VAL 33 Cb -0.21 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.01 3h1c s VAL 33 CO 0.10 0.27 -0.04 -0.94 0.00 0.00 0.00 175.10 174.49 3h1c s SER 34 N 1.65 1.49 -0.15 3.32 1.04 -0.43 -1.84 113.70 118.78 3h1c s SER 34 Ca 0.06 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.34 3h1c s SER 34 Cb -0.16 -0.56 0.01 0.00 0.10 0.00 0.00 66.02 65.41 3h1c s SER 34 CO 0.06 -0.11 -0.19 -0.32 0.98 0.00 0.00 173.24 173.66 3h1c s MET 35 N 1.41 3.11 0.00 4.02 0.00 -1.02 0.23 119.30 127.05 3h1c s MET 35 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 55.69 54.86 3h1c s MET 35 Cb -0.13 -2.54 0.00 0.00 0.00 0.00 0.00 34.83 32.15 3h1c s MET 35 CO -0.03 -0.03 0.00 -3.47 0.00 0.00 0.00 175.02 171.49 3h1c n ASP 36 N 4.15 0.00 0.00 1.11 -0.08 0.26 -2.40 116.55 119.59 3h1c n ASP 36 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 3h1c n ASP 36 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 3h1c n ASP 36 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3h1c n ASP 37 N 1.67 0.00 -4.58 1.67 8.00 -1.26 -4.97 116.55 117.09 3h1c n ASP 37 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 3h1c n ASP 37 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.31 3h1c n ASP 37 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h1c s THR 38 N -1.00 2.13 -0.28 -3.53 2.01 -1.01 -4.65 115.64 109.32 3h1c s THR 38 Ca 0.00 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.83 3h1c s THR 38 Cb 0.00 -2.18 0.08 0.00 0.01 0.00 0.00 72.50 70.41 3h1c s THR 38 CO 0.00 -0.06 0.76 0.00 -0.69 0.00 0.00 174.62 174.63 3h1c s ALA 39 N -2.60 -1.86 -0.14 7.40 0.00 0.29 -2.42 121.76 122.41 3h1c s ALA 39 Ca 0.67 2.17 -0.01 0.00 0.00 0.00 0.00 51.96 54.79 3h1c s ALA 39 Cb -0.23 -1.33 0.04 0.00 0.00 0.00 0.00 23.12 21.60 3h1c s ALA 39 CO 0.61 -0.34 -0.03 0.08 0.00 0.00 0.00 175.76 176.09 3h1c s VAL 40 N 0.87 0.82 -0.47 0.00 1.01 -0.77 -1.89 120.40 119.97 3h1c s VAL 40 Ca -0.04 -0.41 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 3h1c s VAL 40 Cb -0.05 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.32 3h1c s VAL 40 CO -0.08 0.12 0.97 0.12 0.00 0.00 0.00 175.10 176.23 3h1c s PHE 41 N 1.76 2.89 -0.15 5.22 5.36 0.11 -3.41 117.98 129.76 3h1c s PHE 41 Ca 0.02 0.44 -0.03 0.00 -0.96 0.00 0.00 56.93 56.40 3h1c s PHE 41 Cb -0.15 -4.08 -0.02 0.00 -0.34 0.00 0.00 43.02 38.43 3h1c s PHE 41 CO -0.07 -1.15 -0.06 0.08 -1.46 0.00 0.00 175.22 172.55 3h1c s VAL 42 N 3.92 3.66 0.02 3.12 1.01 -1.12 -1.08 120.40 129.94 3h1c s VAL 42 Ca 0.39 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.99 3h1c s VAL 42 Cb -0.09 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3h1c s VAL 42 CO 0.27 0.50 -0.19 0.42 0.00 0.00 0.00 175.10 176.11 3h1c s THR 43 N 0.32 1.54 -0.10 3.92 -4.23 0.10 -1.92 115.64 115.28 3h1c s THR 43 Ca -0.06 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 3h1c s THR 43 Cb -0.15 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.39 3h1c s THR 43 CO 0.04 0.25 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.53 3h1c s VAL 44 N -0.68 1.41 -0.20 2.29 1.01 -0.08 -0.44 120.40 123.71 3h1c s VAL 44 Ca 0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3h1c s VAL 44 Cb -0.08 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.02 3h1c s VAL 44 CO 0.01 0.42 -0.13 -0.69 0.00 0.00 0.00 175.10 174.71 3h1c s VAL 45 N 0.88 2.58 -0.20 2.92 1.01 -0.68 -2.30 120.40 124.61 3h1c s VAL 45 Ca -0.09 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 3h1c s VAL 45 Cb -0.15 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 3h1c s VAL 45 CO 0.00 0.47 -0.09 -0.83 0.00 0.00 0.00 175.10 174.66 3h1c s GLY 46 N 1.36 1.55 0.17 4.51 0.00 -1.26 -1.94 107.32 111.72 3h1c s GLY 46 Ca 0.05 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.33 3h1c s GLY 46 CO -0.09 0.30 1.10 1.20 0.00 0.00 0.00 173.10 175.61 3h1c s GLN 47 N 1.27 4.59 0.03 2.90 -0.21 -0.98 -4.96 119.66 122.31 3h1c s GLN 47 Ca 0.03 1.70 -0.24 0.00 0.02 0.00 0.00 55.36 56.87 3h1c s GLN 47 Cb -0.14 -3.29 -0.18 0.00 1.00 0.00 0.00 33.01 30.41 3h1c s GLN 47 CO -0.04 0.07 1.47 -0.22 -2.12 0.00 0.00 175.29 174.46 3h1c h LYS 48 N 5.19 0.02 -6.10 2.91 1.63 -1.99 -3.43 116.57 114.79 3h1c h LYS 48 Ca -0.44 -0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 58.76 3h1c h LYS 48 Cb 1.21 -0.00 -0.27 0.00 -0.60 0.00 0.00 32.23 32.57 3h1c h LYS 48 CO 0.73 0.29 -0.85 -1.59 -3.45 0.00 0.00 179.45 174.58 3h1c s LYS 49 N -5.09 1.51 0.36 1.90 -2.85 -1.26 -5.05 119.74 109.26 3h1c s LYS 49 Ca -0.15 -0.88 0.04 0.00 -1.00 0.00 0.00 55.97 53.98 3h1c s LYS 49 Cb 0.04 -1.57 -0.01 0.00 -2.06 0.00 0.00 37.83 34.22 3h1c s LYS 49 CO 0.67 0.41 0.53 0.00 0.10 0.00 0.00 175.35 177.06 3h1c s ALA 50 N -0.69 4.01 0.21 0.59 0.00 -1.26 -4.90 121.76 119.71 3h1c s ALA 50 Ca 0.08 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 3h1c s ALA 50 Cb -0.09 -1.86 -0.10 0.00 0.00 0.00 0.00 23.12 21.07 3h1c s ALA 50 CO 0.01 -0.11 1.42 0.21 0.00 0.00 0.00 175.76 177.29 3h1c s LYS 51 N -4.28 4.30 0.61 0.00 2.47 -1.26 -4.92 119.74 116.66 3h1c s LYS 51 Ca 0.44 2.22 0.34 0.00 -1.56 0.00 0.00 55.97 57.42 3h1c s LYS 51 Cb -0.10 -3.15 2.00 0.00 -1.46 0.00 0.00 37.83 35.13 3h1c s LYS 51 CO 0.33 -0.40 2.29 -1.00 0.16 0.00 0.00 175.35 176.73 3h1c h PRO 52 N 5.49 0.00 -1.97 4.03 0.13 -2.03 -2.91 132.00 134.73 3h1c h PRO 52 Ca -0.45 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.92 3h1c h PRO 52 Cb 1.21 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 3h1c h PRO 52 CO 0.80 0.00 1.05 0.41 -0.23 0.00 0.00 178.00 180.03 3h1c n GLY 53 N -1.22 5.50 3.27 1.56 0.00 -1.26 -4.97 105.19 108.07 3h1c n GLY 53 Ca -0.03 -2.46 -0.23 0.00 0.00 0.00 0.00 46.02 43.30 3h1c n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h1c s GLN 54 N -4.01 1.08 0.00 1.61 -1.52 -1.10 -5.04 119.66 110.67 3h1c s GLN 54 Ca 0.53 -1.13 0.00 0.00 -1.95 0.00 0.00 55.36 52.80 3h1c s GLN 54 Cb 0.44 -1.31 0.00 0.00 -0.22 0.00 0.00 33.01 31.92 3h1c s GLN 54 CO -0.40 0.30 0.00 -0.40 -0.25 0.00 0.00 175.29 174.54 3h1c n ASP 55 N 1.12 0.85 -4.92 5.90 5.75 -1.26 -5.00 116.55 118.98 3h1c n ASP 55 Ca -0.20 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.30 3h1c n ASP 55 Cb 0.54 0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.62 3h1c n ASP 55 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3h1c s PHE 56 N -1.20 3.48 -0.36 2.11 -0.12 -1.26 -4.96 117.98 115.67 3h1c s PHE 56 Ca 0.00 0.46 -0.25 0.00 -0.05 0.00 0.00 56.93 57.09 3h1c s PHE 56 Cb 0.00 -1.95 0.01 0.00 -0.63 0.00 0.00 43.02 40.45 3h1c s PHE 56 CO 0.00 0.30 0.86 0.12 -0.05 0.00 0.00 175.22 176.45 3h1c s PHE 57 N -1.95 3.11 -0.48 3.49 5.36 -1.26 -4.86 117.98 121.39 3h1c s PHE 57 Ca 0.41 0.70 -0.22 0.00 -0.96 0.00 0.00 56.93 56.86 3h1c s PHE 57 Cb -0.11 -3.50 0.04 0.00 -0.34 0.00 0.00 43.02 39.11 3h1c s PHE 57 CO 0.29 -0.76 0.75 -1.25 -1.46 0.00 0.00 175.22 172.79 3h1c s PRO 58 N 3.27 3.28 -0.24 10.12 0.04 -1.26 -5.02 135.00 145.18 3h1c s PRO 58 Ca 0.35 -0.40 0.03 0.00 0.04 0.00 0.00 61.00 61.01 3h1c s PRO 58 Cb -0.13 -4.01 0.05 0.00 0.04 0.00 0.00 34.50 30.46 3h1c s PRO 58 CO 0.17 -1.20 -0.13 -1.17 0.04 0.00 0.00 177.00 174.71 3h1c s LEU 59 N 3.16 3.19 -0.18 -3.56 2.96 -1.26 -3.29 118.68 119.69 3h1c s LEU 59 Ca 0.24 -1.25 -0.00 0.00 -0.22 0.00 0.00 54.13 52.90 3h1c s LEU 59 Cb -0.14 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.02 3h1c s LEU 59 CO 0.18 -0.15 -0.15 0.28 -1.32 0.00 0.00 176.35 175.19 3h1c s THR 60 N 1.14 2.48 -0.20 3.68 -1.32 -1.21 -5.09 115.64 115.11 3h1c s THR 60 Ca -0.06 -0.80 -0.02 0.00 -1.21 0.00 0.00 61.69 59.59 3h1c s THR 60 Cb -0.19 -2.07 -0.00 0.00 -1.51 0.00 0.00 72.50 68.74 3h1c s THR 60 CO -0.07 0.51 -0.09 -0.69 -2.21 0.00 0.00 174.62 172.07 3h1c s VAL 61 N 1.25 2.97 -0.30 5.08 1.01 -1.26 -2.27 120.40 126.88 3h1c s VAL 61 Ca 0.03 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3h1c s VAL 61 Cb -0.14 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.93 3h1c s VAL 61 CO -0.08 0.46 0.08 0.20 0.00 0.00 0.00 175.10 175.76 3h1c s ASN 62 N 1.38 5.13 -0.15 3.32 0.01 -0.49 -4.93 114.94 119.20 3h1c s ASN 62 Ca 0.05 -0.77 -0.01 0.00 -0.71 0.00 0.00 52.86 51.42 3h1c s ASN 62 Cb -0.14 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.63 3h1c s ASN 62 CO -0.06 -0.21 -0.11 -0.47 -1.51 0.00 0.00 177.10 174.75 3h1c s TYR 63 N 1.48 2.86 -0.04 2.20 5.04 -1.26 -0.61 117.35 127.03 3h1c s TYR 63 Ca 0.02 -0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 53.92 3h1c s TYR 63 Cb -0.17 -1.91 0.03 0.00 0.35 0.00 0.00 41.96 40.25 3h1c s TYR 63 CO 0.02 -0.29 0.08 -0.65 -1.34 0.00 0.00 175.55 173.38 3h1c s GLN 64 N 0.62 0.04 -0.43 4.97 -0.21 -0.86 -4.80 119.66 118.99 3h1c s GLN 64 Ca -0.06 0.24 -0.17 0.00 0.02 0.00 0.00 55.36 55.39 3h1c s GLN 64 Cb -0.15 -0.16 0.03 0.00 1.00 0.00 0.00 33.01 33.73 3h1c s GLN 64 CO 0.03 -0.13 0.42 -1.21 -2.12 0.00 0.00 175.29 172.27 3h1c s GLU 65 N 0.89 3.06 0.26 2.91 2.02 -1.26 -2.19 118.70 124.38 3h1c s GLU 65 Ca -0.07 -0.89 -0.30 0.00 0.02 0.00 0.00 54.97 53.73 3h1c s GLU 65 Cb -0.10 -4.00 -0.09 0.00 0.10 0.00 0.00 34.13 30.04 3h1c s GLU 65 CO -0.03 -0.89 1.10 1.03 0.02 0.00 0.00 175.26 176.49 3h1c s ARG 66 N 2.03 4.64 0.46 1.61 1.81 -1.20 -4.96 118.95 123.34 3h1c s ARG 66 Ca 0.10 1.78 0.26 0.00 -1.72 0.00 0.00 55.73 56.15 3h1c s ARG 66 Cb -0.18 -3.21 0.99 0.00 -0.45 0.00 0.00 34.95 32.10 3h1c s ARG 66 CO 0.12 0.19 1.85 1.79 -0.68 0.00 0.00 175.30 178.57 3h1c h THR 67 N 3.22 0.41 0.00 0.02 1.35 -1.88 -2.90 112.91 113.12 3h1c h THR 67 Ca -0.46 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 3h1c h THR 67 Cb 1.21 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 3h1c h THR 67 CO 0.68 0.16 0.00 0.00 -0.25 0.00 0.00 175.52 176.12 3h1c n TYR 68 N -3.31 0.00 0.04 4.73 4.11 -1.26 -3.26 117.16 118.21 3h1c n TYR 68 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.87 3h1c n TYR 68 Cb 0.41 -0.17 0.20 0.00 -0.00 0.00 0.00 39.34 39.78 3h1c n TYR 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3h1c h ALA 69 N 3.20 1.08 0.00 -3.48 0.00 -1.64 -3.24 119.26 115.17 3h1c h ALA 69 Ca 0.00 -0.38 -0.35 0.00 0.00 0.00 0.00 54.91 54.18 3h1c h ALA 69 Cb 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3h1c h ALA 69 CO 0.00 0.57 -2.21 0.00 0.00 0.00 0.00 179.25 177.62 3h1c n ALA 70 N -2.48 1.48 0.00 0.00 0.00 -1.21 -1.91 120.51 116.38 3h1c n ALA 70 Ca -0.01 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.27 3h1c n ALA 70 Cb 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3h1c n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1c n GLY 71 N 1.74 0.96 2.91 0.00 0.00 -1.22 -5.03 105.19 104.55 3h1c n GLY 71 Ca -0.30 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 3h1c n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1c s ARG 72 N 0.08 0.30 0.03 1.61 0.52 -1.20 -5.06 118.95 115.23 3h1c s ARG 72 Ca 0.00 -0.10 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 3h1c s ARG 72 Cb 0.00 -0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.12 3h1c s ARG 72 CO 0.00 0.05 1.05 0.42 0.02 0.00 0.00 175.30 176.83 3h1c s ILE 73 N 0.08 4.57 0.28 1.52 1.01 -1.26 -4.31 121.20 123.09 3h1c s ILE 73 Ca -0.00 1.86 -0.26 0.00 0.00 0.00 0.00 60.65 62.25 3h1c s ILE 73 Cb -0.03 -4.19 -0.15 0.00 0.01 0.00 0.00 42.46 38.09 3h1c s ILE 73 CO -0.00 0.16 0.62 -2.65 0.00 0.00 0.00 174.94 173.07 3h1c n PRO 74 N 3.81 0.48 0.00 2.79 -0.02 -1.26 -4.88 135.00 135.92 3h1c n PRO 74 Ca 0.07 0.17 0.15 0.00 -2.02 0.00 0.00 63.50 61.87 3h1c n PRO 74 Cb 0.49 -1.33 0.85 0.00 -0.02 0.00 0.00 33.50 33.50 3h1c n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1c n GLY 75 N 1.77 -0.99 3.80 -1.23 0.00 -1.26 -4.68 105.19 102.60 3h1c n GLY 75 Ca 0.14 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3h1c n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1c s SER 76 N -2.17 4.32 0.16 1.61 0.01 -1.26 -4.99 113.70 111.38 3h1c s SER 76 Ca 0.41 1.25 -0.10 0.00 1.31 0.00 0.00 55.95 58.82 3h1c s SER 76 Cb 0.21 -1.95 0.01 0.00 0.21 0.00 0.00 66.02 64.50 3h1c s SER 76 CO 0.40 -2.07 1.53 0.15 0.41 0.00 0.00 173.24 173.65 3h1c h PHE 77 N -1.16 1.12 -0.00 2.43 3.04 -1.95 -3.01 116.94 117.41 3h1c h PHE 77 Ca -0.48 -0.29 0.00 0.00 3.98 0.00 0.00 57.97 61.18 3h1c h PHE 77 Cb 1.28 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.54 3h1c h PHE 77 CO 0.43 1.12 -0.15 1.19 -2.02 0.00 0.00 178.31 178.88 3h1c n PHE 78 N -4.09 0.00 -3.47 0.41 3.01 -1.26 -4.94 117.46 107.12 3h1c n PHE 78 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.20 3h1c n PHE 78 Cb 0.49 -0.35 0.05 0.00 -0.01 0.00 0.00 39.48 39.66 3h1c n PHE 78 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3h1c n ARG 79 N -1.35 -6.05 -3.92 -1.08 5.12 -1.14 -4.99 116.66 103.25 3h1c n ARG 79 Ca 0.09 0.77 -0.10 0.00 -1.93 0.00 0.00 57.85 56.68 3h1c n ARG 79 Cb 0.32 -5.70 -0.11 0.00 -1.16 0.00 0.00 32.46 25.81 3h1c n ARG 79 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3h1c s ARG 80 N -6.17 0.35 0.45 5.56 3.52 -1.26 -4.67 118.95 116.74 3h1c s ARG 80 Ca 0.50 -0.44 0.04 0.00 -0.13 0.00 0.00 55.73 55.70 3h1c s ARG 80 Cb -0.23 0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.31 3h1c s ARG 80 CO 0.62 -0.07 0.64 -1.21 -0.81 0.00 0.00 175.30 174.46 3h1c s GLU 81 N -1.25 2.82 0.00 5.12 8.01 -1.26 -4.82 118.70 127.33 3h1c s GLU 81 Ca -0.14 -0.92 0.00 0.00 0.01 0.00 0.00 54.97 53.92 3h1c s GLU 81 Cb -0.08 -2.65 0.00 0.00 -4.31 0.00 0.00 34.13 27.09 3h1c s GLU 81 CO 0.00 -0.36 0.00 0.41 0.01 0.00 0.00 175.26 175.32 3h1c n GLY 82 N -2.02 1.57 2.73 -1.39 0.00 -1.26 -5.09 105.19 99.74 3h1c n GLY 82 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3h1c n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h1c s ARG 83 N -0.01 0.71 -0.02 1.61 3.52 -1.26 -5.11 118.95 118.38 3h1c s ARG 83 Ca 0.00 -1.00 -0.35 0.00 -0.13 0.00 0.00 55.73 54.25 3h1c s ARG 83 Cb 0.00 -1.98 -0.13 0.00 -1.56 0.00 0.00 34.95 31.28 3h1c s ARG 83 CO 0.00 -0.95 1.76 -0.35 -0.81 0.00 0.00 175.30 174.94 3h1c n PRO 84 N 4.87 2.04 -1.34 5.12 -0.04 -1.26 -4.91 135.00 139.48 3h1c n PRO 84 Ca -0.03 0.74 -0.31 0.00 -0.04 0.00 0.00 63.50 63.86 3h1c n PRO 84 Cb 0.42 -2.54 0.08 0.00 -0.04 0.00 0.00 33.50 31.42 3h1c n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3h1c s SER 85 N 2.94 4.68 0.37 3.54 0.15 -1.26 -4.89 113.70 119.24 3h1c s SER 85 Ca 0.89 1.75 0.06 0.00 0.70 0.00 0.00 55.95 59.35 3h1c s SER 85 Cb -0.73 -2.50 0.72 0.00 -1.71 0.00 0.00 66.02 61.81 3h1c s SER 85 CO 0.49 -1.91 1.94 -0.08 1.20 0.00 0.00 173.24 174.87 3h1c h GLU 86 N -1.04 0.45 -0.02 5.44 4.81 -2.01 -2.23 114.58 119.99 3h1c h GLU 86 Ca -0.44 -0.08 -0.25 0.00 -0.13 0.00 0.00 59.36 58.46 3h1c h GLU 86 Cb 1.23 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 30.55 3h1c h GLU 86 CO 0.53 0.45 -0.97 0.78 -0.73 0.00 0.00 179.01 179.07 3h1c h GLY 87 N 0.72 0.77 1.84 1.92 0.00 -2.01 -3.32 103.07 102.99 3h1c h GLY 87 Ca 0.10 -1.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.10 3h1c h GLY 87 CO 0.00 1.16 0.01 0.83 0.00 0.00 0.00 176.54 178.54 3h1c h GLU 88 N 0.37 0.21 0.00 4.80 5.08 -1.83 -2.03 114.58 121.18 3h1c h GLU 88 Ca -0.12 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 3h1c h GLU 88 Cb 1.63 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 3h1c h GLU 88 CO 0.19 0.23 -0.47 1.15 -1.00 0.00 0.00 179.01 179.11 3h1c h THR 89 N 0.21 1.12 -0.16 1.13 2.02 -1.51 -2.88 112.91 112.84 3h1c h THR 89 Ca 0.05 -1.74 -0.10 0.00 0.77 0.00 0.00 66.41 65.39 3h1c h THR 89 Cb 0.14 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3h1c h THR 89 CO 0.00 0.46 -0.28 -0.07 0.37 0.00 0.00 175.52 176.00 3h1c h LEU 90 N 0.00 0.53 -1.07 2.58 3.38 -1.46 -2.24 115.31 117.03 3h1c h LEU 90 Ca -0.00 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 3h1c h LEU 90 Cb 0.97 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3h1c h LEU 90 CO 0.06 0.97 -0.20 0.40 0.09 0.00 0.00 178.44 179.76 3h1c h ILE 91 N 0.11 1.24 -0.48 1.22 5.03 -1.58 0.66 117.51 123.70 3h1c h ILE 91 Ca 0.01 -1.13 -0.00 0.00 -0.12 0.00 0.00 64.86 63.62 3h1c h ILE 91 Cb 0.87 1.29 -0.02 0.00 -3.03 0.00 0.00 36.82 35.93 3h1c h ILE 91 CO 0.06 0.36 0.28 0.00 -0.68 0.00 0.00 178.15 178.17 3h1c h ALA 92 N 1.41 1.59 0.01 1.87 0.00 -1.44 -0.95 119.26 121.76 3h1c h ALA 92 Ca 0.06 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 3h1c h ALA 92 Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3h1c h ALA 92 CO 0.04 0.35 -0.92 0.00 0.00 0.00 0.00 179.25 178.72 3h1c h ARG 93 N 0.66 0.05 0.00 0.00 3.08 -0.76 -2.22 114.38 115.19 3h1c h ARG 93 Ca 0.17 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3h1c h ARG 93 Cb -0.01 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3h1c h ARG 93 CO -0.03 0.93 0.00 -0.07 -1.07 0.00 0.00 179.97 179.73 3h1c h LEU 94 N 0.02 0.00 0.04 3.04 4.07 0.01 -2.57 115.31 119.92 3h1c h LEU 94 Ca -0.02 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.55 3h1c h LEU 94 Cb 1.60 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.29 3h1c h LEU 94 CO 0.13 0.00 -2.29 -0.38 -1.08 0.00 0.00 178.44 174.82 3h1c n ILE 95 N -2.98 1.58 -0.06 1.22 5.41 -0.45 -4.55 119.36 119.54 3h1c n ILE 95 Ca 0.00 -0.56 -0.11 0.00 1.00 0.00 0.00 62.75 63.08 3h1c n ILE 95 Cb 0.26 -1.58 0.02 0.00 -0.71 0.00 0.00 39.64 37.63 3h1c n ILE 95 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 3h1c h ASP 96 N -0.11 0.82 -0.25 4.38 3.58 -1.38 -3.29 116.42 120.17 3h1c h ASP 96 Ca -0.53 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 56.45 3h1c h ASP 96 Cb 1.89 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.70 3h1c h ASP 96 CO -0.07 1.15 -0.11 -0.09 -2.88 0.00 0.00 179.24 177.24 3h1c h ARG 97 N 0.60 0.51 0.00 0.28 2.43 -1.71 -2.75 114.38 113.74 3h1c h ARG 97 Ca 0.03 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 3h1c h ARG 97 Cb 1.03 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3h1c h ARG 97 CO 0.10 0.77 -0.33 -1.00 -1.51 0.00 0.00 179.97 178.00 3h1c h PRO 98 N 0.24 0.00 0.00 0.20 0.13 -1.80 -3.30 132.00 127.46 3h1c h PRO 