#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1c s ASN 3 N 0.00 1.67 0.29 1.96 0.01 -1.26 -5.12 114.94 112.49 3h1c s ASN 3 Ca 0.00 -0.27 -0.16 0.00 -0.71 0.00 0.00 52.86 51.72 3h1c s ASN 3 Cb 0.00 -0.52 -0.09 0.00 0.41 0.00 0.00 41.25 41.05 3h1c s ASN 3 CO 0.00 0.09 0.73 -2.16 -1.51 0.00 0.00 177.10 174.25 3h1c s PRO 4 N 0.24 4.08 -0.35 -0.60 0.04 -1.26 -4.30 135.00 132.85 3h1c s PRO 4 Ca -0.06 0.73 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 3h1c s PRO 4 Cb -0.11 -2.57 0.08 0.00 0.04 0.00 0.00 34.50 31.94 3h1c s PRO 4 CO 0.02 0.23 0.09 0.42 0.04 0.00 0.00 177.00 177.80 3h1c s ILE 5 N -1.84 3.04 -0.09 0.56 1.01 -0.72 -5.00 121.20 118.17 3h1c s ILE 5 Ca 0.51 -1.78 0.03 0.00 0.00 0.00 0.00 60.65 59.40 3h1c s ILE 5 Cb -0.12 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 3h1c s ILE 5 CO 0.18 -0.41 -0.17 -0.69 0.00 0.00 0.00 174.94 173.85 3h1c s VAL 6 N 1.16 2.76 -0.06 2.92 1.01 -1.26 -2.43 120.40 124.51 3h1c s VAL 6 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3h1c s VAL 6 Cb -0.21 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.08 3h1c s VAL 6 CO -0.03 0.56 -0.14 -0.13 0.00 0.00 0.00 175.10 175.35 3h1c s ARG 7 N -0.09 1.82 -0.09 2.72 0.52 -0.80 -5.01 118.95 118.02 3h1c s ARG 7 Ca -0.03 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 3h1c s ARG 7 Cb -0.14 -1.50 -0.00 0.00 0.52 0.00 0.00 34.95 33.83 3h1c s ARG 7 CO 0.04 0.09 -0.24 0.15 0.02 0.00 0.00 175.30 175.37 3h1c s LYS 8 N 0.48 2.93 -0.01 3.54 1.02 -1.26 -1.79 119.74 124.64 3h1c s LYS 8 Ca -0.12 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 54.97 3h1c s LYS 8 Cb -0.15 -2.24 -0.00 0.00 -0.52 0.00 0.00 37.83 34.92 3h1c s LYS 8 CO 0.04 0.19 0.07 -0.59 -0.92 0.00 0.00 175.35 174.14 3h1c s PHE 9 N 0.30 0.03 -0.13 3.18 -0.71 -1.14 -5.03 117.98 114.49 3h1c s PHE 9 Ca -0.17 -0.06 -0.29 0.00 -1.04 0.00 0.00 56.93 55.36 3h1c s PHE 9 Cb -0.17 -0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 41.57 3h1c s PHE 9 CO 0.08 -0.15 1.16 -1.14 -1.34 0.00 0.00 175.22 173.84 3h1c s GLN 10 N -0.72 4.31 -0.35 1.99 2.00 -1.26 -2.09 119.66 123.54 3h1c s GLN 10 Ca -0.08 1.57 0.01 0.00 -2.00 0.00 0.00 55.36 54.86 3h1c s GLN 10 Cb -0.05 -3.63 0.11 0.00 0.80 0.00 0.00 33.01 30.24 3h1c s GLN 10 CO 0.00 -0.54 0.12 -0.47 -0.50 0.00 0.00 175.29 173.91 3h1c s TYR 11 N 2.76 2.22 0.00 1.67 5.04 0.36 -4.98 117.35 124.43 3h1c s TYR 11 Ca 0.52 -2.19 0.00 0.00 -2.44 0.00 0.00 57.07 52.96 3h1c s TYR 11 Cb -0.21 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.07 3h1c s TYR 11 CO 0.16 -0.87 0.00 0.41 -1.34 0.00 0.00 175.55 173.92 3h1c n GLY 12 N 4.38 1.55 0.00 8.97 0.00 -1.26 -2.28 105.19 116.55 3h1c n GLY 12 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3h1c n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1c n GLN 13 N 0.00 6.23 -4.49 1.61 1.13 -1.26 -5.07 117.38 115.53 3h1c n GLN 13 Ca 0.00 -0.01 -0.25 0.00 -1.94 0.00 0.00 57.00 54.81 3h1c n GLN 13 Cb 0.00 -0.46 -0.10 0.00 0.11 0.00 0.00 30.24 29.79 3h1c n GLN 13 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3h1c s HIS 14 N -0.89 2.34 -0.32 1.08 3.76 -0.97 -5.12 115.29 115.16 3h1c s HIS 14 Ca 0.00 -0.38 -0.09 0.00 -0.15 0.00 0.00 55.06 54.44 3h1c s HIS 14 Cb 0.00 -1.13 0.01 0.00 1.11 0.00 0.00 32.58 32.57 3h1c s HIS 14 CO 0.00 0.67 0.14 0.95 -0.85 0.00 0.00 174.74 175.65 3h1c s THR 15 N -2.54 4.36 -0.18 1.30 -4.23 -1.25 -0.48 115.64 112.62 3h1c s THR 15 Ca 0.31 -0.66 -0.20 0.00 -1.18 0.00 0.00 61.69 59.96 3h1c s THR 15 Cb -0.03 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.48 3h1c s THR 15 CO 0.16 -0.03 0.59 -0.69 -0.54 0.00 0.00 174.62 174.11 3h1c s VAL 16 N 1.55 5.06 -0.15 2.29 1.01 -0.89 -4.46 120.40 124.82 3h1c s VAL 16 Ca 0.03 1.12 -0.03 0.00 0.00 0.00 0.00 61.98 63.10 3h1c s VAL 16 Cb -0.18 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 3h1c s VAL 16 CO 0.05 0.16 -0.06 -0.89 0.00 0.00 0.00 175.10 174.36 3h1c s THR 17 N 1.64 3.73 -0.19 3.92 2.01 0.90 -2.87 115.64 124.78 3h1c s THR 17 Ca 0.28 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.87 3h1c s THR 17 Cb -0.16 -2.62 0.03 0.00 0.01 0.00 0.00 72.50 69.76 3h1c s THR 17 CO 0.11 0.50 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.59 3h1c s LEU 18 N 0.35 2.28 -0.07 4.42 1.43 -0.74 -1.40 118.68 124.94 3h1c s LEU 18 Ca -0.06 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 3h1c s LEU 18 Cb -0.15 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3h1c s LEU 18 CO 0.04 -0.03 -0.19 -0.70 0.23 0.00 0.00 176.35 175.70 3h1c s GLU 19 N 1.28 2.26 0.09 1.70 2.12 -0.89 -1.90 118.70 123.35 3h1c s GLU 19 Ca 0.03 -0.66 -0.10 0.00 0.36 0.00 0.00 54.97 54.60 3h1c s GLU 19 Cb -0.14 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.44 3h1c s GLU 19 CO -0.12 0.16 0.22 -0.08 -0.54 0.00 0.00 175.26 174.90 3h1c s THR 20 N 0.33 0.13 0.00 -1.70 -1.32 -1.02 -0.38 115.64 111.69 3h1c s THR 20 Ca -0.13 -1.08 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 3h1c s THR 20 Cb -0.15 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.55 3h1c s THR 20 CO 0.05 -0.60 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 3h1c n GLY 21 N -0.04 1.39 0.33 6.08 0.00 -1.26 -1.75 105.19 109.95 3h1c n GLY 21 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.55 0.23 -2.63 1.61 0.00 -1.26 -4.79 117.12 108.73 3h1c n MET 22 Ca 0.00 0.09 -0.41 0.00 0.00 0.00 0.00 57.70 57.38 3h1c n MET 22 Cb 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 33.22 32.33 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 -1.99 4.69 -0.89 2.12 -1.94 -1.26 -4.16 119.30 115.87 3h1c s MET 23 Ca -0.12 1.59 -0.06 0.00 -1.71 0.00 0.00 55.69 55.38 3h1c s MET 23 Cb 0.02 -3.30 0.00 0.00 2.01 0.00 0.00 34.83 33.55 3h1c s MET 23 CO 0.18 0.23 0.67 0.00 -0.01 0.00 0.00 175.02 176.10 3h1c n ALA 24 N 2.23 -2.66 0.21 3.03 0.00 -1.26 -4.65 120.51 117.41 3h1c n ALA 24 Ca 0.01 -0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.35 3h1c n ALA 24 Cb 0.47 -1.75 0.30 0.00 0.00 0.00 0.00 19.45 18.48 3h1c n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1c h ARG 25 N -0.55 0.00 0.00 0.00 3.08 -1.90 -3.23 114.38 111.78 3h1c h ARG 25 Ca -0.47 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.54 3h1c h ARG 25 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 3h1c h ARG 25 CO 0.38 0.16 -0.17 0.37 -1.07 0.00 0.00 179.97 179.65 3h1c h GLN 26 N 0.00 0.00 -7.51 0.04 4.15 -1.95 -3.45 115.11 106.40 3h1c h GLN 26 Ca -0.00 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.94 3h1c h GLN 26 Cb 0.94 0.00 0.10 0.00 0.21 0.00 0.00 27.48 28.73 3h1c h GLN 26 CO 0.02 0.17 0.37 0.00 -1.93 0.00 0.00 178.83 177.46 3h1c s ALA 27 N -3.36 2.43 0.17 3.38 0.00 -1.22 -4.99 121.76 118.17 3h1c s ALA 27 Ca 0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 3h1c s ALA 27 Cb 0.08 -3.03 0.08 0.00 0.00 0.00 0.00 23.12 20.25 3h1c s ALA 27 CO 0.65 -1.69 1.73 1.15 0.00 0.00 0.00 175.76 177.60 3h1c h THR 28 N -1.06 1.23 -2.06 0.00 2.02 -1.84 -3.45 112.91 107.75 3h1c h THR 28 Ca -0.47 -0.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.94 3h1c h THR 28 Cb 1.30 0.58 -0.21 0.00 -1.74 0.00 0.00 68.15 68.08 3h1c h THR 28 CO 0.63 0.28 0.11 0.00 0.37 0.00 0.00 175.52 176.91 3h1c s ALA 29 N -5.54 -1.72 -0.07 6.16 0.00 -1.15 -4.55 121.76 114.89 3h1c s ALA 29 Ca -0.13 1.86 -0.03 0.00 0.00 0.00 0.00 51.96 53.66 3h1c s ALA 29 Cb 0.13 -0.97 0.04 0.00 0.00 0.00 0.00 23.12 22.32 3h1c s ALA 29 CO 0.80 -0.33 0.13 0.00 0.00 0.00 0.00 175.76 176.35 3h1c s ALA 30 N 0.14 -0.08 -0.06 0.00 0.00 -1.26 -1.84 121.76 118.65 3h1c s ALA 30 Ca -0.02 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.46 3h1c s ALA 30 Cb -0.04 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.39 3h1c s ALA 30 CO 0.02 -0.46 -0.16 0.08 0.00 0.00 0.00 175.76 175.24 3h1c s VAL 31 N 2.03 1.38 -0.59 0.00 1.01 -0.79 -4.26 120.40 119.18 3h1c s VAL 31 Ca 0.01 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 3h1c s VAL 31 Cb -0.12 -1.22 0.12 0.00 0.00 0.00 0.00 36.38 35.16 3h1c s VAL 31 CO -0.05 0.41 0.66 -0.32 0.00 0.00 0.00 175.10 175.79 3h1c s MET 32 N 0.38 3.06 -0.23 2.72 1.75 0.49 -2.17 119.30 125.31 3h1c s MET 32 Ca -0.11 -1.49 -0.11 0.00 -1.25 0.00 0.00 55.69 52.73 3h1c s MET 32 Cb -0.15 -4.30 -0.05 0.00 2.84 0.00 0.00 34.83 33.18 3h1c s MET 32 CO 0.04 -1.48 0.16 0.08 -0.65 0.00 0.00 175.02 173.18 3h1c s VAL 33 N 2.26 5.36 -0.02 10.11 1.01 -1.04 -2.10 120.40 135.99 3h1c s VAL 33 Ca 0.10 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 3h1c s VAL 33 Cb -0.25 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.64 3h1c s VAL 33 CO 0.04 0.36 0.04 -0.94 0.00 0.00 0.00 175.10 174.60 3h1c s SER 34 N 0.95 -0.00 0.00 3.32 1.04 -0.50 -0.96 113.70 117.55 3h1c s SER 34 Ca 0.08 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3h1c s SER 34 Cb -0.13 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.01 3h1c s SER 34 CO 0.04 -0.07 0.00 0.23 0.98 0.00 0.00 173.24 174.42 3h1c n MET 35 N 3.59 0.00 -3.37 4.02 2.81 -0.46 -0.07 117.12 123.64 3h1c n MET 35 Ca -0.19 0.01 -0.18 0.00 -1.81 0.00 0.00 57.70 55.53 3h1c n MET 35 Cb 0.55 -0.26 -0.08 0.00 -0.71 0.00 0.00 33.22 32.72 3h1c n MET 35 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3h1c s ASP 36 N -2.40 1.34 0.00 7.83 1.11 -1.26 -3.97 116.67 119.33 3h1c s ASP 36 Ca 0.00 -1.65 0.00 0.00 0.18 0.00 0.00 52.55 51.08 3h1c s ASP 36 Cb 0.00 0.46 0.00 0.00 1.07 0.00 0.00 42.92 44.45 3h1c s ASP 36 CO 0.00 -0.26 0.00 0.47 1.18 0.00 0.00 175.17 176.56 3h1c n ASP 37 N 4.22 0.00 -4.44 0.27 9.92 -1.26 -4.59 116.55 120.67 3h1c n ASP 37 Ca 0.11 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.07 3h1c n ASP 37 Cb 0.44 -0.22 -0.13 0.00 -0.64 0.00 0.00 41.12 40.58 3h1c n ASP 37 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3h1c s THR 38 N -3.20 2.68 -0.12 -3.53 2.01 -1.26 -2.44 115.64 109.78 3h1c s THR 38 Ca 0.00 -1.24 -0.09 0.00 0.31 0.00 0.00 61.69 60.68 3h1c s THR 38 Cb 0.00 -2.12 0.04 0.00 0.01 0.00 0.00 72.50 70.43 3h1c s THR 38 CO 0.00 0.33 0.30 0.00 -0.69 0.00 0.00 174.62 174.56 3h1c s ALA 39 N -0.91 -0.72 -0.11 7.40 0.00 0.18 -1.36 121.76 126.23 3h1c s ALA 39 Ca 0.14 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3h1c s ALA 39 Cb -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3h1c s ALA 39 CO 0.05 -0.18 -0.13 0.08 0.00 0.00 0.00 175.76 175.58 3h1c s VAL 40 N 0.67 1.38 -0.39 0.00 1.01 -0.13 -2.24 120.40 120.71 3h1c s VAL 40 Ca -0.04 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 3h1c s VAL 40 Cb -0.06 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.05 3h1c s VAL 40 CO -0.04 0.42 0.49 0.12 0.00 0.00 0.00 175.10 176.08 3h1c s PHE 41 N 1.13 3.16 -0.12 5.22 5.36 0.33 -2.48 117.98 130.59 3h1c s PHE 41 Ca -0.04 -0.07 0.01 0.00 -0.96 0.00 0.00 56.93 55.87 3h1c s PHE 41 Cb -0.14 -2.95 -0.02 0.00 -0.34 0.00 0.00 43.02 39.57 3h1c s PHE 41 CO -0.03 -0.63 -0.14 0.08 -1.46 0.00 0.00 175.22 173.04 3h1c s VAL 42 N 2.32 3.01 0.02 3.12 1.01 -0.92 -0.94 120.40 128.03 3h1c s VAL 42 Ca 0.16 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3h1c s VAL 42 Cb -0.16 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3h1c s VAL 42 CO 0.14 0.54 -0.18 0.42 0.00 0.00 0.00 175.10 176.02 3h1c s THR 43 N 0.18 1.40 -0.02 3.92 -4.23 0.29 -1.89 115.64 115.29 3h1c s THR 43 Ca -0.08 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.51 3h1c s THR 43 Cb -0.15 -1.21 -0.01 0.00 1.34 0.00 0.00 72.50 72.47 3h1c s THR 43 CO 0.05 0.21 -0.18 0.68 -0.54 0.00 0.00 174.62 174.84 3h1c s VAL 44 N -0.67 1.48 -0.13 2.29 -7.23 -0.77 -0.61 120.40 114.76 3h1c s VAL 44 Ca 0.06 -0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 59.43 3h1c s VAL 44 Cb -0.08 -1.24 0.03 0.00 0.56 0.00 0.00 36.38 35.66 3h1c s VAL 44 CO 0.01 0.42 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.48 3h1c s VAL 45 N -0.33 0.91 -0.16 1.32 1.01 -1.00 -2.92 120.40 119.23 3h1c s VAL 45 Ca 0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3h1c s VAL 45 Cb -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3h1c s VAL 45 CO -0.00 0.25 0.03 -0.83 0.00 0.00 0.00 175.10 174.54 3h1c s GLY 46 N 1.74 1.85 -0.03 4.51 0.00 -1.26 -2.28 107.32 111.85 3h1c s GLY 46 Ca 0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 3h1c s GLY 46 CO -0.08 -0.07 1.27 1.62 0.00 0.00 0.00 173.10 175.84 3h1c s GLN 47 N 0.17 4.33 0.13 2.90 2.00 -0.39 -4.94 119.66 123.86 3h1c s GLN 47 Ca 0.02 1.77 -0.13 0.00 -2.00 0.00 0.00 55.36 55.03 3h1c s GLN 47 Cb -0.13 -3.55 -0.02 0.00 0.80 0.00 0.00 33.01 30.11 3h1c s GLN 47 CO 0.01 -0.48 1.52 0.87 -0.50 0.00 0.00 175.29 176.71 3h1c h LYS 48 N 7.55 0.84 -5.19 1.67 1.79 -1.98 -3.43 116.57 117.83 3h1c h LYS 48 Ca -0.36 -0.35 -0.64 0.00 -2.18 0.00 0.00 60.65 57.12 3h1c h LYS 48 Cb 1.17 -0.03 -0.23 0.00 -1.58 0.00 0.00 32.23 31.55 3h1c h LYS 48 CO 0.89 0.98 -0.68 0.15 -1.08 0.00 0.00 179.45 179.71 3h1c s LYS 49 N -4.70 3.59 0.48 3.15 1.02 -1.26 -5.10 119.74 116.91 3h1c s LYS 49 Ca -0.12 -0.55 -0.19 0.00 0.02 0.00 0.00 55.97 55.14 3h1c s LYS 49 Cb 0.11 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 3h1c s LYS 49 CO 0.84 0.09 0.98 0.00 -0.92 0.00 0.00 175.35 176.33 3h1c s ALA 50 N 0.77 3.03 0.12 5.17 0.00 -1.26 -4.91 121.76 124.68 3h1c s ALA 50 Ca -0.01 0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 3h1c s ALA 50 Cb -0.14 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 3h1c s ALA 50 CO 0.02 -0.11 1.36 0.21 0.00 0.00 0.00 175.76 177.23 3h1c s LYS 51 N -3.65 4.34 0.52 0.00 2.47 -1.26 -4.93 119.74 117.24 3h1c s LYS 51 Ca 0.61 2.04 0.18 0.00 -1.56 0.00 0.00 55.97 57.24 3h1c s LYS 51 Cb -0.10 -3.25 1.32 0.00 -1.46 0.00 0.00 37.83 34.34 3h1c s LYS 51 CO 0.23 -0.39 2.14 -1.00 0.16 0.00 0.00 175.35 176.49 3h1c h PRO 52 N 6.62 0.00 -2.22 4.03 0.13 -2.01 -3.05 132.00 135.50 3h1c h PRO 52 Ca -0.42 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.01 3h1c h PRO 52 Cb 1.21 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.99 3h1c h PRO 52 CO 0.85 0.03 0.16 0.41 -0.23 0.00 0.00 178.00 179.22 3h1c n GLY 53 N -1.42 5.86 3.13 1.56 0.00 -1.26 -5.01 105.19 108.06 3h1c n GLY 53 Ca -0.03 -2.68 -0.24 0.00 0.00 0.00 0.00 46.02 43.06 3h1c n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h1c s GLN 54 N -3.88 1.44 0.00 1.61 2.00 -1.16 -5.03 119.66 114.64 3h1c s GLN 54 Ca 0.45 -0.57 0.00 0.00 -2.00 0.00 0.00 55.36 53.23 3h1c s GLN 54 Cb 0.26 -1.34 0.00 0.00 0.80 0.00 0.00 33.01 32.73 3h1c s GLN 54 CO -0.15 0.31 0.00 -0.40 -0.50 0.00 0.00 175.29 174.54 3h1c n ASP 55 N 2.85 3.12 -4.88 6.67 5.75 -1.26 -5.03 116.55 123.77 3h1c n ASP 55 Ca -0.16 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.35 3h1c n ASP 55 Cb 0.54 0.17 -0.04 0.00 -1.03 0.00 0.00 41.12 40.76 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 -1.69 3.34 -0.34 2.11 -0.12 -1.26 -4.99 117.98 115.03 3h1c s PHE 56 Ca 0.00 0.07 -0.26 0.00 -0.05 0.00 0.00 56.93 56.69 3h1c s PHE 56 Cb 0.00 -1.61 0.01 0.00 -0.63 0.00 0.00 43.02 40.79 3h1c s PHE 56 CO 0.00 0.52 0.94 0.12 -0.05 0.00 0.00 175.22 176.76 3h1c s PHE 57 N -1.70 3.12 -0.61 3.49 5.36 -1.26 -4.84 117.98 121.54 3h1c s PHE 57 Ca 0.33 0.91 -0.22 0.00 -0.96 0.00 0.00 56.93 56.99 3h1c s PHE 57 Cb -0.11 -3.58 0.07 0.00 -0.34 0.00 0.00 43.02 39.06 3h1c s PHE 57 CO 0.26 -0.76 0.87 -1.25 -1.46 0.00 0.00 175.22 172.88 3h1c s PRO 58 N 3.43 3.13 -0.19 10.12 0.04 -1.26 -5.02 135.00 145.25 3h1c s PRO 58 Ca 0.39 -0.84 -0.02 0.00 0.04 0.00 0.00 61.00 60.57 3h1c s PRO 58 Cb -0.12 -4.19 -0.00 0.00 0.04 0.00 0.00 34.50 30.22 3h1c s PRO 58 CO 0.17 -1.63 -0.09 -1.17 0.04 0.00 0.00 177.00 174.31 3h1c s LEU 59 N 3.59 2.70 -0.13 -3.56 0.20 -1.26 -3.02 118.68 117.20 3h1c s LEU 59 Ca 0.20 -0.43 -0.00 0.00 0.69 0.00 0.00 54.13 54.59 3h1c s LEU 59 Cb -0.18 -1.66 0.02 0.00 -0.43 0.00 0.00 46.19 43.95 3h1c s LEU 59 CO 0.11 0.02 -0.10 0.28 -0.29 0.00 0.00 176.35 176.37 3h1c s THR 60 N 1.22 1.29 -0.24 3.68 -1.32 -1.15 -5.07 115.64 114.05 3h1c s THR 60 Ca 0.02 -0.47 -0.07 0.00 -1.21 0.00 0.00 61.69 59.96 3h1c s THR 60 Cb -0.14 -1.26 -0.03 0.00 -1.51 0.00 0.00 72.50 69.56 3h1c s THR 60 CO -0.04 0.39 0.05 -0.69 -2.21 0.00 0.00 174.62 172.13 3h1c s VAL 61 N 1.60 4.20 -0.51 5.08 1.01 -1.26 -1.68 120.40 128.83 3h1c s VAL 61 Ca 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 3h1c s VAL 61 Cb -0.13 -2.95 0.13 0.00 0.00 0.00 0.00 36.38 33.44 3h1c s VAL 61 CO -0.09 0.37 0.34 0.20 0.00 0.00 0.00 175.10 175.92 3h1c s ASN 62 N 1.44 5.44 -0.35 3.32 0.01 0.25 -4.96 114.94 120.10 3h1c s ASN 62 Ca 0.05 -2.30 -0.15 0.00 -0.71 0.00 0.00 52.86 49.75 3h1c s ASN 62 Cb -0.15 -1.90 -0.01 0.00 0.41 0.00 0.00 41.25 39.60 3h1c s ASN 62 CO 0.03 -0.53 0.37 -0.47 -1.51 0.00 0.00 177.10 174.98 3h1c s TYR 63 N 0.76 3.21 0.09 2.20 5.04 -1.26 -1.67 117.35 125.73 3h1c s TYR 63 Ca 0.11 -0.07 0.07 0.00 -2.44 0.00 0.00 57.07 54.74 3h1c s TYR 63 Cb -0.22 -2.69 -0.04 0.00 0.35 0.00 0.00 41.96 39.36 3h1c s TYR 63 CO -0.03 -0.46 -0.13 1.14 -1.34 0.00 0.00 175.55 174.72 3h1c s GLN 64 N 2.02 2.03 -0.32 4.97 -2.07 -0.39 -4.82 119.66 121.07 3h1c s GLN 64 Ca 0.12 -1.05 0.02 0.00 -1.82 0.00 0.00 55.36 52.62 3h1c s GLN 64 Cb -0.17 -2.24 0.10 0.00 -1.09 0.00 0.00 33.01 29.61 3h1c s GLN 64 CO 0.12 0.51 0.06 -1.21 -1.32 0.00 0.00 175.29 173.45 3h1c s GLU 65 N -2.05 1.17 0.43 9.60 2.02 -1.26 -2.19 118.70 126.42 3h1c s GLU 65 Ca 0.19 -1.49 -0.22 0.00 0.02 0.00 0.00 54.97 53.47 3h1c s GLU 65 Cb -0.11 -2.66 -0.09 0.00 0.10 0.00 0.00 34.13 31.37 3h1c s GLU 65 CO 0.11 -0.94 1.01 1.03 0.02 0.00 0.00 175.26 176.49 3h1c s ARG 66 N 1.23 4.09 0.37 1.61 1.81 -1.24 -4.98 118.95 121.83 3h1c s ARG 66 Ca 0.09 1.33 0.23 0.00 -1.72 0.00 0.00 55.73 55.67 3h1c s ARG 66 Cb -0.18 -2.30 0.27 0.00 -0.45 0.00 0.00 34.95 32.28 3h1c s ARG 66 CO -0.15 -0.18 1.47 1.79 -0.68 0.00 0.00 175.30 177.55 3h1c h THR 67 N 1.92 0.00 0.00 0.02 1.35 -1.90 -3.29 112.91 111.01 3h1c h THR 67 Ca -0.49 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 3h1c h THR 67 Cb 1.21 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3h1c h THR 67 CO 0.61 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 3h1c n TYR 68 N -2.95 0.00 0.20 4.73 4.11 -1.24 -2.91 117.16 119.09 3h1c n TYR 68 Ca 0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.98 3h1c n TYR 68 Cb 0.53 -0.41 0.40 0.00 -0.00 0.00 0.00 39.34 39.86 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 2.84 1.27 -0.24 -3.48 0.00 -1.74 -2.93 119.26 114.97 3h1c h ALA 69 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3h1c h ALA 69 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3h1c h ALA 69 CO 0.00 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3h1c n ALA 70 N -2.40 2.39 -2.81 0.00 0.00 -1.17 -2.41 120.51 114.11 3h1c n ALA 70 Ca -0.02 -1.56 -0.10 0.00 0.00 0.00 0.00 53.44 51.76 3h1c n ALA 70 Cb 0.41 -0.44 0.05 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.08 -0.05 3.52 0.00 0.00 -1.11 -5.07 105.19 102.41 3h1c n GLY 71 Ca 0.13 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 3h1c n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h1c s ARG 72 N -4.72 1.00 1.10 1.61 1.70 -1.15 -5.04 118.95 113.46 3h1c s ARG 72 Ca 0.02 0.16 -0.18 0.00 -0.47 0.00 0.00 55.73 55.26 3h1c s ARG 72 Cb -0.00 0.47 0.25 0.00 -0.57 0.00 0.00 34.95 35.10 3h1c s ARG 72 CO 0.43 -0.33 1.23 0.42 -1.08 0.00 0.00 175.30 175.97 3h1c s ILE 73 N -1.45 1.79 -0.24 4.99 1.09 -1.26 -3.71 121.20 122.40 3h1c s ILE 73 Ca -0.08 0.00 -0.08 0.00 -1.10 0.00 0.00 60.65 59.39 3h1c s ILE 73 Cb -0.00 -2.76 -0.04 0.00 -1.06 0.00 0.00 42.46 38.60 3h1c s ILE 73 CO 0.06 0.00 0.10 -2.16 -0.10 0.00 0.00 174.94 172.84 3h1c s PRO 74 N -5.71 3.82 -1.00 2.79 0.04 -1.26 -4.96 135.00 128.73 3h1c s PRO 74 Ca 0.73 -0.40 -0.24 0.00 0.04 0.00 0.00 61.00 61.14 3h1c s PRO 74 Cb -0.06 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 3h1c s PRO 74 CO 0.55 -0.07 1.91 0.20 0.04 0.00 0.00 177.00 179.63 3h1c s GLY 75 N 1.33 0.28 0.29 0.56 0.00 -1.26 -4.42 107.32 104.10 3h1c s GLY 75 Ca 0.06 -1.77 -0.11 0.00 0.00 0.00 0.00 44.72 42.90 3h1c s GLY 75 CO 0.05 3.44 0.53 -1.35 0.00 0.00 0.00 173.10 175.77 3h1c s SER 76 N 7.33 0.19 0.21 1.64 1.04 -1.26 -5.02 113.70 117.82 3h1c s SER 76 Ca 0.68 -1.10 0.02 0.00 0.48 0.00 0.00 55.95 56.03 3h1c s SER 76 Cb -0.04 0.65 0.16 0.00 0.10 0.00 0.00 66.02 66.89 3h1c s SER 76 CO 0.03 -1.27 1.50 0.15 0.98 0.00 0.00 173.24 174.63 3h1c h PHE 77 N 2.17 0.41 0.00 5.02 3.57 -1.96 -3.21 116.94 122.93 3h1c h PHE 77 Ca -0.27 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3h1c h PHE 77 Cb 1.25 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.92 3h1c h PHE 77 CO 0.83 0.88 -1.09 1.19 -2.23 0.00 0.00 178.31 177.88 3h1c n PHE 78 N -3.85 0.30 -3.59 0.41 3.01 -1.26 -4.99 117.46 107.49 3h1c n PHE 78 Ca -0.03 0.09 -0.22 0.00 1.01 0.00 0.00 57.45 58.29 3h1c n PHE 78 Cb 0.66 -0.48 0.08 0.00 -0.01 0.00 0.00 39.48 39.73 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 -2.03 -7.19 -3.78 -1.08 5.12 -1.22 -5.02 116.66 101.46 3h1c n ARG 79 Ca 0.01 0.80 -0.13 0.00 -1.93 0.00 0.00 57.85 56.61 3h1c n ARG 79 Cb 0.45 -5.81 -0.10 0.00 -1.16 0.00 0.00 32.46 25.85 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 -6.05 0.53 0.06 5.56 3.52 -1.26 -4.69 118.95 116.61 3h1c s ARG 80 Ca 0.39 0.00 -0.31 0.00 -0.13 0.00 0.00 55.73 55.69 3h1c s ARG 80 Cb -0.18 0.24 -0.06 0.00 -1.56 0.00 0.00 34.95 33.39 3h1c s ARG 80 CO 0.74 -0.12 1.28 -1.83 -0.81 0.00 0.00 175.30 174.56 3h1c s GLU 81 N -0.79 4.37 0.00 5.12 4.04 -1.26 -4.91 118.70 125.27 3h1c s GLU 81 Ca -0.09 1.87 0.00 0.00 0.04 0.00 0.00 54.97 56.79 3h1c s GLU 81 Cb -0.04 -3.37 0.00 0.00 0.02 0.00 0.00 34.13 30.73 3h1c s GLU 81 CO 0.02 -0.37 0.00 0.41 -1.84 0.00 0.00 175.26 173.49 3h1c n GLY 82 N 3.36 0.14 3.71 -3.83 0.00 -1.26 -5.09 105.19 102.23 3h1c n GLY 82 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 4.46 0.29 1.61 3.52 -1.26 -5.03 118.95 122.53 3h1c s ARG 83 Ca 0.00 0.97 -0.29 0.00 -0.13 0.00 0.00 55.73 56.28 3h1c s ARG 83 Cb 0.00 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.84 3h1c s ARG 83 CO 0.00 0.04 1.40 -1.25 -0.81 0.00 0.00 175.30 174.68 3h1c s PRO 84 N 0.85 4.28 0.98 5.12 0.04 -1.26 -5.02 135.00 139.98 3h1c s PRO 84 Ca 0.40 2.31 -0.16 0.00 0.04 0.00 0.00 61.00 63.59 3h1c s PRO 84 Cb -0.18 -3.08 0.20 0.00 0.04 0.00 0.00 34.50 31.48 3h1c s PRO 84 CO 0.20 -0.36 1.29 -1.54 0.04 0.00 0.00 177.00 176.63 3h1c s SER 85 N 0.02 2.99 0.18 6.66 1.04 -1.26 -4.84 113.70 118.50 3h1c s SER 85 Ca 0.55 0.36 -0.13 0.00 0.48 0.00 0.00 55.95 57.21 3h1c s SER 85 Cb -0.42 -0.47 0.09 0.00 0.10 0.00 0.00 66.02 65.32 3h1c s SER 85 CO 0.49 -2.82 1.85 -0.08 0.98 0.00 0.00 173.24 173.66 3h1c h GLU 86 N -1.70 0.78 -0.30 4.02 4.81 -2.00 -2.14 114.58 118.05 3h1c h GLU 86 Ca -0.45 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 58.56 3h1c h GLU 86 Cb 1.25 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 3h1c h GLU 86 CO 0.40 0.53 -0.50 0.78 -0.73 0.00 0.00 179.01 179.48 3h1c h GLY 87 N 0.80 0.93 1.82 1.92 0.00 -2.00 -3.21 103.07 103.33 3h1c h GLY 87 Ca 0.22 -1.05 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 3h1c h GLY 87 CO -0.05 0.94 0.06 -2.09 0.00 0.00 0.00 176.54 175.40 3h1c h GLU 88 N 0.67 0.24 0.00 4.80 4.81 -1.86 -1.67 114.58 121.56 3h1c h GLU 88 Ca 0.03 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3h1c h GLU 88 Cb 1.10 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3h1c h GLU 88 CO 0.11 0.21 -0.61 1.15 -0.73 0.00 0.00 179.01 179.14 3h1c h THR 89 N 0.24 1.21 -0.16 0.32 2.02 -1.42 -3.21 112.91 111.92 3h1c h THR 89 Ca 0.06 -2.29 -0.12 0.00 0.77 0.00 0.00 66.41 64.82 3h1c h THR 89 Cb 0.08 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 3h1c h THR 89 CO -0.01 0.60 -0.43 -0.07 0.37 0.00 0.00 175.52 175.98 3h1c h LEU 90 N 0.00 0.39 -0.45 2.58 3.38 -1.31 -2.50 115.31 117.41 3h1c h LEU 90 Ca -0.01 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 3h1c h LEU 90 Cb 1.27 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3h1c h LEU 90 CO 0.08 0.78 -0.64 0.40 0.09 0.00 0.00 178.44 179.15 3h1c h ILE 91 N 0.30 1.34 -0.41 1.22 5.03 -1.60 -2.21 117.51 121.19 3h1c h ILE 91 Ca 0.02 -1.96 0.01 0.00 -0.12 0.00 0.00 64.86 62.81 3h1c h ILE 91 Cb 0.89 1.94 -0.02 0.00 -3.03 0.00 0.00 36.82 36.60 3h1c h ILE 91 CO 0.07 0.60 0.27 0.00 -0.68 0.00 0.00 178.15 178.42 3h1c h ALA 92 N 0.94 1.72 0.00 1.87 0.00 -1.51 -0.81 119.26 121.47 3h1c h ALA 92 Ca -0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3h1c h ALA 92 Cb 1.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3h1c h ALA 92 CO 0.12 0.26 -0.68 0.00 0.00 0.00 0.00 179.25 178.94 3h1c h ARG 93 N 0.55 0.00 0.00 0.00 3.08 -1.35 -2.40 114.38 114.25 3h1c h ARG 93 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3h1c h ARG 93 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3h1c h ARG 93 CO -0.03 0.68 0.00 1.25 -1.07 0.00 0.00 179.97 180.80 3h1c h LEU 94 N 0.00 0.00 0.06 3.04 5.85 -0.52 -1.98 115.31 121.75 3h1c h LEU 94 Ca -0.01 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.34 3h1c h LEU 94 Cb 1.40 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 3h1c h LEU 94 CO 0.09 0.00 -2.24 -0.38 -0.34 0.00 0.00 178.44 175.56 3h1c n ILE 95 N -2.73 1.62 -0.12 4.05 -0.00 -0.81 -4.56 119.36 116.82 3h1c n ILE 95 Ca 0.02 -0.62 -0.13 0.00 -0.00 0.00 0.00 62.75 62.02 3h1c n ILE 95 Cb 0.32 -1.53 -0.03 0.00 -0.00 0.00 0.00 39.64 38.41 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 0.03 0.88 -0.35 4.38 3.58 -1.33 -3.26 116.42 120.36 3h1c h ASP 96 Ca -0.50 -0.44 -0.04 0.00 0.42 0.00 0.00 57.03 56.47 3h1c h ASP 96 Cb 1.97 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.76 3h1c h ASP 96 CO -0.00 1.14 0.06 0.03 -2.88 0.00 0.00 179.24 177.59 3h1c h ARG 97 N 0.63 0.57 -0.02 0.28 3.08 -1.61 -2.54 114.38 114.77 3h1c h ARG 97 Ca 0.07 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 3h1c h ARG 97 Cb 0.86 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3h1c h ARG 97 CO 0.07 0.64 -0.59 -1.00 -1.07 0.00 0.00 179.97 178.02 3h1c h PRO 98 N 0.41 0.06 0.00 0.04 0.13 -1.80 -3.32 132.00 127.51 3h1c h PRO 98 Ca 0.11 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.12 3h1c h PRO 98 Cb 0.34 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 3h1c h PRO 98 CO 0.01 0.63 -0.65 -0.84 -0.23 0.00 0.00 178.00 176.92 3h1c h ILE 99 N 0.04 0.47 -0.24 -3.56 3.07 -1.58 -3.39 117.51 112.31 3h1c h ILE 99 Ca -0.01 -1.72 -0.01 0.00 1.55 0.00 0.00 64.86 64.68 3h1c h ILE 99 Cb 1.06 2.11 -0.01 0.00 -0.27 0.00 0.00 36.82 39.71 3h1c h ILE 99 CO 0.08 0.27 0.12 -0.09 -1.05 0.00 0.00 178.15 177.48 3h1c h ARG 100 N 0.00 0.34 0.00 0.16 2.43 -1.55 -3.08 114.38 112.68 3h1c h ARG 100 Ca -0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3h1c h ARG 100 Cb 1.28 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3h1c h ARG 100 CO 0.04 0.33 0.00 -1.35 -1.51 0.00 0.00 179.97 177.48 3h1c h PRO 101 N 0.27 0.00 0.00 0.20 0.11 -1.78 -3.17 132.00 127.62 3h1c h PRO 101 Ca 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 3h1c h PRO 101 Cb 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3h1c h PRO 101 CO -0.01 0.00 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.54 3h1c h LEU 102 N 0.00 0.00 -9.81 2.35 3.38 -1.76 -3.45 115.31 106.02 3h1c h LEU 102 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3h1c h LEU 102 Cb 0.56 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.37 3h1c h LEU 102 CO 0.00 0.17 0.70 -0.36 0.09 0.00 0.00 178.44 179.03 3h1c s PHE 103 N -3.46 3.03 0.51 1.13 0.40 -1.20 -3.02 117.98 115.37 3h1c s PHE 103 Ca 0.03 1.23 -0.23 0.00 -0.60 0.00 0.00 56.93 57.35 3h1c s PHE 103 Cb 0.08 -3.75 -0.06 0.00 0.51 0.00 0.00 43.02 39.81 3h1c s PHE 103 CO 0.64 -2.24 1.39 -1.25 0.70 0.00 0.00 175.22 174.45 3h1c s PRO 104 N -1.06 3.34 -0.14 0.24 0.04 -1.26 -4.93 135.00 131.23 3h1c s PRO 104 Ca 0.54 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 63.60 3h1c s PRO 104 Cb -0.41 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 3h1c s PRO 104 CO 0.48 -1.06 1.38 -2.00 0.04 0.00 0.00 177.00 175.84 3h1c s GLU 105 N -2.73 4.21 0.00 4.56 2.12 -1.26 -2.68 118.70 122.91 3h1c s GLU 105 Ca 0.68 1.80 0.00 0.00 0.36 0.00 0.00 54.97 57.81 3h1c s GLU 105 Cb -0.42 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.14 3h1c s GLU 105 CO 0.51 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 3h1c n GLY 106 N 3.78 1.10 3.68 -1.50 0.00 -1.26 -4.97 105.19 106.02 3h1c n GLY 106 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.09 0.00 1.61 5.36 -1.09 -4.91 117.98 120.04 3h1c s PHE 107 Ca 0.00 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.10 3h1c s PHE 107 Cb 0.00 -3.46 0.00 0.00 -0.34 0.00 0.00 43.02 39.22 3h1c s PHE 107 CO 0.00 -1.51 0.42 1.33 -1.46 0.00 0.00 175.22 174.00 3h1c n VAL 108 N 4.74 0.00 -2.27 3.12 0.24 -1.26 -4.39 118.33 118.51 3h1c n VAL 108 Ca 0.12 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.34 61.58 3h1c n VAL 108 Cb 0.46 1.15 -0.03 0.00 -1.47 0.00 0.00 33.84 33.95 3h1c n VAL 108 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3h1c s ASN 109 N -0.00 6.96 -0.04 -1.34 0.01 -1.26 -4.57 114.94 114.70 3h1c s ASN 109 Ca 0.00 2.37 -0.30 0.00 -0.71 0.00 0.00 52.86 54.22 3h1c s ASN 109 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 3h1c s ASN 109 CO 0.00 -0.46 1.24 -0.70 -1.51 0.00 0.00 177.10 175.67 3h1c s GLU 110 N -0.39 4.34 0.03 -0.60 2.12 -1.26 -4.66 118.70 118.28 3h1c s GLU 110 Ca 0.54 1.74 0.08 0.00 0.36 0.00 0.00 54.97 57.69 3h1c s GLU 110 Cb -0.35 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 3h1c s GLU 110 CO 0.39 -0.46 -0.23 0.14 -0.54 0.00 0.00 175.26 174.56 3h1c s VAL 111 N 2.19 1.88 -0.09 3.70 -7.23 -1.17 -1.26 120.40 118.42 3h1c s VAL 111 Ca 0.58 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 3h1c s VAL 111 Cb -0.26 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.09 3h1c s VAL 111 CO 0.23 0.33 -0.08 -1.58 -0.31 0.00 0.00 175.10 173.69 3h1c s GLN 112 N -1.08 1.44 -0.46 4.82 0.74 -0.97 -2.93 119.66 121.22 3h1c s GLN 112 Ca 0.09 -0.26 -0.11 0.00 0.05 0.00 0.00 55.36 55.13 3h1c s GLN 112 Cb -0.09 -1.41 0.10 0.00 1.10 0.00 0.00 33.01 32.71 3h1c s GLN 112 CO 0.01 -0.16 0.35 0.08 -0.55 0.00 0.00 175.29 175.02 3h1c s VAL 113 N 1.32 4.55 -0.43 1.34 1.01 -0.68 -2.39 120.40 125.13 3h1c s VAL 113 Ca -0.03 -1.48 -0.15 0.00 0.00 0.00 0.00 61.98 60.32 3h1c s VAL 113 Cb -0.14 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.42 3h1c s VAL 113 CO -0.03 -0.66 0.33 -0.63 0.00 0.00 0.00 175.10 174.11 3h1c s ILE 114 N 1.47 5.24 -0.25 2.22 1.09 0.22 -0.58 121.20 130.61 3h1c s ILE 114 Ca 0.04 -0.81 -0.03 0.00 -1.10 0.00 0.00 60.65 58.74 3h1c s ILE 114 Cb -0.25 -4.00 0.01 0.00 -1.06 0.00 0.00 42.46 37.16 3h1c s ILE 114 CO 0.02 -0.41 -0.02 0.00 -0.10 0.00 0.00 174.94 174.43 3h1c s ALA 115 N 1.66 2.82 -0.08 9.38 0.00 -0.67 -0.55 121.76 134.32 3h1c s ALA 115 Ca 0.05 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.65 3h1c s ALA 115 Cb -0.21 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 3h1c s ALA 115 CO 0.09 -0.75 -0.18 -0.08 0.00 0.00 0.00 175.76 174.83 3h1c s THR 116 N 1.41 2.63 -0.28 0.00 -1.32 -0.11 -1.27 115.64 116.70 3h1c s THR 116 Ca 0.02 -0.84 -0.28 0.00 -1.21 0.00 0.00 61.69 59.38 3h1c s THR 116 Cb -0.16 -2.04 0.01 0.00 -1.51 0.00 0.00 72.50 68.80 3h1c s THR 116 CO -0.02 0.56 1.00 -0.69 -2.21 0.00 0.00 174.62 173.25 3h1c s VAL 117 N -0.09 4.64 -0.02 5.08 1.01 -0.93 -0.51 120.40 129.58 3h1c s VAL 117 Ca -0.04 1.75 0.10 0.00 0.00 0.00 0.00 61.98 63.79 3h1c s VAL 117 Cb -0.14 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.78 3h1c s VAL 117 CO 0.04 -0.31 0.19 0.55 0.00 0.00 0.00 175.10 175.58 3h1c n VAL 118 N 5.58 0.08 -3.70 2.92 3.14 -0.95 -3.65 118.33 121.74 3h1c n VAL 118 Ca 0.10 -0.24 -0.14 0.00 -2.96 0.00 0.00 64.34 61.10 3h1c n VAL 118 Cb 0.47 0.15 -0.09 0.00 -1.06 0.00 0.00 33.84 33.31 3h1c n VAL 118 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3h1c s SER 119 N -3.24 -0.46 -0.10 6.55 0.15 -1.01 -4.28 113.70 111.29 3h1c s SER 119 Ca -0.04 0.80 -0.05 0.00 0.70 0.00 0.00 55.95 57.36 3h1c s SER 119 Cb 0.06 0.83 0.04 0.00 -1.71 0.00 0.00 66.02 65.25 3h1c s SER 119 CO 0.40 -0.25 0.25 0.54 1.20 0.00 0.00 173.24 175.38 3h1c s VAL 120 N -0.11 -0.04 -0.11 4.45 0.11 -1.01 0.48 120.40 124.17 3h1c s VAL 120 Ca -0.03 0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 59.01 3h1c s VAL 120 Cb -0.03 -0.38 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 3h1c s VAL 120 CO 0.02 0.06 0.36 0.21 -3.33 0.00 0.00 175.10 172.41 3h1c s ASN 121 N 1.18 6.59 0.65 3.54 2.47 -1.02 -4.61 114.94 123.74 3h1c s ASN 121 Ca -0.09 0.70 0.31 0.00 0.42 0.00 0.00 52.86 54.20 3h1c s ASN 121 Cb -0.10 -2.22 1.69 0.00 -1.45 0.00 0.00 41.25 39.18 3h1c s ASN 121 CO -0.08 0.15 1.98 -0.65 -3.72 0.00 0.00 177.10 174.78 3h1c h PRO 122 N 6.08 0.00 0.00 0.43 0.11 -1.89 -2.46 132.00 134.27 3h1c h PRO 122 Ca -0.45 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.31 3h1c h PRO 122 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 3h1c h PRO 122 CO 0.71 0.00 -2.20 1.04 -0.21 0.00 0.00 178.00 177.34 3h1c n GLN 123 N -3.12 0.67 -3.70 1.05 1.13 -1.26 -4.77 117.38 107.38 3h1c n GLN 123 Ca -0.00 0.10 -0.37 0.00 -1.94 0.00 0.00 57.00 54.79 3h1c n GLN 123 Cb 0.38 -1.60 -0.11 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 -2.52 4.91 -0.09 5.09 1.01 -0.93 -3.39 120.40 124.48 3h1c s VAL 124 Ca -0.11 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 3h1c s VAL 124 Cb 0.07 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 3h1c s VAL 124 CO 0.81 0.31 0.96 0.21 0.00 0.00 0.00 175.10 177.39 3h1c s ASN 125 N 1.48 7.21 0.00 3.32 3.84 -1.26 -4.24 114.94 125.29 3h1c s ASN 125 Ca 0.06 1.48 0.15 0.00 0.21 0.00 0.00 52.86 54.77 3h1c s ASN 125 Cb -0.15 -2.54 0.69 0.00 -0.55 0.00 0.00 41.25 38.70 3h1c s ASN 125 CO 0.07 -0.39 1.45 -0.81 -2.79 0.00 0.00 177.10 174.62 3h1c n PRO 126 N 4.79 0.10 -0.15 0.43 -0.04 -1.26 -3.71 135.00 135.16 3h1c n PRO 126 Ca 0.07 0.20 -0.04 0.00 -0.04 0.00 0.00 63.50 63.69 3h1c n PRO 126 Cb 0.49 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.83 0.88 3.54 2.03 -1.99 -1.23 116.42 120.48 3h1c h ASP 127 Ca 0.00 -0.17 -0.23 0.00 -0.73 0.00 0.00 57.03 55.90 3h1c h ASP 127 Cb 0.20 -0.22 -0.03 0.00 -0.83 0.00 0.00 39.33 38.45 3h1c h ASP 127 CO 0.00 0.84 -1.16 0.16 -1.03 0.00 0.00 179.24 178.05 3h1c h ILE 128 N 0.84 1.53 -0.51 4.15 -0.00 -1.99 -3.27 117.51 118.26 3h1c h ILE 128 Ca 0.18 -3.26 -0.06 0.00 -0.00 0.00 0.00 64.86 61.72 3h1c h ILE 128 Cb 0.36 2.76 -0.02 0.00 -0.00 0.00 0.00 36.82 39.92 3h1c h ILE 128 CO 0.01 0.87 0.09 0.58 -0.00 0.00 0.00 178.15 179.70 3h1c h VAL 129 N 0.00 1.23 0.00 0.16 2.07 -1.65 -2.37 116.25 115.69 3h1c h VAL 129 Ca -0.07 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 3h1c h VAL 129 Cb 1.83 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3h1c h VAL 129 CO 0.12 0.31 -0.34 0.00 0.02 0.00 0.00 177.57 177.68 3h1c h ALA 130 N 1.34 1.19 -0.21 1.67 0.00 -1.32 -2.25 119.26 119.69 3h1c h ALA 130 Ca 0.16 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 3h1c h ALA 130 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3h1c h ALA 130 CO 0.00 0.43 -0.64 0.52 0.00 0.00 0.00 179.25 179.56 3h1c h MET 131 N 0.00 0.75 -0.46 0.00 2.86 -1.48 0.20 114.93 116.79 3h1c h MET 131 Ca -0.00 -0.53 -0.12 0.00 -2.06 0.00 0.00 59.70 56.99 3h1c h MET 131 Cb 0.72 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3h1c h MET 131 CO 0.04 1.15 -0.19 0.82 1.06 0.00 0.00 176.91 179.79 3h1c h ILE 132 N 0.55 1.27 -0.92 -1.22 5.03 -1.46 -2.05 117.51 118.70 3h1c h ILE 132 Ca -0.01 -1.34 -0.01 0.00 -0.12 0.00 0.00 64.86 63.38 3h1c h ILE 132 Cb 1.24 1.12 -0.04 0.00 -3.03 0.00 0.00 36.82 36.10 3h1c h ILE 132 CO 0.13 0.46 0.55 1.23 -0.68 0.00 0.00 178.15 179.84 3h1c h GLY 133 N 0.92 1.35 1.80 5.37 0.00 -1.21 0.83 103.07 112.12 3h1c h GLY 133 Ca 0.11 -0.57 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 3h1c h GLY 133 CO 0.06 0.55 -0.71 0.00 0.00 0.00 0.00 176.54 176.44 3h1c h ALA 134 N 1.32 0.73 -0.16 3.60 0.00 -0.92 -2.30 119.26 121.54 3h1c h ALA 134 Ca 0.33 -0.62 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 3h1c h ALA 134 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3h1c h ALA 134 CO -0.06 0.81 -0.73 1.03 0.00 0.00 0.00 179.25 180.30 3h1c h SER 135 N 0.13 0.83 0.46 0.00 0.87 -0.95 -2.71 113.55 112.18 3h1c h SER 135 Ca -0.02 -0.53 -0.18 0.00 -1.23 0.00 0.00 61.79 59.83 3h1c h SER 135 Cb 1.26 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 3h1c h SER 135 CO 0.11 1.31 -0.78 0.00 -0.53 0.00 0.00 176.83 176.93 3h1c h ALA 136 N 0.68 0.61 -0.14 6.23 0.00 -0.88 -3.02 119.26 122.74 3h1c h ALA 136 Ca -0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 3h1c h ALA 136 Cb 1.34 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3h1c h ALA 136 CO 0.15 0.83 -0.16 0.00 0.00 0.00 0.00 179.25 180.07 3h1c h ALA 137 N 1.01 0.21 0.00 0.00 0.00 -1.45 -2.29 119.26 116.75 3h1c h ALA 137 Ca -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3h1c h ALA 137 Cb 1.37 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3h1c h ALA 137 CO 0.12 0.10 -0.15 -0.07 0.00 0.00 0.00 179.25 179.26 3h1c h LEU 138 N -0.03 0.00 0.16 0.00 3.38 -1.57 -1.63 115.31 115.62 3h1c h LEU 138 Ca 0.02 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 3h1c h LEU 138 Cb 0.70 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.48 3h1c h LEU 138 CO 0.04 0.15 -1.20 0.28 0.09 0.00 0.00 178.44 177.79 3h1c h SER 139 N 0.00 0.77 1.49 -0.43 0.02 -1.50 -3.33 113.55 110.57 3h1c h SER 139 Ca -0.00 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 3h1c h SER 139 Cb 0.55 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3h1c h SER 139 CO 0.02 1.58 0.00 -0.07 -1.14 0.00 0.00 176.83 177.22 3h1c h LEU 140 N 0.08 0.00 -0.56 5.07 3.38 -1.23 -3.32 115.31 118.72 3h1c h LEU 140 Ca -0.20 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 3h1c h LEU 140 Cb 1.