98 Ca 0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 3h1c h PRO 98 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 3h1c h PRO 98 CO 0.03 0.33 -0.85 -0.84 -0.23 0.00 0.00 178.00 176.45 3h1c h ILE 99 N 0.00 0.17 -0.22 -3.56 3.07 -1.62 -3.40 117.51 111.95 3h1c h ILE 99 Ca -0.00 -1.29 -0.02 0.00 1.55 0.00 0.00 64.86 65.09 3h1c h ILE 99 Cb 0.95 1.77 -0.01 0.00 -0.27 0.00 0.00 36.82 39.26 3h1c h ILE 99 CO 0.04 0.09 0.04 -0.09 -1.05 0.00 0.00 178.15 177.19 3h1c h ARG 100 N 0.00 0.36 0.00 0.16 2.43 -1.57 -3.08 114.38 112.68 3h1c h ARG 100 Ca -0.03 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3h1c h ARG 100 Cb 1.14 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3h1c h ARG 100 CO 0.01 0.49 0.00 -2.30 -1.51 0.00 0.00 179.97 176.67 3h1c n PRO 101 N -4.73 0.42 0.11 0.20 -0.02 -1.26 -3.06 135.00 126.66 3h1c n PRO 101 Ca -0.04 0.06 0.04 0.00 -2.02 0.00 0.00 63.50 61.54 3h1c n PRO 101 Cb 0.19 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.17 3h1c n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h1c h LEU 102 N 0.00 0.00 -9.65 2.45 3.38 -1.77 -3.46 115.31 106.26 3h1c h LEU 102 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3h1c h LEU 102 Cb 0.15 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.94 3h1c h LEU 102 CO 0.00 0.43 0.71 -0.36 0.09 0.00 0.00 178.44 179.31 3h1c s PHE 103 N -3.01 3.19 0.60 1.13 0.40 -1.17 -2.81 117.98 116.30 3h1c s PHE 103 Ca 0.02 1.06 -0.20 0.00 -0.60 0.00 0.00 56.93 57.21 3h1c s PHE 103 Cb 0.08 -3.70 -0.03 0.00 0.51 0.00 0.00 43.02 39.88 3h1c s PHE 103 CO 0.76 -2.31 1.33 -1.25 0.70 0.00 0.00 175.22 174.45 3h1c s PRO 104 N 0.27 2.84 -0.47 0.24 0.04 -1.26 -4.88 135.00 131.78 3h1c s PRO 104 Ca 0.60 2.15 -0.27 0.00 0.04 0.00 0.00 61.00 63.52 3h1c s PRO 104 Cb -0.38 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 3h1c s PRO 104 CO 0.36 -1.40 1.87 -2.00 0.04 0.00 0.00 177.00 175.88 3h1c s GLU 105 N -3.15 2.92 0.00 4.56 2.12 -1.26 -2.34 118.70 121.56 3h1c s GLU 105 Ca 0.77 1.06 0.00 0.00 0.36 0.00 0.00 54.97 57.16 3h1c s GLU 105 Cb -0.39 -4.31 0.00 0.00 0.26 0.00 0.00 34.13 29.69 3h1c s GLU 105 CO 0.44 -2.36 0.00 0.41 -0.54 0.00 0.00 175.26 173.21 3h1c n GLY 106 N 5.59 0.57 3.64 -1.50 0.00 -1.26 -4.95 105.19 107.27 3h1c n GLY 106 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3h1c n GLY 106 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h1c s PHE 107 N -1.03 3.10 -0.24 1.61 5.36 -0.99 -4.88 117.98 120.91 3h1c s PHE 107 Ca 0.00 1.18 0.05 0.00 -0.96 0.00 0.00 56.93 57.20 3h1c s PHE 107 Cb 0.00 -3.66 -0.06 0.00 -0.34 0.00 0.00 43.02 38.97 3h1c s PHE 107 CO 0.00 -0.91 0.22 0.28 -1.46 0.00 0.00 175.22 173.35 3h1c n VAL 108 N 5.81 0.00 -2.01 3.12 0.31 -1.26 -4.51 118.33 119.80 3h1c n VAL 108 Ca 0.12 -0.37 -0.41 0.00 -0.01 0.00 0.00 64.34 63.67 3h1c n VAL 108 Cb 0.47 0.99 -0.02 0.00 -0.91 0.00 0.00 33.84 34.37 3h1c n VAL 108 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3h1c s ASN 109 N -1.51 6.64 0.04 4.52 0.01 -1.26 -4.50 114.94 118.88 3h1c s ASN 109 Ca 0.02 2.73 -0.30 0.00 -0.71 0.00 0.00 52.86 54.60 3h1c s ASN 109 Cb 0.04 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 3h1c s ASN 109 CO 0.21 -0.68 1.16 -0.70 -1.51 0.00 0.00 177.10 175.59 3h1c s GLU 110 N -1.07 4.44 -0.00 -0.60 2.12 -1.26 -4.70 118.70 117.63 3h1c s GLU 110 Ca 0.55 1.70 0.04 0.00 0.36 0.00 0.00 54.97 57.62 3h1c s GLU 110 Cb -0.42 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.57 3h1c s GLU 110 CO 0.49 -0.25 -0.13 0.14 -0.54 0.00 0.00 175.26 174.98 3h1c s VAL 111 N 1.20 1.00 -0.08 3.70 -7.23 -1.21 -2.31 120.40 115.47 3h1c s VAL 111 Ca 0.57 -0.62 0.02 0.00 -1.81 0.00 0.00 61.98 60.15 3h1c s VAL 111 Cb -0.28 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 35.83 3h1c s VAL 111 CO 0.28 0.22 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.58 3h1c s GLN 112 N -0.45 1.87 -0.39 4.82 0.74 -0.82 -3.31 119.66 122.13 3h1c s GLN 112 Ca 0.04 -0.46 -0.05 0.00 0.05 0.00 0.00 55.36 54.94 3h1c s GLN 112 Cb -0.05 -1.56 0.08 0.00 1.10 0.00 0.00 33.01 32.58 3h1c s GLN 112 CO -0.00 0.00 0.18 0.08 -0.55 0.00 0.00 175.29 175.00 3h1c s VAL 113 N 0.77 3.62 -0.30 1.34 1.01 -0.96 -1.69 120.40 124.18 3h1c s VAL 113 Ca -0.12 -1.61 -0.10 0.00 0.00 0.00 0.00 61.98 60.14 3h1c s VAL 113 Cb -0.16 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3h1c s VAL 113 CO 0.02 -0.47 0.16 -0.63 0.00 0.00 0.00 175.10 174.18 3h1c s ILE 114 N 1.29 4.84 -0.11 2.22 1.01 0.41 -1.40 121.20 129.47 3h1c s ILE 114 Ca 0.03 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.51 3h1c s ILE 114 Cb -0.22 -3.40 -0.00 0.00 0.01 0.00 0.00 42.46 38.85 3h1c s ILE 114 CO -0.01 0.15 -0.21 0.00 0.00 0.00 0.00 174.94 174.87 3h1c s ALA 115 N 1.67 2.28 -0.04 9.38 0.00 0.23 0.02 121.76 135.29 3h1c s ALA 115 Ca 0.06 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3h1c s ALA 115 Cb -0.16 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.05 3h1c s ALA 115 CO 0.08 0.26 -0.08 -0.08 0.00 0.00 0.00 175.76 175.93 3h1c s THR 116 N 0.38 0.78 -0.10 0.00 -1.32 -0.24 -2.02 115.64 113.12 3h1c s THR 116 Ca -0.16 -0.31 -0.28 0.00 -1.21 0.00 0.00 61.69 59.73 3h1c s THR 116 Cb -0.17 -0.73 -0.02 0.00 -1.51 0.00 0.00 72.50 70.07 3h1c s THR 116 CO 0.08 0.26 0.94 -0.69 -2.21 0.00 0.00 174.62 173.00 3h1c s VAL 117 N 0.53 4.84 -0.07 5.08 1.01 -0.93 0.06 120.40 130.93 3h1c s VAL 117 Ca -0.09 1.91 0.09 0.00 0.00 0.00 0.00 61.98 63.89 3h1c s VAL 117 Cb -0.12 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 31.88 3h1c s VAL 117 CO 0.01 0.05 0.09 0.55 0.00 0.00 0.00 175.10 175.81 3h1c n VAL 118 N 4.42 0.44 -3.77 2.92 3.14 -0.79 -3.24 118.33 121.45 3h1c n VAL 118 Ca 0.07 -0.34 -0.13 0.00 -2.96 0.00 0.00 64.34 60.97 3h1c n VAL 118 Cb 0.49 -0.44 -0.10 0.00 -1.06 0.00 0.00 33.84 32.74 3h1c n VAL 118 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3h1c s SER 119 N -3.84 -0.23 -0.01 6.55 1.04 -1.17 -4.00 113.70 112.03 3h1c s SER 119 Ca -0.04 0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.65 3h1c s SER 119 Cb 0.04 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 3h1c s SER 119 CO 0.39 -0.32 0.04 0.54 0.98 0.00 0.00 173.24 174.87 3h1c s VAL 120 N -0.77 0.03 -0.16 5.02 0.11 -0.80 -0.55 120.40 123.28 3h1c s VAL 120 Ca -0.09 -0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 3h1c s VAL 120 Cb -0.04 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 3h1c s VAL 120 CO 0.03 -0.13 -0.02 0.21 -3.33 0.00 0.00 175.10 171.86 3h1c s ASN 121 N -0.39 4.94 0.13 3.54 2.47 -1.26 -4.71 114.94 119.66 3h1c s ASN 121 Ca -0.04 -0.09 0.07 0.00 0.42 0.00 0.00 52.86 53.21 3h1c s ASN 121 Cb -0.03 -1.82 0.36 0.00 -1.45 0.00 0.00 41.25 38.32 3h1c s ASN 121 CO -0.00 0.17 1.11 -2.65 -3.72 0.00 0.00 177.10 172.00 3h1c n PRO 122 N 3.56 0.04 -0.08 0.43 -0.02 -1.26 -1.69 135.00 135.98 3h1c n PRO 122 Ca -0.17 0.47 -0.08 0.00 -2.02 0.00 0.00 63.50 61.70 3h1c n PRO 122 Cb 0.52 -1.79 -0.12 0.00 -0.02 0.00 0.00 33.50 32.09 3h1c n PRO 122 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3h1c n GLN 123 N -1.68 1.43 -3.67 -0.52 1.13 -1.26 -4.61 117.38 108.20 3h1c n GLN 123 Ca -0.00 -0.01 -0.36 0.00 -1.94 0.00 0.00 57.00 54.69 3h1c n GLN 123 Cb 0.15 -1.40 -0.09 0.00 0.11 0.00 0.00 30.24 29.02 3h1c n GLN 123 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3h1c s VAL 124 N -2.38 5.37 -0.20 5.09 1.01 -0.68 -2.95 120.40 125.66 3h1c s VAL 124 Ca -0.08 0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 3h1c s VAL 124 Cb 0.05 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3h1c s VAL 124 CO 0.64 0.38 0.68 0.21 0.00 0.00 0.00 175.10 177.01 3h1c s ASN 125 N 0.74 6.73 0.00 3.32 3.84 -1.26 -4.35 114.94 123.95 3h1c s ASN 125 Ca 0.09 0.89 0.16 0.00 0.21 0.00 0.00 52.86 54.21 3h1c s ASN 125 Cb -0.12 -2.37 0.97 0.00 -0.55 0.00 0.00 41.25 39.17 3h1c s ASN 125 CO 0.02 -0.33 1.42 -0.81 -2.79 0.00 0.00 177.10 174.61 3h1c n PRO 126 N 5.24 0.68 -0.18 0.43 -0.04 -1.26 -3.79 135.00 136.09 3h1c n PRO 126 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 3h1c n PRO 126 Cb 0.49 -1.37 0.01 0.00 -0.04 0.00 0.00 33.50 32.59 3h1c n PRO 126 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3h1c h ASP 127 N 0.00 1.00 1.24 3.54 2.03 -2.00 -1.90 116.42 120.34 3h1c h ASP 127 Ca 0.00 -0.36 -0.04 0.00 -0.73 0.00 0.00 57.03 55.90 3h1c h ASP 127 Cb 0.00 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.22 3h1c h ASP 127 CO 0.00 1.13 -0.78 0.16 -1.03 0.00 0.00 179.24 178.73 3h1c h ILE 128 N 0.86 0.18 -0.27 4.15 -0.00 -1.98 -3.18 117.51 117.27 3h1c h ILE 128 Ca 0.13 -1.31 -0.15 0.00 -0.00 0.00 0.00 64.86 63.53 3h1c h ILE 128 Cb 0.70 1.82 -0.01 0.00 -0.00 0.00 0.00 36.82 39.33 3h1c h ILE 128 CO 0.05 0.10 -0.45 0.58 -0.00 0.00 0.00 178.15 178.43 3h1c h VAL 129 N 0.00 1.29 -0.01 0.16 2.07 -1.71 -2.57 116.25 115.48 3h1c h VAL 129 Ca -0.03 -1.64 -0.13 0.00 0.82 0.00 0.00 66.70 65.72 3h1c h VAL 129 Cb 1.15 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3h1c h VAL 129 CO 0.02 0.53 -0.60 0.00 0.02 0.00 0.00 177.57 177.53 3h1c h ALA 130 N 0.93 0.98 -0.17 1.67 0.00 -1.43 -2.30 119.26 118.93 3h1c h ALA 130 Ca 0.03 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 3h1c h ALA 130 Cb 1.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3h1c h ALA 130 CO 0.09 0.75 -0.51 0.52 0.00 0.00 0.00 179.25 180.10 3h1c h MET 131 N 0.03 0.46 -0.25 0.00 2.86 -1.51 -1.76 114.93 114.77 3h1c h MET 131 Ca -0.01 -0.27 -0.18 0.00 -2.06 0.00 0.00 59.70 57.18 3h1c h MET 131 Cb 1.08 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 3h1c h MET 131 CO 0.08 0.87 -0.55 0.82 1.06 0.00 0.00 176.91 179.19 3h1c h ILE 132 N 0.36 1.29 -0.83 -1.22 2.04 -1.43 -2.59 117.51 115.13 3h1c h ILE 132 Ca 0.01 -1.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.09 3h1c h ILE 132 Cb 1.03 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 3h1c h ILE 132 CO 0.09 0.56 0.41 1.23 0.00 0.00 0.00 178.15 180.45 3h1c h GLY 133 N 0.84 1.28 1.74 5.37 0.00 -1.24 -0.19 103.07 110.87 3h1c h GLY 133 Ca 0.01 -0.62 -0.16 0.00 0.00 0.00 0.00 47.33 46.56 3h1c h GLY 133 CO 0.12 0.59 -0.68 0.00 0.00 0.00 0.00 176.54 176.57 3h1c h ALA 134 N 1.22 0.74 -0.31 3.60 0.00 -1.37 -2.19 119.26 120.95 3h1c h ALA 134 Ca 0.29 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3h1c h ALA 134 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3h1c h ALA 134 CO -0.04 0.77 -0.36 1.03 0.00 0.00 0.00 179.25 180.65 3h1c h SER 135 N 0.18 0.75 -0.05 0.00 0.87 -1.09 -2.44 113.55 111.77 3h1c h SER 135 Ca -0.02 -0.32 -0.21 0.00 -1.23 0.00 0.00 61.79 60.01 3h1c h SER 135 Cb 1.22 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.99 3h1c h SER 135 CO 0.11 1.04 -0.79 0.00 -0.53 0.00 0.00 176.83 176.65 3h1c h ALA 136 N 1.00 0.16 -0.31 6.23 0.00 -1.04 -3.19 119.26 122.12 3h1c h ALA 136 Ca 0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 3h1c h ALA 136 Cb 0.89 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3h1c h ALA 136 CO 0.08 0.55 -0.16 0.00 0.00 0.00 0.00 179.25 179.72 3h1c h ALA 137 N 0.42 0.44 0.00 0.00 0.00 -1.42 -1.56 119.26 117.14 3h1c h ALA 137 Ca -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3h1c h ALA 137 Cb 1.45 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3h1c h ALA 137 CO 0.16 0.35 -0.08 -0.07 0.00 0.00 0.00 179.25 179.60 3h1c h LEU 138 N 0.42 0.00 0.04 0.00 3.38 -1.57 -1.34 115.31 116.24 3h1c h LEU 138 Ca 0.07 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 3h1c h LEU 138 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3h1c h LEU 138 CO 0.05 0.08 -1.59 -1.28 0.09 0.00 0.00 178.44 175.79 3h1c h SER 139 N 0.00 0.14 1.17 -0.43 0.87 -1.51 -3.36 113.55 110.44 3h1c h SER 139 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3h1c h SER 139 Cb 0.47 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3h1c h SER 139 CO 0.01 1.21 -0.31 0.18 -0.53 0.00 0.00 176.83 177.39 3h1c n LEU 140 N -3.24 0.76 -0.02 2.23 4.77 -0.60 -4.05 117.00 116.85 3h1c n LEU 140 Ca -0.16 0.40 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 3h1c n LEU 140 Cb 1.03 -0.25 0.09 0.00 -2.33 0.00 0.00 43.42 41.96 3h1c n LEU 140 CO 0.46 -0.12 0.58 0.77 -1.33 0.00 0.00 177.39 177.76 3h1c h SER 141 N 0.00 0.64 0.00 -1.43 4.64 -1.39 -2.86 113.55 113.16 3h1c h SER 141 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3h1c h SER 141 Cb 0.74 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3h1c h SER 141 CO 0.00 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 3h1c n GLY 142 N 0.02 2.21 3.71 -0.77 0.00 -1.26 -4.76 105.19 104.34 3h1c n GLY 142 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3h1c n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1c s ILE 143 N -2.56 2.44 -0.62 -0.61 1.01 -1.26 -1.02 121.20 118.58 3h1c s ILE 143 Ca 0.00 0.18 -0.38 0.00 0.00 0.00 0.00 60.65 60.45 3h1c s ILE 143 Cb 0.00 -3.12 -0.18 0.00 0.01 0.00 0.00 42.46 39.18 3h1c s ILE 143 CO 0.00 0.01 2.33 -0.81 0.00 0.00 0.00 174.94 176.46 3h1c n PRO 144 N 4.72 0.24 -3.68 2.79 -0.04 -1.26 -4.87 135.00 132.90 3h1c n PRO 144 Ca 0.16 0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.49 3h1c n PRO 144 Cb 0.37 -1.76 -0.17 0.00 -0.04 0.00 0.00 33.50 31.90 3h1c n PRO 144 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3h1c s PHE 145 N 7.42 -0.04 -0.47 0.54 5.36 -1.26 -4.47 117.98 125.04 3h1c s PHE 145 Ca 1.22 0.39 0.04 0.00 -0.96 0.00 0.00 56.93 57.62 3h1c s PHE 145 Cb -1.25 -0.36 0.32 0.00 -0.34 0.00 0.00 43.02 41.39 3h1c s PHE 145 CO 0.56 -0.21 1.18 0.09 -1.46 0.00 0.00 175.22 175.38 3h1c n ASN 146 N 5.16 3.13 -0.80 6.13 3.02 -1.12 -4.85 115.26 125.93 3h1c n ASN 146 Ca -0.07 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.97 3h1c n ASN 146 Cb 0.50 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 3h1c n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1c n GLY 147 N 0.07 1.21 3.97 7.41 0.00 -1.26 -5.00 105.19 111.59 3h1c n GLY 147 Ca 0.17 -1.53 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 3h1c n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1c s PRO 148 N 1.45 1.58 0.23 1.61 0.04 -1.26 -4.90 135.00 133.74 3h1c s PRO 148 Ca 0.00 -0.80 0.10 0.00 0.04 0.00 0.00 61.00 60.34 3h1c s PRO 148 Cb 0.00 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3h1c s PRO 148 CO 0.00 -1.58 -0.13 0.96 0.04 0.00 0.00 177.00 176.29 3h1c s ILE 149 N -3.30 2.91 0.30 0.56 -4.36 -1.26 -4.02 121.20 112.03 3h1c s ILE 149 Ca 0.66 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 59.15 3h1c s ILE 149 Cb -0.06 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 3h1c s ILE 149 CO 0.46 -0.25 0.18 -0.83 0.24 0.00 0.00 174.94 174.74 3h1c s GLY 150 N -3.18 1.69 -0.10 6.27 0.00 -1.03 -4.77 107.32 106.20 3h1c s GLY 150 Ca 0.27 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.37 3h1c s GLY 150 CO 0.15 -1.61 -0.11 0.00 0.00 0.00 0.00 173.10 171.53 3h1c s ALA 151 N -2.29 1.40 -0.04 3.20 0.00 -1.26 -3.72 121.76 119.05 3h1c s ALA 151 Ca 0.36 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.75 3h1c s ALA 151 Cb -0.06 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.31 3h1c s ALA 151 CO 0.24 -0.15 0.08 0.00 0.00 0.00 0.00 175.76 175.93 3h1c s ALA 152 N 1.16 -0.16 -0.15 0.00 0.00 -1.00 -4.89 121.76 116.72 3h1c s ALA 152 Ca -0.05 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 3h1c s ALA 152 Cb -0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 3h1c s ALA 152 CO -0.03 -0.08 -0.07 0.50 0.00 0.00 0.00 175.76 176.09 3h1c s ARG 153 N 0.48 3.55 -0.12 0.00 3.52 -1.26 -0.81 118.95 124.31 3h1c s ARG 153 Ca -0.04 -0.59 -0.00 0.00 -0.13 0.00 0.00 55.73 54.97 3h1c s ARG 153 Cb -0.05 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 3h1c s ARG 153 CO -0.02 0.21 -0.10 0.08 -0.81 0.00 0.00 175.30 174.66 3h1c s VAL 154 N 0.41 3.37 0.51 7.11 1.01 -0.16 0.53 120.40 133.18 3h1c s VAL 154 Ca -0.06 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3h1c s VAL 154 Cb -0.15 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.86 3h1c s VAL 154 CO 0.04 0.54 0.35 0.61 0.00 0.00 0.00 175.10 176.63 3h1c n GLY 155 N 3.19 2.84 2.78 4.51 0.00 0.61 -2.72 105.19 116.40 3h1c n GLY 155 Ca -0.18 -2.30 -0.16 0.00 0.00 0.00 0.00 46.02 43.38 3h1c n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h1c s TYR 156 N -2.59 -0.35 -0.11 1.61 5.04 -1.24 -2.56 117.35 117.14 3h1c s TYR 156 Ca 0.27 -0.79 0.02 0.00 -2.44 0.00 0.00 57.07 54.13 3h1c s TYR 156 Cb -0.02 -0.38 -0.01 0.00 0.35 0.00 0.00 41.96 41.90 3h1c s TYR 156 CO 0.17 -0.98 -0.18 0.42 -1.34 0.00 0.00 175.55 173.64 3h1c s ILE 157 N 1.44 2.59 -1.39 3.14 1.01 -0.30 -2.41 121.20 125.27 3h1c s ILE 157 Ca 0.17 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 3h1c s ILE 157 Cb -0.15 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.31 3h1c s ILE 157 CO -0.03 0.54 0.95 0.59 0.00 0.00 0.00 174.94 177.00 3h1c n ASN 158 N 3.47 -3.82 -3.81 3.58 3.02 -1.26 -2.01 115.26 114.43 3h1c n ASN 158 Ca -0.18 -0.72 -0.28 0.00 -0.03 0.00 0.00 54.58 53.37 3h1c n ASN 158 Cb 0.53 -4.34 0.04 0.00 -0.61 0.00 0.00 39.78 35.40 3h1c n ASN 158 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3h1c n ASP 159 N -2.97 -5.24 -3.74 6.41 8.00 -1.26 -5.00 116.55 112.74 3h1c n ASP 159 Ca -0.10 -0.70 -0.13 0.00 0.71 0.00 0.00 54.79 54.56 3h1c n ASP 159 Cb 0.59 -4.27 -0.09 0.00 -0.02 0.00 0.00 41.12 37.33 3h1c n ASP 159 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3h1c s GLN 160 N -6.50 0.58 0.21 -1.24 2.00 -0.85 -5.16 119.66 108.69 3h1c s GLN 160 Ca 0.62 0.18 -0.29 0.00 -2.00 0.00 0.00 55.36 53.88 3h1c s GLN 160 Cb -0.30 0.27 -0.08 0.00 0.80 0.00 0.00 33.01 33.69 3h1c s GLN 160 CO 0.80 -0.13 0.91 0.71 -0.50 0.00 0.00 175.29 177.08 3h1c s TYR 161 N -0.57 3.95 -0.09 1.67 1.51 -1.26 -1.15 117.35 121.40 3h1c s TYR 161 Ca -0.07 1.84 0.02 0.00 -1.01 0.00 0.00 57.07 57.86 3h1c s TYR 161 Cb -0.04 -2.94 0.01 0.00 -0.11 0.00 0.00 41.96 38.88 3h1c s TYR 161 CO 0.03 0.44 -0.16 0.08 -1.11 0.00 0.00 175.55 174.83 3h1c s VAL 162 N -1.03 1.49 -0.05 0.71 1.01 -1.06 -4.93 120.40 116.54 3h1c s VAL 162 Ca 0.41 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 3h1c s VAL 162 Cb -0.25 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3h1c s VAL 162 CO 0.30 0.44 0.96 -0.22 0.00 0.00 0.00 175.10 176.58 3h1c s LEU 163 N 0.72 4.32 -0.56 3.92 2.96 -1.26 -0.29 118.68 128.49 3h1c s LEU 163 Ca -0.12 1.56 -0.21 0.00 -0.22 0.00 0.00 54.13 55.14 3h1c s LEU 163 Cb -0.16 -3.52 0.03 0.00 0.50 0.00 0.00 46.19 43.05 3h1c s LEU 163 CO 0.03 -0.32 0.64 0.59 -1.32 0.00 0.00 176.35 175.97 3h1c n ASN 164 N 4.32 -6.10 -4.77 3.68 3.02 0.19 -4.94 115.26 110.65 3h1c n ASN 164 Ca 0.06 -0.19 -0.38 0.00 -0.03 0.00 0.00 54.58 54.04 3h1c n ASN 164 Cb 0.50 -2.82 -0.04 0.00 -0.61 0.00 0.00 39.78 36.81 3h1c n ASN 164 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3h1c s PRO 165 N -3.12 4.31 0.67 3.52 0.02 -1.26 -5.06 135.00 134.08 3h1c s PRO 165 Ca 0.23 1.64 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 3h1c s PRO 165 Cb -0.03 -2.77 0.16 0.00 0.02 0.00 0.00 34.50 31.88 3h1c s PRO 165 CO 0.85 -0.04 0.82 0.25 -0.33 0.00 0.00 177.00 178.55 3h1c n THR 166 N 0.36 0.00 0.31 0.99 -2.24 -1.26 -4.78 114.28 107.66 3h1c n THR 166 Ca 0.03 -0.55 0.16 0.00 -2.27 0.00 0.00 64.05 61.42 3h1c n THR 166 Cb 0.48 -1.55 0.66 0.00 -2.10 0.00 0.00 70.33 67.81 3h1c n THR 166 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3h1c h GLN 167 N 0.00 0.00 -0.01 -0.78 5.75 -1.79 -2.56 115.11 115.73 3h1c h GLN 167 Ca -0.27 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 3h1c h GLN 167 Cb 0.77 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.32 3h1c h GLN 167 CO 0.19 0.00 -0.54 -0.25 -2.65 0.00 0.00 178.83 175.58 3h1c n ASP 168 N -2.89 1.59 -0.08 -0.69 8.00 -1.26 -4.50 116.55 116.71 3h1c n ASP 168 Ca 0.01 -1.30 -0.09 0.00 0.71 0.00 0.00 54.79 54.12 3h1c n ASP 168 Cb 0.28 0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 41.84 3h1c n ASP 168 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h1c n GLU 169 N -0.43 0.68 0.14 -1.24 1.02 -0.99 -4.44 120.64 115.38 3h1c n GLU 169 Ca 0.07 0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.38 3h1c n GLU 169 Cb 0.38 -1.58 0.34 0.00 -0.02 0.00 0.00 31.44 30.57 3h1c n GLU 169 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 3h1c h LEU 170 N 0.00 0.00 -0.92 -4.62 8.10 -1.73 -3.10 115.31 113.04 3h1c h LEU 170 Ca -0.48 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.40 3h1c h LEU 170 Cb 2.17 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.37 3h1c h LEU 170 CO 0.04 0.00 -0.51 0.11 -4.11 0.00 0.00 178.44 173.97 3h1c h LYS 171 N 0.00 0.00 0.00 0.17 1.57 -1.81 -2.75 116.57 113.75 3h1c h LYS 171 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h1c h LYS 171 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3h1c h LYS 171 CO 0.00 0.51 -0.61 0.93 -0.57 0.00 0.00 179.45 179.71 3h1c h GLU 172 N 0.00 0.00 -7.03 3.15 4.39 -1.80 -3.47 114.58 109.82 3h1c h GLU 172 Ca -0.01 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.22 3h1c h GLU 172 Cb 0.95 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.62 3h1c h GLU 172 CO 0.07 0.00 0.39 0.45 -1.16 0.00 0.00 179.01 178.76 3h1c s SER 173 N -5.43 6.50 0.00 1.42 0.15 -1.04 -4.83 113.70 110.47 3h1c s SER 173 Ca 0.03 1.96 0.20 0.00 0.70 0.00 0.00 55.95 58.84 3h1c s SER 173 Cb 0.09 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.76 3h1c s SER 173 CO 0.74 -0.67 0.95 0.29 1.20 0.00 0.00 173.24 175.75 3h1c n LYS 174 N -0.65 1.14 -3.96 5.44 4.01 -1.01 -4.93 118.16 118.20 3h1c n LYS 174 Ca 0.08 -0.64 -0.14 0.00 -0.51 0.00 0.00 58.31 57.10 3h1c n LYS 174 Cb 0.52 -1.41 -0.14 0.00 -0.51 0.00 0.00 35.03 33.48 3h1c n LYS 174 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3h1c s LEU 175 N -2.52 1.88 -0.18 -0.35 0.20 -1.26 -0.32 118.68 116.13 3h1c s LEU 175 Ca 0.14 -0.03 -0.05 0.00 0.69 0.00 0.00 54.13 54.88 3h1c s LEU 175 Cb 0.16 -0.11 0.07 0.00 -0.43 0.00 0.00 46.19 45.88 3h1c s LEU 175 CO 0.60 0.00 0.13 -0.62 -0.29 0.00 0.00 176.35 176.18 3h1c s ASP 176 N 0.11 2.13 0.01 3.68 2.15 -0.52 -3.69 116.67 120.54 3h1c s ASP 176 Ca -0.01 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.44 3h1c s ASP 176 Cb -0.03 -0.08 -0.01 0.00 -0.30 0.00 0.00 42.92 42.50 3h1c s ASP 176 CO -0.00 -0.35 -0.03 -1.48 -0.17 0.00 0.00 175.17 173.14 3h1c s LEU 177 N 2.19 2.13 -0.22 -1.34 0.05 -1.10 -1.17 118.68 119.21 3h1c s LEU 177 Ca 0.03 -0.28 -0.04 0.00 0.05 0.00 0.00 54.13 53.89 3h1c s LEU 177 Cb -0.16 -0.00 -0.01 0.00 -2.05 0.00 0.00 46.19 43.97 3h1c s LEU 177 CO -0.11 -0.14 -0.05 -0.69 -0.55 0.00 0.00 176.35 174.81 3h1c s VAL 178 N -0.79 3.31 -0.09 1.48 1.01 0.20 -0.99 120.40 124.53 3h1c s VAL 178 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3h1c s VAL 178 Cb -0.06 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3h1c s VAL 178 CO -0.00 0.42 -0.08 0.54 0.00 0.00 0.00 175.10 175.97 3h1c s VAL 179 N 1.47 3.56 0.01 2.92 0.11 0.01 -1.75 120.40 126.72 3h1c s VAL 179 Ca 0.06 -0.52 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 3h1c s VAL 179 Cb -0.14 -2.47 -0.01 0.00 -1.53 0.00 0.00 36.38 32.23 3h1c s VAL 179 CO -0.04 0.57 -0.04 0.00 -3.33 0.00 0.00 175.10 172.26 3h1c s ALA 180 N -0.41 0.33 0.00 1.54 0.00 0.15 -2.37 121.76 121.00 3h1c s ALA 180 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3h1c s ALA 180 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3h1c s ALA 180 CO 0.02 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.22 3h1c n GLY 181 N 2.56 0.91 3.79 0.00 0.00 -1.24 -0.37 105.19 110.84 3h1c n GLY 181 Ca -0.16 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 3h1c n GLY 181 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h1c s THR 182 N -2.00 1.81 0.33 2.61 -1.32 0.38 -2.48 115.64 114.98 3h1c s THR 182 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 3h1c s THR 182 Cb 0.00 -2.79 0.27 0.00 -1.51 0.00 0.00 72.50 68.47 3h1c s THR 182 CO 0.00 0.00 1.98 -0.08 -2.21 0.00 0.00 174.62 174.31 3h1c h GLU 183 N -2.10 0.94 0.19 7.08 4.81 -1.91 -3.16 114.58 120.43 3h1c h GLU 183 Ca -0.44 -0.06 -0.28 0.00 -0.13 0.00 0.00 59.36 58.45 3h1c h GLU 183 Cb 1.25 -0.21 0.02 0.00 0.63 0.00 0.00 28.75 30.44 3h1c h GLU 183 CO 0.33 0.62 -1.30 0.00 -0.73 0.00 0.00 179.01 177.93 3h1c h ALA 184 N 1.55 -0.04 -2.61 2.92 0.00 -1.94 -3.49 119.26 115.64 3h1c h ALA 184 Ca 0.28 -0.89 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 3h1c h ALA 184 Cb -0.04 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 3h1c h ALA 184 CO -0.07 0.66 -0.28 0.00 0.00 0.00 0.00 179.25 179.56 3h1c s ALA 185 N -2.52 -0.33 0.51 0.00 0.00 -1.19 -4.83 121.76 113.39 3h1c s ALA 185 Ca -0.13 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 3h1c s ALA 185 Cb 0.03 0.65 -0.08 0.00 0.00 0.00 0.00 23.12 23.72 3h1c s ALA 185 CO 0.87 -0.59 1.01 0.08 0.00 0.00 0.00 175.76 177.13 3h1c s VAL 186 N -3.88 4.14 0.00 0.00 1.01 -1.26 -0.47 120.40 119.94 3h1c s VAL 186 Ca 0.08 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3h1c s VAL 186 Cb 0.04 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3h1c s VAL 186 CO -0.08 -0.45 0.00 0.18 0.00 0.00 0.00 175.10 174.75 3h1c n LEU 187 N -1.32 1.72 -3.73 3.92 4.77 0.22 -4.72 117.00 117.86 3h1c n LEU 187 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 3h1c n LEU 187 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 3h1c n LEU 187 CO 0.43 0.28 -0.10 -0.04 -1.33 0.00 0.00 177.39 176.62 3h1c s MET 188 N -1.60 0.23 -0.04 3.23 1.00 0.50 -1.09 119.30 121.53 3h1c s MET 188 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 55.69 56.22 3h1c s MET 188 Cb 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 34.83 34.77 3h1c s MET 188 CO 0.00 -0.15 -0.03 0.08 0.00 0.00 0.00 175.02 174.92 3h1c s VAL 189 N 1.13 0.45 -0.10 -6.03 1.01 0.90 0.32 120.40 118.08 3h1c s VAL 189 Ca -0.08 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3h1c s VAL 189 Cb -0.09 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.81 3h1c s VAL 189 CO -0.08 0.21 -0.14 -0.70 0.00 0.00 0.00 175.10 174.39 3h1c s GLU 190 N 0.99 2.04 0.06 2.72 2.56 -0.72 -0.37 118.70 125.99 3h1c s GLU 190 Ca -0.10 -0.50 -0.05 0.00 0.00 0.00 0.00 54.97 54.33 3h1c s GLU 190 Cb -0.14 -1.76 -0.02 0.00 2.00 0.00 0.00 34.13 34.21 3h1c s GLU 190 CO -0.01 -0.06 0.07 -1.54 -0.56 0.00 0.00 175.26 173.16 3h1c s SER 191 N 0.99 0.28 -0.13 -1.70 1.04 -0.94 -0.63 113.70 112.61 3h1c s SER 191 Ca -0.07 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 3h1c s SER 191 Cb -0.15 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.28 3h1c s SER 191 CO -0.01 -0.60 0.28 -1.83 0.98 0.00 0.00 173.24 172.06 3h1c s GLU 192 N -3.44 0.21 0.09 4.02 -1.05 -0.32 -3.61 118.70 114.60 3h1c s GLU 192 Ca 0.02 0.69 0.03 0.00 -0.15 0.00 0.00 54.97 55.56 3h1c s GLU 192 Cb 0.04 -0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.65 3h1c s GLU 192 CO -0.08 -0.22 -0.09 0.00 0.95 0.00 0.00 175.26 175.81 3h1c s ALA 193 N 1.89 0.98 -1.33 -0.84 0.00 0.56 -1.44 121.76 121.58 3h1c s ALA 193 Ca -0.04 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 3h1c s ALA 193 Cb -0.11 0.06 0.13 0.00 0.00 0.00 0.00 23.12 23.20 3h1c s ALA 193 CO -0.09 -0.08 1.93 1.04 0.00 0.00 0.00 175.76 178.56 3h1c n GLN 194 N 0.58 3.36 -3.36 0.00 6.02 0.56 -4.28 117.38 120.26 3h1c n GLN 194 Ca -0.16 -3.28 -0.17 0.00 -0.01 0.00 0.00 57.00 53.38 3h1c n GLN 194 Cb 0.58 -3.07 0.01 0.00 1.02 0.00 0.00 30.24 28.78 3h1c n GLN 194 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3h1c n LEU 195 N 4.88 -4.53 -4.65 1.08 4.32 -1.17 -4.96 117.00 111.96 3h1c n LEU 195 Ca 0.43 -0.30 -0.24 0.00 -0.02 0.00 0.00 56.01 55.89 3h1c n LEU 195 Cb 0.38 -2.45 -0.07 0.00 -1.62 0.00 0.00 43.42 39.66 3h1c n LEU 195 CO 0.82 -0.61 -0.32 -0.76 -1.22 0.00 0.00 177.39 175.30 3h1c s LEU 196 N -3.84 3.24 0.92 2.23 1.43 -1.06 -4.48 118.68 117.12 3h1c s LEU 196 Ca 0.11 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 3h1c s LEU 196 Cb -0.02 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.56 3h1c s LEU 196 CO 0.83 0.01 1.12 -0.94 0.23 0.00 0.00 176.35 177.60 3h1c s SER 197 N -3.55 3.38 0.32 2.29 1.04 -1.26 -0.75 113.70 115.17 3h1c s SER 197 Ca 0.31 1.11 0.07 0.00 0.48 0.00 0.00 55.95 57.92 3h1c s SER 197 Cb -0.07 -1.74 0.55 0.00 0.10 0.00 0.00 66.02 64.86 3h1c s SER 197 CO 0.20 -2.65 1.77 -0.33 0.98 0.00 0.00 173.24 173.20 3h1c h GLU 198 N -1.56 0.25 -0.26 4.02 3.07 -1.97 -1.30 114.58 116.84 3h1c h GLU 198 Ca -0.51 -0.10 -0.14 0.00 -0.50 0.00 0.00 59.36 58.11 3h1c h GLU 198 Cb 1.32 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.21 3h1c h GLU 198 CO 0.60 0.55 -0.42 -0.44 -1.40 0.00 0.00 179.01 177.89 3h1c h ASP 199 N 0.22 0.67 1.04 1.42 3.32 -1.99 -1.80 116.42 119.30 3h1c h ASP 199 Ca 0.03 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.62 3h1c h ASP 199 Cb 0.67 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3h1c h ASP 199 CO 0.05 1.01 -0.73 1.56 -1.72 0.00 0.00 179.24 179.41 3h1c h GLN 200 N 0.51 0.00 -0.14 3.56 4.20 -1.90 -2.19 115.11 119.15 3h1c h GLN 200 Ca 0.04 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 3h1c h GLN 200 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 3h1c h GLN 200 CO 0.09 0.73 -0.31 1.98 -0.67 0.00 0.00 178.83 180.64 3h1c h MET 201 N 0.00 0.47 0.05 1.46 4.05 -1.11 -3.09 114.93 116.75 3h1c h MET 201 Ca -0.01 -0.31 -0.24 0.00 -0.28 0.00 0.00 59.70 58.86 3h1c h MET 201 Cb 1.45 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.30 3h1c h MET 201 CO 0.10 0.92 -1.04 1.25 0.23 0.00 0.00 176.91 178.36 3h1c h LEU 202 N 0.08 0.52 -1.58 3.39 5.85 -1.42 -3.31 115.31 118.85 3h1c h LEU 202 Ca 0.00 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3h1c h LEU 202 Cb 0.91 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3h1c h LEU 202 CO 0.07 1.28 -0.20 1.23 -0.34 0.00 0.00 178.44 180.48 3h1c h GLY 203 N 1.27 0.01 1.95 3.75 0.00 -1.48 -2.59 103.07 105.99 3h1c h GLY 203 Ca -0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 3h1c h GLY 203 CO 0.18 0.01 -0.76 0.00 0.00 0.00 0.00 176.54 175.96 3h1c h ALA 204 N 1.79 0.73 -0.26 3.60 0.00 -1.62 -2.32 119.26 121.18 3h1c h ALA 204 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 54.91 54.05 3h1c h ALA 204 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h1c h ALA 204 CO 0.03 0.93 -0.55 0.28 0.00 0.00 0.00 179.25 179.93 3h1c h VAL 205 N 0.03 1.28 -0.45 0.00 2.07 -1.57 -2.62 116.25 115.00 3h1c h VAL 205 Ca -0.01 -1.74 -0.14 0.00 0.82 0.00 0.00 66.70 65.63 3h1c h VAL 205 Cb 1.35 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 3h1c h VAL 205 CO 0.10 0.56 -0.26 0.58 0.02 0.00 0.00 177.57 178.57 3h1c h VAL 206 N 0.59 1.27 -0.84 2.57 2.07 -1.51 -2.15 116.25 118.26 3h1c h VAL 206 Ca 0.00 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 3h1c h VAL 206 Cb 1.16 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 3h1c h VAL 206 CO 0.12 0.49 0.38 0.15 0.02 0.00 0.00 177.57 178.73 3h1c h PHE 207 N 0.81 1.22 -0.10 1.57 3.57 -1.44 -2.30 116.94 120.27 3h1c h PHE 207 Ca 0.09 -0.07 -0.23 0.00 3.53 0.00 0.00 57.97 61.29 3h1c h PHE 207 Cb 0.84 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 39.22 3h1c h PHE 207 CO 0.06 0.89 -0.85 0.78 -2.23 0.00 0.00 178.31 176.96 3h1c h GLY 208 N 1.20 0.80 1.36 2.40 0.00 -1.43 -2.90 103.07 104.51 3h1c h GLY 208 Ca 0.28 -1.21 -0.11 0.00 0.00 0.00 0.00 47.33 46.30 3h1c h GLY 208 CO -0.03 1.07 -0.19 0.84 0.00 0.00 0.00 176.54 178.23 3h1c h HIS 209 N 0.47 0.83 -0.00 5.60 -0.00 -1.32 -1.92 115.15 118.81 3h1c h HIS 209 Ca -0.07 -0.18 -0.17 0.00 -0.00 0.00 0.00 60.37 59.95 3h1c h HIS 209 Cb 1.48 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 28.67 3h1c h HIS 209 CO 0.09 0.87 -0.80 0.93 -0.00 0.00 0.00 177.93 179.02 3h1c h GLU 210 N 0.65 0.04 0.03 5.26 5.08 -1.50 -3.30 114.58 120.85 3h1c h GLU 210 Ca 0.10 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.18 3h1c h GLU 210 Cb 0.68 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3h1c h GLU 210 CO 0.05 0.82 -1.14 1.96 -1.00 0.00 0.00 179.01 179.69 3h1c h GLN 211 N 0.02 0.06 0.00 2.33 1.08 -1.41 -3.25 115.11 113.94 3h1c h GLN 211 Ca -0.01 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3h1c h GLN 211 Cb 1.40 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 3h1c h GLN 211 CO 0.11 1.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.99 3h1c n GLN 212 N -3.36 0.77 0.24 1.46 10.64 -0.73 -3.53 117.38 122.86 3h1c n GLN 212 Ca -0.04 0.01 0.10 0.00 -1.83 0.00 0.00 57.00 55.23 3h1c n GLN 212 Cb 0.97 -1.50 0.62 0.00 -0.86 0.00 0.00 30.24 29.48 3h1c n GLN 212 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h1c h GLN 213 N 0.00 0.00 -0.61 2.61 1.08 -1.65 -2.61 115.11 113.92 3h1c h GLN 213 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 3h1c h GLN 213 Cb 0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 3h1c h GLN 213 CO 0.00 0.17 0.20 0.28 -0.95 0.00 0.00 178.83 178.53 3h1c h VAL 214 N 0.00 1.23 -0.43 -0.54 2.07 -1.83 -0.13 116.25 116.62 3h1c h VAL 214 Ca -0.00 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3h1c h VAL 214 Cb 0.41 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3h1c h VAL 214 CO 0.02 0.31 0.03 0.58 0.02 0.00 0.00 177.57 178.52 3h1c h VAL 215 N 0.90 1.26 -0.41 2.57 2.07 -1.74 -2.35 116.25 118.55 3h1c h VAL 215 Ca 0.20 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 3h1c h VAL 215 Cb 0.25 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3h1c h VAL 215 CO -0.01 0.34 -0.17 0.40 0.02 0.00 0.00 177.57 178.15 3h1c h ILE 216 N 0.59 1.26 -0.19 4.57 2.04 -1.43 -1.97 117.51 122.38 3h1c h ILE 216 Ca 0.13 -1.25 -0.10 0.00 1.00 0.00 0.00 64.86 64.63 3h1c h ILE 216 Cb 0.45 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3h1c h ILE 216 CO 0.02 0.42 -0.31 1.56 0.00 0.00 0.00 178.15 179.84 3h1c h GLN 217 N 0.69 0.38 0.00 2.37 4.20 -0.96 -2.79 115.11 119.00 3h1c h GLN 217 Ca 0.11 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 3h1c h GLN 217 Cb 0.66 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 3h1c h GLN 217 CO 0.05 0.65 -1.04 -0.91 -0.67 0.00 0.00 178.83 176.91 3h1c h ASN 218 N 0.33 0.00 -0.19 1.46 2.35 -1.28 -3.24 115.58 115.01 3h1c h ASN 218 Ca 0.04 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 3h1c h ASN 218 Cb 0.72 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 3h1c h ASN 218 CO 0.05 0.77 -0.20 0.40 -1.65 0.00 0.00 177.43 176.81 3h1c h ILE 219 N 0.00 1.33 -0.35 2.81 2.04 -1.35 -3.00 117.51 118.99 3h1c h ILE 219 Ca -0.08 -1.36 0.05 0.00 1.00 0.00 0.00 64.86 64.46 3h1c h ILE 219 Cb 1.66 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 3h1c h ILE 219 CO 0.09 0.41 0.24 0.78 0.00 0.00 0.00 178.15 179.67 3h1c h ASN 220 N 0.14 0.24 0.69 1.72 2.35 -1.60 -0.69 115.58 118.43 3h1c h ASN 220 Ca 0.03 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.64 3h1c h ASN 220 Cb 0.74 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 3h1c h ASN 220 CO 0.05 0.16 -0.65 -0.33 -1.65 0.00 0.00 177.43 175.01 3h1c h GLU 221 N 0.27 0.00 0.00 0.81 4.39 -1.58 -3.16 114.58 115.32 3h1c h GLU 221 Ca 0.15 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 3h1c h GLU 221 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3h1c h GLU 221 CO -0.03 0.65 -0.62 1.25 -1.16 0.00 0.00 179.01 179.10 3h1c h LEU 222 N 0.00 0.00 -1.05 1.33 6.46 -1.01 -3.02 115.31 118.01 3h1c h LEU 222 Ca -0.01 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.67 3h1c h LEU 222 Cb 1.17 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 3h1c h LEU 222 CO 0.08 0.62 -0.23 0.58 -0.62 0.00 0.00 178.44 178.87 3h1c h VAL 223 N 0.00 1.25 0.00 1.05 2.07 -1.29 0.19 116.25 119.52 3h1c h VAL 223 Ca -0.01 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3h1c h VAL 223 Cb 1.36 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3h1c h VAL 223 CO 0.08 0.37 0.00 0.11 0.02 0.00 0.00 177.57 178.15 3h1c h LYS 224 N 0.36 0.00 0.00 1.57 1.57 -1.52 -2.49 116.57 116.06 3h1c h LYS 224 Ca 0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 3h1c h LYS 224 Cb 0.61 