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 3h1c h LEU 140 CO 0.23 0.00 -0.33 0.77 0.09 0.00 0.00 178.44 179.20 3h1c h SER 141 N 0.00 0.83 0.00 -0.43 4.64 -1.41 -3.07 113.55 114.12 3h1c h SER 141 Ca 0.00 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3h1c h SER 141 Cb 0.74 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3h1c h SER 141 CO 0.00 1.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.66 3h1c n GLY 142 N -0.04 2.30 3.71 -0.77 0.00 -1.25 -4.82 105.19 104.32 3h1c n GLY 142 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.62 2.57 -0.61 -0.61 1.01 -1.26 -1.70 121.20 117.98 3h1c s ILE 143 Ca 0.00 0.29 -0.37 0.00 0.00 0.00 0.00 60.65 60.57 3h1c s ILE 143 Cb 0.00 -3.19 -0.17 0.00 0.01 0.00 0.00 42.46 39.11 3h1c s ILE 143 CO 0.00 0.01 2.34 -0.81 0.00 0.00 0.00 174.94 176.48 3h1c n PRO 144 N 4.64 0.32 -3.53 2.79 -0.04 -1.26 -4.90 135.00 133.02 3h1c n PRO 144 Ca 0.15 0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.48 3h1c n PRO 144 Cb 0.38 -1.86 -0.14 0.00 -0.04 0.00 0.00 33.50 31.84 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 7.64 -0.17 -0.06 0.54 5.36 -1.26 -4.46 117.98 125.57 3h1c s PHE 145 Ca 1.21 0.13 -0.03 0.00 -0.96 0.00 0.00 56.93 57.28 3h1c s PHE 145 Cb -1.19 -0.43 -0.08 0.00 -0.34 0.00 0.00 43.02 40.99 3h1c s PHE 145 CO 0.54 -0.56 2.65 0.09 -1.46 0.00 0.00 175.22 176.48 3h1c n ASN 146 N 5.31 5.48 -0.04 6.13 3.02 -1.17 -4.78 115.26 129.22 3h1c n ASN 146 Ca -0.06 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 3h1c n ASN 146 Cb 0.49 -1.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 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 1.72 1.84 3.95 7.41 0.00 -1.26 -4.99 105.19 113.87 3h1c n GLY 147 Ca 0.22 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 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 4.49 1.90 0.19 1.61 0.05 -1.26 -4.92 135.00 137.06 3h1c s PRO 148 Ca 0.00 -0.59 0.08 0.00 0.05 0.00 0.00 61.00 60.54 3h1c s PRO 148 Cb 0.00 -2.22 -0.04 0.00 0.05 0.00 0.00 34.50 32.29 3h1c s PRO 148 CO 0.00 -1.37 -0.06 0.96 0.05 0.00 0.00 177.00 176.58 3h1c s ILE 149 N -3.23 3.36 0.21 0.56 -4.36 -1.26 -4.05 121.20 112.43 3h1c s ILE 149 Ca 0.63 -1.62 0.08 0.00 -0.26 0.00 0.00 60.65 59.48 3h1c s ILE 149 Cb -0.08 -2.68 -0.04 0.00 1.25 0.00 0.00 42.46 40.91 3h1c s ILE 149 CO 0.45 -0.13 0.04 -0.83 0.24 0.00 0.00 174.94 174.70 3h1c s GLY 150 N -2.94 1.66 -0.08 6.27 0.00 -1.01 -4.70 107.32 106.52 3h1c s GLY 150 Ca 0.26 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.57 3h1c s GLY 150 CO 0.17 -1.47 -0.16 0.00 0.00 0.00 0.00 173.10 171.63 3h1c s ALA 151 N -1.95 1.60 -0.03 3.20 0.00 -1.26 -3.52 121.76 119.81 3h1c s ALA 151 Ca 0.30 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 3h1c s ALA 151 Cb -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3h1c s ALA 151 CO 0.20 0.11 0.05 0.00 0.00 0.00 0.00 175.76 176.13 3h1c s ALA 152 N 0.66 -0.06 -0.22 0.00 0.00 -1.04 -4.87 121.76 116.23 3h1c s ALA 152 Ca -0.14 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.01 3h1c s ALA 152 Cb -0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3h1c s ALA 152 CO 0.04 -0.08 0.15 0.50 0.00 0.00 0.00 175.76 176.37 3h1c s ARG 153 N 0.65 4.13 -0.21 0.00 3.52 -1.26 -1.48 118.95 124.31 3h1c s ARG 153 Ca -0.05 -0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.27 3h1c s ARG 153 Cb -0.07 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 3h1c s ARG 153 CO -0.02 0.17 -0.02 0.08 -0.81 0.00 0.00 175.30 174.70 3h1c s VAL 154 N 0.73 3.70 0.20 7.11 1.01 -0.22 0.30 120.40 133.23 3h1c s VAL 154 Ca 0.08 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.74 3h1c s VAL 154 Cb -0.12 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3h1c s VAL 154 CO 0.02 0.43 0.09 -0.83 0.00 0.00 0.00 175.10 174.80 3h1c s GLY 155 N 1.18 1.64 -0.35 4.51 0.00 0.84 -2.68 107.32 112.46 3h1c s GLY 155 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.38 3h1c s GLY 155 CO 0.00 -1.40 0.14 -0.47 0.00 0.00 0.00 173.10 171.37 3h1c s TYR 156 N -1.91 1.83 -0.30 1.90 5.04 -1.19 -0.19 117.35 122.53 3h1c s TYR 156 Ca 0.30 -1.96 0.01 0.00 -2.44 0.00 0.00 57.07 52.98 3h1c s TYR 156 Cb -0.09 -1.78 0.07 0.00 0.35 0.00 0.00 41.96 40.51 3h1c s TYR 156 CO 0.22 -0.86 -0.01 0.42 -1.34 0.00 0.00 175.55 173.98 3h1c s ILE 157 N 1.24 2.64 -0.66 3.14 1.01 -0.76 -0.61 121.20 127.20 3h1c s ILE 157 Ca 0.12 -1.68 -0.10 0.00 0.00 0.00 0.00 60.65 58.99 3h1c s ILE 157 Cb -0.19 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.67 3h1c s ILE 157 CO -0.17 -0.21 0.65 -0.46 0.00 0.00 0.00 174.94 174.75 3h1c n ASN 158 N 4.50 -6.63 -3.68 3.58 0.23 -1.26 -3.55 115.26 108.44 3h1c n ASN 158 Ca -0.10 -0.22 -0.28 0.00 -0.53 0.00 0.00 54.58 53.46 3h1c n ASN 158 Cb 0.42 -3.72 0.01 0.00 -2.08 0.00 0.00 39.78 34.42 3h1c n ASN 158 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3h1c n ASP 159 N -1.46 -4.49 -3.74 0.53 8.00 -1.26 -4.96 116.55 109.17 3h1c n ASP 159 Ca -0.08 -0.63 -0.13 0.00 0.71 0.00 0.00 54.79 54.66 3h1c n ASP 159 Cb 0.58 -3.63 -0.10 0.00 -0.02 0.00 0.00 41.12 37.95 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 -6.37 0.45 -0.09 -1.24 2.00 -1.23 -5.15 119.66 108.03 3h1c s GLN 160 Ca 0.56 0.54 -0.21 0.00 -2.00 0.00 0.00 55.36 54.25 3h1c s GLN 160 Cb -0.28 0.21 -0.04 0.00 0.80 0.00 0.00 33.01 33.70 3h1c s GLN 160 CO 0.68 -0.06 0.59 0.71 -0.50 0.00 0.00 175.29 176.72 3h1c s TYR 161 N 0.25 3.55 -0.09 1.67 1.51 -1.26 -1.83 117.35 121.15 3h1c s TYR 161 Ca -0.00 1.08 0.03 0.00 -1.01 0.00 0.00 57.07 57.17 3h1c s TYR 161 Cb -0.03 -2.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.13 3h1c s TYR 161 CO 0.00 0.13 -0.20 0.08 -1.11 0.00 0.00 175.55 174.45 3h1c s VAL 162 N 0.69 2.45 -0.12 0.71 1.01 0.73 -4.97 120.40 120.90 3h1c s VAL 162 Ca 0.32 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 3h1c s VAL 162 Cb -0.16 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3h1c s VAL 162 CO 0.14 0.55 0.65 -0.22 0.00 0.00 0.00 175.10 176.23 3h1c s LEU 163 N 0.13 4.25 -0.54 3.92 2.96 -1.26 -0.11 118.68 128.04 3h1c s LEU 163 Ca -0.10 1.03 -0.22 0.00 -0.22 0.00 0.00 54.13 54.61 3h1c s LEU 163 Cb -0.16 -2.98 0.03 0.00 0.50 0.00 0.00 46.19 43.59 3h1c s LEU 163 CO 0.06 -0.16 0.64 0.59 -1.32 0.00 0.00 176.35 176.16 3h1c n ASN 164 N 4.22 -6.35 -4.83 3.68 3.02 0.15 -4.86 115.26 110.28 3h1c n ASN 164 Ca -0.02 -0.08 -0.35 0.00 -0.03 0.00 0.00 54.58 54.11 3h1c n ASN 164 Cb 0.51 -3.13 -0.06 0.00 -0.61 0.00 0.00 39.78 36.48 3h1c n ASN 164 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3h1c s PRO 165 N -2.96 4.15 0.78 3.52 0.04 -1.26 -4.99 135.00 134.27 3h1c s PRO 165 Ca 0.24 0.77 -0.10 0.00 0.04 0.00 0.00 61.00 61.96 3h1c s PRO 165 Cb -0.04 -2.72 0.08 0.00 0.04 0.00 0.00 34.50 31.86 3h1c s PRO 165 CO 0.84 0.31 1.13 0.95 0.04 0.00 0.00 177.00 180.26 3h1c s THR 166 N -1.69 2.10 0.48 1.26 -4.23 -1.26 -4.81 115.64 107.49 3h1c s THR 166 Ca 0.47 -0.10 0.17 0.00 -1.18 0.00 0.00 61.69 61.05 3h1c s THR 166 Cb -0.14 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 70.93 3h1c s THR 166 CO 0.20 0.00 2.07 1.56 -0.54 0.00 0.00 174.62 177.91 3h1c h GLN 167 N -0.91 0.00 0.00 3.99 1.08 -1.85 0.23 115.11 117.64 3h1c h GLN 167 Ca -0.45 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.60 3h1c h GLN 167 Cb 1.32 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.73 3h1c h GLN 167 CO 0.63 0.10 -0.68 -0.44 -0.95 0.00 0.00 178.83 177.49 3h1c h ASP 168 N 0.00 0.00 1.15 1.46 3.32 -1.93 -3.25 116.42 117.17 3h1c h ASP 168 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3h1c h ASP 168 Cb 0.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3h1c h ASP 168 CO 0.01 0.68 -0.89 -0.33 -1.72 0.00 0.00 179.24 176.99 3h1c h GLU 169 N 0.00 0.00 0.00 3.56 5.08 -1.57 -3.32 114.58 118.32 3h1c h GLU 169 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3h1c h GLU 169 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3h1c h GLU 169 CO 0.09 0.32 0.00 -0.07 -1.00 0.00 0.00 179.01 178.35 3h1c h LEU 170 N 0.00 0.00 -1.27 1.33 3.38 -0.63 -2.90 115.31 115.22 3h1c h LEU 170 Ca -0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3h1c h LEU 170 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3h1c h LEU 170 CO 0.04 0.00 -0.27 0.11 0.09 0.00 0.00 178.44 178.41 3h1c h LYS 171 N 0.00 0.00 0.00 1.13 1.57 -1.66 -3.03 116.57 114.58 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 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3h1c h LYS 171 CO 0.00 0.27 -1.10 0.39 -0.57 0.00 0.00 179.45 178.44 3h1c n GLU 172 N -3.59 1.01 -2.52 3.15 -0.58 -1.15 -4.98 120.64 111.99 3h1c n GLU 172 Ca -0.01 -0.04 -0.40 0.00 -0.42 0.00 0.00 57.16 56.29 3h1c n GLU 172 Cb 0.41 -1.36 -0.05 0.00 -0.57 0.00 0.00 31.44 29.87 3h1c n GLU 172 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3h1c s SER 173 N -3.05 7.28 0.11 1.62 0.15 -1.11 -4.78 113.70 113.93 3h1c s SER 173 Ca 0.03 2.21 0.23 0.00 0.70 0.00 0.00 55.95 59.12 3h1c s SER 173 Cb 0.13 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.84 3h1c s SER 173 CO 0.73 -0.13 1.01 0.29 1.20 0.00 0.00 173.24 176.35 3h1c n LYS 174 N 1.14 0.46 -4.05 5.44 4.01 0.22 -4.91 118.16 120.47 3h1c n LYS 174 Ca -0.01 0.04 -0.15 0.00 -0.51 0.00 0.00 58.31 57.68 3h1c n LYS 174 Cb 0.45 -1.69 -0.15 0.00 -0.51 0.00 0.00 35.03 33.14 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 -4.61 1.87 -0.19 -0.35 0.20 -1.26 -0.40 118.68 113.94 3h1c s LEU 175 Ca 0.01 -0.06 -0.04 0.00 0.69 0.00 0.00 54.13 54.73 3h1c s LEU 175 Cb 0.12 -0.19 0.06 0.00 -0.43 0.00 0.00 46.19 45.75 3h1c s LEU 175 CO 0.80 0.02 0.06 -0.62 -0.29 0.00 0.00 176.35 176.32 3h1c s ASP 176 N 0.09 2.73 0.04 3.68 2.15 -0.66 -3.14 116.67 121.56 3h1c s ASP 176 Ca -0.01 -0.77 0.02 0.00 0.43 0.00 0.00 52.55 52.23 3h1c s ASP 176 Cb -0.03 -0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 42.10 3h1c s ASP 176 CO -0.00 -0.33 -0.08 -1.48 -0.17 0.00 0.00 175.17 173.11 3h1c s LEU 177 N 1.96 2.22 -0.30 -1.34 0.05 -1.09 -2.11 118.68 118.07 3h1c s LEU 177 Ca 0.00 -0.48 -0.04 0.00 0.05 0.00 0.00 54.13 53.67 3h1c s LEU 177 Cb -0.17 -0.20 0.04 0.00 -2.05 0.00 0.00 46.19 43.81 3h1c s LEU 177 CO -0.09 -0.15 0.04 -0.69 -0.55 0.00 0.00 176.35 174.90 3h1c s VAL 178 N -1.17 3.36 -0.15 1.48 1.01 -0.45 -1.06 120.40 123.42 3h1c s VAL 178 Ca -0.08 -1.16 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 3h1c s VAL 178 Cb -0.09 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3h1c s VAL 178 CO 0.00 -0.06 0.09 0.54 0.00 0.00 0.00 175.10 175.67 3h1c s VAL 179 N 1.34 5.03 -0.00 2.92 0.11 -0.55 -2.44 120.40 126.81 3h1c s VAL 179 Ca -0.02 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 3h1c s VAL 179 Cb -0.19 -3.22 -0.01 0.00 -1.53 0.00 0.00 36.38 31.43 3h1c s VAL 179 CO 0.00 0.53 -0.07 0.00 -3.33 0.00 0.00 175.10 172.24 3h1c s ALA 180 N -0.29 0.57 0.00 1.54 0.00 -1.10 -2.48 121.76 120.00 3h1c s ALA 180 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3h1c s ALA 180 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.87 3h1c s ALA 180 CO 0.01 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.31 3h1c n GLY 181 N 2.81 0.89 3.81 0.00 0.00 -1.23 -0.69 105.19 110.77 3h1c n GLY 181 Ca -0.14 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 1.82 0.36 2.61 -1.32 -0.29 -2.39 115.64 114.42 3h1c s THR 182 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 3h1c s THR 182 Cb 0.00 -2.81 0.27 0.00 -1.51 0.00 0.00 72.50 68.45 3h1c s THR 182 CO 0.00 0.00 2.01 -0.08 -2.21 0.00 0.00 174.62 174.34 3h1c h GLU 183 N -2.12 0.80 0.00 7.08 4.81 -1.92 -3.19 114.58 120.04 3h1c h GLU 183 Ca -0.43 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3h1c h GLU 183 Cb 1.24 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3h1c h GLU 183 CO 0.31 0.53 -0.01 0.00 -0.73 0.00 0.00 179.01 179.11 3h1c h ALA 184 N 1.61 0.00 -2.79 2.92 0.00 -1.94 -3.49 119.26 115.57 3h1c h ALA 184 Ca 0.24 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3h1c h ALA 184 Cb -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 3h1c h ALA 184 CO -0.06 -0.08 -0.13 0.00 0.00 0.00 0.00 179.25 178.98 3h1c s ALA 185 N -2.95 -0.36 0.51 0.00 0.00 -1.21 -4.89 121.76 112.86 3h1c s ALA 185 Ca -0.18 -0.71 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 3h1c s ALA 185 Cb -0.01 0.96 -0.08 0.00 0.00 0.00 0.00 23.12 23.99 3h1c s ALA 185 CO 0.69 -0.79 1.01 0.08 0.00 0.00 0.00 175.76 176.75 3h1c s VAL 186 N -3.97 4.11 0.00 0.00 1.01 -1.26 -1.14 120.40 119.15 3h1c s VAL 186 Ca 0.18 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3h1c s VAL 186 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3h1c s VAL 186 CO 0.04 -0.43 0.00 0.18 0.00 0.00 0.00 175.10 174.89 3h1c n LEU 187 N -1.29 0.95 -4.49 3.92 4.77 -0.07 -4.70 117.00 116.09 3h1c n LEU 187 Ca 0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 3h1c n LEU 187 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 3h1c n LEU 187 CO 0.42 0.06 -0.26 -0.32 -1.33 0.00 0.00 177.39 175.96 3h1c s MET 188 N -1.78 1.74 -0.29 3.23 1.75 0.13 -1.95 119.30 122.14 3h1c s MET 188 Ca 0.00 -1.99 -0.16 0.00 -1.25 0.00 0.00 55.69 52.30 3h1c s MET 188 Cb 0.00 -0.95 0.14 0.00 2.84 0.00 0.00 34.83 36.85 3h1c s MET 188 CO 0.00 -0.21 0.93 0.08 -0.65 0.00 0.00 175.02 175.17 3h1c s VAL 189 N -3.20 -0.05 -0.13 10.11 1.01 -0.61 -2.69 120.40 124.83 3h1c s VAL 189 Ca 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 3h1c s VAL 189 Cb 0.08 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.48 3h1c s VAL 189 CO 0.15 0.00 -0.10 -0.70 0.00 0.00 0.00 175.10 174.45 3h1c s GLU 190 N 1.48 1.84 0.04 2.72 2.56 -1.02 -0.53 118.70 125.79 3h1c s GLU 190 Ca -0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 54.97 54.47 3h1c s GLU 190 Cb -0.04 -1.82 -0.03 0.00 2.00 0.00 0.00 34.13 34.25 3h1c s GLU 190 CO -0.16 -0.26 0.01 -1.54 -0.56 0.00 0.00 175.26 172.76 3h1c s SER 191 N 1.61 0.33 -0.06 -1.70 1.04 -0.89 -1.34 113.70 112.69 3h1c s SER 191 Ca 0.05 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 3h1c s SER 191 Cb -0.13 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.22 3h1c s SER 191 CO -0.09 -0.51 0.14 -1.83 0.98 0.00 0.00 173.24 171.92 3h1c s GLU 192 N -3.00 0.08 0.14 4.02 -1.05 -0.90 -3.26 118.70 114.73 3h1c s GLU 192 Ca -0.02 0.36 0.05 0.00 -0.15 0.00 0.00 54.97 55.21 3h1c s GLU 192 Cb 0.01 -0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.48 3h1c s GLU 192 CO -0.07 -0.17 -0.11 0.00 0.95 0.00 0.00 175.26 175.87 3h1c s ALA 193 N 1.16 1.44 -1.26 -0.84 0.00 0.82 -1.66 121.76 121.42 3h1c s ALA 193 Ca -0.09 -1.43 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 3h1c s ALA 193 Cb -0.12 0.02 0.17 0.00 0.00 0.00 0.00 23.12 23.20 3h1c s ALA 193 CO -0.06 -0.06 1.99 0.94 0.00 0.00 0.00 175.76 178.58 3h1c n GLN 194 N -0.01 4.07 -3.14 0.00 -0.06 0.46 -4.43 117.38 114.28 3h1c n GLN 194 Ca -0.12 -3.65 -0.13 0.00 -2.00 0.00 0.00 57.00 51.10 3h1c n GLN 194 Cb 0.60 -2.78 0.01 0.00 -4.06 0.00 0.00 30.24 24.01 3h1c n GLN 194 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3h1c n LEU 195 N 2.80 -5.98 -4.51 1.69 4.32 -1.20 -5.02 117.00 109.10 3h1c n LEU 195 Ca 0.45 0.06 -0.26 0.00 -0.02 0.00 0.00 56.01 56.25 3h1c n LEU 195 Cb 0.32 -2.86 -0.10 0.00 -1.62 0.00 0.00 43.42 39.16 3h1c n LEU 195 CO 0.76 -1.28 -0.45 -0.76 -1.22 0.00 0.00 177.39 174.44 3h1c s LEU 196 N -3.26 2.75 1.00 2.23 1.43 -0.98 -4.66 118.68 117.21 3h1c s LEU 196 Ca 0.17 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 3h1c s LEU 196 Cb -0.04 -1.41 0.19 0.00 0.03 0.00 0.00 46.19 44.96 3h1c s LEU 196 CO 0.80 0.09 1.14 -0.94 0.23 0.00 0.00 176.35 177.67 3h1c s SER 197 N -2.96 2.67 0.17 2.29 1.04 -1.26 -0.16 113.70 115.49 3h1c s SER 197 Ca 0.25 0.85 -0.10 0.00 0.48 0.00 0.00 55.95 57.43 3h1c s SER 197 Cb -0.08 -1.31 0.06 0.00 0.10 0.00 0.00 66.02 64.80 3h1c s SER 197 CO 0.14 -3.06 1.65 -0.33 0.98 0.00 0.00 173.24 172.61 3h1c h GLU 198 N -1.85 1.01 -0.11 4.02 3.07 -1.96 -2.08 114.58 116.68 3h1c h GLU 198 Ca -0.50 -0.30 -0.08 0.00 -0.50 0.00 0.00 59.36 57.99 3h1c h GLU 198 Cb 1.31 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 3h1c h GLU 198 CO 0.52 0.98 -0.31 -0.44 -1.40 0.00 0.00 179.01 178.36 3h1c h ASP 199 N 0.91 0.20 0.46 1.42 3.32 -1.98 0.29 116.42 121.05 3h1c h ASP 199 Ca 0.18 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 3h1c h ASP 199 Cb 0.49 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3h1c h ASP 199 CO 0.02 0.51 -0.82 1.56 -1.72 0.00 0.00 179.24 178.80 3h1c h GLN 200 N 0.18 0.26 -0.10 3.56 4.20 -1.90 -2.11 115.11 119.20 3h1c h GLN 200 Ca 0.03 -0.25 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 3h1c h GLN 200 Cb 0.64 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.49 3h1c h GLN 200 CO 0.05 0.94 -0.51 0.52 -0.67 0.00 0.00 178.83 179.16 3h1c h MET 201 N 0.16 0.51 -0.36 1.46 2.86 -1.06 -3.01 114.93 115.49 3h1c h MET 201 Ca -0.04 -0.42 -0.15 0.00 -2.06 0.00 0.00 59.70 57.03 3h1c h MET 201 Cb 1.42 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 3h1c h MET 201 CO 0.13 1.05 -0.35 1.25 1.06 0.00 0.00 176.91 180.05 3h1c h LEU 202 N 0.10 0.88 -1.31 1.22 5.85 -1.02 -3.10 115.31 117.93 3h1c h LEU 202 Ca -0.04 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 3h1c h LEU 202 Cb 1.16 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3h1c h LEU 202 CO 0.10 1.14 -0.34 1.23 -0.34 0.00 0.00 178.44 180.24 3h1c h GLY 203 N 0.88 0.00 1.88 3.75 0.00 -1.48 -2.87 103.07 105.23 3h1c h GLY 203 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 3h1c h GLY 203 CO 0.08 0.00 -0.70 0.00 0.00 0.00 0.00 176.54 175.92 3h1c h ALA 204 N 1.66 0.79 -0.22 3.60 0.00 -1.45 -1.66 119.26 121.97 3h1c h ALA 204 Ca -0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.12 3h1c h ALA 204 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3h1c h ALA 204 CO 0.04 0.83 -0.51 0.28 0.00 0.00 0.00 179.25 179.90 3h1c h VAL 205 N 0.08 1.30 -0.28 0.00 2.07 -1.47 -2.85 116.25 115.10 3h1c h VAL 205 Ca -0.01 -1.72 -0.10 0.00 0.82 0.00 0.00 66.70 65.69 3h1c h VAL 205 Cb 1.24 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 3h1c h VAL 205 CO 0.10 0.55 -0.20 0.58 0.02 0.00 0.00 177.57 178.62 3h1c h VAL 206 N 0.46 1.30 -0.40 2.57 2.07 -1.51 -2.18 116.25 118.56 3h1c h VAL 206 Ca -0.00 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.23 3h1c h VAL 206 Cb 1.12 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 3h1c h VAL 206 CO 0.11 0.42 0.16 0.15 0.02 0.00 0.00 177.57 178.44 3h1c h PHE 207 N 0.38 0.29 -0.30 1.57 3.57 -1.36 -0.46 116.94 120.62 3h1c h PHE 207 Ca 0.06 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 3h1c h PHE 207 Cb 0.74 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3h1c h PHE 207 CO 0.07 0.13 -0.26 0.78 -2.23 0.00 0.00 178.31 176.80 3h1c h GLY 208 N 0.34 0.65 1.70 2.40 0.00 -1.52 -2.25 103.07 104.39 3h1c h GLY 208 Ca 0.18 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 3h1c h GLY 208 CO -0.17 0.51 -0.43 0.84 0.00 0.00 0.00 176.54 177.28 3h1c h HIS 209 N 0.53 0.40 -0.02 5.60 -0.00 -1.00 -1.66 115.15 118.99 3h1c h HIS 209 Ca 0.07 -0.11 -0.18 0.00 -0.00 0.00 0.00 60.37 60.15 3h1c h HIS 209 Cb 0.72 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 3h1c h HIS 209 CO 0.03 0.71 -0.78 0.93 -0.00 0.00 0.00 177.93 178.83 3h1c h GLU 210 N 0.27 0.18 0.00 5.26 5.08 -0.97 -3.29 114.58 121.11 3h1c h GLU 210 Ca 0.02 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 3h1c h GLU 210 Cb 0.88 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3h1c h GLU 210 CO 0.07 0.87 -0.69 1.96 -1.00 0.00 0.00 179.01 180.22 3h1c h GLN 211 N 0.11 0.00 -0.01 2.33 1.08 -1.28 -3.26 115.11 114.08 3h1c h GLN 211 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3h1c h GLN 211 Cb 1.