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 3h1c h LYS 224 CO 0.04 0.00 -1.69 0.39 -0.57 0.00 0.00 179.45 177.62 3h1c n GLU 225 N -2.99 0.55 -0.32 3.15 1.02 -0.92 -4.75 120.64 116.39 3h1c n GLU 225 Ca 0.03 0.33 0.08 0.00 -0.02 0.00 0.00 57.16 57.58 3h1c n GLU 225 Cb 0.42 -1.54 0.15 0.00 -0.02 0.00 0.00 31.44 30.45 3h1c n GLU 225 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h1c n ALA 226 N -4.09 2.73 -2.71 0.62 0.00 0.63 -5.04 120.51 112.65 3h1c n ALA 226 Ca -0.35 -2.77 -0.41 0.00 0.00 0.00 0.00 53.44 49.92 3h1c n ALA 226 Cb 0.69 -0.39 -0.04 0.00 0.00 0.00 0.00 19.45 19.71 3h1c n ALA 226 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h1c s GLY 227 N -2.88 2.62 0.47 0.00 0.00 -0.94 -4.94 107.32 101.66 3h1c s GLY 227 Ca 0.32 0.24 -0.22 0.00 0.00 0.00 0.00 44.72 45.07 3h1c s GLY 227 CO -0.01 1.42 1.11 0.54 0.00 0.00 0.00 173.10 176.16 3h1c s LYS 228 N 1.09 3.75 0.29 2.90 1.02 -1.08 -4.97 119.74 122.74 3h1c s LYS 228 Ca 0.42 1.61 -0.29 0.00 0.02 0.00 0.00 55.97 57.73 3h1c s LYS 228 Cb -0.18 -2.28 -0.13 0.00 -0.52 0.00 0.00 37.83 34.71 3h1c s LYS 228 CO 0.20 -0.52 1.19 -0.35 -0.92 0.00 0.00 175.35 174.96 3h1c n PRO 229 N -0.68 1.74 -1.89 -1.68 -0.04 -1.26 -4.39 135.00 126.80 3h1c n PRO 229 Ca 0.08 0.61 -0.40 0.00 -0.04 0.00 0.00 63.50 63.76 3h1c n PRO 229 Cb 0.50 -2.12 0.01 0.00 -0.04 0.00 0.00 33.50 31.84 3h1c n PRO 229 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3h1c s ARG 230 N -1.38 3.87 0.20 0.54 3.00 -1.26 -4.64 118.95 119.28 3h1c s ARG 230 Ca 0.60 2.36 -0.31 0.00 0.00 0.00 0.00 55.73 58.38 3h1c s ARG 230 Cb -0.65 -2.76 -0.10 0.00 0.00 0.00 0.00 34.95 31.44 3h1c s ARG 230 CO 0.58 -0.65 1.49 -1.58 0.00 0.00 0.00 175.30 175.15 3h1c s TRP 231 N -1.20 3.05 -1.28 -0.53 0.52 -0.19 -4.92 118.94 114.39 3h1c s TRP 231 Ca 0.58 0.85 -0.19 0.00 0.02 0.00 0.00 56.10 57.36 3h1c s TRP 231 Cb -0.42 -3.86 0.04 0.00 -1.15 0.00 0.00 33.47 28.08 3h1c s TRP 231 CO 0.55 -2.97 1.78 -3.47 0.02 0.00 0.00 176.95 172.87 3h1c n ASP 232 N 3.14 4.55 -4.18 2.95 2.03 -1.26 -4.86 116.55 118.92 3h1c n ASP 232 Ca 0.10 -2.87 -0.31 0.00 0.52 0.00 0.00 54.79 52.23 3h1c n ASP 232 Cb 0.40 -1.75 -0.17 0.00 -0.72 0.00 0.00 41.12 38.88 3h1c n ASP 232 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3h1c s TRP 233 N 5.60 2.43 -0.05 -0.67 -0.00 -1.26 -5.13 118.94 119.87 3h1c s TRP 233 Ca 0.57 -1.06 0.05 0.00 -0.00 0.00 0.00 56.10 55.66 3h1c s TRP 233 Cb 0.03 -1.65 -0.00 0.00 -0.00 0.00 0.00 33.47 31.85 3h1c s TRP 233 CO 0.09 -0.45 -0.19 -0.65 -0.00 0.00 0.00 176.95 175.75 3h1c s GLN 234 N 0.53 1.93 0.71 5.86 -1.52 -1.26 -5.10 119.66 120.80 3h1c s GLN 234 Ca -0.15 -0.66 -0.15 0.00 -1.95 0.00 0.00 55.36 52.45 3h1c s GLN 234 Cb -0.17 -1.66 0.03 0.00 -0.22 0.00 0.00 33.01 30.99 3h1c s GLN 234 CO 0.05 0.27 1.17 -2.14 -0.25 0.00 0.00 175.29 174.39 3h1c s PRO 235 N 0.00 2.33 0.12 2.91 0.02 -1.26 -4.94 135.00 134.19 3h1c s PRO 235 Ca -0.04 1.61 -0.31 0.00 0.02 0.00 0.00 61.00 62.28 3h1c s PRO 235 Cb -0.12 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 3h1c s PRO 235 CO 0.02 -1.65 1.84 -2.00 -0.33 0.00 0.00 177.00 174.88 3h1c s GLU 236 N -4.02 4.13 0.19 5.54 2.56 -1.26 -4.90 118.70 120.94 3h1c s GLU 236 Ca 0.71 2.61 -0.33 0.00 0.00 0.00 0.00 54.97 57.96 3h1c s GLU 236 Cb -0.25 -3.61 -0.13 0.00 2.00 0.00 0.00 34.13 32.13 3h1c s GLU 236 CO 0.44 -0.85 1.61 -0.35 -0.56 0.00 0.00 175.26 175.55 3h1c n PRO 237 N 5.75 2.36 -2.07 4.30 -0.04 -1.26 -4.90 135.00 139.15 3h1c n PRO 237 Ca 0.18 0.85 -0.43 0.00 -0.04 0.00 0.00 63.50 64.06 3h1c n PRO 237 Cb 0.38 -2.64 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 3h1c n PRO 237 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h1c s VAL 238 N 0.85 3.67 -0.42 0.52 0.11 -1.26 -4.98 120.40 118.90 3h1c s VAL 238 Ca 0.76 0.78 -0.15 0.00 -2.93 0.00 0.00 61.98 60.44 3h1c s VAL 238 Cb -0.61 -3.59 0.02 0.00 -1.53 0.00 0.00 36.38 30.67 3h1c s VAL 238 CO 0.38 -0.16 0.32 0.21 -3.33 0.00 0.00 175.10 172.52 3h1c s ASN 239 N 3.75 6.12 0.27 3.54 2.47 -1.26 -4.93 114.94 124.91 3h1c s ASN 239 Ca 0.72 -0.90 0.26 0.00 0.42 0.00 0.00 52.86 53.35 3h1c s ASN 239 Cb -0.29 -2.17 0.88 0.00 -1.45 0.00 0.00 41.25 38.22 3h1c s ASN 239 CO 0.28 -0.48 1.76 -0.33 -3.72 0.00 0.00 177.10 174.61 3h1c h GLU 240 N 8.65 0.00 0.00 0.43 3.07 -1.95 -2.21 114.58 122.57 3h1c h GLU 240 Ca -0.27 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.50 3h1c h GLU 240 Cb 1.12 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 3h1c h GLU 240 CO 0.75 0.00 -0.44 0.00 -1.40 0.00 0.00 179.01 177.92 3h1c h ALA 241 N 2.35 1.02 0.00 3.43 0.00 -2.00 -3.15 119.26 120.90 3h1c h ALA 241 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 3h1c h ALA 241 Cb 0.61 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3h1c h ALA 241 CO 0.00 0.54 -1.93 1.28 0.00 0.00 0.00 179.25 179.14 3h1c n LEU 242 N -3.64 0.00 0.00 0.00 4.77 -1.17 -3.83 117.00 113.13 3h1c n LEU 242 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 3h1c n LEU 242 Cb 0.53 0.20 0.11 0.00 -2.33 0.00 0.00 43.42 41.93 3h1c n LEU 242 CO 0.38 0.20 0.57 0.59 -1.33 0.00 0.00 177.39 177.80 3h1c n ASN 243 N -2.35 0.00 0.00 -1.43 4.13 -0.84 -2.58 115.26 112.20 3h1c n ASN 243 Ca -0.15 -1.88 0.00 0.00 1.68 0.00 0.00 54.58 54.23 3h1c n ASN 243 Cb 0.74 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.98 3h1c n ASN 243 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h1c n ALA 244 N -0.56 1.78 -0.04 5.41 0.00 -1.19 -4.39 120.51 121.53 3h1c n ALA 244 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 3h1c n ALA 244 Cb 0.01 0.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 3h1c n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1c h ARG 245 N 0.00 0.24 0.03 0.00 3.08 -1.66 -3.25 114.38 112.82 3h1c h ARG 245 Ca 0.00 -0.17 -0.23 0.00 0.07 0.00 0.00 59.98 59.65 3h1c h ARG 245 Cb 0.77 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 3h1c h ARG 245 CO 0.00 0.78 -1.00 0.28 -1.07 0.00 0.00 179.97 178.95 3h1c h VAL 246 N -0.27 1.45 0.00 2.04 2.07 -1.81 -3.22 116.25 116.52 3h1c h VAL 246 Ca -0.00 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.87 3h1c h VAL 246 Cb 0.79 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3h1c h VAL 246 CO 0.04 0.78 0.00 0.00 0.02 0.00 0.00 177.57 178.41 3h1c n ALA 247 N -2.52 2.37 0.00 1.67 0.00 -1.25 -1.41 120.51 119.37 3h1c n ALA 247 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3h1c n ALA 247 Cb 0.88 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.33 3h1c n ALA 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1c n ALA 248 N 0.26 0.90 -0.01 0.00 0.00 -1.22 -4.46 120.51 115.99 3h1c n ALA 248 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3h1c n ALA 248 Cb 0.32 0.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.65 3h1c n ALA 248 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3h1c n LEU 249 N -0.67 0.10 -0.01 0.00 7.94 -1.05 -4.65 117.00 118.66 3h1c n LEU 249 Ca 0.00 0.04 -0.01 0.00 -1.11 0.00 0.00 56.01 54.93 3h1c n LEU 249 Cb 0.06 0.05 -0.01 0.00 0.53 0.00 0.00 43.42 44.05 3h1c n LEU 249 CO 0.00 0.04 -0.56 0.00 -1.11 0.00 0.00 177.39 175.76 3h1c n ALA 250 N -2.31 1.96 -0.37 1.96 0.00 -0.50 -4.68 120.51 116.56 3h1c n ALA 250 Ca -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.28 3h1c n ALA 250 Cb 0.64 0.28 0.15 0.00 0.00 0.00 0.00 19.45 20.51 3h1c n ALA 250 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3h1c h GLU 251 N 0.00 1.22 -0.24 0.00 4.81 -1.78 0.11 114.58 118.69 3h1c h GLU 251 Ca -0.04 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 3h1c h GLU 251 Cb 1.09 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3h1c h GLU 251 CO -0.00 0.81 -0.35 0.00 -0.73 0.00 0.00 179.01 178.74 3h1c h ALA 252 N 1.42 0.94 0.03 2.92 0.00 -1.86 -2.88 119.26 119.83 3h1c h ALA 252 Ca 0.41 -0.41 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 3h1c h ALA 252 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3h1c h ALA 252 CO -0.14 0.62 -1.13 0.00 0.00 0.00 0.00 179.25 178.61 3h1c h ARG 253 N 0.45 0.05 0.00 0.00 3.08 -1.67 -3.30 114.38 113.00 3h1c h ARG 253 Ca 0.05 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3h1c h ARG 253 Cb 0.82 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3h1c h ARG 253 CO 0.07 1.00 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.70 3h1c h LEU 254 N 0.01 0.00 -0.58 3.04 3.38 -0.80 -2.75 115.31 117.62 3h1c h LEU 254 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3h1c h LEU 254 Cb 1.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 3h1c h LEU 254 CO 0.14 0.20 -0.21 0.28 0.09 0.00 0.00 178.44 178.93 3h1c h SER 255 N 0.00 0.93 1.94 -0.43 0.02 -1.58 -2.89 113.55 111.54 3h1c h SER 255 Ca -0.00 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3h1c h SER 255 Cb 0.84 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3h1c h SER 255 CO 0.03 1.11 -0.04 0.44 -1.14 0.00 0.00 176.83 177.22 3h1c h ASP 256 N 0.79 0.00 -0.05 3.07 3.32 -1.67 -3.32 116.42 118.56 3h1c h ASP 256 Ca 0.11 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 3h1c h ASP 256 Cb 0.77 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 3h1c h ASP 256 CO 0.06 0.00 -0.61 0.00 -1.72 0.00 0.00 179.24 176.98 3h1c h ALA 257 N 2.02 0.56 -0.34 3.45 0.00 -1.29 -3.12 119.26 120.54 3h1c h ALA 257 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3h1c h ALA 257 Cb 0.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3h1c h ALA 257 CO 0.00 0.70 0.00 0.66 0.00 0.00 0.00 179.25 180.61 3h1c n TYR 258 N -3.95 1.09 0.05 0.00 4.01 -1.11 -3.44 117.16 113.80 3h1c n TYR 258 Ca -0.04 -0.39 0.11 0.00 -0.16 0.00 0.00 57.90 57.42 3h1c n TYR 258 Cb 0.65 -0.29 -0.15 0.00 -0.31 0.00 0.00 39.34 39.24 3h1c n TYR 258 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3h1c n ARG 259 N 0.41 0.62 -2.22 -0.72 0.63 -1.18 -4.53 116.66 109.67 3h1c n ARG 259 Ca 0.15 -0.16 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3h1c n ARG 259 Cb 0.72 -1.55 -0.03 0.00 0.45 0.00 0.00 32.46 32.05 3h1c n ARG 259 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3h1c s ILE 260 N -3.48 3.30 -0.08 5.15 1.01 -1.22 -4.83 121.20 121.06 3h1c s ILE 260 Ca -0.06 1.01 -0.26 0.00 0.00 0.00 0.00 60.65 61.34 3h1c s ILE 260 Cb 0.14 -3.65 -0.24 0.00 0.01 0.00 0.00 42.46 38.72 3h1c s ILE 260 CO 0.90 0.12 0.96 0.71 0.00 0.00 0.00 174.94 177.63 3h1c h THR 261 N 3.97 1.61 -3.90 2.92 1.35 -1.89 -3.42 112.91 113.55 3h1c h THR 261 Ca -0.44 -2.02 -0.51 0.00 -0.55 0.00 0.00 66.41 62.89 3h1c h THR 261 Cb 1.21 2.93 0.04 0.00 -1.73 0.00 0.00 68.15 70.61 3h1c h THR 261 CO 0.81 0.54 0.51 -0.62 -0.25 0.00 0.00 175.52 176.51 3h1c s ASP 262 N -6.25 6.79 0.04 5.36 2.15 -1.26 -4.63 116.67 118.86 3h1c s ASP 262 Ca -0.17 2.36 -0.20 0.00 0.43 0.00 0.00 52.55 54.97 3h1c s ASP 262 Cb -0.00 -2.62 -0.14 0.00 -0.30 0.00 0.00 42.92 39.85 3h1c s ASP 262 CO 0.72 -0.49 1.34 0.50 -0.17 0.00 0.00 175.17 177.07 3h1c h LYS 263 N 3.08 0.37 -0.40 4.34 3.64 -1.99 -2.40 116.57 123.20 3h1c h LYS 263 Ca -0.48 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 58.64 3h1c h LYS 263 Cb 1.23 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 3h1c h LYS 263 CO 0.64 0.77 0.03 1.96 -2.27 0.00 0.00 179.45 180.58 3h1c h GLN 264 N -0.00 0.63 0.00 1.90 4.20 -1.98 -0.62 115.11 119.24 3h1c h GLN 264 Ca 0.02 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.46 3h1c h GLN 264 Cb 0.71 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 3h1c h GLN 264 CO 0.04 0.63 -0.63 0.93 -0.67 0.00 0.00 178.83 179.13 3h1c h GLU 265 N 0.60 0.00 0.01 1.46 5.08 -1.97 -3.10 114.58 116.65 3h1c h GLU 265 Ca 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3h1c h GLU 265 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3h1c h GLU 265 CO 0.01 0.63 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.56 3h1c h ARG 266 N 0.00 -0.01 0.00 2.33 2.43 -1.08 -3.07 114.38 114.99 3h1c h ARG 266 Ca -0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3h1c h ARG 266 Cb 1.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.01 3h1c h ARG 266 CO 0.08 0.80 -0.18 1.88 -1.51 0.00 0.00 179.97 181.04 3h1c h TYR 267 N -0.95 0.00 -0.02 2.20 0.05 -1.26 0.20 116.97 117.19 3h1c h TYR 267 Ca -0.00 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.59 3h1c h TYR 267 Cb 0.82 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 3h1c h TYR 267 CO 0.22 0.18 -0.81 0.00 -1.05 0.00 0.00 178.16 176.71 3h1c h ALA 268 N 1.82 0.60 -0.03 3.88 0.00 -1.68 -2.83 119.26 121.01 3h1c h ALA 268 Ca -0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 3h1c h ALA 268 Cb 0.33 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h1c h ALA 268 CO 0.02 0.86 -0.50 0.37 0.00 0.00 0.00 179.25 180.00 3h1c h GLN 269 N 0.14 0.40 -0.69 0.00 5.75 -1.21 -3.15 115.11 116.34 3h1c h GLN 269 Ca -0.04 -0.38 0.03 0.00 -0.15 0.00 0.00 58.65 58.12 3h1c h GLN 269 Cb 1.40 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 30.01 3h1c h GLN 269 CO 0.12 1.04 0.45 0.28 -2.65 0.00 0.00 178.83 178.08 3h1c h VAL 270 N -0.11 1.10 -0.40 2.39 2.07 -0.72 -2.87 116.25 117.71 3h1c h VAL 270 Ca -0.05 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 3h1c h VAL 270 Cb 1.19 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3h1c h VAL 270 CO 0.10 0.15 -0.08 -0.78 0.02 0.00 0.00 177.57 176.98 3h1c h ASP 271 N 0.82 0.76 1.11 0.57 3.58 -1.55 -2.72 116.42 118.99 3h1c h ASP 271 Ca 0.27 -0.36 -0.04 0.00 0.42 0.00 0.00 57.03 57.33 3h1c h ASP 271 Cb 0.07 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3h1c h ASP 271 CO -0.08 0.94 -0.19 -0.37 -2.88 0.00 0.00 179.24 176.66 3h1c h VAL 272 N 0.57 0.43 -0.12 2.25 -1.51 -1.47 -0.43 116.25 115.98 3h1c h VAL 272 Ca 0.10 -1.11 -0.14 0.00 -1.23 0.00 0.00 66.70 64.32 3h1c h VAL 272 Cb 0.60 1.81 0.01 0.00 -2.13 0.00 0.00 31.29 31.58 3h1c h VAL 272 CO 0.04 0.19 -0.46 0.40 -1.23 0.00 0.00 177.57 176.51 3h1c h ILE 273 N 0.00 1.37 -0.41 7.19 5.03 -1.50 -2.55 117.51 126.64 3h1c h ILE 273 Ca -0.00 -1.77 -0.06 0.00 -0.12 0.00 0.00 64.86 62.90 3h1c h ILE 273 Cb 0.80 2.15 -0.02 0.00 -3.03 0.00 0.00 36.82 36.71 3h1c h ILE 273 CO 0.02 0.53 -0.01 0.50 -0.68 0.00 0.00 178.15 178.52 3h1c h LYS 274 N 0.12 0.66 -0.11 2.37 3.64 -1.19 -2.45 116.57 119.62 3h1c h LYS 274 Ca -0.02 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.04 3h1c h LYS 274 Cb 1.09 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3h1c h LYS 274 CO 0.10 0.69 -0.52 0.77 -2.27 0.00 0.00 179.45 178.21 3h1c h SER 275 N 0.63 0.65 1.22 4.20 0.02 -1.14 -3.18 113.55 115.95 3h1c h SER 275 Ca 0.13 -0.64 -0.09 0.00 -0.84 0.00 0.00 61.79 60.35 3h1c h SER 275 Cb 0.40 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3h1c h SER 275 CO 0.02 1.18 -0.43 -0.33 -1.14 0.00 0.00 176.83 176.13 3h1c h GLU 276 N 0.16 0.00 -0.14 3.45 5.08 -1.45 -2.40 114.58 119.29 3h1c h GLU 276 Ca -0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 3h1c h GLU 276 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3h1c h GLU 276 CO 0.11 0.43 -0.29 1.15 -1.00 0.00 0.00 179.01 179.41 3h1c h THR 277 N 0.00 1.37 -0.34 1.13 2.02 -1.53 -2.84 112.91 112.72 3h1c h THR 277 Ca -0.00 -1.56 -0.13 0.00 0.77 0.00 0.00 66.41 65.49 3h1c h THR 277 Cb 1.16 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 3h1c h THR 277 CO 0.06 0.46 -0.31 0.40 0.37 0.00 0.00 175.52 176.50 3h1c h ILE 278 N 0.05 1.28 -0.40 3.11 2.04 -1.59 -2.74 117.51 119.26 3h1c h ILE 278 Ca 0.00 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 3h1c h ILE 278 Cb 0.88 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3h1c h ILE 278 CO 0.06 0.47 0.23 0.00 0.00 0.00 0.00 178.15 178.92 3h1c h ALA 279 N 1.04 1.65 -0.06 1.87 0.00 -1.45 0.22 119.26 122.53 3h1c h ALA 279 Ca 0.07 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3h1c h ALA 279 Cb 0.83 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3h1c h ALA 279 CO 0.07 0.30 -0.78 1.15 0.00 0.00 0.00 179.25 179.99 3h1c h THR 280 N 0.55 1.39 -0.03 0.00 2.02 -1.40 -2.93 112.91 112.50 3h1c h THR 280 Ca 0.14 -2.22 -0.16 0.00 0.77 0.00 0.00 66.41 64.94 3h1c h THR 280 Cb -0.00 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3h1c h THR 280 CO -0.03 0.67 -0.71 -0.07 0.37 0.00 0.00 175.52 175.75 3h1c h LEU 281 N 0.27 0.19 -0.61 2.58 3.38 -0.99 -2.27 115.31 117.86 3h1c h LEU 281 Ca -0.04 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 3h1c h LEU 281 Cb 1.37 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3h1c h LEU 281 CO 0.13 0.83 -0.54 -0.07 0.09 0.00 0.00 178.44 178.89 3h1c h LEU 282 N 0.10 0.49 -0.55 1.67 3.38 -0.64 -2.70 115.31 117.06 3h1c h LEU 282 Ca -0.02 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 3h1c h LEU 282 Cb 1.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3h1c h LEU 282 CO 0.10 0.94 -0.22 0.00 0.09 0.00 0.00 178.44 179.35 3h1c h ALA 283 N 1.08 0.91 0.31 1.53 0.00 -1.47 -3.34 119.26 118.28 3h1c h ALA 283 Ca 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3h1c h ALA 283 Cb 1.