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 3h1c h GLN 211 CO 0.12 0.30 0.00 0.00 -0.95 0.00 0.00 178.83 178.29 3h1c n GLN 212 N -3.05 1.28 0.19 1.46 10.64 -0.64 -3.91 117.38 123.35 3h1c n GLN 212 Ca -0.01 -0.40 0.03 0.00 -1.83 0.00 0.00 57.00 54.80 3h1c n GLN 212 Cb 0.70 -1.47 0.38 0.00 -0.86 0.00 0.00 30.24 28.98 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 0.96 0.00 0.00 2.61 1.08 -1.64 -2.66 115.11 115.47 3h1c h GLN 213 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 3h1c h GLN 213 Cb 0.20 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3h1c h GLN 213 CO 0.00 0.36 -0.30 -0.24 -0.95 0.00 0.00 178.83 177.70 3h1c h VAL 214 N 0.00 0.66 -0.06 -0.54 3.04 -1.83 -1.58 116.25 115.94 3h1c h VAL 214 Ca -0.00 -1.39 -0.02 0.00 -1.01 0.00 0.00 66.70 64.27 3h1c h VAL 214 Cb 0.67 1.92 -0.00 0.00 -2.01 0.00 0.00 31.29 31.87 3h1c h VAL 214 CO 0.05 0.29 -0.06 0.58 -1.01 0.00 0.00 177.57 177.42 3h1c h VAL 215 N 0.00 1.37 0.00 1.51 2.07 -1.73 -2.97 116.25 116.50 3h1c h VAL 215 Ca -0.00 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 3h1c h VAL 215 Cb 0.90 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 3h1c h VAL 215 CO 0.04 0.33 -0.20 0.40 0.02 0.00 0.00 177.57 178.15 3h1c h ILE 216 N -0.29 0.93 -0.48 4.57 2.04 -1.47 -2.79 117.51 120.03 3h1c h ILE 216 Ca 0.01 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 3h1c h ILE 216 Cb 0.56 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3h1c h ILE 216 CO 0.01 0.20 -0.04 1.56 0.00 0.00 0.00 178.15 179.88 3h1c h GLN 217 N 0.00 0.82 0.00 2.37 1.08 -1.21 -2.63 115.11 115.54 3h1c h GLN 217 Ca -0.00 -0.25 -0.21 0.00 -1.45 0.00 0.00 58.65 56.74 3h1c h GLN 217 Cb 0.41 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 3h1c h GLN 217 CO 0.03 0.85 -1.20 -0.91 -0.95 0.00 0.00 178.83 176.65 3h1c h ASN 218 N 0.76 0.00 -0.28 1.46 2.35 -1.34 -3.06 115.58 115.47 3h1c h ASN 218 Ca 0.14 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 3h1c h ASN 218 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3h1c h ASN 218 CO 0.03 0.85 -0.29 0.40 -1.65 0.00 0.00 177.43 176.76 3h1c h ILE 219 N 0.00 1.28 0.00 2.81 2.04 -1.50 -0.56 117.51 121.57 3h1c h ILE 219 Ca -0.12 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 3h1c h ILE 219 Cb 1.75 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 3h1c h ILE 219 CO 0.09 0.48 -0.19 0.78 0.00 0.00 0.00 178.15 179.31 3h1c h ASN 220 N 0.67 0.00 0.54 1.72 2.35 -1.55 -1.95 115.58 117.37 3h1c h ASN 220 Ca 0.08 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.54 3h1c h ASN 220 Cb 0.83 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 3h1c h ASN 220 CO 0.07 0.19 -1.51 -0.33 -1.65 0.00 0.00 177.43 174.20 3h1c h GLU 221 N 0.00 0.14 -0.03 0.81 4.39 -1.39 -3.32 114.58 115.18 3h1c h GLU 221 Ca -0.00 -0.23 -0.19 0.00 0.34 0.00 0.00 59.36 59.28 3h1c h GLU 221 Cb 0.63 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3h1c h GLU 221 CO 0.02 0.93 -0.81 1.25 -1.16 0.00 0.00 179.01 179.25 3h1c h LEU 222 N 0.04 0.35 -1.06 1.33 6.46 -1.02 -3.07 115.31 118.34 3h1c h LEU 222 Ca -0.22 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 3h1c h LEU 222 Cb 1.97 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.79 3h1c h LEU 222 CO 0.13 1.02 0.00 1.62 -0.62 0.00 0.00 178.44 180.59 3h1c h VAL 223 N 0.18 0.00 0.00 1.05 3.04 -1.50 -0.62 116.25 118.40 3h1c h VAL 223 Ca -0.04 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.27 3h1c h VAL 223 Cb 1.40 1.23 -0.00 0.00 -2.01 0.00 0.00 31.29 31.92 3h1c h VAL 223 CO 0.13 0.00 -0.31 0.11 -1.01 0.00 0.00 177.57 176.49 3h1c h LYS 224 N 0.00 0.00 0.00 4.17 1.57 -1.63 -2.82 116.57 117.86 3h1c h LYS 224 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 3h1c h LYS 224 Cb 0.44 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 3h1c h LYS 224 CO 0.00 0.05 -1.47 0.39 -0.57 0.00 0.00 179.45 177.85 3h1c n GLU 225 N -3.01 0.55 -0.14 3.15 1.02 -0.60 -4.72 120.64 116.90 3h1c n GLU 225 Ca 0.03 0.46 0.07 0.00 -0.02 0.00 0.00 57.16 57.70 3h1c n GLU 225 Cb 0.56 -1.65 0.10 0.00 -0.02 0.00 0.00 31.44 30.43 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 -3.74 2.16 -2.46 0.62 0.00 -0.34 -5.06 120.51 111.69 3h1c n ALA 226 Ca -0.33 -2.13 -0.42 0.00 0.00 0.00 0.00 53.44 50.56 3h1c n ALA 226 Cb 0.66 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.30 2.61 0.27 0.00 0.00 -1.06 -4.97 107.32 101.87 3h1c s GLY 227 Ca 0.22 0.75 -0.27 0.00 0.00 0.00 0.00 44.72 45.42 3h1c s GLY 227 CO 0.02 1.89 0.92 0.54 0.00 0.00 0.00 173.10 176.47 3h1c s LYS 228 N 0.87 4.68 0.72 2.90 1.02 -1.16 -4.97 119.74 123.79 3h1c s LYS 228 Ca 0.56 1.36 -0.16 0.00 0.02 0.00 0.00 55.97 57.74 3h1c s LYS 228 Cb -0.27 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 3h1c s LYS 228 CO 0.29 0.41 0.82 -0.35 -0.92 0.00 0.00 175.35 175.60 3h1c n PRO 229 N 1.03 0.43 -2.10 -1.68 -0.04 -1.26 -4.13 135.00 127.25 3h1c n PRO 229 Ca -0.00 0.20 -0.36 0.00 -0.04 0.00 0.00 63.50 63.29 3h1c n PRO 229 Cb 0.49 -2.08 0.02 0.00 -0.04 0.00 0.00 33.50 31.88 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 -3.13 3.16 0.38 0.54 0.52 -1.26 -4.51 118.95 114.64 3h1c s ARG 230 Ca 0.71 1.78 -0.25 0.00 -0.52 0.00 0.00 55.73 57.44 3h1c s ARG 230 Cb -0.35 -2.00 -0.09 0.00 0.52 0.00 0.00 34.95 33.03 3h1c s ARG 230 CO 0.53 -1.05 1.07 -1.58 0.02 0.00 0.00 175.30 174.29 3h1c s TRP 231 N -1.63 3.30 -0.45 -0.53 0.52 -0.69 -4.94 118.94 114.53 3h1c s TRP 231 Ca 0.75 1.65 -0.29 0.00 0.02 0.00 0.00 56.10 58.23 3h1c s TRP 231 Cb -0.29 -3.19 0.01 0.00 -1.15 0.00 0.00 33.47 28.86 3h1c s TRP 231 CO 0.32 -0.69 1.39 0.34 0.02 0.00 0.00 176.95 178.32 3h1c s ASP 232 N -1.39 6.31 -0.27 2.95 -1.08 -1.26 -4.91 116.67 117.03 3h1c s ASP 232 Ca 0.55 0.67 -0.16 0.00 -0.52 0.00 0.00 52.55 53.09 3h1c s ASP 232 Cb -0.25 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 38.75 3h1c s ASP 232 CO 0.31 -1.48 0.67 0.86 0.52 0.00 0.00 175.17 176.05 3h1c s TRP 233 N 5.49 -1.03 -0.01 -5.34 -0.00 -1.26 -5.15 118.94 111.64 3h1c s TRP 233 Ca 0.58 2.06 0.01 0.00 -0.00 0.00 0.00 56.10 58.76 3h1c s TRP 233 Cb -0.12 0.60 -0.00 0.00 -0.00 0.00 0.00 33.47 33.95 3h1c s TRP 233 CO 0.31 -0.51 -0.04 -0.65 -0.00 0.00 0.00 176.95 176.05 3h1c s GLN 234 N 1.60 0.40 0.65 5.86 -1.52 -1.26 -5.12 119.66 120.27 3h1c s GLN 234 Ca -0.10 -0.15 -0.17 0.00 -1.95 0.00 0.00 55.36 52.99 3h1c s GLN 234 Cb -0.05 -0.40 -0.00 0.00 -0.22 0.00 0.00 33.01 32.33 3h1c s GLN 234 CO -0.19 0.08 1.21 -1.25 -0.25 0.00 0.00 175.29 174.89 3h1c s PRO 235 N 0.02 2.63 0.24 2.91 0.04 -1.26 -4.94 135.00 134.64 3h1c s PRO 235 Ca 0.00 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 62.52 3h1c s PRO 235 Cb -0.03 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 3h1c s PRO 235 CO -0.00 -1.47 1.61 0.39 0.04 0.00 0.00 177.00 177.57 3h1c n GLU 236 N -2.07 2.54 -1.68 4.56 4.71 -1.26 -4.89 120.64 122.55 3h1c n GLU 236 Ca 0.14 0.91 -0.45 0.00 -0.01 0.00 0.00 57.16 57.74 3h1c n GLU 236 Cb 0.50 -2.69 -0.04 0.00 -1.01 0.00 0.00 31.44 28.20 3h1c n GLU 236 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 3h1c n PRO 237 N 2.90 2.40 -2.13 3.49 -0.02 -1.26 -4.89 135.00 135.49 3h1c n PRO 237 Ca 0.13 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 62.05 3h1c n PRO 237 Cb 0.34 -2.72 -0.02 0.00 -0.02 0.00 0.00 33.50 31.08 3h1c n PRO 237 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3h1c s VAL 238 N 2.74 3.67 -0.69 -1.45 0.11 -1.26 -4.94 120.40 118.58 3h1c s VAL 238 Ca 0.85 0.71 -0.27 0.00 -2.93 0.00 0.00 61.98 60.33 3h1c s VAL 238 Cb -0.61 -3.82 0.02 0.00 -1.53 0.00 0.00 36.38 30.45 3h1c s VAL 238 CO 0.43 -0.46 1.34 0.21 -3.33 0.00 0.00 175.10 173.28 3h1c s ASN 239 N 4.89 6.10 0.23 3.54 2.47 -1.26 -4.87 114.94 126.04 3h1c s ASN 239 Ca 0.72 -0.24 0.02 0.00 0.42 0.00 0.00 52.86 53.78 3h1c s ASN 239 Cb -0.21 -2.55 0.24 0.00 -1.45 0.00 0.00 41.25 37.27 3h1c s ASN 239 CO 0.32 -1.84 1.56 -0.08 -3.72 0.00 0.00 177.10 173.34 3h1c h GLU 240 N 10.55 0.35 -0.09 0.43 4.81 -1.99 -1.85 114.58 126.80 3h1c h GLU 240 Ca -0.27 -0.22 -0.16 0.00 -0.13 0.00 0.00 59.36 58.58 3h1c h GLU 240 Cb 1.07 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3h1c h GLU 240 CO 1.25 0.81 -0.63 0.00 -0.73 0.00 0.00 179.01 179.71 3h1c h ALA 241 N 1.15 0.76 0.07 2.92 0.00 -2.00 -2.91 119.26 119.24 3h1c h ALA 241 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 54.91 54.08 3h1c h ALA 241 Cb 1.05 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.78 3h1c h ALA 241 CO 0.09 0.74 -1.13 1.25 0.00 0.00 0.00 179.25 180.19 3h1c h LEU 242 N 0.23 0.76 -1.53 0.00 5.85 -1.95 -3.13 115.31 115.54 3h1c h LEU 242 Ca -0.01 -0.67 -0.04 0.00 0.84 0.00 0.00 57.88 58.00 3h1c h LEU 242 Cb 1.16 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3h1c h LEU 242 CO 0.10 1.48 -0.14 0.78 -0.34 0.00 0.00 178.44 180.32 3h1c h ASN 243 N 0.27 0.12 0.46 1.25 2.35 -1.36 -2.43 115.58 116.24 3h1c h ASN 243 Ca -0.15 -0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.36 3h1c h ASN 243 Cb 1.80 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 40.14 3h1c h ASN 243 CO 0.21 0.28 -0.96 0.00 -1.65 0.00 0.00 177.43 175.31 3h1c h ALA 244 N 1.74 0.38 0.01 -0.83 0.00 -1.57 -2.90 119.26 116.10 3h1c h ALA 244 Ca 0.02 -0.74 -0.20 0.00 0.00 0.00 0.00 54.91 54.00 3h1c h ALA 244 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h1c h ALA 244 CO 0.02 0.87 -0.90 -0.09 0.00 0.00 0.00 179.25 179.15 3h1c h ARG 245 N 0.17 0.16 -0.24 0.00 2.43 -1.45 -2.10 114.38 113.35 3h1c h ARG 245 Ca -0.07 -0.19 -0.17 0.00 -0.81 0.00 0.00 59.98 58.74 3h1c h ARG 245 Cb 1.60 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 3h1c h ARG 245 CO 0.16 0.95 -0.51 0.28 -1.51 0.00 0.00 179.97 179.34 3h1c h VAL 246 N 0.08 1.30 0.00 0.20 2.07 -1.54 -3.22 116.25 115.15 3h1c h VAL 246 Ca -0.04 -1.71 -0.08 0.00 0.82 0.00 0.00 66.70 65.68 3h1c h VAL 246 Cb 1.55 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3h1c h VAL 246 CO 0.13 0.55 -0.37 0.00 0.02 0.00 0.00 177.57 177.90 3h1c h ALA 247 N 0.63 1.22 0.00 1.67 0.00 -1.51 -2.15 119.26 119.11 3h1c h ALA 247 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3h1c h ALA 247 Cb 1.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3h1c h ALA 247 CO 0.11 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3h1c h ALA 248 N 1.63 1.00 0.00 0.00 0.00 -1.38 -0.91 119.26 119.60 3h1c h ALA 248 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h1c h ALA 248 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3h1c h ALA 248 CO 0.05 0.00 -0.34 1.28 0.00 0.00 0.00 179.25 180.24 3h1c n LEU 249 N -2.69 0.21 0.00 0.00 4.77 -1.07 -4.85 117.00 113.37 3h1c n LEU 249 Ca 0.00 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 3h1c n LEU 249 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3h1c n LEU 249 CO 0.21 0.05 -0.42 0.00 -1.33 0.00 0.00 177.39 175.90 3h1c n ALA 250 N -1.18 2.41 -0.18 -1.18 0.00 -0.83 -4.76 120.51 114.78 3h1c n ALA 250 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 3h1c n ALA 250 Cb 0.08 0.42 0.43 0.00 0.00 0.00 0.00 19.45 20.38 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 0.57 0.00 0.00 4.81 -1.37 0.39 114.58 118.98 3h1c h GLU 251 Ca 0.00 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 3h1c h GLU 251 Cb 0.85 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3h1c h GLU 251 CO 0.00 0.37 -0.39 0.00 -0.73 0.00 0.00 179.01 178.26 3h1c h ALA 252 N 1.63 1.28 0.01 2.92 0.00 -1.88 -2.91 119.26 120.30 3h1c h ALA 252 Ca 0.36 -0.36 -0.34 0.00 0.00 0.00 0.00 54.91 54.58 3h1c h ALA 252 Cb 0.60 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3h1c h ALA 252 CO -0.13 0.49 -2.10 0.54 0.00 0.00 0.00 179.25 178.05 3h1c n ARG 253 N -3.96 0.67 0.21 0.00 1.74 -0.12 -4.28 116.66 110.92 3h1c n ARG 253 Ca -0.02 0.14 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 3h1c n ARG 253 Cb 0.44 -1.64 0.47 0.00 -1.02 0.00 0.00 32.46 30.70 3h1c n ARG 253 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3h1c h LEU 254 N 0.00 0.00 -0.65 0.55 3.38 -0.34 -0.69 115.31 117.56 3h1c h LEU 254 Ca -0.44 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 3h1c h LEU 254 Cb 2.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.86 3h1c h LEU 254 CO 0.05 0.28 -0.37 -1.28 0.09 0.00 0.00 178.44 177.20 3h1c h SER 255 N 0.00 0.67 1.18 -0.43 0.87 -1.70 -3.01 113.55 111.13 3h1c h SER 255 Ca -0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3h1c h SER 255 Cb 0.67 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3h1c h SER 255 CO 0.04 0.97 -0.49 0.44 -0.53 0.00 0.00 176.83 177.26 3h1c h ASP 256 N 0.53 0.00 0.03 6.23 3.32 -1.67 -3.33 116.42 121.54 3h1c h ASP 256 Ca 0.05 -0.10 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 3h1c h ASP 256 Cb 0.88 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 3h1c h ASP 256 CO 0.08 0.05 -0.67 0.00 -1.72 0.00 0.00 179.24 176.97 3h1c h ALA 257 N 2.33 0.54 -0.15 3.45 0.00 -1.00 -3.06 119.26 121.37 3h1c h ALA 257 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3h1c h ALA 257 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3h1c h ALA 257 CO 0.00 0.71 0.00 0.66 0.00 0.00 0.00 179.25 180.62 3h1c n TYR 258 N -3.91 0.20 0.44 0.00 4.01 -1.15 -3.61 117.16 113.14 3h1c n TYR 258 Ca -0.05 -0.10 0.12 0.00 -0.16 0.00 0.00 57.90 57.72 3h1c n TYR 258 Cb 0.68 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.95 3h1c n TYR 258 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3h1c h ARG 259 N 1.93 0.00 -6.57 -0.72 2.43 -1.63 -3.41 114.38 106.39 3h1c h ARG 259 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 3h1c h ARG 259 Cb 0.42 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3h1c h ARG 259 CO 0.00 0.00 0.59 0.42 -1.51 0.00 0.00 179.97 179.47 3h1c s ILE 260 N -3.18 3.68 0.04 1.20 1.01 -1.24 -4.90 121.20 117.82 3h1c s ILE 260 Ca 0.07 1.29 -0.17 0.00 0.00 0.00 0.00 60.65 61.84 3h1c s ILE 260 Cb 0.10 -3.82 -0.23 0.00 0.01 0.00 0.00 42.46 38.52 3h1c s ILE 260 CO 0.67 0.15 1.16 0.71 0.00 0.00 0.00 174.94 177.62 3h1c h THR 261 N 4.13 1.35 -3.91 2.92 1.35 -1.89 -3.42 112.91 113.45 3h1c h THR 261 Ca -0.43 -2.12 -0.50 0.00 -0.55 0.00 0.00 66.41 62.80 3h1c h THR 261 Cb 1.21 2.44 0.04 0.00 -1.73 0.00 0.00 68.15 70.11 3h1c h THR 261 CO 0.79 0.64 0.49 -0.62 -0.25 0.00 0.00 175.52 176.58 3h1c s ASP 262 N -7.00 6.75 -0.06 5.36 2.15 -1.26 -4.45 116.67 118.16 3h1c s ASP 262 Ca -0.12 2.30 -0.27 0.00 0.43 0.00 0.00 52.55 54.90 3h1c s ASP 262 Cb 0.05 -2.61 -0.22 0.00 -0.30 0.00 0.00 42.92 39.84 3h1c s ASP 262 CO 0.87 -0.51 1.08 0.50 -0.17 0.00 0.00 175.17 176.94 3h1c h LYS 263 N 2.94 -0.01 -0.37 4.34 3.64 -1.99 -2.81 116.57 122.31 3h1c h LYS 263 Ca -0.48 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 3h1c h LYS 263 Cb 1.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 3h1c h LYS 263 CO 0.64 0.65 0.02 1.96 -2.27 0.00 0.00 179.45 180.45 3h1c h GLN 264 N -0.68 0.57 0.00 1.90 4.20 -1.99 -0.98 115.11 118.13 3h1c h GLN 264 Ca -0.00 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 3h1c h GLN 264 Cb 0.66 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3h1c h GLN 264 CO 0.00 0.58 -0.52 0.93 -0.67 0.00 0.00 178.83 179.15 3h1c h GLU 265 N 0.55 0.00 0.02 1.46 5.08 -1.98 -2.83 114.58 116.88 3h1c h GLU 265 Ca 0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3h1c h GLU 265 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 3h1c h GLU 265 CO 0.01 0.52 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.17 3h1c h ARG 266 N 0.00 0.15 0.00 2.33 2.43 -1.14 -2.85 114.38 115.30 3h1c h ARG 266 Ca -0.01 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 3h1c h ARG 266 Cb 1.17 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3h1c h ARG 266 CO 0.07 1.00 -0.28 1.88 -1.51 0.00 0.00 179.97 181.13 3h1c h TYR 267 N -0.61 0.00 -0.03 2.20 0.05 -1.29 0.18 116.97 117.47 3h1c h TYR 267 Ca -0.04 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.53 3h1c h TYR 267 Cb 1.11 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.85 3h1c h TYR 267 CO 0.21 0.28 -0.85 0.00 -1.05 0.00 0.00 178.16 176.75 3h1c h ALA 268 N 1.72 0.48 0.02 3.88 0.00 -1.61 -3.13 119.26 120.62 3h1c h ALA 268 Ca -0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 3h1c h ALA 268 Cb 0.53 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3h1c h ALA 268 CO 0.04 0.81 -0.24 0.37 0.00 0.00 0.00 179.25 180.22 3h1c h GLN 269 N 0.23 0.14 0.00 0.00 5.75 -1.18 -3.24 115.11 116.81 3h1c h GLN 269 Ca -0.05 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.26 3h1c h GLN 269 Cb 1.46 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 30.06 3h1c h GLN 269 CO 0.14 0.96 -0.07 -0.24 -2.65 0.00 0.00 178.83 176.97 3h1c h VAL 270 N -0.61 0.78 -0.00 2.39 3.04 -0.79 -1.41 116.25 119.65 3h1c h VAL 270 Ca -0.03 -0.27 -0.16 0.00 -1.01 0.00 0.00 66.70 65.23 3h1c h VAL 270 Cb 1.06 1.16 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 3h1c h VAL 270 CO 0.05 0.07 -0.75 -0.78 -1.01 0.00 0.00 177.57 175.15 3h1c h ASP 271 N 0.00 0.02 -0.13 3.17 3.58 -1.64 -2.70 116.42 118.72 3h1c h ASP 271 Ca -0.00 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 3h1c h ASP 271 Cb 0.15 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 3h1c h ASP 271 CO 0.01 0.76 -0.05 0.58 -2.88 0.00 0.00 179.24 177.66 3h1c h VAL 272 N 0.01 1.31 -0.54 2.25 2.07 -1.28 -1.33 116.25 118.74 3h1c h VAL 272 Ca -0.01 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.47 3h1c h VAL 272 Cb 1.33 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 3h1c h VAL 272 CO 0.10 0.30 0.35 0.40 0.02 0.00 0.00 177.57 178.74 3h1c h ILE 273 N -0.06 1.12 -0.85 4.57 5.03 -1.55 0.12 117.51 125.89 3h1c h ILE 273 Ca 0.03 -0.24 -0.02 0.00 -0.12 0.00 0.00 64.86 64.51 3h1c h ILE 273 Cb 0.50 0.35 -0.04 0.00 -3.03 0.00 0.00 36.82 34.60 3h1c h ILE 273 CO 0.02 0.13 0.45 0.11 -0.68 0.00 0.00 178.15 178.17 3h1c h LYS 274 N 0.70 1.20 0.03 2.37 1.57 -1.47 -1.85 116.57 119.13 3h1c h LYS 274 Ca 0.20 -0.15 -0.25 0.00 -1.87 0.00 0.00 60.65 58.58 3h1c h LYS 274 Cb -0.05 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.04 3h1c h LYS 274 CO -0.06 0.90 -1.04 0.77 -0.57 0.00 0.00 179.45 179.45 3h1c h SER 275 N 1.20 0.68 0.18 0.86 0.02 -0.93 -3.13 113.55 112.43 3h1c h SER 275 Ca 0.30 -0.57 -0.21 0.00 -0.84 0.00 0.00 61.79 60.47 3h1c h SER 275 Cb 0.06 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3h1c h SER 275 CO -0.04 1.37 -0.83 -0.33 -1.14 0.00 0.00 176.83 175.86 3h1c h GLU 276 N 0.27 0.50 -0.34 3.45 5.08 -0.71 -2.28 114.58 120.56 3h1c h GLU 276 Ca -0.11 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 57.69 3h1c h GLU 276 Cb 1.69 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 3h1c h GLU 276 CO 0.19 1.09 -0.20 1.15 -1.00 0.00 0.00 179.01 180.24 3h1c h THR 277 N 0.32 1.29 -0.63 1.13 2.02 -1.45 -2.45 112.91 113.14 3h1c h THR 277 Ca -0.06 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 65.71 3h1c h THR 277 Cb 1.43 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 3h1c h THR 277 CO 0.15 0.43 0.09 0.40 0.37 0.00 0.00 175.52 176.96 3h1c h ILE 278 N 0.50 1.26 -0.22 3.11 2.04 -1.59 -1.35 117.51 121.27 3h1c h ILE 278 Ca 0.07 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 3h1c h ILE 278 Cb 0.75 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3h1c h ILE 278 CO 0.06 0.39 -0.03 0.00 0.00 0.00 0.00 178.15 178.56 3h1c h ALA 279 N 1.02 1.55 0.04 1.87 0.00 -1.37 0.58 119.26 122.95 3h1c h ALA 279 Ca 0.19 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.67 3h1c h ALA 279 Cb 0.45 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3h1c h ALA 279 CO 0.02 0.33 -1.10 1.15 0.00 0.00 0.00 179.25 179.65 3h1c h THR 280 N 0.32 1.30 -0.16 0.00 2.02 -1.23 -3.07 112.91 112.09 3h1c h THR 280 Ca 0.07 -2.35 -0.17 0.00 0.77 0.00 0.00 66.41 64.74 3h1c h THR 280 Cb 0.27 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.16 3h1c h THR 280 CO 0.01 0.72 -0.60 -0.07 0.37 0.00 0.00 175.52 175.94 3h1c h LEU 281 N 0.34 0.60 -0.76 2.58 3.38 -0.88 -2.63 115.31 117.94 3h1c h LEU 281 Ca -0.14 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 3h1c h LEU 281 Cb 1.76 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 3h1c h LEU 281 CO 0.21 1.06 -0.52 -0.07 0.09 0.00 0.00 178.44 179.22 3h1c h LEU 282 N 0.40 0.30 -0.64 1.67 3.38 -1.01 -0.83 115.31 118.58 3h1c h LEU 282 Ca -0.00 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3h1c h LEU 282 Cb 1.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3h1c h LEU 282 CO 0.11 0.76 -0.51 0.00 0.09 0.00 0.00 178.44 178.89 3h1c h ALA 283 N 1.25 0.82 0.05 1.53 0.00 -1.49 -3.14 119.26 118.27 3h1c h ALA 283 Ca 0.01 -0.49 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 3h1c h ALA 283 Cb 0.99 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.71 3h1c h ALA 283 CO 0.08 0.68 -0.95 0.93 0.00 0.00 0.00 179.25 179.99 3h1c h GLU 284 N 0.35 0.55 -3.16 0.00 5.08 -1.40 -3.44 114.58 112.56 3h1c h GLU 284 Ca 0.01 -0.66 -0.38 0.00 -1.00 0.00 0.00 59.36 57.33 3h1c h GLU 284 Cb 1.02 0.20 -0.39 0.00 0.50 0.00 0.00 28.75 30.08 3h1c h GLU 284 CO 0.09 1.27 -0.72 0.34 -1.00 0.00 0.00 179.01 178.99 3h1c s ASP 285 N -7.14 1.45 0.15 1.42 2.15 -0.32 -5.03 116.67 109.35 3h1c s ASP 285 Ca -0.11 -0.10 0.25 0.00 0.43 0.00 0.00 52.55 53.02 3h1c s ASP 285 Cb 0.05 -0.09 0.56 0.00 -0.30 0.00 0.00 42.92 43.14 3h1c s ASP 285 CO 0.89 -0.28 1.52 -0.62 -0.17 0.00 0.00 175.17 176.51 3h1c n GLU 286 N 5.30 0.26 0.00 4.34 1.02 -1.19 -3.77 120.64 126.60 3h1c n GLU 286 Ca -0.05 0.13 0.15 0.00 -0.02 0.00 0.00 57.16 57.38 3h1c n GLU 286 Cb 0.50 -1.72 0.79 0.00 -0.02 0.00 0.00 31.44 30.99 3h1c n GLU 286 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3h1c n THR 287 N -2.14 0.00 -2.28 2.62 -2.24 -1.26 -4.89 114.28 104.09 3h1c n THR 287 Ca 0.04 -0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 3h1c n THR 287 Cb 0.43 -0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.21 3h1c n THR 287 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h1c s LEU 288 N -2.39 3.69 0.23 3.22 1.43 -1.25 -5.04 118.68 118.58 3h1c s LEU 288 Ca 0.34 1.96 -0.19 0.00 -1.03 0.00 0.00 54.13 55.21 3h1c s LEU 288 Cb 0.21 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 3h1c s LEU 288 CO 0.44 -1.05 0.73 -0.62 0.23 0.00 0.00 176.35 176.08 3h1c s ASP 289 N -2.20 7.04 0.02 2.29 2.15 -1.26 -5.01 116.67 119.70 3h1c s ASP 289 Ca 0.67 1.42 -0.19 0.00 0.43 0.00 0.00 52.55 54.88 3h1c s ASP 289 Cb -0.18 -2.42 -0.21 0.00 -0.30 0.00 0.00 42.92 39.81 3h1c s ASP 289 CO 0.28 0.01 1.16 -0.08 -0.17 0.00 0.00 175.17 176.37 3h1c h GLU 290 N 3.31 0.44 -0.00 4.34 4.57 -1.99 -3.27 114.58 121.97 3h1c h GLU 290 Ca -0.48 -0.40 -0.16 0.00 -1.18 0.00 0.00 59.36 57.14 3h1c h GLU 290 Cb 1.19 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 3h1c h GLU 290 CO 0.65 1.05 -0.75 -0.91 -1.18 0.00 0.00 179.01 177.87 3h1c h ASN 291 N -0.03 0.01 -0.50 1.04 2.35 -1.99 -3.18 115.58 113.27 3h1c h ASN 291 Ca -0.05 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 3h1c h ASN 291 Cb 1.19 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.54 3h1c h ASN 291 CO 0.10 0.75 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.48 3h1c h GLU 292 N 0.00 0.97 -0.21 0.81 4.81 -1.99 -2.06 114.58 116.92 3h1c h GLU 292 Ca -0.01 -0.34 -0.10 0.00 -0.13 0.00 0.00 59.36 58.79 3h1c h GLU 292 Cb 1.32 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3h1c h GLU 292 CO 0.10 1.00 -0.31 -0.07 -0.73 0.00 0.00 179.01 179.00 3h1c h LEU 293 N 0.88 0.43 -1.01 1.64 3.38 -1.61 -2.56 115.31 116.45 3h1c h LEU 293 Ca 0.14 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3h1c h LEU 293 Cb 0.62 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3h1c h LEU 293 CO 0.04 0.72 -0.47 1.23 0.09 0.00 0.00 178.44 180.05 3h1c h GLY 294 N 1.06 0.06 1.63 0.83 0.00 -1.49 -1.80 103.07 103.37 3h1c h GLY 294 Ca 0.05 -0.06 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 3h1c h GLY 294 CO 0.06 0.05 -0.67 0.83 0.00 0.00 0.00 176.54 176.81 3h1c h GLU 295 N 0.05 0.37 -0.20 4.80 5.08 -1.13 -1.91 114.58 121.65 3h1c h GLU 295 Ca -0.00 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 57.91 3h1c h GLU 295 Cb 0.85 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3h1c h GLU 295 CO 0.06 0.91 -0.54 0.82 -1.00 0.00 0.00 179.01 179.26 3h1c h ILE 296 N 0.27 1.31 -0.74 3.13 2.04 -1.35 -1.94 117.51 120.21 3h1c h ILE 296 Ca -0.02 -1.77 -0.02 0.00 1.00 0.00 0.00 64.86 64.05 3h1c h ILE 296 Cb 1.22 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 39.14 3h1c h ILE 296 CO 0.11 0.56 0.37 -0.07 0.00 0.00 0.00 178.15 179.12 3h1c h LEU 297 N 0.42 0.95 -0.71 1.44 3.38 -1.33 -2.17 115.31 117.29 3h1c h LEU 297 Ca -0.01 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 3h1c h LEU 297 Cb 1.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3h1c h LEU 297 CO 0.12 0.79 -0.61 -0.74 0.09 0.00 0.00 178.44 178.09 3h1c h HIS 298 N 1.05 0.15 -0.26 1.13 2.76 -1.34 -2.26 115.15 116.38 3h1c h HIS 298 Ca 0.26 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.27 3h1c h HIS 298 Cb 0.08 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 3h1c h HIS 298 CO 0.01 0.70 -0.28 0.00 -1.30 0.00 0.00 177.93 177.06 3h1c h ALA 299 N 1.29 1.05 -0.14 5.26 0.00 -0.88 -0.30 119.26 125.55 3h1c h ALA 299 Ca -0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3h1c h ALA 299 Cb 1.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3h1c h ALA 299 CO 0.09 0.58 -0.46 0.82 0.00 0.00 0.00 179.25 180.28 3h1c h ILE 300 N 0.44 1.35 -0.39 0.00 2.04 -1.36 -2.50 117.51 117.09 3h1c h ILE 300 Ca 0.06 -1.75 -0.00 0.00 1.00 0.00 0.00 64.86 64.17 3h1c h ILE 300 Cb 0.71 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3h1c h ILE 300 CO 0.05 0.53 0.24 -0.33 0.00 0.00 0.00 178.15 178.65 3h1c h GLU 301 N 0.18 0.53 -0.19 2.37 5.08 -1.23 -0.61 114.58 120.70 3h1c h GLU 301 Ca -0.02 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 3h1c h GLU 301 Cb 1.08 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3h1c h GLU 301 CO 0.10 0.37 -0.55 -0.22 -1.00 0.00 0.00 179.01 177.70 3h1c h LYS 302 N 0.54 0.71 -0.16 2.33 3.64 -1.06 -3.24 116.57 119.33 3h1c h LYS 302 Ca 0.14 -0.51 -0.17 0.00 -1.27 0.00 0.00 60.65 58.84 3h1c h LYS 302 Cb -0.03 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3h1c h LYS 302 CO -0.03 1.13 -0.61 -0.97 -2.27 0.00 0.00 179.45 176.70 3h1c h ASN 303 N 0.41 0.61 -0.47 4.20 -1.24 -0.96 -2.49 115.58 115.65 3h1c h ASN 303 Ca -0.02 -0.35 -0.06 0.00 0.71 0.00 0.00 56.30 56.58 3h1c h ASN 303 Cb 1.17 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 40.03 3h1c h ASN 303 CO 0.12 1.08 0.05 0.58 -1.29 0.00 0.00 177.43 177.97 3h1c h VAL 304 N 0.40 1.25 -0.09 2.57 2.07 -1.24 -1.94 116.25 119.27 3h1c h VAL 304 Ca -0.01 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 3h1c h VAL 304 Cb 1.17 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3h1c h VAL 304 CO 0.11 0.34 -0.11 0.58 0.02 0.00 0.00 177.57 178.51 3h1c h VAL 305 N 0.65 1.37 -0.30 2.57 2.07 -1.59 -3.20 116.25 117.83 3h1c h VAL 305 Ca 0.14 -1.30 -0.08 0.00 0.82 0.00 0.00 66.70 66.28 3h1c h VAL 305 Cb 0.42 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3h1c h VAL 305 CO 0.01 0.37 -0.15 0.03 0.02 0.00 0.00 177.57 177.85 3h1c h ARG 306 N -0.18 0.52 -0.10 1.57 -0.00 -1.46 -2.90 114.38 111.82 3h1c h ARG 306 Ca 0.01 -0.16 -0.13 0.00 -0.50 0.00 0.00 59.98 59.20 3h1c h ARG 306 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.55 3h1c h ARG 306 CO 0.03 0.66 -0.53 0.66 0.00 0.00 0.00 179.97 180.79 3h1c h SER 307 N 0.48 0.32 -0.10 7.04 4.64 -1.43 -2.44 113.55 122.05 3h1c h SER 307 Ca 0.08 -0.16 -0.23 0.00 -0.47 0.00 0.00 61.79 61.01 3h1c h SER 307 Cb 0.54 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3h1c h SER 307 CO 0.03 0.79 -0.82 0.03 -0.87 0.00 0.00 176.83 175.99 3h1c h ARG 308 N 0.23 0.76 -0.33 4.77 3.08 -1.52 -2.56 114.38 118.81 3h1c h ARG 308 Ca 0.01 -0.65 -0.15 0.00 0.07 0.00 0.00 59.98 59.26 3h1c h ARG 308 Cb 1.00 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3h1c h ARG 308 CO 0.08 1.25 -0.38 0.28 -1.07 0.00 0.00 179.97 180.13 3h1c h VAL 309 N 0.51 1.28 -0.18 2.04 2.07 -1.53 0.50 116.25 120.94 3h1c h VAL 309 Ca -0.06 -1.56 -0.17 0.00 0.82 0.00 0.00 66.70 65.73 3h1c h VAL 309 Cb 1.45 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3h1c h VAL 309 CO 0.17 0.51 -0.58 -0.07 0.02 0.00 0.00 177.57 177.62 3h1c h LEU 310 N 0.65 0.65 -0.24 2.57 -0.00 -1.49 -3.27 115.31 114.19 3h1c h LEU 310 Ca 0.06 -0.36 -0.21 0.00 -0.00 0.00 0.00 57.88 57.36 3h1c h LEU 310 Cb 0.94 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 3h1c h LEU 310 CO 0.09 1.08 -0.85 0.00 -0.00 0.00 0.00 178.44 178.76 3h1c h ALA 311 N 0.93 0.41 0.00 1.53 0.00 -1.47 -3.48 119.26 117.18 3h1c h ALA 311 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3h1c h ALA 311 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3h1c h ALA 311 CO 0.11 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.53 3h1c n GLY 312 N 0.78 1.13 3.79 0.00 0.00 -0.99 -5.11 105.19 104.79 3h1c n GLY 312 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 3.62 0.66 1.61 2.02 0.13 -5.01 118.70 121.73 3h1c s GLU 313 Ca 0.00 1.42 -0.18 0.00 0.02 0.00 0.00 54.97 56.23 3h1c s GLU 313 Cb 0.00 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 3h1c s GLU 313 CO 0.00 -0.59 1.19 -0.35 0.02 0.00 0.00 175.26 175.53 3h1c n PRO 314 N -1.17 0.96 -1.12 0.39 -0.04 -1.26 -4.45 135.00 128.30 3h1c n PRO 314 Ca 0.10 0.38 -0.30 0.00 -0.04 0.00 0.00 63.50 63.64 3h1c n PRO 314 Cb 0.52 -2.43 0.25 0.00 -0.04 0.00 0.00 33.50 31.80 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 -3.29 -1.35 0.14 0.54 0.52 -0.89 -4.86 118.95 109.77 3h1c s ARG 315 Ca 0.80 -0.17 -0.18 0.00 -0.52 0.00 0.00 55.73 55.66 3h1c s ARG 315 Cb -0.38 -1.59 0.02 0.00 0.52 0.00 0.00 34.95 33.52 3h1c s ARG 315 CO 0.43 -3.77 1.74 0.82 0.02 0.00 0.00 175.30 174.53 3h1c h ILE 316 N -2.62 0.88 -0.13 1.52 5.03 -1.91 -2.12 117.51 118.17 3h1c h ILE 316 Ca -0.43 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.24 3h1c h ILE 316 Cb 1.28 0.68 0.00 0.00 -3.03 0.00 0.00 36.82 35.75 3h1c h ILE 316 CO 0.31 0.03 0.00 -0.90 -0.68 0.00 0.00 178.15 176.91 3h1c n ASP 317 N -5.07 1.52 -1.20 1.72 5.75 -1.26 -3.75 116.55 114.26 3h1c n ASP 317 Ca -0.00 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 3h1c n ASP 317 Cb 0.12 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 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 1.12 0.80 3.33 6.12 0.00 -0.80 -4.87 105.19 110.90 3h1c n GLY 318 Ca 0.17 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.99 1.29 0.85 1.61 0.52 -1.26 -4.86 118.95 114.12 3h1c s ARG 319 Ca 0.00 -1.56 -0.08 0.00 -0.52 0.00 0.00 55.73 53.57 3h1c s ARG 319 Cb 0.00 -1.08 0.17 0.00 0.52 0.00 0.00 34.95 34.57 3h1c s ARG 319 CO 0.00 0.18 1.17 -1.21 0.02 0.00 0.00 175.30 175.46 3h1c s GLU 320 N -3.60 1.06 0.54 3.54 0.41 -1.26 -2.09 118.70 117.30 3h1c s GLU 320 Ca 0.21 -0.86 0.27 0.00 -0.41 0.00 0.00 54.97 54.18 3h1c s GLU 320 Cb -0.01 -2.10 1.52 0.00 -1.78 0.00 0.00 34.13 31.77 3h1c s GLU 320 CO 0.06 -1.99 2.13 1.57 -0.49 0.00 0.00 175.26 176.54 3h1c h LYS 321 N -1.11 0.00 0.00 1.61 2.10 -1.96 -3.17 116.57 114.04 3h1c h LYS 321 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 3h1c h LYS 321 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3h1c h LYS 321 CO 0.36 0.09 -0.95 -0.40 -2.00 0.00 0.00 179.45 176.55 3h1c n ASP 322 N -3.79 2.76 -4.74 7.07 5.75 -1.26 -2.02 116.55 120.31 3h1c n ASP 322 Ca -0.02 -0.18 -0.41 0.00 -0.01 0.00 0.00 54.79 54.16 3h1c n ASP 322 Cb 0.18 1.17 -0.02 0.00 -1.03 0.00 0.00 41.12 41.42 3h1c n ASP 322 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3h1c s MET 323 N -2.11 4.25 0.32 0.11 -1.94 -1.20 -4.73 119.30 114.00 3h1c s MET 323 Ca -0.01 2.32 0.08 0.00 -1.71 0.00 0.00 55.69 56.37 3h1c s MET 323 Cb 0.04 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 3h1c s MET 323 CO 0.22 -0.45 0.14 0.96 -0.01 0.00 0.00 175.02 175.87 3h1c s ILE 324 N 0.16 3.32 0.93 2.53 -4.36 -1.26 -4.65 121.20 117.87 3h1c s ILE 324 Ca 0.61 -1.66 -0.12 0.00 -0.26 0.00 0.00 60.65 59.22 3h1c s ILE 324 Cb -0.42 -3.02 0.15 0.00 1.25 0.00 0.00 42.46 40.41 3h1c s ILE 324 CO 0.42 -0.23 1.10 0.00 0.24 0.00 0.00 174.94 176.46 3h1c s ARG 325 N -3.83 0.97 0.43 0.37 1.70 -1.26 -5.00 118.95 112.32 3h1c s ARG 325 Ca 0.36 0.62 -0.25 0.00 -0.47 0.00 0.00 55.73 56.00 3h1c s ARG 325 Cb -0.04 -1.79 -0.08 0.00 -0.57 0.00 0.00 34.95 32.47 3h1c s ARG 325 CO 0.23 -2.39 1.30 0.20 -1.08 0.00 0.00 175.30 173.56 3h1c s GLY 326 N -3.54 2.90 -0.08 3.88 0.00 -1.26 -4.74 107.32 104.48 3h1c s GLY 326 Ca 0.64 1.22 0.02 0.00 0.00 0.00 0.00 44.72 46.60 3h1c s GLY 326 CO 0.57 1.79 -0.12 1.08 0.00 0.00 0.00 173.10 176.42 3h1c s LEU 327 N -2.62 2.86 -0.20 0.66 1.43 -1.26 -3.66 118.68 115.89 3h1c s LEU 327 Ca 0.59 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.51 3h1c s LEU 327 Cb -0.37 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.28 3h1c s LEU 327 CO 0.48 0.29 -0.05 -0.62 0.23 0.00 0.00 176.35 176.67 3h1c s ASP 328 N -0.40 3.30 -0.24 2.29 2.15 -0.25 -5.01 116.67 118.51 3h1c s ASP 328 Ca 0.05 -0.90 -0.05 0.00 0.43 0.00 0.00 52.55 52.08 3h1c s ASP 328 Cb -0.12 -1.03 -0.02 0.00 -0.30 0.00 0.00 42.92 41.45 3h1c s ASP 328 CO 0.02 -0.21 0.01 -0.69 -0.17 0.00 0.00 175.17 174.13 3h1c s VAL 329 N 1.53 3.77 -0.04 1.11 1.01 -1.26 -1.34 120.40 125.18 3h1c s VAL 329 Ca -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3h1c s VAL 329 Cb -0.17 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3h1c s VAL 329 CO -0.07 0.37 -0.11 -0.13 0.00 0.00 0.00 175.10 175.16 3h1c s ARG 330 N 1.53 1.29 -0.10 2.72 0.52 -0.78 -4.98 118.95 119.14 3h1c s ARG 330 Ca 0.06 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 3h1c s ARG 330 Cb -0.15 -1.15 0.01 0.00 0.52 0.00 0.00 34.95 34.18 3h1c s ARG 330 CO -0.00 0.12 -0.20 0.99 0.02 0.00 0.00 175.30 176.22 3h1c s THR 331 N 0.28 1.80 0.00 0.02 2.01 -1.26 -1.23 115.64 117.26 3h1c s THR 331 Ca -0.06 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.09 3h1c s THR 331 Cb -0.11 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.81 3h1c s THR 331 CO 0.01 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 3h1c n GLY 332 N 3.79 0.62 0.24 4.40 0.00 -0.54 -4.99 105.19 108.70 3h1c n GLY 332 Ca -0.20 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.00 -4.06 1.61 3.04 -1.86 -3.44 116.25 111.54 3h1c h VAL 333 Ca 0.00 -0.73 -0.69 0.00 -1.01 0.00 0.00 66.70 64.28 3h1c h VAL 333 Cb 0.81 1.72 -0.23 0.00 -2.01 0.00 0.00 31.29 31.58 3h1c h VAL 333 CO 0.00 0.00 -0.81 -0.76 -1.01 0.00 0.00 177.57 174.99 3h1c s LEU 334 N -6.08 2.55 -0.02 3.16 1.43 -1.26 -5.06 118.68 113.39 3h1c s LEU 334 Ca 0.04 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 3h1c s LEU 334 Cb 0.07 -1.49 -0.24 0.00 0.03 0.00 0.00 46.19 44.56 3h1c s LEU 334 CO 0.60 0.28 0.74 1.55 0.23 0.00 0.00 176.35 179.74 3h1c h PRO 335 N 4.77 0.08 -2.34 1.29 0.13 -2.01 -3.42 132.00 130.50 3h1c h PRO 335 Ca -0.47 -0.13 -0.66 0.00 -0.87 0.00 0.00 66.00 63.87 3h1c h PRO 335 Cb 1.15 0.05 -0.38 0.00 0.13 0.00 0.00 31.00 31.95 3h1c h PRO 335 CO 0.48 0.76 -0.19 -2.13 -0.23 0.00 0.00 178.00 176.69 3h1c n ARG 336 N -3.21 3.46 -3.70 0.86 3.00 -1.26 -5.01 116.66 110.81 3h1c n ARG 336 Ca -0.17 -4.73 -0.09 0.00 -0.00 0.00 0.00 57.85 52.86 3h1c n ARG 336 Cb 1.03 -2.32 -0.03 0.00 0.00 0.00 0.00 32.46 31.15 3h1c n ARG 336 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 3h1c s THR 337 N -3.46 0.01 -0.03 5.15 -1.32 -1.26 -5.09 115.64 109.64 3h1c s THR 337 Ca 0.42 -0.65 -0.10 0.00 -1.21 0.00 0.00 61.69 60.15 3h1c s THR 