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3h1c h ALA 283 CO 0.10 0.27 -0.15 0.93 0.00 0.00 0.00 179.25 180.40 3h1c h GLU 284 N 0.00 -0.40 -2.27 0.00 4.39 -1.24 -3.48 114.58 111.58 3h1c h GLU 284 Ca -0.00 0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3h1c h GLU 284 Cb 0.97 0.09 -0.19 0.00 -0.10 0.00 0.00 28.75 29.52 3h1c h GLU 284 CO 0.03 -0.27 0.10 0.16 -1.16 0.00 0.00 179.01 177.87 3h1c s ASP 285 N -4.07 -0.56 0.00 1.42 -4.77 -1.03 -5.06 116.67 102.60 3h1c s ASP 285 Ca -0.06 0.55 0.16 0.00 -3.30 0.00 0.00 52.55 49.90 3h1c s ASP 285 Cb 0.01 0.50 0.46 0.00 -1.09 0.00 0.00 42.92 42.80 3h1c s ASP 285 CO 0.18 -0.60 1.38 -0.62 0.70 0.00 0.00 175.17 176.21 3h1c n GLU 286 N 0.88 2.09 0.17 2.11 4.71 -1.26 -4.34 120.64 125.00 3h1c n GLU 286 Ca -0.19 -1.69 0.05 0.00 -0.01 0.00 0.00 57.16 55.32 3h1c n GLU 286 Cb 0.57 -1.39 0.15 0.00 -1.01 0.00 0.00 31.44 29.77 3h1c n GLU 286 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 3h1c h THR 287 N 2.85 0.74 -4.31 2.62 1.35 -1.95 -3.47 112.91 110.75 3h1c h THR 287 Ca 0.00 -1.85 -0.51 0.00 -0.55 0.00 0.00 66.41 63.50 3h1c h THR 287 Cb 0.65 2.22 0.11 0.00 -1.73 0.00 0.00 68.15 69.40 3h1c h THR 287 CO 0.00 0.39 0.34 -0.76 -0.25 0.00 0.00 175.52 175.24 3h1c s LEU 288 N -6.56 3.01 0.16 3.87 1.02 -1.26 -5.04 118.68 113.87 3h1c s LEU 288 Ca 0.03 1.68 -0.17 0.00 0.02 0.00 0.00 54.13 55.69 3h1c s LEU 288 Cb 0.08 -4.44 -0.07 0.00 0.02 0.00 0.00 46.19 41.78 3h1c s LEU 288 CO 0.71 -1.79 0.62 -0.62 0.02 0.00 0.00 176.35 175.29 3h1c s ASP 289 N -3.61 6.95 0.05 2.29 2.15 -1.26 -5.02 116.67 118.22 3h1c s ASP 289 Ca 0.60 1.24 -0.18 0.00 0.43 0.00 0.00 52.55 54.64 3h1c s ASP 289 Cb -0.16 -2.35 -0.16 0.00 -0.30 0.00 0.00 42.92 39.96 3h1c s ASP 289 CO 0.55 0.11 1.27 -0.08 -0.17 0.00 0.00 175.17 176.85 3h1c h GLU 290 N 3.67 0.53 0.00 4.34 4.57 -1.98 -3.27 114.58 122.44 3h1c h GLU 290 Ca -0.48 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 57.28 3h1c h GLU 290 Cb 1.20 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3h1c h GLU 290 CO 0.65 1.01 -0.15 -0.91 -1.18 0.00 0.00 179.01 178.43 3h1c h ASN 291 N 0.16 0.00 -0.19 1.04 2.35 -1.95 -3.15 115.58 113.84 3h1c h ASN 291 Ca -0.01 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 3h1c h ASN 291 Cb 1.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 3h1c h ASN 291 CO 0.09 0.15 -0.41 -0.08 -1.65 0.00 0.00 177.43 175.53 3h1c h GLU 292 N 0.00 0.74 -0.08 0.81 4.81 -1.98 -2.41 114.58 116.47 3h1c h GLU 292 Ca -0.00 -0.39 -0.18 0.00 -0.13 0.00 0.00 59.36 58.65 3h1c h GLU 292 Cb 1.05 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3h1c h GLU 292 CO 0.02 1.01 -0.73 -0.07 -0.73 0.00 0.00 179.01 178.51 3h1c h LEU 293 N 0.60 0.48 -0.98 1.64 3.38 -1.60 -3.06 115.31 115.77 3h1c h LEU 293 Ca 0.05 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3h1c h LEU 293 Cb 0.96 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3h1c h LEU 293 CO 0.09 1.06 -0.28 1.23 0.09 0.00 0.00 178.44 180.63 3h1c h GLY 294 N 1.28 0.00 1.09 0.83 0.00 -1.52 -2.25 103.07 102.50 3h1c h GLY 294 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.06 3h1c h GLY 294 CO 0.13 0.00 -0.93 -2.09 0.00 0.00 0.00 176.54 173.64 3h1c h GLU 295 N 0.00 0.62 0.00 4.80 4.81 -1.39 -2.88 114.58 120.54 3h1c h GLU 295 Ca -0.00 -0.68 -0.12 0.00 -0.13 0.00 0.00 59.36 58.43 3h1c h GLU 295 Cb 0.83 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 3h1c h GLU 295 CO 0.04 1.27 -0.57 -0.84 -0.73 0.00 0.00 179.01 178.18 3h1c h ILE 296 N 0.25 1.01 -0.22 2.32 -0.00 -1.54 -2.73 117.51 116.61 3h1c h ILE 296 Ca -0.12 -2.32 -0.11 0.00 -0.00 0.00 0.00 64.86 62.32 3h1c h ILE 296 Cb 1.60 2.42 -0.01 0.00 -0.00 0.00 0.00 36.82 40.83 3h1c h ILE 296 CO 0.18 0.56 -0.32 -0.07 -0.00 0.00 0.00 178.15 178.50 3h1c h LEU 297 N 0.00 0.46 -1.02 0.16 3.38 -1.49 -2.59 115.31 114.21 3h1c h LEU 297 Ca -0.01 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3h1c h LEU 297 Cb 1.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3h1c h LEU 297 CO 0.07 0.76 -0.44 -0.74 0.09 0.00 0.00 178.44 178.19 3h1c h HIS 298 N 0.39 0.13 -0.15 1.13 2.76 -1.42 -2.75 115.15 115.23 3h1c h HIS 298 Ca 0.05 -0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.05 3h1c h HIS 298 Cb 0.76 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 3h1c h HIS 298 CO 0.02 0.53 -0.46 0.00 -1.30 0.00 0.00 177.93 176.72 3h1c h ALA 299 N 1.46 0.92 -0.34 5.26 0.00 -1.18 -2.09 119.26 123.29 3h1c h ALA 299 Ca 0.01 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 3h1c h ALA 299 Cb 0.81 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h1c h ALA 299 CO 0.06 0.65 -0.46 0.82 0.00 0.00 0.00 179.25 180.32 3h1c h ILE 300 N 0.31 1.27 -0.87 0.00 2.04 -1.38 -1.52 117.51 117.37 3h1c h ILE 300 Ca 0.02 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.25 3h1c h ILE 300 Cb 0.94 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 3h1c h ILE 300 CO 0.08 0.54 0.56 -0.33 0.00 0.00 0.00 178.15 179.00 3h1c h GLU 301 N 0.71 1.15 -0.11 2.37 5.08 -1.36 -1.93 114.58 120.48 3h1c h GLU 301 Ca 0.04 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 3h1c h GLU 301 Cb 1.05 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3h1c h GLU 301 CO 0.11 0.77 -0.62 -0.22 -1.00 0.00 0.00 179.01 178.05 3h1c h LYS 302 N 1.18 0.39 -0.20 2.33 3.64 -1.28 -3.28 116.57 119.35 3h1c h LYS 302 Ca 0.32 -0.28 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3h1c h LYS 302 Cb -0.11 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3h1c h LYS 302 CO -0.07 0.89 -0.23 -0.97 -2.27 0.00 0.00 179.45 176.81 3h1c h ASN 303 N 0.29 0.56 -0.47 4.20 -1.24 -0.75 -2.81 115.58 115.36 3h1c h ASN 303 Ca -0.01 -0.49 -0.06 0.00 0.71 0.00 0.00 56.30 56.45 3h1c h ASN 303 Cb 1.16 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 40.04 3h1c h ASN 303 CO 0.11 0.93 0.07 0.58 -1.29 0.00 0.00 177.43 177.83 3h1c h VAL 304 N 0.19 1.25 -0.26 2.57 2.07 -1.48 -1.72 116.25 118.87 3h1c h VAL 304 Ca 0.03 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 3h1c h VAL 304 Cb 0.79 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3h1c h VAL 304 CO 0.06 0.33 -0.06 0.58 0.02 0.00 0.00 177.57 178.49 3h1c h VAL 305 N 0.65 1.28 0.00 2.57 2.07 -1.65 -3.01 116.25 118.16 3h1c h VAL 305 Ca 0.14 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3h1c h VAL 305 Cb 0.40 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3h1c h VAL 305 CO 0.01 0.34 -0.30 0.03 0.02 0.00 0.00 177.57 177.67 3h1c h ARG 306 N 0.26 0.00 -0.03 1.57 3.08 -1.46 -2.67 114.38 115.13 3h1c h ARG 306 Ca 0.07 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.96 3h1c h ARG 306 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3h1c h ARG 306 CO 0.03 0.30 -0.71 0.77 -1.07 0.00 0.00 179.97 179.28 3h1c h SER 307 N 0.00 0.19 0.55 7.04 0.02 -1.27 -2.65 113.55 117.44 3h1c h SER 307 Ca -0.00 -0.13 -0.28 0.00 -0.84 0.00 0.00 61.79 60.54 3h1c h SER 307 Cb 0.69 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.19 3h1c h SER 307 CO 0.04 0.83 -1.23 0.03 -1.14 0.00 0.00 176.83 175.36 3h1c h ARG 308 N 0.11 0.32 -0.27 3.45 3.08 -1.38 -2.98 114.38 116.71 3h1c h ARG 308 Ca -0.02 -0.52 -0.17 0.00 0.07 0.00 0.00 59.98 59.34 3h1c h ARG 308 Cb 1.25 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.49 3h1c h ARG 308 CO 0.10 1.24 -0.52 0.28 -1.07 0.00 0.00 179.97 180.00 3h1c h VAL 309 N 0.10 1.29 -0.34 2.04 2.07 -1.54 -0.06 116.25 119.81 3h1c h VAL 309 Ca -0.14 -1.72 -0.09 0.00 0.82 0.00 0.00 66.70 65.57 3h1c h VAL 309 Cb 1.95 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 3h1c h VAL 309 CO 0.21 0.55 -0.15 -0.07 0.02 0.00 0.00 177.57 178.13 3h1c h LEU 310 N 0.61 0.72 -0.78 2.57 3.38 -1.56 -3.24 115.31 117.01 3h1c h LEU 310 Ca 0.02 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.46 3h1c h LEU 310 Cb 1.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3h1c h LEU 310 CO 0.11 0.96 -0.58 0.00 0.09 0.00 0.00 178.44 179.02 3h1c h ALA 311 N 0.79 0.98 0.00 1.53 0.00 -1.58 -3.47 119.26 117.50 3h1c h ALA 311 Ca 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3h1c h ALA 311 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h1c h ALA 311 CO 0.05 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.42 3h1c n GLY 312 N 0.16 1.24 3.75 0.00 0.00 -1.09 -5.11 105.19 104.14 3h1c n GLY 312 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3h1c n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1c s GLU 313 N -0.27 4.60 0.47 1.61 2.02 -0.06 -4.99 118.70 122.09 3h1c s GLU 313 Ca 0.00 1.80 -0.20 0.00 0.02 0.00 0.00 54.97 56.59 3h1c s GLU 313 Cb 0.00 -3.22 -0.12 0.00 0.10 0.00 0.00 34.13 30.89 3h1c s GLU 313 CO 0.00 0.12 0.38 -0.35 0.02 0.00 0.00 175.26 175.43 3h1c n PRO 314 N 1.73 0.40 -0.98 0.39 -0.04 -1.26 -4.32 135.00 130.92 3h1c n PRO 314 Ca 0.01 0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.31 3h1c n PRO 314 Cb 0.45 -1.42 0.25 0.00 -0.04 0.00 0.00 33.50 32.74 3h1c n PRO 314 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3h1c s ARG 315 N -1.56 -1.66 0.17 0.54 0.52 -0.35 -4.80 118.95 111.81 3h1c s ARG 315 Ca 0.63 -0.11 -0.15 0.00 -0.52 0.00 0.00 55.73 55.58 3h1c s ARG 315 Cb -0.55 -1.55 0.11 0.00 0.52 0.00 0.00 34.95 33.49 3h1c s ARG 315 CO 0.59 -3.99 1.73 0.82 0.02 0.00 0.00 175.30 174.47 3h1c h ILE 316 N -2.78 0.81 -0.17 1.52 2.04 -1.90 -1.16 117.51 115.87 3h1c h ILE 316 Ca -0.43 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3h1c h ILE 316 Cb 1.29 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3h1c h ILE 316 CO 0.30 0.04 0.00 -0.90 0.00 0.00 0.00 178.15 177.60 3h1c n ASP 317 N -5.08 1.49 -1.36 1.72 5.75 -1.26 -4.04 116.55 113.77 3h1c n ASP 317 Ca 0.03 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 3h1c n ASP 317 Cb 0.18 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3h1c n ASP 317 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1c n GLY 318 N 1.08 0.27 3.13 6.12 0.00 -0.44 -4.86 105.19 110.49 3h1c n GLY 318 Ca 0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3h1c n GLY 318 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1c s ARG 319 N -2.91 0.75 0.75 1.61 0.52 -1.26 -4.84 118.95 113.57 3h1c s ARG 319 Ca 0.00 -1.30 -0.06 0.00 -0.52 0.00 0.00 55.73 53.85 3h1c s ARG 319 Cb 0.00 0.05 0.11 0.00 0.52 0.00 0.00 34.95 35.62 3h1c s ARG 319 CO 0.00 -0.10 1.05 -1.21 0.02 0.00 0.00 175.30 175.07 3h1c s GLU 320 N -3.90 1.75 0.50 3.54 0.41 -1.26 -1.21 118.70 118.53 3h1c s GLU 320 Ca 0.11 -0.58 0.26 0.00 -0.41 0.00 0.00 54.97 54.36 3h1c s GLU 320 Cb 0.07 -2.17 1.32 0.00 -1.78 0.00 0.00 34.13 31.57 3h1c s GLU 320 CO -0.06 -1.50 2.01 1.57 -0.49 0.00 0.00 175.26 176.79 3h1c h LYS 321 N -0.74 0.00 0.00 1.61 2.10 -1.97 -3.31 116.57 114.26 3h1c h LYS 321 Ca -0.42 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.13 3h1c h LYS 321 Cb 1.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.59 3h1c h LYS 321 CO 0.49 0.15 -1.61 -0.40 -2.00 0.00 0.00 179.45 176.08 3h1c n ASP 322 N -3.60 2.46 -4.83 7.07 5.75 -1.26 -1.87 116.55 120.27 3h1c n ASP 322 Ca -0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.43 3h1c n ASP 322 Cb 0.28 1.11 -0.06 0.00 -1.03 0.00 0.00 41.12 41.42 3h1c n ASP 322 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h1c s MET 323 N -2.50 4.15 0.46 0.11 0.23 -1.25 -4.71 119.30 115.80 3h1c s MET 323 Ca -0.05 0.89 0.07 0.00 -1.03 0.00 0.00 55.69 55.57 3h1c s MET 323 Cb 0.05 -2.43 -0.01 0.00 -1.53 0.00 0.00 34.83 30.91 3h1c s MET 323 CO 0.44 0.14 0.34 0.96 -2.03 0.00 0.00 175.02 174.87 3h1c s ILE 324 N -1.96 2.22 1.10 3.16 -5.25 -1.26 -4.66 121.20 114.54 3h1c s ILE 324 Ca 0.55 -1.48 -0.16 0.00 -0.99 0.00 0.00 60.65 58.57 3h1c s ILE 324 Cb -0.11 -2.70 0.24 0.00 2.95 0.00 0.00 42.46 42.84 3h1c s ILE 324 CO 0.17 0.00 1.11 -0.13 -1.79 0.00 0.00 174.94 174.30 3h1c s ARG 325 N -4.13 -0.38 0.55 0.37 0.52 -1.26 -5.02 118.95 109.60 3h1c s ARG 325 Ca 0.42 0.16 -0.20 0.00 -0.52 0.00 0.00 55.73 55.58 3h1c s ARG 325 Cb -0.01 -1.67 -0.05 0.00 0.52 0.00 0.00 34.95 33.73 3h1c s ARG 325 CO 0.24 -3.20 1.16 0.20 0.02 0.00 0.00 175.30 173.73 3h1c s GLY 326 N -3.78 2.69 0.03 -3.53 0.00 -1.26 -4.74 107.32 96.73 3h1c s GLY 326 Ca 0.68 0.91 0.07 0.00 0.00 0.00 0.00 44.72 46.39 3h1c s GLY 326 CO 0.56 1.29 -0.21 1.08 0.00 0.00 0.00 173.10 175.83 3h1c s LEU 327 N -3.79 2.14 -0.15 0.66 1.43 -1.26 -0.09 118.68 117.61 3h1c s LEU 327 Ca 0.73 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 3h1c s LEU 327 Cb -0.27 -1.00 0.06 0.00 0.03 0.00 0.00 46.19 45.01 3h1c s LEU 327 CO 0.30 0.18 0.13 -0.62 0.23 0.00 0.00 176.35 176.57 3h1c s ASP 328 N -1.01 1.72 -0.27 2.29 2.15 0.14 -5.01 116.67 116.68 3h1c s ASP 328 Ca 0.08 -0.29 -0.07 0.00 0.43 0.00 0.00 52.55 52.70 3h1c s ASP 328 Cb -0.09 -0.01 -0.01 0.00 -0.30 0.00 0.00 42.92 42.52 3h1c s ASP 328 CO 0.01 -0.32 0.06 -0.69 -0.17 0.00 0.00 175.17 174.07 3h1c s VAL 329 N 2.21 4.04 -0.13 1.11 1.01 -1.26 -1.29 120.40 126.08 3h1c s VAL 329 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3h1c s VAL 329 Cb -0.15 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.30 3h1c s VAL 329 CO -0.08 0.24 -0.03 -0.13 0.00 0.00 0.00 175.10 175.10 3h1c s ARG 330 N 1.55 1.08 0.13 2.72 0.52 -0.79 -4.97 118.95 119.20 3h1c s ARG 330 Ca 0.05 -0.26 0.07 0.00 -0.52 0.00 0.00 55.73 55.07 3h1c s ARG 330 Cb -0.16 -1.62 -0.04 0.00 0.52 0.00 0.00 34.95 33.65 3h1c s ARG 330 CO 0.02 -0.39 -0.05 -0.08 0.02 0.00 0.00 175.30 174.82 3h1c s THR 331 N 1.79 3.57 -0.66 0.02 -1.32 -1.26 0.04 115.64 117.82 3h1c s THR 331 Ca 0.03 -1.32 -0.04 0.00 -1.21 0.00 0.00 61.69 59.15 3h1c s THR 331 Cb -0.14 -2.73 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 3h1c s THR 331 CO -0.07 0.01 0.48 0.61 -2.21 0.00 0.00 174.62 173.44 3h1c n GLY 332 N 0.33 0.22 0.15 6.08 0.00 -0.82 -4.95 105.19 106.19 3h1c n GLY 332 Ca -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 3h1c n GLY 332 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3h1c h VAL 333 N -1.10 1.41 -3.79 1.61 3.04 -1.83 -3.45 116.25 112.15 3h1c h VAL 333 Ca -0.26 -2.00 -0.68 0.00 -1.01 0.00 0.00 66.70 62.74 3h1c h VAL 333 Cb 1.17 2.06 -0.20 0.00 -2.01 0.00 0.00 31.29 32.31 3h1c h VAL 333 CO 0.26 0.58 -0.74 -0.76 -1.01 0.00 0.00 177.57 175.91 3h1c s LEU 334 N -7.76 2.96 -0.04 3.16 1.43 -1.26 -5.06 118.68 112.11 3h1c s LEU 334 Ca -0.02 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 3h1c s LEU 334 Cb 0.13 -1.68 -0.30 0.00 0.03 0.00 0.00 46.19 44.36 3h1c s LEU 334 CO 0.77 0.31 0.69 1.55 0.23 0.00 0.00 176.35 179.90 3h1c h PRO 335 N 4.88 0.38 0.11 1.29 0.13 -2.00 -3.41 132.00 133.38 3h1c h PRO 335 Ca -0.48 -0.65 -0.23 0.00 -0.87 0.00 0.00 66.00 63.77 3h1c h PRO 335 Cb 1.16 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.54 3h1c h PRO 335 CO 0.52 1.30 -1.12 0.00 -0.23 0.00 0.00 178.00 178.46 3h1c h ARG 336 N 0.10 0.24 -7.28 0.86 2.47 -2.00 -3.48 114.38 105.29 3h1c h ARG 336 Ca -0.33 -0.41 -0.52 0.00 -1.26 0.00 0.00 59.98 57.46 3h1c h ARG 336 Cb 2.09 0.15 0.14 0.00 -1.65 0.00 0.00 29.97 30.71 3h1c h ARG 336 CO 0.18 1.19 0.31 -0.08 0.56 0.00 0.00 179.97 182.13 3h1c s THR 337 N -2.44 2.95 0.04 2.04 -1.32 -1.26 -4.99 115.64 110.66 3h1c s THR 337 Ca -0.18 0.34 -0.31 0.00 -1.21 0.00 0.00 61.69 60.33 3h1c s THR 337 Cb 0.03 -2.73 -0.18 0.00 -1.51 0.00 0.00 72.50 68.11 3h1c s THR 337 CO 0.78 -0.37 1.41 0.45 -2.21 0.00 0.00 174.62 174.67 3h1c h HIS 338 N -1.06 -0.90 -3.60 9.09 3.86 -1.93 -3.44 115.15 117.18 3h1c h HIS 338 Ca -0.44 -0.02 -0.67 0.00 -1.16 0.00 0.00 60.37 58.08 3h1c h HIS 338 Cb 1.25 0.30 -0.22 0.00 1.06 0.00 0.00 27.41 29.79 3h1c h HIS 338 CO 0.55 -0.53 -0.72 0.20 0.86 0.00 0.00 177.93 178.28 3h1c s GLY 339 N -2.24 1.63 -0.03 2.45 0.00 0.26 -3.71 107.32 105.67 3h1c s GLY 339 Ca -0.17 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.67 3h1c s GLY 339 CO 0.55 -0.47 -0.04 -0.56 0.00 0.00 0.00 173.10 172.58 3h1c s SER 340 N -0.33 0.77 -0.14 1.64 0.01 -1.26 -2.25 113.70 112.14 3h1c s SER 340 Ca 0.04 -0.10 -0.14 0.00 1.31 0.00 0.00 55.95 57.06 3h1c s SER 340 Cb -0.13 -0.35 0.04 0.00 0.21 0.00 0.00 66.02 65.79 3h1c s SER 340 CO 0.02 -0.05 0.39 0.00 0.41 0.00 0.00 173.24 174.02 3h1c s ALA 341 N 0.79 -0.96 -0.30 1.44 0.00 -0.28 -1.95 121.76 120.50 3h1c s ALA 341 Ca -0.10 1.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 3h1c s ALA 341 Cb -0.13 -0.59 0.10 0.00 0.00 0.00 0.00 23.12 22.50 3h1c s ALA 341 CO -0.00 -0.19 0.12 -1.17 0.00 0.00 0.00 175.76 174.52 3h1c s LEU 342 N 0.11 0.98 -0.15 0.00 2.96 0.11 -1.39 118.68 121.30 3h1c s LEU 342 Ca -0.01 -1.39 -0.07 0.00 -0.22 0.00 0.00 54.13 52.43 3h1c s LEU 342 Cb -0.03 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.14 3h1c s LEU 342 CO 0.01 -0.43 0.11 0.12 -1.32 0.00 0.00 176.35 174.83 3h1c s PHE 343 N 1.96 3.44 -0.17 5.38 5.36 -1.16 -1.89 117.98 130.90 3h1c s PHE 343 Ca 0.09 0.36 -0.02 0.00 -0.96 0.00 0.00 56.93 56.40 3h1c s PHE 343 Cb -0.16 -2.01 0.05 0.00 -0.34 0.00 0.00 43.02 40.55 3h1c s PHE 343 CO -0.33 0.48 0.00 0.99 -1.46 0.00 0.00 175.22 174.90 3h1c s THR 344 N -0.37 0.71 -0.33 0.12 2.01 -0.41 -1.66 115.64 115.70 3h1c s THR 344 Ca 0.11 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 3h1c s THR 344 Cb -0.12 -1.06 0.06 0.00 0.01 0.00 0.00 72.50 71.40 3h1c s THR 344 CO 0.01 -0.03 0.06 -0.13 -0.69 0.00 0.00 174.62 173.84 3h1c s ARG 345 N 1.79 2.36 5.55 4.92 0.52 -0.48 -0.68 118.95 132.92 3h1c s ARG 345 Ca 0.00 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.84 3h1c s ARG 345 Cb -0.16 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.01 3h1c s ARG 345 CO -0.07 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 174.94 3h1c n GLY 346 N 4.64 1.35 2.36 -3.53 0.00 0.87 -1.98 105.19 108.91 3h1c n GLY 346 Ca -0.11 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3h1c n GLY 346 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h1c n GLU 347 N 0.00 3.07 -3.78 1.61 0.28 -1.26 -4.90 120.64 115.66 3h1c n GLU 347 Ca 0.00 -4.14 -0.23 0.00 -0.16 0.00 0.00 57.16 52.63 3h1c n GLU 347 Cb 0.00 -2.08 -0.17 0.00 1.43 0.00 0.00 31.44 30.61 3h1c n GLU 347 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3h1c s THR 348 N -4.73 0.42 0.18 3.84 2.01 -0.84 -3.75 115.64 112.77 3h1c s THR 348 Ca 0.45 0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.62 3h1c s THR 348 Cb 0.40 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 3h1c s THR 348 CO -0.06 0.26 -0.07 -1.10 -0.69 0.00 0.00 174.62 172.96 3h1c s GLN 349 N 1.95 2.14 -0.31 4.92 -0.21 -0.77 -1.39 119.66 126.00 3h1c s GLN 349 Ca 0.05 -1.25 -0.01 0.00 0.02 0.00 0.00 55.36 54.18 3h1c s GLN 349 Cb -0.12 -2.20 0.13 0.00 1.00 0.00 0.00 33.01 31.82 3h1c s GLN 349 CO -0.05 0.43 0.27 0.00 -2.12 0.00 0.00 175.29 173.82 3h1c s ALA 350 N -1.75 -0.16 -0.87 6.09 0.00 -0.67 -3.04 121.76 121.36 3h1c s ALA 350 Ca 0.26 -0.66 -0.25 0.00 0.00 0.00 0.00 51.96 51.31 3h1c s ALA 350 Cb -0.09 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.31 3h1c s ALA 350 CO 0.16 -1.79 1.49 -1.17 0.00 0.00 0.00 175.76 174.45 3h1c s LEU 351 N 2.09 3.32 -0.19 0.00 2.96 0.14 -2.99 118.68 124.01 3h1c s LEU 351 Ca 0.11 -0.83 -0.09 0.00 -0.22 0.00 0.00 54.13 53.11 3h1c s LEU 351 Cb -0.15 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.93 3h1c s LEU 351 CO -0.27 -1.86 0.10 -0.69 -1.32 0.00 0.00 176.35 172.31 3h1c s VAL 352 N 6.25 5.10 0.05 1.68 1.01 -0.48 -0.50 120.40 133.51 3h1c s VAL 352 Ca 0.47 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.62 3h1c s VAL 352 Cb -0.05 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3h1c s VAL 352 CO 0.03 0.45 -0.25 0.42 0.00 0.00 0.00 175.10 175.75 3h1c s THR 353 N 0.34 2.03 -0.08 3.92 -4.23 0.71 -1.13 115.64 117.21 3h1c s THR 353 Ca 0.06 -1.38 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 3h1c s THR 353 Cb -0.12 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 3h1c s THR 353 CO -0.01 0.30 -0.19 0.00 -0.54 0.00 0.00 174.62 174.18 3h1c s ALA 354 N -0.83 2.43 -0.04 3.99 0.00 -0.96 -0.85 121.76 125.51 3h1c s ALA 354 Ca 0.11 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3h1c s ALA 354 Cb -0.10 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 3h1c s ALA 354 CO 0.02 0.40 -0.17 0.99 0.00 0.00 0.00 175.76 177.01 3h1c s THR 355 N -0.14 1.38 -0.06 0.00 2.01 0.34 -0.58 115.64 118.59 3h1c s THR 355 Ca -0.03 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.30 3h1c s THR 355 Cb -0.14 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 3h1c s THR 355 CO 0.04 0.40 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.53 3h1c s LEU 356 N 0.03 3.10 0.00 4.42 1.43 -1.26 -0.70 118.68 125.71 3h1c s LEU 356 Ca -0.03 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3h1c s LEU 356 Cb -0.11 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.43 3h1c s LEU 356 CO 0.02 0.35 0.06 0.61 0.23 0.00 0.00 176.35 177.63 3h1c n GLY 357 N 2.17 3.17 3.99 -3.19 0.00 -0.20 -5.00 105.19 106.13 3h1c n GLY 357 Ca -0.18 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 3h1c n GLY 357 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1c s THR 358 N -2.43 2.14 0.37 2.61 -4.23 -1.26 -2.66 115.64 110.18 3h1c s THR 358 Ca 0.04 -0.54 0.20 0.00 -1.18 0.00 0.00 61.69 60.21 3h1c s THR 358 Cb -0.00 -2.60 0.20 0.00 1.34 0.00 0.00 72.50 71.44 3h1c s THR 358 CO 0.03 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.06 3h1c h ALA 359 N -0.61 1.35 0.00 3.99 0.00 -1.97 -2.60 119.26 119.42 3h1c h ALA 359 Ca -0.37 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 3h1c h ALA 359 Cb 1.