337 Cb 0.18 -1.57 -0.05 0.00 -1.51 0.00 0.00 72.50 69.55 3h1c s THR 337 CO -0.05 -0.04 0.52 0.45 -2.21 0.00 0.00 174.62 173.29 3h1c h HIS 338 N 2.08 -0.33 -3.60 9.09 3.86 -1.95 -3.46 115.15 120.84 3h1c h HIS 338 Ca -0.27 -0.01 -0.67 0.00 -1.16 0.00 0.00 60.37 58.26 3h1c h HIS 338 Cb 1.27 0.11 -0.22 0.00 1.06 0.00 0.00 27.41 29.63 3h1c h HIS 338 CO 0.34 -0.21 -0.71 0.20 0.86 0.00 0.00 177.93 178.41 3h1c s GLY 339 N -2.57 1.64 -0.05 2.45 0.00 0.16 -3.66 107.32 105.30 3h1c s GLY 339 Ca -0.05 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 3h1c s GLY 339 CO 0.16 -0.48 0.11 -0.45 0.00 0.00 0.00 173.10 172.43 3h1c s SER 340 N -0.36 0.20 -0.07 1.64 0.15 -1.26 -1.95 113.70 112.06 3h1c s SER 340 Ca 0.05 0.21 -0.12 0.00 0.70 0.00 0.00 55.95 56.78 3h1c s SER 340 Cb -0.12 0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.30 3h1c s SER 340 CO 0.02 -0.17 0.30 0.00 1.20 0.00 0.00 173.24 174.59 3h1c s ALA 341 N 1.42 -0.74 -0.26 5.45 0.00 -0.51 -1.47 121.76 125.63 3h1c s ALA 341 Ca -0.06 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 3h1c s ALA 341 Cb -0.12 -0.22 0.09 0.00 0.00 0.00 0.00 23.12 22.86 3h1c s ALA 341 CO -0.05 -0.20 0.09 -1.17 0.00 0.00 0.00 175.76 174.43 3h1c s LEU 342 N -0.57 1.37 -0.14 0.00 2.96 -0.36 -1.91 118.68 120.03 3h1c s LEU 342 Ca -0.07 -1.26 -0.05 0.00 -0.22 0.00 0.00 54.13 52.54 3h1c s LEU 342 Cb -0.04 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 3h1c s LEU 342 CO 0.02 -0.39 0.03 0.12 -1.32 0.00 0.00 176.35 174.81 3h1c s PHE 343 N 1.85 3.20 -0.03 5.38 5.36 -1.07 -1.87 117.98 130.79 3h1c s PHE 343 Ca 0.06 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.14 3h1c s PHE 343 Cb -0.17 -1.94 0.01 0.00 -0.34 0.00 0.00 43.02 40.58 3h1c s PHE 343 CO -0.23 0.28 -0.09 0.99 -1.46 0.00 0.00 175.22 174.71 3h1c s THR 344 N -0.22 0.84 0.00 0.12 2.01 -0.45 -1.46 115.64 116.48 3h1c s THR 344 Ca 0.06 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3h1c s THR 344 Cb -0.12 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.63 3h1c s THR 344 CO 0.02 0.27 0.00 -1.14 -0.69 0.00 0.00 174.62 173.07 3h1c n ARG 345 N 3.42 3.62 0.00 4.92 0.63 0.59 -1.09 116.66 128.76 3h1c n ARG 345 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 3h1c n ARG 345 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 3h1c n ARG 345 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3h1c n GLY 346 N 4.99 -3.03 2.57 5.14 0.00 -1.24 -3.75 105.19 109.87 3h1c n GLY 346 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 3h1c n GLY 346 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h1c n GLU 347 N -2.72 1.09 -4.35 1.61 1.02 -1.26 -4.84 120.64 111.20 3h1c n GLU 347 Ca 0.00 -2.73 -0.23 0.00 -0.02 0.00 0.00 57.16 54.18 3h1c n GLU 347 Cb 0.00 -1.03 -0.17 0.00 -0.02 0.00 0.00 31.44 30.23 3h1c n GLU 347 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3h1c s THR 348 N -1.62 0.89 -0.02 2.62 -4.23 -1.25 -3.37 115.64 108.67 3h1c s THR 348 Ca 0.28 -0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 3h1c s THR 348 Cb 0.39 -0.86 0.01 0.00 1.34 0.00 0.00 72.50 73.38 3h1c s THR 348 CO -0.03 0.31 -0.07 -1.58 -0.54 0.00 0.00 174.62 172.70 3h1c s GLN 349 N 0.89 0.83 -0.11 3.99 0.74 -0.89 -0.30 119.66 124.81 3h1c s GLN 349 Ca -0.11 -0.25 -0.01 0.00 0.05 0.00 0.00 55.36 55.04 3h1c s GLN 349 Cb -0.15 -0.79 0.03 0.00 1.10 0.00 0.00 33.01 33.20 3h1c s GLN 349 CO 0.01 0.08 -0.03 0.00 -0.55 0.00 0.00 175.29 174.80 3h1c s ALA 350 N 0.26 1.06 -0.83 1.58 0.00 -0.54 -1.74 121.76 121.56 3h1c s ALA 350 Ca -0.04 -0.43 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 3h1c s ALA 350 Cb -0.08 -0.90 0.11 0.00 0.00 0.00 0.00 23.12 22.24 3h1c s ALA 350 CO 0.00 -0.56 1.06 -1.17 0.00 0.00 0.00 175.76 175.09 3h1c s LEU 351 N 1.82 4.85 -0.19 0.00 2.96 0.17 -2.60 118.68 125.69 3h1c s LEU 351 Ca 0.04 -1.69 -0.10 0.00 -0.22 0.00 0.00 54.13 52.16 3h1c s LEU 351 Cb -0.13 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 3h1c s LEU 351 CO -0.07 -1.19 0.15 -0.69 -1.32 0.00 0.00 176.35 173.23 3h1c s VAL 352 N 3.13 5.41 0.03 1.68 1.01 -0.80 -0.52 120.40 130.34 3h1c s VAL 352 Ca 0.28 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.57 3h1c s VAL 352 Cb -0.09 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3h1c s VAL 352 CO -0.03 0.45 -0.23 0.42 0.00 0.00 0.00 175.10 175.71 3h1c s THR 353 N 0.26 1.86 -0.11 3.92 -4.23 -0.03 -1.43 115.64 115.88 3h1c s THR 353 Ca 0.09 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 3h1c s THR 353 Cb -0.11 -1.59 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 3h1c s THR 353 CO -0.01 0.33 -0.18 0.00 -0.54 0.00 0.00 174.62 174.22 3h1c s ALA 354 N -0.74 2.43 -0.04 3.99 0.00 -0.82 -1.47 121.76 125.10 3h1c s ALA 354 Ca 0.09 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3h1c s ALA 354 Cb -0.09 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 3h1c s ALA 354 CO 0.01 0.31 -0.22 0.99 0.00 0.00 0.00 175.76 176.85 3h1c s THR 355 N 0.20 1.76 -0.01 0.00 2.01 0.74 -0.66 115.64 119.68 3h1c s THR 355 Ca -0.11 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 60.98 3h1c s THR 355 Cb -0.16 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3h1c s THR 355 CO 0.06 0.50 0.02 -0.76 -0.69 0.00 0.00 174.62 173.75 3h1c s LEU 356 N -0.16 3.63 0.24 4.42 1.43 -1.26 -0.94 118.68 126.02 3h1c s LEU 356 Ca -0.01 0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.93 3h1c s LEU 356 Cb -0.12 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.08 3h1c s LEU 356 CO 0.02 0.29 0.65 -0.83 0.23 0.00 0.00 176.35 176.72 3h1c s GLY 357 N -1.52 -0.21 0.80 -3.19 0.00 -0.82 -5.01 107.32 97.38 3h1c s GLY 357 Ca 0.20 -0.10 -0.09 0.00 0.00 0.00 0.00 44.72 44.72 3h1c s GLY 357 CO 0.10 -0.06 1.12 -0.51 0.00 0.00 0.00 173.10 173.75 3h1c s THR 358 N -3.87 2.13 -1.36 0.90 -4.23 -1.26 -0.79 115.64 107.16 3h1c s THR 358 Ca 0.09 -0.25 0.06 0.00 -1.18 0.00 0.00 61.69 60.41 3h1c s THR 358 Cb -0.04 -2.88 0.10 0.00 1.34 0.00 0.00 72.50 71.02 3h1c s THR 358 CO 0.00 0.00 1.07 0.00 -0.54 0.00 0.00 174.62 175.16 3h1c n ALA 359 N -3.21 1.45 0.19 3.99 0.00 -1.26 -2.17 120.51 119.49 3h1c n ALA 359 Ca 0.12 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.57 3h1c n ALA 359 Cb 0.60 -1.10 0.38 0.00 0.00 0.00 0.00 19.45 19.33 3h1c n ALA 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1c h ARG 360 N 0.00 0.00 -0.63 0.00 3.08 -2.00 -3.15 114.38 111.67 3h1c h ARG 360 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3h1c h ARG 360 Cb 0.07 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.99 3h1c h ARG 360 CO 0.00 0.37 0.22 -0.25 -1.07 0.00 0.00 179.97 179.24 3h1c n ASP 361 N -3.91 4.24 -4.75 7.04 8.00 -0.92 -4.99 116.55 121.25 3h1c n ASP 361 Ca -0.02 -3.32 -0.40 0.00 0.71 0.00 0.00 54.79 51.76 3h1c n ASP 361 Cb 0.43 -0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 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 -3.04 3.37 0.04 2.24 0.00 -1.19 -5.01 121.76 118.17 3h1c s ALA 362 Ca 0.52 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 3h1c s ALA 362 Cb 0.43 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 3h1c s ALA 362 CO 0.10 -0.07 1.12 -1.14 0.00 0.00 0.00 175.76 175.77 3h1c s GLN 363 N -1.03 4.48 -0.23 0.00 0.74 -1.19 -4.90 119.66 117.54 3h1c s GLN 363 Ca 0.45 1.64 -0.12 0.00 0.05 0.00 0.00 55.36 57.38 3h1c s GLN 363 Cb -0.29 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.39 3h1c s GLN 363 CO 0.37 -0.18 0.25 0.08 -0.55 0.00 0.00 175.29 175.26 3h1c s VAL 364 N 1.01 5.30 -0.16 1.34 1.01 -1.26 -1.73 120.40 125.90 3h1c s VAL 364 Ca 0.56 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 3h1c s VAL 364 Cb -0.26 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3h1c s VAL 364 CO 0.29 0.30 -0.06 -0.76 0.00 0.00 0.00 175.10 174.87 3h1c s LEU 365 N 1.20 3.03 -0.91 3.92 1.43 -1.03 -5.02 118.68 121.30 3h1c s LEU 365 Ca 0.12 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3h1c s LEU 365 Cb -0.14 -1.73 0.34 0.00 0.03 0.00 0.00 46.19 44.69 3h1c s LEU 365 CO 0.06 0.13 1.80 0.47 0.23 0.00 0.00 176.35 179.04 3h1c n ASP 366 N 3.77 7.08 -4.84 2.29 8.00 -1.26 -3.33 116.55 128.26 3h1c n ASP 366 Ca -0.18 -3.74 -0.31 0.00 0.71 0.00 0.00 54.79 51.27 3h1c n ASP 366 Cb 0.52 -1.06 0.04 0.00 -0.02 0.00 0.00 41.12 40.60 3h1c n ASP 366 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3h1c s GLU 367 N -4.15 3.17 0.40 -1.24 2.02 -1.26 -4.98 118.70 112.67 3h1c s GLU 367 Ca 0.44 0.89 0.22 0.00 0.02 0.00 0.00 54.97 56.54 3h1c s GLU 367 Cb 0.29 -2.02 0.70 0.00 0.10 0.00 0.00 34.13 33.20 3h1c s GLU 367 CO -0.23 -0.91 1.73 -0.07 0.02 0.00 0.00 175.26 175.80 3h1c h LEU 368 N -0.56 0.00 -0.74 1.80 3.38 -1.95 -3.08 115.31 114.16 3h1c h LEU 368 Ca -0.44 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 3h1c h LEU 368 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3h1c h LEU 368 CO 0.59 0.28 -0.48 0.24 0.09 0.00 0.00 178.44 179.16 3h1c h MET 369 N 0.00 0.36 0.00 1.13 2.86 -1.93 -3.47 114.93 113.89 3h1c h MET 369 Ca -0.00 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3h1c h MET 369 Cb 0.90 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3h1c h MET 369 CO 0.04 0.77 0.00 0.41 1.06 0.00 0.00 176.91 179.18 3h1c n GLY 370 N 0.04 3.80 3.63 8.32 0.00 -1.16 -4.85 105.19 114.97 3h1c n GLY 370 Ca -0.02 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 3h1c n GLY 370 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h1c s GLU 371 N -2.48 3.90 0.06 1.61 2.12 -1.26 -4.20 118.70 118.44 3h1c s GLU 371 Ca 0.00 1.47 0.02 0.00 0.36 0.00 0.00 54.97 56.82 3h1c s GLU 371 Cb 0.00 -3.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 3h1c s GLU 371 CO 0.00 -1.16 -0.08 -0.98 -0.54 0.00 0.00 175.26 172.51 3h1c s ARG 372 N 4.32 0.61 -0.12 4.30 1.70 -1.21 -5.03 118.95 123.51 3h1c s ARG 372 Ca 0.63 -0.89 -0.06 0.00 -0.47 0.00 0.00 55.73 54.94 3h1c s ARG 372 Cb -0.21 -0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 33.84 3h1c s ARG 372 CO 0.25 0.04 0.09 0.95 -1.08 0.00 0.00 175.30 175.55 3h1c s THR 373 N -1.86 5.08 -0.16 4.99 -4.23 -1.26 -2.45 115.64 115.74 3h1c s THR 373 Ca -0.05 0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.44 3h1c s THR 373 Cb -0.07 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 3h1c s THR 373 CO -0.01 0.58 0.10 -0.62 -0.54 0.00 0.00 174.62 174.14 3h1c s ASP 374 N -0.71 6.00 -0.25 3.99 2.15 -0.71 -4.99 116.67 122.14 3h1c s ASP 374 Ca 0.12 0.25 -0.16 0.00 0.43 0.00 0.00 52.55 53.20 3h1c s ASP 374 Cb -0.12 -1.98 -0.12 0.00 -0.30 0.00 0.00 42.92 40.40 3h1c s ASP 374 CO 0.03 0.27 -0.26 0.41 -0.17 0.00 0.00 175.17 175.44 3h1c n THR 375 N 2.92 1.52 -3.12 1.71 -1.04 -1.26 -3.15 114.28 111.86 3h1c n THR 375 Ca -0.18 -0.24 -0.41 0.00 -2.04 0.00 0.00 64.05 61.19 3h1c n THR 375 Cb 0.53 -1.99 -0.06 0.00 -1.82 0.00 0.00 70.33 66.99 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 -2.53 3.26 -0.11 -1.42 5.36 -1.26 -2.88 117.98 118.39 3h1c s PHE 376 Ca -0.35 0.74 0.02 0.00 -0.96 0.00 0.00 56.93 56.38 3h1c s PHE 376 Cb 0.12 -2.88 -0.01 0.00 -0.34 0.00 0.00 43.02 39.91 3h1c s PHE 376 CO 0.49 -0.37 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.19 3h1c s LEU 377 N 2.53 2.45 -0.07 6.12 1.43 -0.78 -5.03 118.68 125.32 3h1c s LEU 377 Ca 0.26 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3h1c s LEU 377 Cb -0.15 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3h1c s LEU 377 CO 0.09 0.18 -0.17 0.12 0.23 0.00 0.00 176.35 176.80 3h1c s PHE 378 N 0.26 1.89 -0.10 0.29 5.36 -1.26 -0.48 117.98 123.93 3h1c s PHE 378 Ca -0.12 -0.71 0.01 0.00 -0.96 0.00 0.00 56.93 55.14 3h1c s PHE 378 Cb -0.16 -1.31 0.02 0.00 -0.34 0.00 0.00 43.02 41.22 3h1c s PHE 378 CO 0.07 -0.31 -0.13 -1.01 -1.46 0.00 0.00 175.22 172.38 3h1c s HIS 379 N 0.47 1.76 -0.16 10.12 3.76 -0.58 -4.75 115.29 125.91 3h1c s HIS 379 Ca -0.15 -0.82 -0.07 0.00 -0.15 0.00 0.00 55.06 53.87 3h1c s HIS 379 Cb -0.16 -1.32 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 3h1c s HIS 379 CO 0.05 -0.46 0.07 -0.47 -0.85 0.00 0.00 174.74 173.08 3h1c s TYR 380 N 1.13 3.29 -0.10 1.40 5.04 -1.26 -1.47 117.35 125.39 3h1c s TYR 380 Ca -0.05 0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.77 3h1c s TYR 380 Cb -0.14 -2.01 0.02 0.00 0.35 0.00 0.00 41.96 40.17 3h1c s TYR 380 CO -0.03 0.30 -0.13 -0.80 -1.34 0.00 0.00 175.55 173.55 3h1c s ASN 381 N -0.05 2.20 -0.59 4.32 0.01 -1.03 -4.81 114.94 114.99 3h1c s ASN 381 Ca 0.07 -0.37 0.04 0.00 -0.71 0.00 0.00 52.86 51.89 3h1c s ASN 381 Cb -0.12 -0.97 0.15 0.00 0.41 0.00 0.00 41.25 40.71 3h1c s ASN 381 CO 0.01 0.00 0.36 0.12 -1.51 0.00 0.00 177.10 176.08 3h1c s PHE 382 N 0.99 3.21 0.54 2.20 5.36 -1.26 -3.12 117.98 125.90 3h1c s PHE 382 Ca -0.07 -3.17 -0.17 0.00 -0.96 0.00 0.00 56.93 52.55 3h1c s PHE 382 Cb -0.15 -2.66 -0.06 0.00 -0.34 0.00 0.00 43.02 39.81 3h1c s PHE 382 CO -0.01 -0.66 1.02 -2.14 -1.46 0.00 0.00 175.22 171.97 3h1c s PRO 383 N -0.74 3.66 0.55 10.12 0.02 -1.26 -4.97 135.00 142.38 3h1c s PRO 383 Ca 0.21 1.12 0.32 0.00 0.02 0.00 0.00 61.00 62.67 3h1c s PRO 383 Cb -0.16 -2.09 1.54 0.00 0.02 0.00 0.00 34.50 33.82 3h1c s PRO 383 CO -0.08 -0.52 2.08 -1.35 -0.33 0.00 0.00 177.00 176.80 3h1c h PRO 384 N 0.83 0.00 0.00 5.54 0.11 -1.90 -2.98 132.00 133.60 3h1c h PRO 384 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h1c h PRO 384 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h1c h PRO 384 CO 0.59 0.08 0.00 2.48 -0.21 0.00 0.00 178.00 180.94 3h1c n TYR 385 N -3.38 0.31 0.13 0.65 4.11 -1.25 -2.76 117.16 114.97 3h1c n TYR 385 Ca -0.01 0.11 -0.02 0.00 -0.00 0.00 0.00 57.90 57.98 3h1c n TYR 385 Cb 0.25 -0.67 0.17 0.00 -0.00 0.00 0.00 39.34 39.09 3h1c n TYR 385 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 3h1c h SER 386 N 0.00 0.03 0.05 9.48 4.64 -1.68 -3.28 113.55 122.80 3h1c h SER 386 Ca 0.00 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.12 3h1c h SER 386 Cb 0.42 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 3h1c h SER 386 CO 0.00 0.63 -2.13 1.33 -0.87 0.00 0.00 176.83 175.79 3h1c n VAL 387 N -3.82 0.70 0.00 0.95 0.24 -1.20 -2.43 118.33 112.77 3h1c n VAL 387 Ca -0.01 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 3h1c n VAL 387 Cb 0.61 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 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 1.49 1.06 2.92 7.63 0.00 -1.18 -5.02 105.19 112.09 3h1c n GLY 388 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.04 0.59 -4.17 1.61 0.28 -1.11 -5.06 120.64 112.74 3h1c n GLU 389 Ca 0.00 -2.47 -0.32 0.00 -0.16 0.00 0.00 57.16 54.21 3h1c n GLU 389 Cb 0.00 2.35 -0.08 0.00 1.43 0.00 0.00 31.44 35.14 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 -2.79 4.43 0.17 3.84 -4.23 -1.26 -3.95 115.64 111.84 3h1c s THR 390 Ca 0.26 -0.57 -0.24 0.00 -1.18 0.00 0.00 61.69 59.96 3h1c s THR 390 Cb -0.01 -3.03 0.06 0.00 1.34 0.00 0.00 72.50 70.87 3h1c s THR 390 CO 0.19 0.32 0.89 -0.83 -0.54 0.00 0.00 174.62 174.64 3h1c s GLY 391 N -1.78 -0.24 -0.11 3.99 0.00 -1.26 -5.03 107.32 102.89 3h1c s GLY 391 Ca 0.23 0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.78 3h1c s GLY 391 CO 0.14 0.02 1.04 1.06 0.00 0.00 0.00 173.10 175.36 3h1c s MET 392 N -3.43 4.39 -0.93 2.90 -1.94 -1.26 -4.89 119.30 114.15 3h1c s MET 392 Ca 0.11 1.43 -0.01 0.00 -1.71 0.00 0.00 55.69 55.51 3h1c s MET 392 Cb -0.02 -3.56 0.28 0.00 2.01 0.00 0.00 34.83 33.54 3h1c s MET 392 CO 0.02 -0.37 1.14 0.28 -0.01 0.00 0.00 175.02 176.07 3h1c n VAL 393 N 4.65 4.08 0.00 -6.03 0.31 -1.26 -4.89 118.33 115.18 3h1c n VAL 393 Ca 0.09 -5.57 0.00 0.00 -0.01 0.00 0.00 64.34 58.86 3h1c n VAL 393 Cb 0.48 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 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 1.44 0.73 3.92 2.92 0.00 -1.26 -5.11 105.19 107.84 3h1c n GLY 394 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 3h1c n GLY 394 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h1c s SER 395 N 0.28 6.24 0.66 1.61 1.04 -1.26 -5.06 113.70 117.21 3h1c s SER 395 Ca 0.00 0.76 -0.17 0.00 0.48 0.00 0.00 55.95 57.03 3h1c s SER 395 Cb 0.00 -2.15 -0.00 0.00 0.10 0.00 0.00 66.02 63.97 3h1c s SER 395 CO 0.00 -0.52 1.20 -2.84 0.98 0.00 0.00 173.24 172.06 3h1c s PRO 396 N -4.62 2.61 0.16 4.02 0.02 -1.26 -5.04 135.00 130.89 3h1c s PRO 396 Ca 0.45 1.74 0.05 0.00 0.02 0.00 0.00 61.00 63.27 3h1c s PRO 396 Cb -0.10 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 3h1c s PRO 396 CO 0.42 -1.47 0.13 0.15 -0.33 0.00 0.00 177.00 175.89 3h1c s LYS 397 N -3.67 2.86 0.14 5.54 1.02 -1.26 -4.94 119.74 119.43 3h1c s LYS 397 Ca 0.75 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.80 3h1c s LYS 397 Cb -0.29 -2.63 0.23 0.00 -0.52 0.00 0.00 37.83 34.62 3h1c s LYS 397 CO 0.39 0.48 0.82 0.54 -0.92 0.00 0.00 175.35 176.66 3h1c n ARG 398 N -0.32 -0.06 0.28 1.68 1.74 -1.26 0.09 116.66 118.80 3h1c n ARG 398 Ca -0.08 0.82 -0.12 0.00 -0.77 0.00 0.00 57.85 57.69 3h1c n ARG 398 Cb 0.55 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 30.71 3h1c n ARG 398 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3h1c h ARG 399 N 0.00 -0.72 -0.73 5.56 2.43 -1.97 -1.81 114.38 117.14 3h1c h ARG 399 Ca 0.24 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.67 3h1c h ARG 399 Cb 0.37 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3h1c h ARG 399 CO -0.54 -0.45 1.11 1.49 -1.51 0.00 0.00 179.97 180.07 3h1c h GLU 400 N -1.16 0.00 0.08 0.20 4.81 -0.65 1.05 114.58 118.91 3h1c h GLU 400 Ca -0.08 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.79 3h1c h GLU 400 Cb 0.60 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 3h1c h GLU 400 CO 0.13 0.00 -2.04 -0.89 -0.73 0.00 0.00 179.01 175.48 3h1c n ILE 401 N -3.08 1.69 -0.01 2.32 5.41 -0.50 -4.38 119.36 120.81 3h1c n ILE 401 Ca 0.16 -0.56 -0.10 0.00 1.00 0.00 0.00 62.75 63.26 3h1c n ILE 401 Cb 1.33 -1.71 -0.04 0.00 -0.71 0.00 0.00 39.64 38.51 3h1c n ILE 401 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3h1c h GLY 402 N 0.96 0.10 -2.55 7.39 0.00 0.20 -3.34 103.07 105.83 3h1c h GLY 402 Ca -0.46 0.03 -0.48 0.00 0.00 0.00 0.00 47.33 46.43 3h1c h GLY 402 CO -0.00 -0.04 0.40 0.30 0.00 0.00 0.00 176.54 177.20 3h1c s HIS 403 N -6.20 3.18 0.00 5.60 3.76 -0.20 -3.15 115.29 118.29 3h1c s HIS 403 Ca -0.13 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 3h1c s HIS 403 Cb 0.09 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.67 3h1c s HIS 403 CO 0.68 -0.70 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 3h1c n GLY 404 N 0.16 3.03 0.17 -2.22 0.00 -1.26 -4.55 105.19 100.52 3h1c n GLY 404 Ca 0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 3h1c n GLY 404 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h1c h ARG 405 N 0.00 0.15 -0.37 1.61 9.65 -1.68 0.30 114.38 124.04 3h1c h ARG 405 Ca 0.00 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3h1c h ARG 405 Cb 0.00 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3h1c h ARG 405 CO 0.00 0.66 0.20 1.25 2.80 0.00 0.00 179.97 184.87 3h1c h LEU 406 N 0.11 0.47 -0.55 3.80 6.46 -1.82 -1.78 115.31 122.01 3h1c h LEU 406 Ca -0.00 -0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.61 3h1c h LEU 406 Cb 1.01 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 3h1c h LEU 406 CO 0.08 0.44 -0.24 0.00 -0.62 0.00 0.00 178.44 178.10 3h1c h ALA 407 N 1.05 0.91 -0.34 1.25 0.00 -1.79 -2.98 119.26 117.37 3h1c h ALA 407 Ca 0.13 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3h1c h ALA 407 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3h1c h ALA 407 CO -0.02 0.30 -0.05 -0.22 0.00 0.00 0.00 179.25 179.25 3h1c h LYS 408 N 0.00 0.63 0.00 0.00 3.64 -0.14 -3.02 116.57 117.68 3h1c h LYS 408 Ca -0.00 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.08 3h1c h LYS 408 Cb 0.98 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3h1c h LYS 408 CO 0.03 0.79 -0.31 0.00 -2.27 0.00 0.00 179.45 177.69 3h1c h ARG 409 N 0.42 0.00 0.00 1.90 3.08 -1.28 0.11 114.38 118.62 3h1c h ARG 409 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3h1c h ARG 409 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3h1c h ARG 409 CO 0.03 0.31 0.00 0.78 -1.07 0.00 0.00 179.97 180.02 3h1c h GLY 410 N 1.34 0.00 0.00 0.04 0.00 -1.44 -3.32 103.07 99.69 3h1c h GLY 410 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3h1c h GLY 410 CO 0.04 0.00 -1.70 -0.62 0.00 0.00 0.00 176.54 174.26 3h1c n VAL 411 N -3.07 0.59 -0.08 4.60 0.31 -1.03 -4.63 118.33 115.02 3h1c n VAL 411 Ca 0.02 -0.42 0.12 0.00 -0.01 0.00 0.00 64.34 64.06 3h1c n VAL 411 Cb 0.41 -0.52 0.51 0.00 -0.91 0.00 0.00 33.84 33.32 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 0.35 -1.28 7.52 5.85 -0.88 0.08 115.31 126.96 3h1c h LEU 412 Ca -0.23 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3h1c h LEU 412 Cb 1.44 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 3h1c h LEU 412 CO 0.01 0.21 -0.10 0.00 -0.34 0.00 0.00 178.44 178.22 3h1c h ALA 413 N 1.70 1.02 0.01 1.25 0.00 -1.82 -3.18 119.26 118.23 3h1c h ALA 413 Ca 0.27 -0.09 -0.34 0.00 0.00 0.00 0.00 54.91 54.75 3h1c h ALA 413 Cb 0.56 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3h1c h ALA 413 CO -0.07 0.13 -2.06 0.28 0.00 0.00 0.00 179.25 177.53 3h1c n VAL 414 N -3.24 1.52 -1.69 0.00 0.31 -0.10 -4.85 118.33 110.28 3h1c n VAL 414 Ca 0.00 -0.80 -0.44 0.00 -0.01 0.00 0.00 64.34 63.09 3h1c n VAL 414 Cb 0.37 -0.87 -0.04 0.00 -0.91 0.00 0.00 33.84 32.39 3h1c n VAL 414 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3h1c n MET 415 N -2.96 2.37 -1.46 5.55 2.00 -0.53 -3.16 117.12 118.92 3h1c n MET 415 Ca -0.26 0.85 -0.31 0.00 0.00 0.00 0.00 57.70 57.98 3h1c n MET 415 Cb 1.09 -2.64 0.07 0.00 0.00 0.00 0.00 33.22 31.74 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 0.79 2.62 0.00 0.03 0.04 -1.26 -4.99 135.00 132.23 3h1c s PRO 416 Ca 0.76 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.91 3h1c s PRO 416 Cb -0.61 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3h1c s PRO 416 CO 0.38 -1.36 0.00 -0.40 0.04 0.00 0.00 177.00 175.66 3h1c n ASP 417 N -3.19 0.00 0.22 6.66 5.75 -1.26 -4.81 116.55 119.91 3h1c n ASP 417 Ca 0.09 -0.91 0.05 0.00 -0.01 0.00 0.00 54.79 54.01 3h1c n ASP 417 Cb 0.53 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 41.10 3h1c n ASP 417 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 3h1c h MET 418 N 0.00 0.00 0.00 0.11 2.86 -1.98 0.10 114.93 116.03 3h1c h MET 418 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3h1c h MET 418 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3h1c h MET 418 CO 0.00 0.23 0.00 -0.25 1.06 0.00 0.00 176.91 177.95 3h1c n ASP 419 N -4.20 0.12 0.00 1.22 8.00 -1.26 -3.47 116.55 116.96 3h1c n ASP 419 Ca -0.02 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.01 3h1c n ASP 419 Cb 0.29 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 3h1c n ASP 419 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3h1c n LYS 420 N -1.63 0.00 -3.46 -1.24 4.81 -1.12 -5.00 118.16 110.52 3h1c n LYS 420 Ca 0.03 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.19 3h1c n LYS 420 Cb 0.19 -0.72 -0.12 0.00 0.02 0.00 0.00 35.03 34.40 3h1c n LYS 420 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3h1c s PHE 421 N -1.75 0.81 -1.30 5.64 5.36 0.34 -5.03 117.98 122.04 3h1c s PHE 421 Ca 0.00 -1.74 -0.09 0.00 -0.96 0.00 0.00 56.93 54.14 3h1c s PHE 421 Cb 0.00 -0.95 0.15 0.00 -0.34 0.00 0.00 43.02 41.88 3h1c s PHE 421 CO 0.00 -0.83 2.02 -0.35 -1.46 0.00 0.00 175.22 174.61 3h1c n PRO 422 N 3.87 3.80 -4.13 10.12 -0.04 -1.23 -4.13 135.00 143.26 3h1c n PRO 422 Ca 0.14 -3.45 -0.16 0.00 -0.04 0.00 0.00 63.50 60.00 3h1c n PRO 422 Cb 0.38 -2.87 -0.14 0.00 -0.04 0.00 0.00 33.50 30.83 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 0.20 0.43 -0.49 0.54 1.51 -1.26 -4.73 117.35 113.55 3h1c s TYR 423 Ca 0.44 -0.08 -0.29 0.00 -1.01 0.00 0.00 57.07 56.13 3h1c s TYR 423 Cb 0.12 -0.28 0.02 0.00 -0.11 0.00 0.00 41.96 41.70 3h1c s TYR 423 CO -0.02 -0.01 1.31 0.95 -1.11 0.00 0.00 175.55 176.67 3h1c s THR 424 N -0.07 3.97 -0.20 -0.71 -4.23 0.03 -4.90 115.64 109.53 3h1c s THR 424 Ca 0.01 0.94 -0.08 0.00 -1.18 0.00 0.00 61.69 61.38 3h1c s THR 424 Cb -0.02 -4.44 -0.04 0.00 1.34 0.00 0.00 72.50 69.33 3h1c s THR 424 CO -0.00 -1.01 0.09 -0.69 -0.54 0.00 0.00 174.62 172.47 3h1c s VAL 425 N 5.26 4.90 -0.16 2.29 1.01 -1.14 -1.95 120.40 130.60 3h1c s VAL 425 Ca 0.53 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 3h1c s VAL 425 Cb -0.10 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3h1c s VAL 425 CO 0.30 0.42 -0.07 -0.60 0.00 0.00 0.00 175.10 175.14 3h1c s ARG 426 N 0.66 3.48 -0.23 2.72 3.52 -0.12 -1.86 118.95 127.12 3h1c s ARG 426 Ca 0.05 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 3h1c s ARG 426 Cb -0.13 -2.83 0.03 0.00 -1.56 0.00 0.00 34.95 30.46 3h1c s ARG 426 CO 0.01 0.11 -0.13 0.08 -0.81 0.00 0.00 175.30 174.56 3h1c s VAL 427 N 0.68 2.40 -0.16 7.11 1.01 0.36 -0.18 120.40 131.61 3h1c s VAL 427 Ca -0.04 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 3h1c s VAL 427 Cb -0.15 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3h1c s VAL 427 CO 0.02 0.27 -0.09 -0.69 0.00 0.00 0.00 175.10 174.61 3h1c s VAL 428 N 1.26 3.21 -0.20 2.92 1.01 -0.54 -1.52 120.40 126.53 3h1c s VAL 428 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3h1c s VAL 428 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3h1c s VAL 428 CO -0.08 0.49 0.05 -0.55 0.00 0.00 0.00 175.10 175.01 3h1c s SER 429 N 0.75 5.36 -0.37 3.32 0.15 -0.54 -0.85 113.70 121.52 3h1c s SER 429 Ca -0.04 -0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 3h1c s SER 429 Cb -0.15 -1.93 0.09 0.00 -1.71 0.00 0.00 66.02 62.32 3h1c s SER 429 CO 0.02 0.11 0.13 -1.61 1.20 0.00 0.00 173.24 173.08 3h1c s GLU 430 N 0.77 2.12 -0.12 5.44 0.41 0.33 -2.47 118.70 125.18 3h1c s GLU 430 Ca 0.03 -1.63 -0.29 0.00 -0.41 0.00 0.00 54.97 52.67 3h1c s GLU 430 Cb -0.14 -3.43 -0.01 0.00 -1.78 0.00 0.00 34.13 28.78 3h1c s GLU 430 CO 0.02 -0.91 1.02 0.42 -0.49 0.00 0.00 175.26 175.33 3h1c s ILE 431 N 1.17 4.74 -0.04 -1.63 1.09 -1.18 0.45 121.20 125.80 3h1c s ILE 431 Ca 0.04 2.02 0.10 0.00 -1.10 0.00 0.00 60.65 61.71 3h1c s ILE 431 Cb -0.21 -4.30 -0.15 0.00 -1.06 0.00 0.00 42.46 36.74 3h1c s ILE 431 CO -0.03 -0.03 0.23 0.35 -0.10 0.00 0.00 174.94 175.36 3h1c n THR 432 N 4.68 0.00 -3.92 2.92 -2.24 -0.71 -4.44 114.28 110.57 3h1c n THR 432 Ca 0.09 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 3h1c n THR 432 Cb 0.48 0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.65 0.11 -0.22 -0.78 2.02 -1.19 -4.15 118.70 111.84 3h1c s GLU 433 Ca -0.03 -0.01 -0.04 0.00 0.02 0.00 0.00 54.97 54.90 3h1c s GLU 433 Cb 0.06 -0.15 0.08 0.00 0.10 0.00 0.00 34.13 34.23 3h1c s GLU 433 CO 0.41 -0.01 0.14 0.45 0.02 0.00 0.00 175.26 176.27 3h1c s SER 434 N 0.17 2.54 0.25 -0.19 0.15 -1.02 -2.10 113.70 113.51 3h1c s SER 434 Ca -0.01 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.85 3h1c s SER 434 Cb -0.03 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 3h1c s SER 434 CO -0.00 -0.38 0.00 -3.20 1.20 0.00 0.00 173.24 170.86 3h1c n ASN 435 N 5.28 -0.06 0.00 5.45 5.15 -1.22 -4.74 115.26 125.12 3h1c n ASN 435 Ca -0.06 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 3h1c n ASN 435 Cb 0.47 0.32 0.00 0.00 -0.53 0.00 0.00 39.78 40.03 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 1.69 -0.90 3.13 8.20 0.00 -1.26 -1.97 105.19 114.09 3h1c n GLY 436 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3h1c n GLY 436 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h1c s SER 437 N -2.57 -1.34 0.39 1.61 0.15 -1.26 -4.77 113.70 105.91 3h1c s SER 437 Ca 0.00 -0.27 0.21 0.00 0.70 0.00 0.00 55.95 56.59 3h1c s SER 437 Cb 0.00 1.76 0.61 0.00 -1.71 0.00 0.00 66.02 66.68 3h1c s SER 437 CO 0.00 -0.20 1.69 0.77 1.20 0.00 0.00 173.24 176.71 3h1c h SER 438 N 7.23 0.00 -0.08 5.45 4.64 -1.92 -1.81 113.55 127.07 3h1c h SER 438 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3h1c h SER 438 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3h1c h SER 438 CO 0.08 0.31 -0.71 0.28 -0.87 0.00 0.00 176.83 175.92 3h1c h SER 439 N 0.00 0.83 1.16 4.97 0.02 -1.99 -2.23 113.55 116.31 3h1c h SER 439 Ca -0.00 -0.52 -0.14 0.00 -0.84 0.00 0.00 61.79 60.28 3h1c h SER 439 Cb 0.97 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 3h1c h SER 439 CO 0.04 1.30 -0.69 0.24 -1.14 0.00 0.00 176.83 176.58 3h1c h MET 440 N 0.50 0.00 0.00 3.45 2.86 -1.85 -3.14 114.93 116.76 3h1c h MET 440 Ca -0.03 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 3h1c h MET 440 Cb 1.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 3h1c h MET 440 CO 0.14 0.69 -0.48 0.00 1.06 0.00 0.00 176.91 178.33 3h1c h ALA 441 N 1.31 0.99 -0.06 6.32 0.00 -1.32 -3.01 119.26 123.48 3h1c h ALA 441 Ca -0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 3h1c h ALA 441 Cb 1.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3h1c h ALA 441 CO 0.09 0.59 -0.51 0.77 0.00 0.00 0.00 179.25 180.20 3h1c h SER 442 N 0.00 0.17 -0.47 0.00 0.02 -1.35 -1.87 113.55 110.05 3h1c h SER 442 Ca -0.00 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 3h1c h SER 442 Cb 0.98 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 3h1c h SER 442 CO 0.06 0.65 -0.06 0.58 -1.14 0.00 0.00 176.83 176.93 3h1c h VAL 443 N 0.13 1.27 -0.53 2.27 2.07 -1.51 0.32 116.25 120.26 3h1c h VAL 443 Ca 0.00 -1.15 -0.11 0.00 0.82 0.00 0.00 66.70 66.27 3h1c h VAL 443 Cb 0.94 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3h1c h VAL 443 CO 0.07 0.40 -0.09 0.00 0.02 0.00 0.00 177.57 177.97 3h1c h GLY 445 N 0.96 0.00 1.05 0.00 0.00 -1.23 -3.24 103.07 100.61 3h1c h GLY 445 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 3h1c h GLY 445 CO 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 176.54 176.38 3h1c h ALA 446 N 1.51 0.60 -0.56 3.60 0.00 -0.83 -2.03 119.26 121.55 3h1c h ALA 446 Ca -0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3h1c h ALA 446 Cb 1.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3h1c h ALA 446 CO 0.06 0.57 0.02 1.03 0.00 0.00 0.00 179.25 180.94 3h1c h SER 447 N 0.72 0.91 0.39 0.00 0.87 -1.59 -2.07 113.55 112.79 3h1c h SER 447 Ca 0.10 -0.23 -0.15 0.00 -1.23 0.00 0.00 61.79 60.28 3h1c h SER 447 Cb 0.76 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3h1c h SER 447 CO 0.06 0.96 -0.62 -0.07 -0.53 0.00 0.00 176.83 176.63 3h1c h LEU 448 N 0.88 0.26 -0.47 2.23 3.38 -1.57 -2.45 115.31 117.58 3h1c h LEU 448 Ca 0.17 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 3h1c h LEU 448 Cb 0.48 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3h1c h LEU 448 CO 0.02 0.82 -0.60 0.00 0.09 0.00 0.00 178.44 178.77 3h1c h ALA 449 N 1.18 0.65 -0.07 1.53 0.00 -1.20 -2.32 119.26 119.04 3h1c h ALA 449 Ca -0.01 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.19 3h1c h ALA 449 Cb 1.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3h1c h ALA 449 CO 0.10 0.70 -0.71 -0.07 0.00 0.00 0.00 179.25 179.26 3h1c h LEU 450 N 0.41 0.40 -0.85 0.00 3.38 -1.34 -1.63 115.31 115.67 3h1c h LEU 450 Ca -0.00 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 3h1c h LEU 450 Cb 1.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3h1c h LEU 450 CO 0.11 0.98 -0.43 0.24 0.09 0.00 0.00 178.44 179.44 3h1c h MET 451 N 0.23 0.00 0.05 1.13 2.86 -1.45 -0.12 114.93 117.63 3h1c h MET 451 Ca -0.03 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.38 3h1c h MET 451 Cb 1.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 3h1c h MET 451 CO 0.12 0.43 -1.03 0.22 1.06 0.00 0.00 176.91 177.70 3h1c h ASP 452 N 0.00 0.38 0.31 1.22 3.58 -1.28 -3.31 116.42 117.33 3h1c h ASP 452 Ca -0.00 -0.35 -0.15 0.00 0.42 0.00 0.00 57.03 56.95 3h1c h ASP 452 Cb 0.96 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 3h1c h ASP 452 CO 0.06 1.19 -0.61 0.00 -2.88 0.00 0.00 179.24 177.00 3h1c h ALA 453 N 0.77 0.80 0.00 -0.78 0.00 -1.20 -3.43 119.26 115.42 3h1c h ALA 453 Ca -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3h1c h ALA 453 Cb 1.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3h1c h ALA 453 CO 0.17 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.55 3h1c n GLY 454 N 0.29 1.30 3.65 0.00 0.00 -0.92 -4.83 105.19 104.69 3h1c n GLY 454 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 4.23 -1.28 1.61 1.01 -0.10 -4.94 120.40 118.92 3h1c s VAL 455 Ca 0.00 1.46 -0.19 0.00 0.00 0.00 0.00 61.98 63.26 3h1c s VAL 455 Cb 0.00 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.37 3h1c s VAL 455 CO 0.00 -0.24 1.81 -0.81 0.00 0.00 0.00 175.10 175.86 3h1c n PRO 456 N 6.84 2.88 -2.08 2.72 -0.04 -1.26 -4.41 135.00 139.66 3h1c n PRO 456 Ca 0.14 -3.07 -0.33 0.00 -0.04 0.00 0.00 63.50 60.20 3h1c n PRO 456 Cb 0.45 -3.51 0.01 0.00 -0.04 0.00 0.00 33.50 30.41 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 5.29 3.88 0.06 0.52 -4.36 -1.26 -4.57 121.20 120.76 3h1c s ILE 457 Ca 0.56 0.89 -0.23 0.00 -0.26 0.00 0.00 60.65 61.60 3h1c s ILE 457 Cb 0.04 -3.41 -0.16 0.00 1.25 0.00 0.00 42.46 40.18 3h1c s ILE 457 CO 0.08 -0.52 1.61 0.11 0.24 0.00 0.00 174.94 176.46 3h1c h LYS 458 N 0.48 0.03 -3.50 0.37 1.57 -1.92 -3.47 116.57 110.13 3h1c h LYS 458 Ca -0.47 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 3h1c h LYS 458 Cb 1.22 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.42 3h1c h LYS 458 CO 0.58 0.15 -0.07 0.00 -0.57 0.00 0.00 179.45 179.55 3h1c s ALA 459 N -5.65 -0.57 0.29 3.86 0.00 -1.26 -5.15 121.76 113.28 3h1c s ALA 459 Ca -0.14 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 3h1c s ALA 459 Cb 0.05 0.92 -0.10 0.00 0.00 0.00 0.00 23.12 23.99 3h1c s ALA 459 CO 0.67 -0.81 1.24 0.00 0.00 0.00 0.00 175.76 176.86 3h1c s ALA 460 N -3.94 3.47 0.02 0.00 0.00 -1.26 -5.02 121.76 115.03 3h1c s ALA 460 Ca 0.15 1.12 0.08 0.00 0.00 0.00 0.00 51.96 53.30 3h1c s ALA 460 Cb -0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3h1c s ALA 460 CO 0.02 -0.47 -0.23 0.54 0.00 0.00 0.00 175.76 175.62 3h1c s VAL 461 N -0.88 1.87 0.33 0.00 0.11 -1.26 -4.29 120.40 116.27 3h1c s VAL 461 Ca 0.49 -1.15 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 3h1c s VAL 461 Cb -0.37 -1.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 3h1c s VAL 461 CO 0.46 0.39 0.37 0.00 -3.33 0.00 0.00 175.10 172.99 3h1c s ALA 462 N -0.68 1.31 -0.24 1.54 0.00 -0.71 -4.20 121.76 118.78 3h1c s ALA 462 Ca 0.09 -1.80 -0.30 0.00 0.00 0.00 0.00 51.96 49.95 3h1c s ALA 462 Cb -0.09 1.32 0.17 0.00 0.00 0.00 0.00 23.12 24.51 3h1c s ALA 462 CO 0.01 -0.72 1.23 0.20 0.00 0.00 0.00 175.76 176.48 3h1c s GLY 463 N -3.30 -0.06 0.05 0.00 0.00 -1.26 -0.93 107.32 101.81 3h1c s GLY 463 Ca 0.36 2.45 -0.07 0.00 0.00 0.00 0.00 44.72 47.45 3h1c s GLY 463 CO 0.24 1.02 0.15 -0.26 0.00 0.00 0.00 173.10 174.24 3h1c s ILE 464 N -1.21 0.13 0.12 0.90 -5.25 -0.74 -4.49 121.20 110.66 3h1c s ILE 464 Ca 0.06 -1.06 -0.05 0.00 -0.99 0.00 0.00 60.65 58.61 3h1c s ILE 464 Cb -0.01 -1.00 -0.05 0.00 2.95 0.00 0.00 42.46 44.35 3h1c s ILE 464 CO -0.05 -0.58 0.35 0.00 -1.79 0.00 0.00 174.94 172.87 3h1c s ALA 465 N -2.85 3.81 0.12 2.27 0.00 -1.26 -1.90 121.76 121.95 3h1c s ALA 465 Ca -0.03 -0.57 0.11 0.00 0.00 0.00 0.00 51.96 51.46 3h1c s ALA 465 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 3h1c s ALA 465 CO -0.06 0.68 -0.26 -1.64 0.00 0.00 0.00 175.76 174.48 3h1c s MET 466 N -2.51 1.40 0.35 0.00 1.00 0.17 -2.12 119.30 117.58 3h1c s MET 466 Ca 0.39 -1.32 0.05 0.00 0.00 0.00 0.00 55.69 54.81 3h1c s MET 466 Cb -0.12 -1.86 -0.07 0.00 0.00 0.00 0.00 34.83 32.78 3h1c s MET 466 CO 0.24 0.44 0.02 0.20 0.00 0.00 0.00 175.02 175.92 3h1c s GLY 467 N -1.99 2.18 -0.11 -0.03 0.00 -0.23 -0.19 107.32 106.96 3h1c s GLY 467 Ca 0.13 -2.12 -0.12 0.00 0.00 0.00 0.00 44.72 42.62 3h1c s GLY 467 CO 0.06 -1.91 0.32 -2.27 0.00 0.00 0.00 173.10 169.29 3h1c s LEU 468 N -3.55 0.78 -0.26 0.66 2.96 -1.26 -0.77 118.68 117.24 3h1c s LEU 468 Ca 0.35 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.84 3h1c s LEU 468 Cb 0.08 1.13 0.07 0.00 0.50 0.00 0.00 46.19 47.97 3h1c s LEU 468 CO 0.16 -0.16 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.27 3h1c s VAL 469 N -0.06 1.90 -0.09 1.68 1.01 -1.08 -1.69 120.40 122.06 3h1c s VAL 469 Ca -0.02 -1.55 0.03 0.00 0.00 0.00 0.00 61.98 60.44 3h1c s VAL 469 Cb -0.03 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3h1c s VAL 469 CO 0.01 -0.14 -0.18 -0.75 0.00 0.00 0.00 175.10 174.04 3h1c s LYS 470 N 1.21 2.46 -0.32 2.72 2.20 -1.26 -2.28 119.74 124.46 3h1c s LYS 470 Ca -0.05 -0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 54.88 3h1c s LYS 470 Cb -0.19 -1.95 0.11 0.00 -1.51 0.00 0.00 37.83 34.29 3h1c s LYS 470 CO -0.06 0.06 0.14 -1.21 -0.36 0.00 0.00 175.35 173.92 3h1c s GLU 471 N 0.62 0.57 3.82 4.03 0.41 -0.86 -5.04 118.70 122.25 3h1c s GLU 471 Ca -0.14 -1.04 0.00 0.00 -0.41 0.00 0.00 54.97 53.38 3h1c s GLU 471 Cb -0.16 -1.64 0.00 0.00 -1.78 0.00 0.00 34.13 30.55 3h1c s GLU 471 CO 0.04 -1.06 0.00 0.41 -0.49 0.00 0.00 175.26 174.17 3h1c n GLY 472 N 4.70 1.98 0.03 -1.39 0.00 -1.26 -3.44 105.19 105.82 3h1c n GLY 472 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 6.64 2.53 -4.73 1.61 5.75 -1.26 -5.00 116.55 122.10 3h1c n ASP 473 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 3h1c n ASP 473 Cb 0.00 1.04 -0.04 0.00 -1.03 0.00 0.00 41.12 41.09 