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3h1c h ALA 359 CO 0.41 0.29 -0.35 0.00 0.00 0.00 0.00 179.25 179.59 3h1c h ARG 360 N 0.00 0.00 0.00 0.00 3.08 -2.00 -3.14 114.38 112.32 3h1c h ARG 360 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h1c h ARG 360 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3h1c h ARG 360 CO 0.03 0.35 0.00 -0.25 -1.07 0.00 0.00 179.97 179.03 3h1c n ASP 361 N -3.42 0.01 -4.77 7.04 8.00 -0.98 -4.84 116.55 117.60 3h1c n ASP 361 Ca 0.00 0.50 -0.39 0.00 0.71 0.00 0.00 54.79 55.61 3h1c n ASP 361 Cb 0.53 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 3h1c n ASP 361 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1c s ALA 362 N -3.00 3.29 -0.03 2.24 0.00 -1.19 -4.97 121.76 118.09 3h1c s ALA 362 Ca 0.11 1.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 3h1c s ALA 362 Cb 0.14 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3h1c s ALA 362 CO 0.40 -0.64 1.27 -1.14 0.00 0.00 0.00 175.76 175.65 3h1c s GLN 363 N -2.10 4.33 -0.99 0.00 0.74 -1.06 -4.96 119.66 115.63 3h1c s GLN 363 Ca 0.54 1.78 -0.05 0.00 0.05 0.00 0.00 55.36 57.69 3h1c s GLN 363 Cb -0.36 -3.55 0.24 0.00 1.10 0.00 0.00 33.01 30.45 3h1c s GLN 363 CO 0.46 -0.48 0.92 0.08 -0.55 0.00 0.00 175.29 175.72 3h1c s VAL 364 N 2.21 5.02 -0.11 1.34 1.01 -1.26 -1.75 120.40 126.86 3h1c s VAL 364 Ca 0.59 -3.72 -0.21 0.00 0.00 0.00 0.00 61.98 58.64 3h1c s VAL 364 Cb -0.27 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3h1c s VAL 364 CO 0.24 -1.13 0.60 -1.48 0.00 0.00 0.00 175.10 173.32 3h1c s LEU 365 N -1.36 4.27 -0.46 3.92 -0.00 -1.25 -5.04 118.68 118.76 3h1c s LEU 365 Ca 0.29 0.97 -0.13 0.00 -0.00 0.00 0.00 54.13 55.25 3h1c s LEU 365 Cb -0.08 -2.89 0.08 0.00 -0.00 0.00 0.00 46.19 43.30 3h1c s LEU 365 CO -0.11 -0.10 0.35 1.51 -0.00 0.00 0.00 176.35 178.00 3h1c s ASP 366 N 0.81 5.96 0.70 1.48 -4.77 -1.26 -3.50 116.67 116.09 3h1c s ASP 366 Ca 0.31 -1.41 -0.02 0.00 -3.30 0.00 0.00 52.55 48.12 3h1c s ASP 366 Cb -0.16 -2.11 0.07 0.00 -1.09 0.00 0.00 42.92 39.62 3h1c s ASP 366 CO 0.13 -0.62 0.44 1.21 0.70 0.00 0.00 175.17 177.04 3h1c n GLU 367 N 5.10 0.02 0.18 2.11 2.13 -1.22 -4.98 120.64 123.97 3h1c n GLU 367 Ca -0.12 -0.96 0.02 0.00 0.66 0.00 0.00 57.16 56.76 3h1c n GLU 367 Cb 0.43 -0.36 0.32 0.00 0.27 0.00 0.00 31.44 32.10 3h1c n GLU 367 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3h1c h LEU 368 N 0.00 0.00 0.00 4.31 7.12 -1.97 -3.35 115.31 121.42 3h1c h LEU 368 Ca -0.14 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.87 3h1c h LEU 368 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 3h1c h LEU 368 CO 0.13 0.43 -0.16 0.24 -0.13 0.00 0.00 178.44 178.95 3h1c h MET 369 N 0.00 0.00 -3.23 1.25 2.86 -1.96 -3.44 114.93 110.41 3h1c h MET 369 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3h1c h MET 369 Cb 0.80 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.34 3h1c h MET 369 CO 0.06 0.00 0.06 0.20 1.06 0.00 0.00 176.91 178.29 3h1c s GLY 370 N -3.43 -0.28 -1.20 8.32 0.00 -1.26 -4.98 107.32 104.50 3h1c s GLY 370 Ca -0.05 0.01 -0.20 0.00 0.00 0.00 0.00 44.72 44.48 3h1c s GLY 370 CO 0.07 -0.15 1.70 1.85 0.00 0.00 0.00 173.10 176.56 3h1c s GLU 371 N -3.82 3.65 -0.09 2.90 2.12 -1.26 -3.45 118.70 118.75 3h1c s GLU 371 Ca 0.05 -1.60 -0.20 0.00 0.36 0.00 0.00 54.97 53.59 3h1c s GLU 371 Cb -0.01 -5.44 -0.04 0.00 0.26 0.00 0.00 34.13 28.90 3h1c s GLU 371 CO -0.07 -2.49 0.55 -0.98 -0.54 0.00 0.00 175.26 171.72 3h1c s ARG 372 N 4.80 4.36 -0.14 4.30 1.70 -1.23 -4.99 118.95 127.75 3h1c s ARG 372 Ca 0.54 0.59 -0.19 0.00 -0.47 0.00 0.00 55.73 56.21 3h1c s ARG 372 Cb 0.02 -3.43 -0.04 0.00 -0.57 0.00 0.00 34.95 30.94 3h1c s ARG 372 CO 0.04 0.16 0.53 0.95 -1.08 0.00 0.00 175.30 175.90 3h1c s THR 373 N 0.55 5.14 -0.28 4.99 -4.23 -1.26 -3.91 115.64 116.64 3h1c s THR 373 Ca 0.30 1.03 -0.10 0.00 -1.18 0.00 0.00 61.69 61.73 3h1c s THR 373 Cb -0.16 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 3h1c s THR 373 CO 0.13 0.26 0.16 -0.62 -0.54 0.00 0.00 174.62 174.01 3h1c s ASP 374 N 0.84 5.70 -0.22 3.99 2.15 -0.72 -4.98 116.67 123.44 3h1c s ASP 374 Ca 0.27 -0.17 -0.19 0.00 0.43 0.00 0.00 52.55 52.88 3h1c s ASP 374 Cb -0.16 -2.05 -0.16 0.00 -0.30 0.00 0.00 42.92 40.26 3h1c s ASP 374 CO 0.11 -0.08 0.05 0.41 -0.17 0.00 0.00 175.17 175.49 3h1c n THR 375 N 5.01 1.52 -2.41 1.71 -1.04 -1.26 -2.56 114.28 115.26 3h1c n THR 375 Ca -0.14 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.36 3h1c n THR 375 Cb 0.51 -2.04 -0.02 0.00 -1.82 0.00 0.00 70.33 66.96 3h1c n THR 375 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3h1c s PHE 376 N -2.40 2.73 -0.12 -1.42 5.36 -1.26 -3.39 117.98 117.49 3h1c s PHE 376 Ca -0.30 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 56.59 3h1c s PHE 376 Cb 0.07 -3.74 -0.02 0.00 -0.34 0.00 0.00 43.02 39.00 3h1c s PHE 376 CO 0.54 -1.76 -0.14 -0.51 -1.46 0.00 0.00 175.22 171.89 3h1c s LEU 377 N 4.04 2.68 -0.11 6.12 1.43 0.49 -5.02 118.68 128.31 3h1c s LEU 377 Ca 0.56 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3h1c s LEU 377 Cb -0.19 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3h1c s LEU 377 CO 0.20 0.19 -0.12 0.12 0.23 0.00 0.00 176.35 176.97 3h1c s PHE 378 N 0.18 1.78 -0.04 0.29 5.36 -1.26 -0.16 117.98 124.13 3h1c s PHE 378 Ca -0.08 -0.86 0.07 0.00 -0.96 0.00 0.00 56.93 55.10 3h1c s PHE 378 Cb -0.15 -1.34 -0.01 0.00 -0.34 0.00 0.00 43.02 41.18 3h1c s PHE 378 CO 0.05 -0.48 -0.24 -1.01 -1.46 0.00 0.00 175.22 172.08 3h1c s HIS 379 N 1.21 2.25 -0.04 10.12 3.76 0.79 -4.74 115.29 128.63 3h1c s HIS 379 Ca -0.03 -0.56 0.05 0.00 -0.15 0.00 0.00 55.06 54.37 3h1c s HIS 379 Cb -0.14 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.08 3h1c s HIS 379 CO -0.04 -0.13 -0.18 -0.47 -0.85 0.00 0.00 174.74 173.07 3h1c s TYR 380 N -0.33 1.74 -0.05 1.40 5.04 -1.26 -0.80 117.35 123.07 3h1c s TYR 380 Ca 0.02 -0.47 0.02 0.00 -2.44 0.00 0.00 57.07 54.20 3h1c s TYR 380 Cb -0.12 -1.16 0.02 0.00 0.35 0.00 0.00 41.96 41.05 3h1c s TYR 380 CO 0.01 -0.14 -0.09 -0.80 -1.34 0.00 0.00 175.55 173.19 3h1c s ASN 381 N -0.05 1.37 -0.55 4.32 0.01 -0.95 -4.84 114.94 114.25 3h1c s ASN 381 Ca -0.02 -0.22 0.04 0.00 -0.71 0.00 0.00 52.86 51.95 3h1c s ASN 381 Cb -0.11 -0.64 0.14 0.00 0.41 0.00 0.00 41.25 41.05 3h1c s ASN 381 CO 0.02 -0.00 0.30 0.12 -1.51 0.00 0.00 177.10 176.03 3h1c s PHE 382 N 0.73 3.20 0.58 2.20 5.36 -1.26 -2.85 117.98 125.93 3h1c s PHE 382 Ca -0.13 -3.18 -0.16 0.00 -0.96 0.00 0.00 56.93 52.51 3h1c s PHE 382 Cb -0.15 -2.76 -0.05 0.00 -0.34 0.00 0.00 43.02 39.73 3h1c s PHE 382 CO 0.02 -0.71 1.04 -2.14 -1.46 0.00 0.00 175.22 171.97 3h1c s PRO 383 N -0.47 3.49 0.45 10.12 0.02 -1.26 -4.97 135.00 142.38 3h1c s PRO 383 Ca 0.18 1.10 0.31 0.00 0.02 0.00 0.00 61.00 62.61 3h1c s PRO 383 Cb -0.22 -2.06 1.36 0.00 0.02 0.00 0.00 34.50 33.59 3h1c s PRO 383 CO -0.03 -0.66 1.92 -1.00 -0.33 0.00 0.00 177.00 176.90 3h1c h PRO 384 N 0.49 0.00 0.00 5.54 0.13 -1.87 -2.98 132.00 133.31 3h1c h PRO 384 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3h1c h PRO 384 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3h1c h PRO 384 CO 0.59 0.00 0.00 0.10 -0.23 0.00 0.00 178.00 178.46 3h1c h TYR 385 N 0.00 0.00 -0.13 1.56 -0.00 -1.94 -2.50 116.97 113.96 3h1c h TYR 385 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.62 3h1c h TYR 385 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.08 3h1c h TYR 385 CO 0.00 0.00 -0.40 0.66 -0.00 0.00 0.00 178.16 178.42 3h1c h SER 386 N 0.00 0.30 0.21 0.10 4.64 -1.68 -3.23 113.55 113.90 3h1c h SER 386 Ca 0.00 -0.12 -0.22 0.00 -0.47 0.00 0.00 61.79 60.98 3h1c h SER 386 Cb 0.62 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.59 3h1c h SER 386 CO 0.00 0.67 -2.00 1.33 -0.87 0.00 0.00 176.83 175.96 3h1c n VAL 387 N -4.04 1.01 0.00 0.95 0.24 -1.22 -2.22 118.33 113.05 3h1c n VAL 387 Ca -0.01 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 3h1c n VAL 387 Cb 0.47 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 3h1c n VAL 387 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h1c n GLY 388 N 1.52 0.86 2.30 7.63 0.00 -1.13 -5.01 105.19 111.36 3h1c n GLY 388 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3h1c n GLY 388 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h1c n GLU 389 N 0.00 0.47 -4.52 1.61 0.28 -0.96 -5.05 120.64 112.47 3h1c n GLU 389 Ca 0.00 -1.95 -0.31 0.00 -0.16 0.00 0.00 57.16 54.74 3h1c n GLU 389 Cb 0.00 1.85 -0.11 0.00 1.43 0.00 0.00 31.44 34.61 3h1c n GLU 389 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3h1c s THR 390 N -2.71 3.26 0.14 3.84 -4.23 -1.26 -4.03 115.64 110.65 3h1c s THR 390 Ca 0.20 -1.00 -0.24 0.00 -1.18 0.00 0.00 61.69 59.48 3h1c s THR 390 Cb -0.01 -2.42 0.08 0.00 1.34 0.00 0.00 72.50 71.50 3h1c s THR 390 CO 0.15 0.34 1.08 -0.83 -0.54 0.00 0.00 174.62 174.82 3h1c s GLY 391 N -1.51 0.02 0.80 3.99 0.00 -1.26 -5.04 107.32 104.31 3h1c s GLY 391 Ca 0.17 -0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.59 3h1c s GLY 391 CO 0.07 2.54 1.13 1.06 0.00 0.00 0.00 173.10 177.90 3h1c s MET 392 N -2.27 1.90 -0.40 2.90 -1.94 -1.26 -4.92 119.30 113.31 3h1c s MET 392 Ca 0.22 1.40 0.10 0.00 -1.71 0.00 0.00 55.69 55.70 3h1c s MET 392 Cb -0.02 -1.84 0.31 0.00 2.01 0.00 0.00 34.83 35.29 3h1c s MET 392 CO 0.04 -1.95 0.66 0.28 -0.01 0.00 0.00 175.02 174.04 3h1c n VAL 393 N -3.51 -0.09 0.00 -6.03 0.31 -1.26 -4.82 118.33 102.93 3h1c n VAL 393 Ca 0.11 -4.45 0.00 0.00 -0.01 0.00 0.00 64.34 59.99 3h1c n VAL 393 Cb 0.52 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 3h1c n VAL 393 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h1c n GLY 394 N 0.70 -0.39 0.00 2.92 0.00 -1.26 -5.12 105.19 102.04 3h1c n GLY 394 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3h1c n GLY 394 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h1c n SER 395 N -2.08 0.30 -4.30 1.61 7.64 -1.26 -5.10 113.62 110.43 3h1c n SER 395 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 3h1c n SER 395 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 3h1c n SER 395 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3h1c s PRO 396 N 1.82 3.22 1.31 1.43 0.04 -1.26 -5.07 135.00 136.50 3h1c s PRO 396 Ca 0.00 -0.74 -0.19 0.00 0.04 0.00 0.00 61.00 60.11 3h1c s PRO 396 Cb 0.00 -3.10 0.31 0.00 0.04 0.00 0.00 34.50 31.75 3h1c s PRO 396 CO 0.00 -0.29 0.77 1.63 0.04 0.00 0.00 177.00 179.15 3h1c n LYS 397 N 4.79 -3.67 0.21 4.56 5.02 -1.26 -4.71 118.16 123.10 3h1c n LYS 397 Ca -0.17 -1.08 0.06 0.00 -2.02 0.00 0.00 58.31 55.10 3h1c n LYS 397 Cb 0.49 -1.91 0.53 0.00 -0.02 0.00 0.00 35.03 34.13 3h1c n LYS 397 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h1c h ARG 398 N -3.16 0.07 0.02 1.97 3.08 -2.00 -2.92 114.38 111.44 3h1c h ARG 398 Ca -0.46 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.37 3h1c h ARG 398 Cb 1.26 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 3h1c h ARG 398 CO 0.31 0.15 -0.95 -0.09 -1.07 0.00 0.00 179.97 178.33 3h1c h ARG 399 N 0.07 0.23 -0.01 0.04 2.43 -2.00 -3.26 114.38 111.88 3h1c h ARG 399 Ca 0.01 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3h1c h ARG 399 Cb 0.18 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3h1c h ARG 399 CO 0.01 1.02 -0.01 -0.85 -1.51 0.00 0.00 179.97 178.63 3h1c n GLU 400 N -3.64 1.58 -0.04 0.20 0.28 -1.11 -3.05 120.64 114.87 3h1c n GLU 400 Ca -0.05 -0.87 -0.22 0.00 -0.16 0.00 0.00 57.16 55.87 3h1c n GLU 400 Cb 0.85 -1.48 -0.13 0.00 1.43 0.00 0.00 31.44 32.11 3h1c n GLU 400 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3h1c h ILE 401 N 2.12 0.79 -0.27 3.84 2.04 -1.58 -3.28 117.51 121.17 3h1c h ILE 401 Ca 0.00 -2.29 -0.08 0.00 1.00 0.00 0.00 64.86 63.49 3h1c h ILE 401 Cb 0.46 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3h1c h ILE 401 CO 0.00 0.64 -0.17 1.23 0.00 0.00 0.00 178.15 179.85 3h1c h GLY 402 N 0.14 0.52 2.00 5.37 0.00 -1.64 -2.53 103.07 106.93 3h1c h GLY 402 Ca -0.38 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.49 3h1c h GLY 402 CO -0.03 0.36 -0.35 0.45 0.00 0.00 0.00 176.54 176.96 3h1c h HIS 403 N 0.44 0.00 -0.34 5.60 3.86 -1.73 -1.89 115.15 121.10 3h1c h HIS 403 Ca 0.08 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.15 3h1c h HIS 403 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3h1c h HIS 403 CO 0.02 0.35 -0.32 0.78 0.86 0.00 0.00 177.93 179.62 3h1c h GLY 404 N 2.10 0.88 2.00 2.45 0.00 -1.52 -2.83 103.07 106.16 3h1c h GLY 404 Ca -0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 47.33 46.31 3h1c h GLY 404 CO 0.05 0.81 -0.58 -0.09 0.00 0.00 0.00 176.54 176.72 3h1c h ARG 405 N 0.59 0.00 -0.21 4.80 9.65 -1.47 -2.73 114.38 125.01 3h1c h ARG 405 Ca 0.06 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3h1c h ARG 405 Cb 0.90 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.47 3h1c h ARG 405 CO 0.08 0.58 0.13 1.25 2.80 0.00 0.00 179.97 184.81 3h1c h LEU 406 N 0.00 0.25 -0.40 3.80 6.46 -1.25 -1.44 115.31 122.73 3h1c h LEU 406 Ca -0.01 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 3h1c h LEU 406 Cb 1.21 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 3h1c h LEU 406 CO 0.08 0.22 -0.15 0.00 -0.62 0.00 0.00 178.44 177.96 3h1c h ALA 407 N 1.04 0.93 -0.43 1.25 0.00 -1.56 -3.15 119.26 117.33 3h1c h ALA 407 Ca 0.07 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3h1c h ALA 407 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3h1c h ALA 407 CO -0.01 0.19 -0.23 -0.22 0.00 0.00 0.00 179.25 178.98 3h1c h LYS 408 N 0.00 0.87 0.00 0.00 3.64 -1.13 -3.04 116.57 116.91 3h1c h LYS 408 Ca -0.00 -0.37 -0.07 0.00 -1.27 0.00 0.00 60.65 58.94 3h1c h LYS 408 Cb 0.98 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3h1c h LYS 408 CO 0.02 1.01 -0.33 0.00 -2.27 0.00 0.00 179.45 177.88 3h1c h ARG 409 N 0.76 0.00 0.00 1.90 3.08 -1.23 -1.91 114.38 116.97 3h1c h ARG 409 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3h1c h ARG 409 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3h1c h ARG 409 CO 0.06 0.33 -0.06 0.41 -1.07 0.00 0.00 179.97 179.64 3h1c n GLY 410 N -0.04 -1.55 0.03 0.04 0.00 -1.15 -3.98 105.19 98.53 3h1c n GLY 410 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 3h1c n GLY 410 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1c n VAL 411 N -1.80 0.38 -0.18 1.61 0.31 -1.16 -4.70 118.33 112.79 3h1c n VAL 411 Ca 0.06 -0.25 0.09 0.00 -0.01 0.00 0.00 64.34 64.23 3h1c n VAL 411 Cb 0.38 -0.71 0.39 0.00 -0.91 0.00 0.00 33.84 32.98 3h1c n VAL 411 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3h1c h LEU 412 N 0.00 0.60 -1.37 7.52 6.46 -1.48 -0.62 115.31 126.42 3h1c h LEU 412 Ca -0.15 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.56 3h1c h LEU 412 Cb 1.26 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 3h1c h LEU 412 CO 0.01 0.37 -0.28 0.00 -0.62 0.00 0.00 178.44 177.91 3h1c h ALA 413 N 1.62 1.24 0.09 1.25 0.00 -1.84 -3.09 119.26 118.53 3h1c h ALA 413 Ca 0.34 -0.26 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 3h1c h ALA 413 Cb 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3h1c h ALA 413 CO -0.12 0.35 -1.69 0.28 0.00 0.00 0.00 179.25 178.07 3h1c h VAL 414 N 0.00 0.95 -3.07 0.00 2.07 -1.46 -3.46 116.25 111.27 3h1c h VAL 414 Ca -0.00 -2.65 -0.57 0.00 0.82 0.00 0.00 66.70 64.30 3h1c h VAL 414 Cb 0.62 2.62 0.09 0.00 -1.52 0.00 0.00 31.29 33.10 3h1c h VAL 414 CO 0.04 0.77 0.65 0.23 0.02 0.00 0.00 177.57 179.28 3h1c n MET 415 N -3.37 2.25 -1.25 1.57 2.00 -0.48 -3.03 117.12 114.81 3h1c n MET 415 Ca -0.21 0.80 -0.30 0.00 0.00 0.00 0.00 57.70 57.99 3h1c n MET 415 Cb 1.05 -2.46 0.12 0.00 0.00 0.00 0.00 33.22 31.92 3h1c n MET 415 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3h1c s PRO 416 N -0.96 1.62 1.01 0.03 0.04 -1.26 -4.96 135.00 130.51 3h1c s PRO 416 Ca 0.63 0.91 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 3h1c s PRO 416 Cb -0.58 -1.84 0.24 0.00 0.04 0.00 0.00 34.50 32.36 3h1c s PRO 416 CO 0.54 -2.01 1.13 -0.40 0.04 0.00 0.00 177.00 176.29 3h1c n ASP 417 N -3.74 -0.85 0.00 6.66 5.75 -1.26 -4.86 116.55 118.25 3h1c n ASP 417 Ca 0.08 -1.30 0.14 0.00 -0.01 0.00 0.00 54.79 53.70 3h1c n ASP 417 Cb 0.55 -0.93 0.72 0.00 -1.03 0.00 0.00 41.12 40.43 3h1c n ASP 417 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3h1c n MET 418 N -4.04 0.48 -0.07 0.11 2.81 -1.26 -2.85 117.12 112.31 3h1c n MET 418 Ca 0.15 0.02 -0.17 0.00 -1.81 0.00 0.00 57.70 55.89 3h1c n MET 418 Cb 0.54 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.41 3h1c n MET 418 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3h1c n ASP 419 N -1.23 1.67 0.06 7.83 8.00 -1.26 -3.83 116.55 127.78 3h1c n ASP 419 Ca 0.15 0.06 -0.20 0.00 0.71 0.00 0.00 54.79 55.50 3h1c n ASP 419 Cb 0.20 -0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.81 3h1c n ASP 419 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3h1c h LYS 420 N 0.03 0.51 -2.87 -1.24 3.64 -1.94 -3.42 116.57 111.26 3h1c h LYS 420 Ca -0.49 -0.66 -0.58 0.00 -1.27 0.00 0.00 60.65 57.65 3h1c h LYS 420 Cb 2.00 0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 33.64 3h1c h LYS 420 CO 0.01 1.28 -0.80 0.12 -2.27 0.00 0.00 179.45 177.79 3h1c s PHE 421 N -2.95 1.08 -1.28 1.91 5.36 -1.13 -5.05 117.98 115.92 3h1c s PHE 421 Ca -0.11 -1.67 -0.05 0.00 -0.96 0.00 0.00 56.93 54.14 3h1c s PHE 421 Cb 0.04 -1.26 0.15 0.00 -0.34 0.00 0.00 43.02 41.61 3h1c s PHE 421 CO 0.88 -0.83 2.29 -0.35 -1.46 0.00 0.00 175.22 175.75 3h1c n PRO 422 N 4.31 4.67 -4.02 10.12 -0.04 -1.25 -4.51 135.00 144.29 3h1c n PRO 422 Ca 0.05 -3.63 -0.12 0.00 -0.04 0.00 0.00 63.50 59.76 3h1c n PRO 422 Cb 0.38 -2.62 -0.12 0.00 -0.04 0.00 0.00 33.50 31.10 3h1c n PRO 422 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3h1c s TYR 423 N -1.52 0.37 -0.05 0.54 1.51 -1.26 -4.73 117.35 112.20 3h1c s TYR 423 Ca 0.51 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.95 3h1c s TYR 423 Cb 0.18 -0.23 -0.03 0.00 -0.11 0.00 0.00 41.96 41.76 3h1c s TYR 423 CO -0.09 -0.08 1.17 0.99 -1.11 0.00 0.00 175.55 176.42 3h1c s THR 424 N -0.86 4.33 -0.20 -0.71 2.01 -1.09 -4.89 115.64 114.23 3h1c s THR 424 Ca -0.07 1.65 -0.03 0.00 0.31 0.00 0.00 61.69 63.55 3h1c s THR 424 Cb -0.06 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 3h1c s THR 424 CO -0.00 0.01 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.20 3h1c s VAL 425 N 2.05 3.39 -0.28 3.82 1.01 -1.22 -1.03 120.40 128.15 3h1c s VAL 425 Ca 0.55 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3h1c s VAL 425 Cb -0.24 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.65 3h1c s VAL 425 CO 0.22 0.44 -0.00 -0.60 0.00 0.00 0.00 175.10 175.16 3h1c s ARG 426 N 1.19 2.72 -0.31 2.72 3.52 0.13 -0.38 118.95 128.53 3h1c s ARG 426 Ca 0.02 -1.08 -0.09 0.00 -0.13 0.00 0.00 55.73 54.46 3h1c s ARG 426 Cb -0.14 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 3h1c s ARG 426 CO -0.01 -0.51 0.13 0.08 -0.81 0.00 0.00 175.30 174.18 3h1c s VAL 427 N 1.34 4.33 -0.18 7.11 1.01 0.77 -0.51 120.40 134.27 3h1c s VAL 427 Ca -0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 3h1c s VAL 427 Cb -0.18 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3h1c s VAL 427 CO -0.02 0.03 -0.04 -0.69 0.00 0.00 0.00 175.10 174.38 3h1c s VAL 428 N 1.56 3.69 -0.15 2.92 1.01 -0.02 -0.15 120.40 129.26 3h1c s VAL 428 Ca 0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 3h1c s VAL 428 Cb -0.17 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3h1c s VAL 428 CO 0.05 0.47 -0.03 -0.55 0.00 0.00 0.00 175.10 175.04 3h1c s SER 429 N 0.75 4.92 -0.24 3.32 0.15 0.02 -0.21 113.70 122.41 3h1c s SER 429 Ca -0.02 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.58 3h1c s SER 429 Cb -0.15 -1.74 0.05 0.00 -1.71 0.00 0.00 66.02 62.48 3h1c s SER 429 CO 0.02 0.20 -0.13 -1.61 1.20 0.00 0.00 173.24 172.93 3h1c s GLU 430 N 0.17 2.45 -0.30 5.44 0.41 0.34 -2.24 118.70 124.97 3h1c s GLU 430 Ca -0.01 -1.21 -0.29 0.00 -0.41 0.00 0.00 54.97 53.05 3h1c s GLU 430 Cb -0.14 -2.83 0.01 0.00 -1.78 0.00 0.00 34.13 29.40 3h1c s GLU 430 CO 0.02 -0.48 1.12 0.42 -0.49 0.00 0.00 175.26 175.85 3h1c s ILE 431 N 1.16 4.46 -0.21 -1.63 -1.09 -1.13 0.26 121.20 123.02 3h1c s ILE 431 Ca -0.05 1.69 0.14 0.00 -2.23 0.00 0.00 60.65 60.20 3h1c s ILE 431 Cb -0.18 -4.34 -0.23 0.00 -1.58 0.00 0.00 42.46 36.13 3h1c s ILE 431 CO -0.07 -0.42 0.00 0.35 -1.23 0.00 0.00 174.94 173.57 3h1c n THR 432 N 5.82 1.38 -4.02 2.92 -2.24 -1.17 -4.48 114.28 112.50 3h1c n THR 432 Ca 0.13 -0.78 -0.12 0.00 -2.27 0.00 0.00 64.05 61.01 3h1c n THR 432 Cb 0.47 -0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 67.89 3h1c n THR 432 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h1c s GLU 433 N -2.49 0.38 -0.15 -0.78 2.02 -1.25 -4.16 118.70 112.27 3h1c s GLU 433 Ca -0.15 -0.55 -0.04 0.00 0.02 0.00 0.00 54.97 54.25 3h1c s GLU 433 Cb 0.07 -0.13 0.05 0.00 0.10 0.00 0.00 34.13 34.22 3h1c s GLU 433 CO 0.76 0.02 0.08 0.45 0.02 0.00 0.00 175.26 176.59 3h1c s SER 434 N -1.17 2.18 0.00 -0.19 0.15 -0.94 -1.85 113.70 111.88 3h1c s SER 434 Ca -0.09 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.05 3h1c s SER 434 Cb -0.08 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 3h1c s SER 434 CO -0.00 -0.33 0.00 -3.20 1.20 0.00 0.00 173.24 170.91 3h1c n ASN 435 N 5.26 0.00 0.00 5.45 5.15 -1.26 -4.81 115.26 125.04 3h1c n ASN 435 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 3h1c n ASN 435 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 3h1c n ASN 435 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h1c n GLY 436 N 3.38 -0.43 0.27 8.20 0.00 -1.25 -2.55 105.19 112.80 3h1c n GLY 436 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3h1c n GLY 436 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h1c h SER 437 N 0.00 -0.57 0.00 1.61 4.64 -1.93 -3.44 113.55 113.86 3h1c h SER 437 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3h1c h SER 437 Cb 0.00 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3h1c h SER 437 CO 0.00 -0.35 0.00 -1.54 -0.87 0.00 0.00 176.83 174.07 3h1c n SER 438 N -4.14 0.00 -0.05 4.97 3.41 -1.26 -3.64 113.62 112.91 3h1c n SER 438 Ca -0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.49 3h1c n SER 438 Cb 0.27 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 3h1c n SER 438 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3h1c n SER 439 N 1.98 1.90 0.21 4.04 2.88 -1.26 -4.27 113.62 119.10 3h1c n SER 439 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 3h1c n SER 439 Cb 0.00 0.96 0.42 0.00 -0.75 0.00 0.00 64.21 64.85 3h1c n SER 439 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3h1c h MET 440 N 0.00 0.00 0.04 -1.46 2.86 -1.82 -3.05 114.93 111.50 3h1c h MET 440 Ca -0.28 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.11 3h1c h MET 440 Cb 1.56 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.23 3h1c h MET 440 CO 0.02 0.28 -1.06 0.00 1.06 0.00 0.00 176.91 177.20 3h1c h ALA 441 N 1.72 0.21 -0.07 6.32 0.00 -1.75 -3.30 119.26 122.38 3h1c h ALA 441 Ca -0.00 -0.74 0.04 0.00 0.00 0.00 0.00 54.91 54.20 3h1c h ALA 441 Cb 0.78 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 3h1c h ALA 441 CO 0.04 0.79 -0.44 1.03 0.00 0.00 0.00 179.25 180.66 3h1c h SER 442 N 0.25 -1.37 -1.00 0.00 0.87 -1.71 0.60 113.55 111.19 3h1c h SER 442 Ca -0.12 0.17 0.22 0.00 -1.23 0.00 0.00 61.79 60.83 3h1c h SER 442 Cb 1.72 0.54 -0.10 0.00 -0.44 0.00 0.00 62.40 64.13 3h1c h SER 442 CO 0.19 -0.45 0.62 0.58 -0.53 0.00 0.00 176.83 177.24 3h1c h VAL 443 N -0.55 0.63 -0.41 2.23 2.07 -1.68 0.75 116.25 119.29 3h1c h VAL 443 Ca 0.06 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 3h1c h VAL 443 Cb 0.65 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3h1c h VAL 443 CO -0.37 0.11 -0.06 0.00 0.02 0.00 0.00 177.57 177.27 3h1c h GLY 445 N 0.59 0.00 0.99 0.00 0.00 0.50 -3.05 103.07 102.11 3h1c h GLY 445 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 3h1c h GLY 445 CO 0.03 0.00 0.06 0.00 0.00 0.00 0.00 176.54 176.63 3h1c h ALA 446 N 1.62 0.67 -0.29 3.60 0.00 0.27 -1.44 119.26 123.70 3h1c h ALA 446 Ca -0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3h1c h ALA 446 Cb 0.83 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3h1c h ALA 446 CO 0.05 0.42 -0.18 1.03 0.00 0.00 0.00 179.25 180.57 3h1c h SER 447 N 0.72 0.51 0.27 0.00 0.87 -1.49 -1.68 113.55 112.74 3h1c h SER 447 Ca 0.15 -0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 3h1c h SER 447 Cb 0.43 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3h1c h SER 447 CO 0.01 0.70 -0.70 -0.07 -0.53 0.00 0.00 176.83 176.25 3h1c h LEU 448 N 0.47 0.45 -0.43 2.23 3.38 -1.43 -2.72 115.31 117.26 3h1c h LEU 448 Ca 0.08 -0.29 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 3h1c h LEU 448 Cb 0.58 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3h1c h LEU 448 CO 0.04 1.02 -0.70 0.00 0.09 0.00 0.00 178.44 178.89 3h1c h ALA 449 N 0.98 0.62 -0.28 1.53 0.00 -1.05 -2.21 119.26 118.84 3h1c h ALA 449 Ca -0.02 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.13 3h1c h ALA 449 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3h1c h ALA 449 CO 0.12 0.75 -0.47 -0.07 0.00 0.00 0.00 179.25 179.57 3h1c h LEU 450 N 0.29 0.82 -0.79 0.00 3.38 -1.34 -2.45 115.31 115.23 3h1c h LEU 450 Ca -0.02 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 3h1c h LEU 450 Cb 1.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3h1c h LEU 450 CO 0.12 1.16 -0.57 0.24 0.09 0.00 0.00 178.44 179.49 3h1c h MET 451 N 0.60 0.00 -0.15 1.13 2.86 -1.49 0.21 114.93 118.09 3h1c h MET 451 Ca 0.03 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.47 3h1c h MET 451 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3h1c h MET 451 CO 0.10 0.57 -0.71 0.22 1.06 0.00 0.00 176.91 178.15 3h1c h ASP 452 N 0.00 0.77 0.36 1.22 3.58 -1.34 -3.24 116.42 117.77 3h1c h ASP 452 Ca -0.01 -0.48 -0.20 0.00 0.42 0.00 0.00 57.03 56.76 3h1c h ASP 452 Cb 1.06 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.88 3h1c h ASP 452 CO 0.07 1.26 -0.84 0.00 -2.88 0.00 0.00 179.24 176.85 3h1c h ALA 453 N 0.74 0.49 0.00 -0.78 0.00 -1.40 -3.45 119.26 114.86 3h1c h ALA 453 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3h1c h ALA 453 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3h1c h ALA 453 CO 0.14 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.61 3h1c n GLY 454 N 0.77 1.98 3.62 0.00 0.00 -0.64 -4.93 105.19 105.99 3h1c n GLY 454 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3h1c n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1c s VAL 455 N -2.00 4.68 -1.06 1.61 1.01 0.64 -4.96 120.40 120.33 3h1c s VAL 455 Ca 0.00 1.37 -0.22 0.00 0.00 0.00 0.00 61.98 63.14 3h1c s VAL 455 Cb 0.00 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 3h1c s VAL 455 CO 0.00 -0.35 1.92 -0.81 0.00 0.00 0.00 175.10 175.86 3h1c n PRO 456 N 6.47 1.71 -2.28 2.72 -0.04 -1.26 -4.53 135.00 137.79 3h1c n PRO 456 Ca 0.07 -2.32 -0.31 0.00 -0.04 0.00 0.00 63.50 60.90 3h1c n PRO 456 Cb 0.48 -3.42 -0.02 0.00 -0.04 0.00 0.00 33.50 30.50 3h1c n PRO 456 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3h1c s ILE 457 N 8.26 4.64 0.05 0.52 -4.36 -1.26 -4.49 121.20 124.56 3h1c s ILE 457 Ca 0.63 0.99 -0.24 0.00 -0.26 0.00 0.00 60.65 61.76 3h1c s ILE 457 Cb 0.05 -3.78 -0.17 0.00 1.25 0.00 0.00 42.46 39.82 3h1c s ILE 457 CO 0.12 -0.83 1.56 0.11 0.24 0.00 0.00 174.94 176.14 3h1c h LYS 458 N 0.50 -0.06 -3.63 0.37 1.57 -1.90 -3.48 116.57 109.95 3h1c h LYS 458 Ca -0.46 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 3h1c h LYS 458 Cb 1.19 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 3h1c h LYS 458 CO 0.62 0.12 -0.05 0.00 -0.57 0.00 0.00 179.45 179.56 3h1c s ALA 459 N -5.52 -0.12 0.24 3.86 0.00 -1.26 -5.13 121.76 113.82 3h1c s ALA 459 Ca -0.14 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 3h1c s ALA 459 Cb 0.04 1.02 -0.09 0.00 0.00 0.00 0.00 23.12 24.09 3h1c s ALA 459 CO 0.66 -0.87 1.09 0.00 0.00 0.00 0.00 175.76 176.63 3h1c s ALA 460 N -3.48 3.39 -0.02 0.00 0.00 -1.26 -5.03 121.76 115.36 3h1c s ALA 460 Ca 0.23 0.85 0.08 0.00 0.00 0.00 0.00 51.96 53.11 3h1c s ALA 460 Cb -0.02 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3h1c s ALA 460 CO 0.12 -0.15 -0.25 0.54 0.00 0.00 0.00 175.76 176.02 3h1c s VAL 461 N -0.81 2.02 0.07 0.00 0.11 -1.26 -4.32 120.40 116.20 3h1c s VAL 461 Ca 0.46 -1.09 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 3h1c s VAL 461 Cb -0.31 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 3h1c s VAL 461 CO 0.38 0.57 -0.05 0.00 -3.33 0.00 0.00 175.10 172.67 3h1c s ALA 462 N -0.55 0.71 -0.04 1.54 0.00 -0.67 -4.21 121.76 118.54 3h1c s ALA 462 Ca 0.08 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 3h1c s ALA 462 Cb -0.10 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.21 3h1c s ALA 462 CO -0.00 -0.23 0.09 0.20 0.00 0.00 0.00 175.76 175.81 3h1c s GLY 463 N -2.65 -0.03 0.05 0.00 0.00 -1.25 -0.83 107.32 102.62 3h1c s GLY 463 Ca 0.05 0.37 -0.04 0.00 0.00 0.00 0.00 44.72 45.10 3h1c s GLY 463 CO -0.05 0.51 0.07 -0.26 0.00 0.00 0.00 173.10 173.36 3h1c s ILE 464 N 0.52 0.16 0.24 0.90 -5.25 -0.27 -4.31 121.20 113.19 3h1c s ILE 464 Ca -0.04 -1.29 0.11 0.00 -0.99 0.00 0.00 60.65 58.44 3h1c s ILE 464 Cb -0.06 -1.09 -0.05 0.00 2.95 0.00 0.00 42.46 44.22 3h1c s ILE 464 CO -0.02 -0.71 -0.17 0.00 -1.79 0.00 0.00 174.94 172.25 3h1c s ALA 465 N -3.08 2.79 0.13 2.27 0.00 -1.26 -1.28 121.76 121.31 3h1c s ALA 465 Ca -0.01 -1.74 0.11 0.00 0.00 0.00 0.00 51.96 50.32 3h1c s ALA 465 Cb 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3h1c s ALA 465 CO -0.07 0.34 -0.26 -1.64 0.00 0.00 0.00 175.76 174.12 3h1c s MET 466 N -3.25 1.43 0.36 0.00 -1.94 0.99 -2.30 119.30 114.60 3h1c s MET 466 Ca 0.27 -1.33 0.08 0.00 -1.71 0.00 0.00 55.69 53.00 3h1c s MET 466 Cb -0.06 -1.92 -0.07 0.00 2.01 0.00 0.00 34.83 34.79 3h1c s MET 466 CO 0.15 0.45 -0.04 0.20 -0.01 0.00 0.00 175.02 175.77 3h1c s GLY 467 N -2.05 2.24 -0.10 -0.03 0.00 0.51 -1.34 107.32 106.56 3h1c s GLY 467 Ca 0.14 -2.14 -0.10 0.00 0.00 0.00 0.00 44.72 42.63 3h1c s GLY 467 CO 0.06 -2.01 0.27 -2.27 0.00 0.00 0.00 173.10 169.15 3h1c s LEU 468 N -3.61 0.98 -0.19 0.66 2.96 -1.26 -0.88 118.68 117.34 3h1c s LEU 468 Ca 0.33 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3h1c s LEU 468 Cb 0.06 0.93 0.04 0.00 0.50 0.00 0.00 46.19 47.72 3h1c s LEU 468 CO 0.16 -0.11 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.28 3h1c s VAL 469 N 0.05 1.60 -0.05 1.68 1.01 -1.06 -1.56 120.40 122.07 3h1c s VAL 469 Ca -0.01 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3h1c s VAL 469 Cb -0.02 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3h1c s VAL 469 CO 0.01 0.22 -0.15 -0.75 0.00 0.00 0.00 175.10 174.43 3h1c s LYS 470 N 1.42 1.67 -0.33 2.72 2.20 -1.26 -2.42 119.74 123.74 3h1c s LYS 470 Ca -0.00 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.09 3h1c s LYS 470 Cb -0.16 -1.43 0.12 0.00 -1.51 0.00 0.00 37.83 34.86 3h1c s LYS 470 CO -0.09 0.15 0.18 -2.00 -0.36 0.00 0.00 175.35 173.23 3h1c s GLU 471 N 0.27 0.50 1.52 4.03 2.56 -1.00 -5.02 118.70 121.56 3h1c s GLU 471 Ca -0.08 -1.09 0.00 0.00 0.00 0.00 0.00 54.97 53.80 3h1c s GLU 471 Cb -0.13 -1.40 0.00 0.00 2.00 0.00 0.00 34.13 34.61 3h1c s GLU 471 CO 0.03 -1.12 0.00 0.41 -0.56 0.00 0.00 175.26 174.01 3h1c n GLY 472 N 4.48 1.74 0.00 -1.50 0.00 -1.26 -3.52 105.19 105.13 3h1c n GLY 472 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3h1c n GLY 472 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h1c n ASP 473 N 5.12 3.39 -4.72 1.61 5.75 -1.26 -5.05 116.55 121.38 3h1c n ASP 473 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 3h1c n ASP 473 Cb 0.00 0.68 -0.03 0.00 -1.03 0.00 0.00 41.12 40.74 3h1c n ASP 473 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3h1c s ASN 474 N -1.36 7.10 -0.00 -1.12 0.02 -1.23 -5.04 114.94 113.31 3h1c s ASN 474 Ca 0.00 2.07 0.01 0.00 -1.02 0.00 0.00 52.86 53.92 3h1c s ASN 474 Cb 0.00 -2.59 -0.00 0.00 0.02 0.00 0.00 41.25 38.68 3h1c s ASN 474 CO 0.00 -0.42 -0.03 -0.72 0.02 0.00 0.00 177.10 175.95 3h1c s TYR 475 N 0.69 0.29 -0.11 2.20 1.13 -1.26 -2.39 117.35 117.89 3h1c s TYR 475 Ca 0.57 -0.05 0.02 0.00 -1.41 0.00 0.00 57.07 56.19 3h1c s TYR 475 Cb -0.30 -0.19 0.02 0.00 -1.10 0.00 0.00 41.96 40.39 3h1c s TYR 475 CO 0.31 -0.01 -0.15 0.08 -2.51 0.00 0.00 175.55 173.28 3h1c s VAL 476 N -0.06 1.50 -0.26 -3.49 1.01 -1.02 -5.01 120.40 113.07 3h1c s VAL 476 Ca 0.01 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 3h1c s VAL 476 Cb -0.01 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3h1c s VAL 476 CO -0.00 0.44 0.42 -0.69 0.00 0.00 0.00 175.10 175.27 3h1c s VAL 477 N 1.02 5.14 -0.15 2.92 1.01 -1.26 -2.57 120.40 126.50 3h1c s VAL 477 Ca -0.06 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 3h1c s VAL 477 Cb -0.15 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3h1c s VAL 477 CO -0.02 0.14 -0.00 -0.76 0.00 0.00 0.00 175.10 174.45 3h1c s LEU 478 N 2.13 3.46 -0.15 3.92 1.02 -0.06 -4.54 118.68 124.45 3h1c s LEU 478 Ca 0.17 -0.02 -0.12 0.00 0.02 0.00 0.00 54.13 54.18 3h1c s LEU 478 Cb -0.16 -1.84 -0.05 0.00 0.02 0.00 0.00 46.19 44.17 3h1c s LEU 478 CO 0.10 0.21 0.24 -0.44 0.02 0.00 0.00 176.35 176.47 3h1c s SER 479 N 0.12 6.40 -0.56 2.29 0.01 -0.78 -0.36 113.70 120.81 3h1c s SER 479 Ca 0.01 0.46 -0.16 0.00 1.31 0.00 0.00 55.95 57.57 3h1c s SER 479 Cb -0.13 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 63.98 3h1c s SER 479 CO 0.02 0.18 0.64 -0.67 0.41 0.00 0.00 173.24 173.82 3h1c n ASP 480 N 3.19 -6.81 -4.80 2.44 2.03 -0.97 -4.66 116.55 106.96 3h1c n ASP 480 Ca -0.14 -0.01 -0.33 0.00 0.52 0.00 0.00 54.79 54.83 3h1c n ASP 480 Cb 0.52 -3.84 -0.02 0.00 -0.72 0.00 0.00 41.12 37.06 3h1c n ASP 480 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3h1c s ILE 481 N -2.46 3.84 0.55 5.18 -5.25 -1.26 -4.79 121.20 117.02 3h1c s ILE 481 Ca 0.19 1.03 -0.07 0.00 -0.99 0.00 0.00 60.65 60.81 3h1c s ILE 481 Cb -0.04 -3.44 0.12 0.00 2.95 0.00 0.00 42.46 42.06 3h1c s ILE 481 CO 0.81 -0.37 0.76 0.18 -1.79 0.00 0.00 174.94 174.53 3h1c n LEU 482 N -1.40 0.00 -0.05 0.37 4.77 -1.26 -3.96 117.00 115.47 3h1c n LEU 482 Ca 0.09 -1.04 -0.06 0.00 -0.03 0.00 0.00 56.01 54.96 3h1c n LEU 482 Cb 0.53 -0.55 0.13 0.00 -2.33 0.00 0.00 43.42 41.20 3h1c n LEU 482 CO 0.43 -0.99 0.72 1.23 -1.33 0.00 0.00 177.39 177.44 3h1c h GLY 483 N -0.84 0.71 1.94 -0.72 0.00 -1.83 -2.69 103.07 99.64 3h1c h GLY 483 Ca -0.25 -0.60 -0.21 0.00 0.00 0.00 0.00 47.33 46.28 3h1c h GLY 483 CO 0.20 0.54 -0.97 -0.55 0.00 0.00 0.00 176.54 175.76 3h1c h ASP 484 N 0.58 0.07 1.22 0.19 3.32 -1.95 -3.24 116.42 116.61 3h1c h ASP 484 Ca 0.08 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3h1c h ASP 484 Cb 0.71 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3h1c h ASP 484 CO 0.05 1.00 -0.20 -0.33 -1.72 0.00 0.00 179.24 178.04 3h1c h GLU 485 N 0.02 0.00 0.19 3.56 5.08 -1.91 -1.48 114.58 120.04 3h1c h GLU 485 Ca -0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.01 3h1c h GLU 485 Cb 1.69 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.98 3h1c h GLU 485 CO 0.13 0.20 -1.37 0.22 -1.00 0.00 0.00 179.01 177.20 3h1c h ASP 486 N 0.00 0.86 -0.07 1.42 3.58 -1.55 -2.61 116.42 118.05 3h1c h ASP 486 Ca -0.00 -0.86 -0.11 0.00 0.42 0.00 0.00 57.03 56.48 3h1c h ASP 486 Cb 0.87 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 41.65 3h1c h ASP 486 CO 0.03 1.66 -0.37 0.45 -2.88 0.00 0.00 179.24 178.13 3h1c h HIS 487 N 0.21 0.51 -0.43 0.28 3.86 -1.57 -3.31 115.15 114.70 3h1c h HIS 487 Ca -0.22 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 3h1c h HIS 487 Cb 2.05 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 30.44 3h1c h HIS 487 CO 0.12 0.98 0.00 1.28 0.86 0.00 0.00 177.93 181.17 3h1c n LEU 488 N -4.37 2.86 0.00 2.43 4.77 -0.56 -4.86 117.00 117.27 3h1c n LEU 488 Ca -0.08 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 3h1c n LEU 488 Cb 0.53 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3h1c n LEU 488 CO 0.43 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 3h1c n GLY 489 N 1.37 1.04 0.00 -0.72 0.00 -0.98 -4.85 105.19 101.05 3h1c n GLY 489 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3h1c n GLY 489 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1c n ASP 490 N 0.00 0.05 -3.66 1.61 8.00 -0.60 -4.94 116.55 117.01 3h1c n ASP 490 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3h1c n ASP 490 Cb 0.00 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 3h1c n ASP 490 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1c s MET 491 N -1.01 0.97 -0.38 -1.24 0.23 -1.26 -0.36 119.30 116.25 3h1c s MET 491 Ca 0.00 -0.52 -0.01 0.00 -1.03 0.00 0.00 55.69 54.13 3h1c s MET 491 Cb 0.00 0.43 0.10 0.00 -1.53 0.00 0.00 34.83 33.83 3h1c s MET 491 CO 0.00 -0.35 0.13 0.34 -2.03 0.00 0.00 175.02 173.11 3h1c s ASP 492 N -2.34 5.06 -0.77 -1.18 2.15 -1.18 -4.22 116.67 114.19 3h1c s ASP 492 Ca -0.02 -1.99 -0.11 0.00 0.43 0.00 0.00 52.55 50.87 3h1c s ASP 492 Cb 0.00 -1.75 0.20 0.00 -0.30 0.00 0.00 42.92 41.07 3h1c s ASP 492 CO -0.06 -0.46 0.67 0.12 -0.17 0.00 0.00 175.17 175.27 3h1c s PHE 493 N 1.08 3.66 0.00 -5.34 5.36 -0.45 -3.45 117.98 118.83 3h1c s PHE 493 Ca 0.08 -2.23 -0.24 0.00 -0.96 0.00 0.00 56.93 53.57 3h1c s PHE 493 Cb -0.21 -3.63 -0.05 0.00 -0.34 0.00 0.00 43.02 38.79 3h1c s PHE 493 CO -0.05 -0.94 0.74 0.15 -1.46 0.00 0.00 175.22 173.66 3h1c s LYS 494 N 0.06 4.46 -0.06 10.12 1.02 0.18 -0.00 119.74 135.51 3h1c s LYS 494 Ca 0.18 1.00 -0.00 0.00 0.02 0.00 0.00 55.97 57.16 3h1c s LYS 494 Cb -0.13 -3.39 0.03 0.00 -0.52 0.00 0.00 37.83 33.81 3h1c s LYS 494 CO -0.07 0.21 -0.02 0.08 -0.92 0.00 0.00 175.35 174.62 3h1c s VAL 495 N 0.25 0.46 -0.05 3.17 1.01 -0.41 -1.49 120.40 123.34 3h1c s VAL 495 Ca 0.38 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3h1c s VAL 495 Cb -0.19 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.65 3h1c s VAL 495 CO 0.21 0.25 -0.07 0.00 0.00 0.00 0.00 175.10 175.49 3h1c s ALA 496 N 1.52 0.83 0.01 5.51 0.00 -0.02 -1.12 121.76 128.48 3h1c s ALA 496 Ca -0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 3h1c s ALA 496 Cb -0.13 -0.44 0.08 0.00 0.00 0.00 0.00 23.12 22.63 3h1c s ALA 496 CO -0.03 0.04 1.08 0.41 0.00 0.00 0.00 175.76 177.26 3h1c n GLY 497 N 3.89 0.33 0.00 0.00 0.00 -0.01 -0.09 105.19 109.32 3h1c n GLY 497 Ca -0.24 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3h1c n GLY 497 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3h1c n SER 498 N -0.99 0.00 0.05 1.61 2.88 0.32 -1.66 113.62 115.82 3h1c n SER 498 Ca 0.03 -0.41 -0.04 0.00 -1.33 0.00 0.00 58.87 57.11 3h1c n SER 498 Cb 0.50 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.13 3h1c n SER 498 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3h1c h ARG 499 N 0.00 0.38 0.00 -1.46 2.43 -1.95 -3.35 114.38 110.42 3h1c h ARG 499 Ca 0.00 -0.19 -0.39 0.00 -0.81 0.00 0.00 59.98 58.59 3h1c h ARG 499 Cb 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 3h1c h ARG 499 CO 0.00 0.73 -2.47 -0.25 -1.51 0.00 0.00 179.97 176.47 3h1c n ASP 500 N -4.02 1.93 -4.24 -3.80 8.00 -1.26 -5.03 116.55 108.13 3h1c n ASP 500 Ca -0.02 -0.13 -0.24 0.00 0.71 0.00 0.00 54.79 55.11 3h1c n ASP 500 Cb 0.50 -0.38 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 3h1c n ASP 500 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3h1c s GLY 501 N -6.49 2.39 -0.16 0.44 0.00 -1.26 -4.70 107.32 97.55 3h1c s GLY 501 Ca -0.34 -1.51 -0.03 0.00 0.00 0.00 0.00 44.72 42.83 3h1c s GLY 501 CO 0.61 -1.82 -0.04 -0.42 0.00 0.00 0.00 173.10 171.43 3h1c s ILE 502 N -3.27 3.76 -0.18 0.90 1.01 0.07 -0.53 121.20 122.97 3h1c s ILE 502 Ca 0.28 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 3h1c s ILE 502 Cb 0.05 -2.65 -0.22 0.00 0.01 0.00 0.00 42.46 39.65 3h1c s ILE 502 CO 0.15 0.48 0.20 -1.54 0.00 0.00 0.00 174.94 174.23 3h1c n SER 503 N 3.72 2.01 -4.02 3.58 3.41 0.74 -2.55 113.62 120.51 3h1c n SER 503 Ca -0.17 0.26 -0.12 0.00 -0.26 0.00 0.00 58.87 58.58 3h1c n SER 503 Cb 0.52 -0.86 -0.12 0.00 -0.26 0.00 0.00 64.21 63.50 3h1c n SER 503 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1c s ALA 504 N -2.48 0.42 -0.12 7.33 0.00 0.87 -0.32 121.76 127.45 3h1c s ALA 504 Ca -0.27 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 3h1c s ALA 504 Cb 0.07 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.31 3h1c s ALA 504 CO 0.67 -0.05 0.25 -1.17 0.00 0.00 0.00 175.76 175.47 3h1c s LEU 505 N -1.37 -0.27 -0.07 0.00 2.96 -1.24 -0.84 118.68 117.85 3h1c s LEU 505 Ca -0.10 0.57 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 3h1c s LEU 505 Cb -0.09 0.66 -0.02 0.00 0.50 0.00 0.00 46.19 47.24 3h1c s LEU 505 CO -0.00 -0.24 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.07 3h1c s GLN 506 N 2.38 2.75 -0.03 1.98 0.74 -0.56 -2.22 119.66 124.70 3h1c s GLN 506 Ca 0.01 -0.70 0.01 0.00 0.05 0.00 0.00 55.36 54.73 3h1c s GLN 506 Cb -0.12 -2.44 0.02 0.00 1.10 0.00 0.00 33.01 31.57 3h1c s GLN 506 CO -0.08 0.50 -0.01 1.41 -0.55 0.00 0.00 175.29 176.56 3h1c s MET 507 N -0.41 0.39 -0.33 1.67 1.75 0.50 -0.65 119.30 122.23 3h1c s MET 507 Ca 0.05 0.03 0.04 0.00 -1.25 0.00 0.00 55.69 54.55 3h1c s MET 507 Cb -0.12 -0.53 0.17 0.00 2.84 0.00 0.00 34.83 37.18 3h1c s MET 507 CO 0.02 -0.11 0.45 0.16 -0.65 0.00 0.00 175.02 174.89 3h1c s ASP 508 N 0.94 0.14 -0.06 1.11 -4.77 -1.22 -0.07 116.67 112.72 3h1c s ASP 508 Ca -0.10 -0.70 -0.22 0.00 -3.30 0.00 0.00 52.55 48.23 3h1c s ASP 508 Cb -0.13 1.17 -0.04 0.00 -1.09 0.00 0.00 42.92 42.83 3h1c s ASP 508 CO -0.01 -0.30 0.64 -0.63 0.70 0.00 0.00 175.17 175.57 3h1c s ILE 509 N 2.18 5.04 -0.50 2.11 1.09 -0.25 -3.12 121.20 127.76 3h1c s ILE 509 Ca 0.12 1.31 0.24 0.00 -1.10 0.00 0.00 60.65 61.23 3h1c s ILE 509 Cb -0.12 -3.98 0.22 0.00 -1.06 0.00 0.00 42.46 37.52 3h1c s ILE 509 CO -0.20 0.30 1.49 0.50 -0.10 0.00 0.00 174.94 176.94 3h1c h LYS 510 N 6.52 0.00 -5.78 2.79 3.64 -1.02 -3.46 116.57 119.26 3h1c h LYS 510 Ca -0.42 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.42 3h1c h LYS 510 Cb 1.19 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.74 3h1c h LYS 510 CO 0.74 0.00 -0.83 0.96 -2.27 0.00 0.00 179.45 178.05 3h1c s ILE 511 N -3.21 1.45 0.72 2.00 -5.25 -1.25 -4.78 121.20 110.89 3h1c s ILE 511 Ca 0.06 -0.97 -0.11 0.00 -0.99 0.00 0.00 60.65 58.64 3h1c s ILE 511 Cb 0.09 -1.25 0.02 0.00 2.95 0.00 0.00 42.46 44.27 3h1c s ILE 511 CO 0.68 0.26 1.10 -1.61 -1.79 0.00 0.00 174.94 173.58 3h1c s GLU 512 N -0.83 2.73 0.00 0.37 2.02 -1.26 -4.51 118.70 117.23 3h1c s GLU 512 Ca 0.06 0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.54 3h1c s GLU 512 Cb -0.08 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.15 3h1c s GLU 512 CO 0.01 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.57 3h1c n GLY 513 N -2.87 1.21 3.76 -1.39 0.00 -1.26 -5.07 105.19 99.56 3h1c n GLY 513 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3h1c n GLY 513 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3h1c s ILE 514 N -2.00 2.05 0.12 -0.61 2.07 -1.26 -5.01 121.20 116.56 3h1c s ILE 514 Ca 0.00 0.04 0.06 0.00 -1.41 0.00 0.00 60.65 59.35 3h1c s ILE 514 Cb 0.00 -3.03 -0.04 0.00 0.13 0.00 0.00 42.46 39.52 3h1c s ILE 514 CO 0.00 0.01 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.13 3h1c s THR 515 N -0.19 3.78 0.40 4.00 2.01 -1.26 -4.67 115.64 119.71 3h1c s THR 515 Ca 0.62 -1.20 0.16 0.00 0.31 0.00 0.00 61.69 61.58 3h1c s THR 515 Cb -0.48 -2.83 0.16 0.00 0.01 0.00 0.00 72.50 69.37 3h1c s THR 515 CO 0.51 0.04 1.93 0.50 -0.69 0.00 0.00 174.62 176.91 3h1c h LYS 516 N 3.23 0.00 -0.38 4.92 3.64 -2.00 -2.92 116.57 123.06 3h1c h LYS 516 Ca -0.48 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 3h1c h LYS 516 Cb 1.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3h1c h LYS 516 CO 0.57 0.26 0.12 1.49 -2.27 0.00 0.00 179.45 179.62 3h1c h GLU 517 N 0.00 0.60 0.00 1.90 4.81 -2.01 -2.93 114.58 116.95 3h1c h GLU 517 Ca -0.00 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3h1c h GLU 517 Cb 0.48 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3h1c h GLU 517 CO 0.03 0.60 -0.10 -0.84 -0.73 0.00 0.00 179.01 177.97 3h1c h ILE 518 N 0.48 0.18 -0.06 2.32 -0.00 -1.96 -3.11 117.51 115.35 3h1c h ILE 518 Ca 0.12 -1.22 -0.14 0.00 -0.00 0.00 0.00 64.86 63.63 3h1c h ILE 518 Cb 0.25 2.06 -0.01 0.00 -0.00 0.00 0.00 36.82 39.12 3h1c h ILE 518 CO -0.00 0.10 -0.57 0.24 -0.00 0.00 0.00 178.15 177.92 3h1c h MET 519 N 0.00 0.19 -0.12 0.16 2.86 -1.47 -1.78 114.93 114.78 3h1c h MET 519 Ca -0.00 -0.13 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 3h1c h MET 519 Cb 1.05 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 3h1c h MET 519 CO 0.01 0.71 -0.53 0.37 1.06 0.00 0.00 176.91 178.54 3h1c h GLN 520 N 0.15 0.34 0.04 1.72 5.75 -1.45 -2.38 115.11 119.29 3h1c h GLN 520 Ca -0.00 -0.20 -0.21 0.00 -0.15 0.00 0.00 58.65 58.09 3h1c h GLN 520 Cb 1.05 0.02 0.02 0.00 1.07 0.00 0.00 27.48 29.64 3h1c h GLN 520 CO 0.09 0.78 -0.84 0.28 -2.65 0.00 0.00 178.83 176.49 3h1c h VAL 521 N 0.26 1.38 -0.14 2.39 2.07 -1.53 -2.63 116.25 118.05 3h1c h VAL 521 Ca 0.01 -2.25 -0.07 0.00 0.82 0.00 0.00 66.70 65.21 3h1c h VAL 521 Cb 1.01 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 3h1c h VAL 521 CO 0.09 0.66 -0.23 0.00 0.02 0.00 0.00 177.57 178.11 3h1c h ALA 522 N 0.29 1.34 0.00 1.67 0.00 -1.35 -1.44 119.26 119.78 3h1c h ALA 522 Ca -0.12 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3h1c h ALA 522 Cb 1.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3h1c h ALA 522 CO 0.16 0.45 -0.67 1.25 0.00 0.00 0.00 179.25 180.44 3h1c h LEU 523 N 0.23 0.00 -0.09 0.00 5.85 -1.51 -2.92 115.31 116.87 3h1c h LEU 523 Ca 0.04 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.51 3h1c h LEU 523 Cb 0.55 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.59 3h1c h LEU 523 CO 0.04 0.55 -0.95 -1.13 -0.34 0.00 0.00 178.44 176.61 3h1c h ASN 524 N 0.00 0.84 1.00 1.25 -1.24 -1.06 -2.66 115.58 113.70 3h1c h ASN 524 Ca -0.03 -0.64 -0.04 0.00 0.71 0.00 0.00 56.30 56.30 3h1c h ASN 524 Cb 1.44 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 40.23 3h1c h ASN 524 CO 0.07 1.43 -0.21 1.56 -1.29 0.00 0.00 177.43 179.00 3h1c h GLN 525 N 0.40 0.00 0.00 6.67 4.20 -1.37 -2.73 115.11 122.28 3h1c h GLN 525 Ca -0.10 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 3h1c h GLN 525 Cb 1.59 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.35 3h1c h GLN 525 CO 0.18 0.21 -0.60 0.00 -0.67 0.00 0.00 178.83 177.95 3h1c h ALA 526 N 1.79 1.00 -0.17 3.87 0.00 -1.44 -2.42 119.26 121.90 3h1c h ALA 526 Ca -0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 3h1c h ALA 526 Cb 0.76 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3h1c h ALA 526 CO 0.03 0.75 -0.12 -0.22 0.00 0.00 0.00 179.25 179.68 3h1c h LYS 527 N 0.00 0.39 -0.34 0.00 3.64 -1.16 -2.19 116.57 116.90 3h1c h LYS 527 Ca -0.01 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 3h1c h LYS 527 Cb 1.06 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3h1c h LYS 527 CO 0.08 0.72 -0.22 0.78 -2.27 0.00 0.00 179.45 178.54 3h1c h GLY 528 N 0.06 0.71 1.66 5.01 0.00 -1.52 -2.74 103.07 106.25 3h1c h GLY 528 Ca 0.03 -0.58 -0.21 0.00 0.00 0.00 0.00 47.33 46.57 3h1c h GLY 528 CO 0.03 0.53 -0.90 0.00 0.00 0.00 0.00 176.54 176.21 3h1c h ALA 529 N 1.18 0.46 -0.37 3.60 0.00 -1.50 -3.18 119.26 119.46 3h1c h ALA 529 Ca 0.09 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 3h1c h ALA 529 Cb 0.68 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3h1c h ALA 529 CO 0.05 0.86 -0.22 -0.09 0.00 0.00 0.00 179.25 179.85 3h1c h ARG 530 N 0.17 0.71 0.00 0.00 2.43 -1.32 -2.77 114.38 113.60 3h1c h ARG 530 Ca -0.06 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.78 3h1c h ARG 530 Cb 1.52 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 3h1c h ARG 530 CO 0.15 0.87 -0.25 -0.07 -1.51 0.00 0.00 179.97 179.16 3h1c h LEU 531 N 0.63 0.00 -0.09 3.80 3.38 -1.55 -2.85 115.31 118.63 3h1c h LEU 531 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3h1c h LEU 531 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3h1c h LEU 531 CO 0.05 0.25 -0.22 -0.74 0.09 0.00 0.00 178.44 177.87 3h1c h HIS 532 N 0.00 0.41 -0.60 1.13 2.76 -1.47 -2.63 115.15 114.76 3h1c h HIS 532 Ca -0.00 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 57.92 3h1c h HIS 532 Cb 0.69 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 3h1c h HIS 532 CO 0.00 0.84 -0.00 0.82 -1.30 0.00 0.00 177.93 178.28 3h1c h ILE 533 N -0.14 1.26 -0.43 6.26 5.03 -1.54 -2.88 117.51 125.08 3h1c h ILE 533 Ca -0.00 -1.14 -0.01 0.00 -0.12 0.00 0.00 64.86 63.58 3h1c h ILE 533 Cb 0.83 0.80 -0.02 0.00 -3.03 0.00 0.00 36.82 35.40 3h1c h ILE 533 CO 0.05 0.42 0.21 -0.07 -0.68 0.00 0.00 178.15 178.07 3h1c h LEU 534 N 0.95 0.53 -0.92 1.44 3.38 -1.55 -1.01 115.31 118.13 3h1c h LEU 534 Ca 0.17 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3h1c h LEU 534 Cb 0.55 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3h1c h LEU 534 CO 0.03 0.45 -0.11 1.23 0.09 0.00 0.00 178.44 180.14 3h1c h GLY 535 N 0.71 0.73 1.64 0.83 0.00 -1.25 -1.33 103.07 104.39 3h1c h GLY 535 Ca 0.15 -0.53 -0.21 0.00 0.00 0.00 0.00 47.33 46.74 3h1c h GLY 535 CO -0.02 0.49 -0.90 -2.08 0.00 0.00 0.00 176.54 174.03 3h1c h VAL 536 N 0.62 1.44 -0.09 4.60 2.07 -1.34 -3.19 116.25 120.34 3h1c h VAL 536 Ca 0.11 -2.49 -0.08 0.00 0.82 0.00 0.00 66.70 65.06 3h1c h VAL 536 Cb 0.55 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3h1c h VAL 536 CO 0.03 0.74 -0.31 0.24 0.02 0.00 0.00 177.57 178.29 3h1c h MET 537 N 0.18 0.17 0.00 1.57 2.07 -0.97 -2.79 114.93 115.17 3h1c h MET 537 Ca -0.06 -0.06 -0.07 0.00 -2.07 0.00 0.00 59.70 57.44 3h1c h MET 537 Cb 1.52 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 31.23 3h1c h MET 537 CO 0.15 0.48 -0.31 0.93 1.07 0.00 0.00 176.91 179.22 3h1c h GLU 538 N 0.15 0.00 0.00 1.72 5.08 -1.26 -3.04 114.58 117.23 3h1c h GLU 538 Ca 0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3h1c h GLU 538 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3h1c h GLU 538 CO 0.05 0.31 -0.41 1.96 -1.00 0.00 0.00 179.01 179.92 3h1c h GLN 539 N 0.00 0.00 0.00 2.33 4.20 -1.48 -3.32 115.11 116.83 3h1c h GLN 539 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h1c h GLN 539 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3h1c h GLN 539 CO 0.04 0.41 -0.01 0.00 -0.67 0.00 0.00 178.83 178.60 3h1c h ALA 540 N 1.59 0.00 -3.27 3.87 0.00 -1.60 -3.48 119.26 116.36 3h1c h ALA 540 Ca -0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 3h1c h ALA 540 Cb 0.77 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.36 3h1c h ALA 540 CO 0.05 0.01 -0.76 0.96 0.00 0.00 0.00 179.25 179.51 3h1c s ILE 541 N -1.28 0.88 -0.06 0.00 -4.36 -1.16 -5.08 121.20 110.14 3h1c s ILE 541 Ca -0.00 -1.24 -0.06 0.00 -0.26 0.00 0.00 60.65 59.08 3h1c s ILE 541 Cb 0.00 -0.91 -0.04 0.00 1.25 0.00 0.00 42.46 42.77 3h1c s ILE 541 CO 0.00 -0.31 -0.14 0.59 0.24 0.00 0.00 174.94 175.32 3h1c n ASN 542 N 1.30 1.13 -4.56 4.36 3.02 -1.26 -4.11 115.26 115.15 3h1c n ASN 542 Ca -0.21 0.18 -0.34 0.00 -0.03 0.00 0.00 54.58 54.18 3h1c n ASN 542 Cb 0.55 -0.42 -0.12 0.00 -0.61 0.00 0.00 39.78 39.18 3h1c n ASN 542 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1c s ALA 543 N -2.29 2.95 -2.00 5.41 0.00 -1.26 -4.93 121.76 119.65 3h1c s ALA 543 Ca -0.13 -0.88 0.14 0.00 0.00 0.00 0.00 51.96 51.08 3h1c s ALA 543 Cb 0.04 -1.26 0.82 0.00 0.00 0.00 0.00 23.12 22.72 3h1c s ALA 543 CO 0.18 0.51 1.25 -0.35 0.00 0.00 0.00 175.76 177.35