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 -3.85 7.23 0.01 -1.12 0.02 -1.22 -5.05 114.94 110.96 3h1c s ASN 474 Ca -0.05 1.99 -0.00 0.00 -1.02 0.00 0.00 52.86 53.78 3h1c s ASN 474 Cb 0.05 -2.59 -0.01 0.00 0.02 0.00 0.00 41.25 38.72 3h1c s ASN 474 CO 0.43 -0.30 -0.01 -0.72 0.02 0.00 0.00 177.10 176.52 3h1c s TYR 475 N 0.38 0.13 -0.16 2.20 1.13 -1.26 -2.03 117.35 117.74 3h1c s TYR 475 Ca 0.53 -0.27 -0.01 0.00 -1.41 0.00 0.00 57.07 55.91 3h1c s TYR 475 Cb -0.28 -0.10 0.04 0.00 -1.10 0.00 0.00 41.96 40.53 3h1c s TYR 475 CO 0.32 -0.11 -0.04 0.08 -2.51 0.00 0.00 175.55 173.29 3h1c s VAL 476 N -0.78 1.01 -0.08 -3.49 1.01 -0.97 -4.99 120.40 112.11 3h1c s VAL 476 Ca -0.09 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 3h1c s VAL 476 Cb -0.05 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3h1c s VAL 476 CO -0.00 0.10 0.98 -0.69 0.00 0.00 0.00 175.10 175.49 3h1c s VAL 477 N 1.67 4.82 -0.10 2.92 1.01 -1.26 -2.63 120.40 126.82 3h1c s VAL 477 Ca 0.01 2.01 0.03 0.00 0.00 0.00 0.00 61.98 64.02 3h1c s VAL 477 Cb -0.15 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 3h1c s VAL 477 CO -0.07 0.05 -0.19 -0.76 0.00 0.00 0.00 175.10 174.12 3h1c s LEU 478 N 1.76 2.36 -0.14 3.92 1.43 0.05 -4.69 118.68 123.38 3h1c s LEU 478 Ca 0.48 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 3h1c s LEU 478 Cb -0.19 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 3h1c s LEU 478 CO 0.20 0.19 0.25 -0.44 0.23 0.00 0.00 176.35 176.78 3h1c s SER 479 N 0.16 6.44 -0.66 2.29 0.01 -0.86 -1.06 113.70 120.02 3h1c s SER 479 Ca -0.11 0.52 -0.12 0.00 1.31 0.00 0.00 55.95 57.55 3h1c s SER 479 Cb -0.16 -2.16 0.02 0.00 0.21 0.00 0.00 66.02 63.93 3h1c s SER 479 CO 0.06 0.20 0.64 -0.67 0.41 0.00 0.00 173.24 173.88 3h1c n ASP 480 N 3.03 -6.19 -4.79 2.44 2.03 -0.90 -4.68 116.55 107.49 3h1c n ASP 480 Ca -0.14 -0.33 -0.33 0.00 0.52 0.00 0.00 54.79 54.50 3h1c n ASP 480 Cb 0.53 -3.11 0.00 0.00 -0.72 0.00 0.00 41.12 37.82 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 -2.58 3.63 0.35 5.18 -4.36 -1.25 -4.80 121.20 117.36 3h1c s ILE 481 Ca 0.13 0.86 -0.06 0.00 -0.26 0.00 0.00 60.65 61.32 3h1c s ILE 481 Cb -0.02 -3.34 0.08 0.00 1.25 0.00 0.00 42.46 40.43 3h1c s ILE 481 CO 0.84 -0.37 0.47 0.18 0.24 0.00 0.00 174.94 176.30 3h1c n LEU 482 N -1.73 0.00 -0.12 0.37 4.32 -1.26 -4.29 117.00 114.29 3h1c n LEU 482 Ca 0.10 -0.53 -0.11 0.00 -0.02 0.00 0.00 56.01 55.44 3h1c n LEU 482 Cb 0.52 -0.36 -0.03 0.00 -1.62 0.00 0.00 43.42 41.94 3h1c n LEU 482 CO 0.45 -0.84 0.70 1.23 -1.22 0.00 0.00 177.39 177.72 3h1c h GLY 483 N -0.62 0.74 2.00 -0.72 0.00 -1.70 -2.88 103.07 99.90 3h1c h GLY 483 Ca -0.15 -0.62 -0.15 0.00 0.00 0.00 0.00 47.33 46.40 3h1c h GLY 483 CO 0.11 0.57 -0.72 -0.55 0.00 0.00 0.00 176.54 175.95 3h1c h ASP 484 N 0.47 0.00 1.11 0.19 3.32 -1.95 -3.10 116.42 116.47 3h1c h ASP 484 Ca 0.09 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3h1c h ASP 484 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3h1c h ASP 484 CO 0.04 0.72 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.69 3h1c h GLU 485 N 0.00 0.00 0.22 3.56 5.08 -1.92 -1.41 114.58 120.11 3h1c h GLU 485 Ca -0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 3h1c h GLU 485 Cb 1.28 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.55 3h1c h GLU 485 CO 0.09 0.26 -1.49 0.22 -1.00 0.00 0.00 179.01 177.09 3h1c h ASP 486 N 0.00 0.71 -0.01 1.42 3.58 -1.49 -2.67 116.42 117.96 3h1c h ASP 486 Ca -0.00 -0.82 -0.25 0.00 0.42 0.00 0.00 57.03 56.38 3h1c h ASP 486 Cb 0.89 -0.23 0.02 0.00 1.72 0.00 0.00 39.33 41.72 3h1c h ASP 486 CO 0.03 1.65 -0.97 0.45 -2.88 0.00 0.00 179.24 177.52 3h1c h HIS 487 N 0.12 1.00 -0.16 0.28 3.86 -1.51 -3.31 115.15 115.44 3h1c h HIS 487 Ca -0.25 -0.54 0.00 0.00 -1.16 0.00 0.00 60.37 58.42 3h1c h HIS 487 Cb 2.12 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 30.47 3h1c h HIS 487 CO 0.11 1.37 0.00 1.28 0.86 0.00 0.00 177.93 181.55 3h1c n LEU 488 N -3.91 2.50 0.00 2.43 4.77 -0.54 -4.88 117.00 117.38 3h1c n LEU 488 Ca -0.11 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3h1c n LEU 488 Cb 0.85 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3h1c n LEU 488 CO 0.55 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 3h1c n GLY 489 N 1.31 1.01 0.00 -0.72 0.00 -1.01 -4.84 105.19 100.94 3h1c n GLY 489 Ca 0.17 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 1.01 -3.95 1.61 8.00 -0.68 -4.97 116.55 117.57 3h1c n ASP 490 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 3h1c n ASP 490 Cb 0.00 0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.23 0.68 -0.41 -1.24 0.23 -1.26 -0.28 119.30 115.80 3h1c s MET 491 Ca 0.00 -0.96 0.04 0.00 -1.03 0.00 0.00 55.69 53.73 3h1c s MET 491 Cb 0.00 0.26 0.11 0.00 -1.53 0.00 0.00 34.83 33.67 3h1c s MET 491 CO 0.00 -0.18 0.13 0.34 -2.03 0.00 0.00 175.02 173.29 3h1c s ASP 492 N -2.61 4.66 -0.73 -1.18 2.15 0.11 -4.19 116.67 114.87 3h1c s ASP 492 Ca 0.02 -2.45 -0.12 0.00 0.43 0.00 0.00 52.55 50.43 3h1c s ASP 492 Cb 0.04 -1.65 0.19 0.00 -0.30 0.00 0.00 42.92 41.20 3h1c s ASP 492 CO -0.08 -0.34 0.65 0.12 -0.17 0.00 0.00 175.17 175.34 3h1c s PHE 493 N 0.50 3.61 -0.17 -5.34 5.36 0.73 -2.15 117.98 120.53 3h1c s PHE 493 Ca 0.13 -2.03 -0.19 0.00 -0.96 0.00 0.00 56.93 53.88 3h1c s PHE 493 Cb -0.21 -3.68 -0.03 0.00 -0.34 0.00 0.00 43.02 38.75 3h1c s PHE 493 CO -0.05 -0.97 0.52 0.15 -1.46 0.00 0.00 175.22 173.41 3h1c s LYS 494 N 0.38 4.25 -0.10 10.12 1.02 0.34 0.42 119.74 136.17 3h1c s LYS 494 Ca 0.15 0.46 0.02 0.00 0.02 0.00 0.00 55.97 56.62 3h1c s LYS 494 Cb -0.16 -3.52 0.01 0.00 -0.52 0.00 0.00 37.83 33.65 3h1c s LYS 494 CO -0.06 -0.05 -0.15 0.08 -0.92 0.00 0.00 175.35 174.24 3h1c s VAL 495 N 1.32 1.48 -0.06 3.17 1.01 -0.80 -0.66 120.40 125.86 3h1c s VAL 495 Ca 0.26 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3h1c s VAL 495 Cb -0.15 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3h1c s VAL 495 CO 0.10 0.44 -0.07 0.00 0.00 0.00 0.00 175.10 175.57 3h1c s ALA 496 N 0.87 0.92 0.05 5.51 0.00 0.46 -1.79 121.76 127.78 3h1c s ALA 496 Ca -0.09 -0.22 -0.19 0.00 0.00 0.00 0.00 51.96 51.46 3h1c s ALA 496 Cb -0.15 -0.53 0.06 0.00 0.00 0.00 0.00 23.12 22.50 3h1c s ALA 496 CO 0.00 -0.03 0.86 0.41 0.00 0.00 0.00 175.76 177.01 3h1c n GLY 497 N 4.09 0.53 0.00 0.00 0.00 -0.11 0.03 105.19 109.74 3h1c n GLY 497 Ca -0.22 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3h1c n GLY 497 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h1c n SER 498 N -0.96 0.06 0.08 1.61 3.41 0.10 -1.74 113.62 116.19 3h1c n SER 498 Ca 0.01 -0.52 -0.04 0.00 -0.26 0.00 0.00 58.87 58.06 3h1c n SER 498 Cb 0.43 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.54 3h1c n SER 498 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3h1c h ARG 499 N 0.00 0.27 0.03 4.33 2.43 -1.95 -3.33 114.38 116.16 3h1c h ARG 499 Ca 0.00 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 3h1c h ARG 499 Cb 0.00 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3h1c h ARG 499 CO 0.00 0.72 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.55 3h1c h ASP 500 N 0.21 0.12 -1.29 -3.80 3.32 -1.95 -3.50 116.42 109.53 3h1c h ASP 500 Ca 0.01 -0.97 0.00 0.00 0.02 0.00 0.00 57.03 56.09 3h1c h ASP 500 Cb 0.98 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3h1c h ASP 500 CO 0.08 1.07 0.00 0.61 -1.72 0.00 0.00 179.24 179.28 3h1c n GLY 501 N 1.56 2.60 3.71 2.75 0.00 -1.25 -4.81 105.19 109.75 3h1c n GLY 501 Ca -0.11 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 3h1c n GLY 501 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1c s ILE 502 N -2.70 5.23 -0.18 -0.61 1.01 0.77 -0.72 121.20 124.00 3h1c s ILE 502 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 3h1c s ILE 502 Cb 0.00 -3.37 -0.22 0.00 0.01 0.00 0.00 42.46 38.88 3h1c s ILE 502 CO 0.00 0.46 0.11 -1.54 0.00 0.00 0.00 174.94 173.98 3h1c n SER 503 N 3.38 2.06 -3.86 3.58 3.41 0.37 -2.31 113.62 120.26 3h1c n SER 503 Ca -0.17 0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.40 3h1c n SER 503 Cb 0.52 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.54 -0.28 -0.05 7.33 0.00 0.10 -0.13 121.76 126.19 3h1c s ALA 504 Ca -0.28 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.75 3h1c s ALA 504 Cb 0.08 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.17 3h1c s ALA 504 CO 0.70 -0.12 0.09 -1.17 0.00 0.00 0.00 175.76 175.25 3h1c s LEU 505 N -0.60 0.12 -0.06 0.00 2.96 -1.20 -0.41 118.68 119.49 3h1c s LEU 505 Ca -0.07 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3h1c s LEU 505 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 46.19 46.63 3h1c s LEU 505 CO 0.01 -0.24 -0.21 -1.58 -1.32 0.00 0.00 176.35 173.00 3h1c s GLN 506 N 2.15 2.58 -0.12 1.98 0.74 0.16 -2.09 119.66 125.07 3h1c s GLN 506 Ca 0.04 -0.83 -0.00 0.00 0.05 0.00 0.00 55.36 54.61 3h1c s GLN 506 Cb -0.12 -2.25 0.02 0.00 1.10 0.00 0.00 33.01 31.76 3h1c s GLN 506 CO -0.04 0.44 -0.08 1.41 -0.55 0.00 0.00 175.29 176.47 3h1c s MET 507 N -0.29 1.59 -0.29 1.67 -2.45 0.31 -0.50 119.30 119.34 3h1c s MET 507 Ca 0.01 -0.28 -0.01 0.00 -1.25 0.00 0.00 55.69 54.16 3h1c s MET 507 Cb -0.13 -1.63 0.09 0.00 1.25 0.00 0.00 34.83 34.42 3h1c s MET 507 CO 0.03 -0.26 0.08 -0.51 1.05 0.00 0.00 175.02 175.41 3h1c s ASP 508 N 1.67 3.90 -0.16 1.11 1.01 -0.91 -1.57 116.67 121.71 3h1c s ASP 508 Ca 0.05 -1.52 -0.05 0.00 0.71 0.00 0.00 52.55 51.73 3h1c s ASP 508 Cb -0.13 -0.87 -0.03 0.00 1.01 0.00 0.00 42.92 42.90 3h1c s ASP 508 CO -0.08 -0.39 0.01 -0.63 0.21 0.00 0.00 175.17 174.29 3h1c s ILE 509 N 1.62 4.32 -1.00 0.77 1.01 -0.82 0.05 121.20 127.14 3h1c s ILE 509 Ca 0.08 -0.21 0.25 0.00 0.00 0.00 0.00 60.65 60.77 3h1c s ILE 509 Cb -0.17 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.39 3h1c s ILE 509 CO -0.22 0.49 1.42 2.29 0.00 0.00 0.00 174.94 178.92 3h1c n LYS 510 N 3.42 0.00 -4.46 2.79 -0.00 0.61 -4.85 118.16 115.69 3h1c n LYS 510 Ca -0.17 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.90 3h1c n LYS 510 Cb 0.52 -1.50 -0.10 0.00 -0.00 0.00 0.00 35.03 33.95 3h1c n LYS 510 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 3h1c s ILE 511 N -3.00 2.42 -0.13 0.58 -4.36 -1.25 -4.79 121.20 110.68 3h1c s ILE 511 Ca 0.11 -2.34 -0.04 0.00 -0.26 0.00 0.00 60.65 58.12 3h1c s ILE 511 Cb 0.17 -2.26 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 3h1c s ILE 511 CO 0.70 -0.37 0.00 -1.83 0.24 0.00 0.00 174.94 173.69 3h1c s GLU 512 N -3.39 3.46 0.00 0.37 -1.05 -1.26 -4.69 118.70 112.15 3h1c s GLU 512 Ca 0.28 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.67 3h1c s GLU 512 Cb -0.05 -2.94 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 3h1c s GLU 512 CO 0.14 0.44 0.00 0.41 0.95 0.00 0.00 175.26 177.20 3h1c n GLY 513 N 2.95 1.48 3.77 -3.83 0.00 -1.26 -5.04 105.19 103.25 3h1c n GLY 513 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.48 3.16 0.17 -0.61 1.10 -1.26 -5.04 121.20 117.23 3h1c s ILE 514 Ca 0.00 1.12 0.04 0.00 -0.51 0.00 0.00 60.65 61.30 3h1c s ILE 514 Cb 0.00 -3.69 -0.04 0.00 0.15 0.00 0.00 42.46 38.88 3h1c s ILE 514 CO 0.00 0.23 0.19 -0.89 -2.11 0.00 0.00 174.94 172.36 3h1c s THR 515 N -1.22 4.74 0.27 4.00 2.01 -1.26 -4.65 115.64 119.53 3h1c s THR 515 Ca 0.49 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 3h1c s THR 515 Cb -0.34 -3.44 0.10 0.00 0.01 0.00 0.00 72.50 68.83 3h1c s THR 515 CO 0.44 -0.12 1.75 0.50 -0.69 0.00 0.00 174.62 176.50 3h1c h LYS 516 N 2.25 0.68 0.00 4.92 3.64 -2.01 -3.05 116.57 123.01 3h1c h LYS 516 Ca -0.48 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 58.58 3h1c h LYS 516 Cb 1.20 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3h1c h LYS 516 CO 0.65 0.76 -0.56 1.05 -2.27 0.00 0.00 179.45 179.07 3h1c h GLU 517 N 0.63 0.00 0.00 1.90 4.11 -2.01 -3.19 114.58 116.02 3h1c h GLU 517 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 3h1c h GLU 517 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3h1c h GLU 517 CO 0.03 0.56 -0.46 0.44 0.07 0.00 0.00 179.01 179.65 3h1c n ILE 518 N -3.51 0.13 0.05 -1.06 -5.35 -1.19 -3.30 119.36 105.14 3h1c n ILE 518 Ca 0.00 -0.10 -0.15 0.00 -0.27 0.00 0.00 62.75 62.23 3h1c n ILE 518 Cb 0.65 0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 38.41 3h1c n ILE 518 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 3h1c h MET 519 N 0.00 0.20 0.00 6.28 2.86 -1.53 -3.17 114.93 119.57 3h1c h MET 519 Ca 0.00 -0.34 -0.16 0.00 -2.06 0.00 0.00 59.70 57.15 3h1c h MET 519 Cb 0.59 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 3h1c h MET 519 CO 0.00 1.03 -0.74 -0.56 1.06 0.00 0.00 176.91 177.70 3h1c h GLN 520 N 0.05 0.00 -0.31 1.72 3.07 -1.64 -2.03 115.11 115.98 3h1c h GLN 520 Ca -0.23 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.35 3h1c h GLN 520 Cb 1.99 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.55 3h1c h GLN 520 CO 0.15 0.74 -0.43 0.28 0.09 0.00 0.00 178.83 179.65 3h1c h VAL 521 N 0.00 1.28 0.00 1.86 2.07 -1.69 0.66 116.25 120.43 3h1c h VAL 521 Ca -0.01 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 65.85 3h1c h VAL 521 Cb 1.35 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3h1c h VAL 521 CO 0.10 0.53 -0.23 0.00 0.02 0.00 0.00 177.57 177.99 3h1c h ALA 522 N 0.71 1.29 0.00 1.67 0.00 -1.51 0.92 119.26 122.33 3h1c h ALA 522 Ca 0.03 -0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 3h1c h ALA 522 Cb 1.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3h1c h ALA 522 CO 0.10 0.28 -1.31 1.25 0.00 0.00 0.00 179.25 179.57 3h1c h LEU 523 N 0.00 0.01 0.15 0.00 5.85 -1.19 -3.09 115.31 117.04 3h1c h LEU 523 Ca -0.00 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.42 3h1c h LEU 523 Cb 0.52 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.56 3h1c h LEU 523 CO 0.03 1.01 -1.30 -1.13 -0.34 0.00 0.00 178.44 176.70 3h1c h ASN 524 N 0.00 0.57 0.77 1.25 -1.24 -0.56 -3.15 115.58 113.22 3h1c h ASN 524 Ca -0.13 -0.60 -0.09 0.00 0.71 0.00 0.00 56.30 56.18 3h1c h ASN 524 Cb 1.88 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.73 3h1c h ASN 524 CO 0.11 1.47 -0.45 -0.61 -1.29 0.00 0.00 177.43 176.65 3h1c h GLN 525 N 0.11 0.00 0.00 6.67 4.15 -0.96 -2.88 115.11 122.20 3h1c h GLN 525 Ca -0.17 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.14 3h1c h GLN 525 Cb 2.02 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.69 3h1c h GLN 525 CO 0.23 0.45 -0.52 0.00 -1.93 0.00 0.00 178.83 177.05 3h1c h ALA 526 N 1.55 0.99 -0.55 3.38 0.00 -1.61 -3.11 119.26 119.91 3h1c h ALA 526 Ca -0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3h1c h ALA 526 Cb 0.95 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3h1c h ALA 526 CO 0.06 0.65 0.08 -0.22 0.00 0.00 0.00 179.25 179.82 3h1c h LYS 527 N 0.00 0.92 -0.64 0.00 3.64 -1.46 -0.81 116.57 118.22 3h1c h LYS 527 Ca -0.01 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.04 3h1c h LYS 527 Cb 1.02 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 3h1c h LYS 527 CO 0.07 0.89 0.08 0.78 -2.27 0.00 0.00 179.45 179.00 3h1c h GLY 528 N 0.81 1.16 2.00 5.01 0.00 -1.56 -2.28 103.07 108.20 3h1c h GLY 528 Ca 0.17 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 3h1c h GLY 528 CO 0.01 0.73 -0.54 0.00 0.00 0.00 0.00 176.54 176.75 3h1c h ALA 529 N 1.03 0.95 -0.23 3.60 0.00 -1.47 -2.88 119.26 120.26 3h1c h ALA 529 Ca 0.19 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 3h1c h ALA 529 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h1c h ALA 529 CO 0.02 0.67 -0.47 -0.09 0.00 0.00 0.00 179.25 179.37 3h1c h ARG 530 N 0.00 0.59 0.00 0.00 2.43 -0.93 -3.06 114.38 113.41 3h1c h ARG 530 Ca -0.01 -0.34 -0.10 0.00 -0.81 0.00 0.00 59.98 58.73 3h1c h ARG 530 Cb 1.05 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3h1c h ARG 530 CO 0.07 0.94 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.92 3h1c h LEU 531 N 0.47 0.00 -0.52 3.80 3.38 -1.35 -2.84 115.31 118.26 3h1c h LEU 531 Ca 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3h1c h LEU 531 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3h1c h LEU 531 CO 0.09 0.48 -0.26 -0.74 0.09 0.00 0.00 178.44 178.10 3h1c h HIS 532 N 0.00 1.07 -0.23 1.13 2.76 -1.41 -2.02 115.15 116.45 3h1c h HIS 532 Ca -0.00 -0.27 -0.13 0.00 -2.20 0.00 0.00 60.37 57.76 3h1c h HIS 532 Cb 0.99 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.70 3h1c h HIS 532 CO 0.00 1.08 -0.38 0.82 -1.30 0.00 0.00 177.93 178.15 3h1c h ILE 533 N 0.79 1.32 -0.16 6.26 2.04 -1.52 -3.15 117.51 123.08 3h1c h ILE 533 Ca 0.09 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 3h1c h ILE 533 Cb 0.83 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3h1c h ILE 533 CO 0.07 0.50 -0.05 -0.07 0.00 0.00 0.00 178.15 178.60 3h1c h LEU 534 N 0.37 0.22 -0.88 1.44 3.38 -1.47 0.74 115.31 119.10 3h1c h LEU 534 Ca 0.02 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3h1c h LEU 534 Cb 0.98 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3h1c h LEU 534 CO 0.09 0.31 -0.02 1.23 0.09 0.00 0.00 178.44 180.13 3h1c h GLY 535 N 0.58 0.86 1.82 0.83 0.00 -1.36 0.90 103.07 106.71 3h1c h GLY 535 Ca 0.05 -0.59 -0.21 0.00 0.00 0.00 0.00 47.33 46.58 3h1c h GLY 535 CO 0.01 0.55 -0.97 -2.08 0.00 0.00 0.00 176.54 174.04 3h1c h VAL 536 N 0.74 1.55 -0.30 4.60 2.07 -1.37 -2.98 116.25 120.57 3h1c h VAL 536 Ca 0.14 -2.91 -0.12 0.00 0.82 0.00 0.00 66.70 64.64 3h1c h VAL 536 Cb 0.48 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 3h1c h VAL 536 CO 0.02 0.84 -0.30 0.24 0.02 0.00 0.00 177.57 178.40 3h1c h MET 537 N 0.07 0.62 0.00 1.57 2.07 -0.60 -2.87 114.93 115.79 3h1c h MET 537 Ca -0.05 -0.27 -0.03 0.00 -2.07 0.00 0.00 59.70 57.29 3h1c h MET 537 Cb 1.66 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 31.36 3h1c h MET 537 CO 0.15 0.84 -0.12 0.93 1.07 0.00 0.00 176.91 179.78 3h1c h GLU 538 N 0.53 0.00 -0.35 1.72 5.08 -0.87 -3.06 114.58 117.63 3h1c h GLU 538 Ca 0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3h1c h GLU 538 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3h1c h GLU 538 CO 0.06 0.12 -0.18 0.37 -1.00 0.00 0.00 179.01 178.38 3h1c h GLN 539 N 0.00 0.66 0.00 2.33 4.15 -1.34 -3.36 115.11 117.55 3h1c h GLN 539 Ca -0.00 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.18 3h1c h GLN 539 Cb 0.81 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.46 3h1c h GLN 539 CO 0.02 0.80 0.00 0.00 -1.93 0.00 0.00 178.83 177.72 3h1c n ALA 540 N -2.49 -0.01 -3.10 3.38 0.00 -1.21 -5.00 120.51 112.08 3h1c n ALA 540 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 3h1c n ALA 540 Cb 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 3h1c n ALA 540 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3h1c s ILE 541 N -0.53 -0.01 0.00 0.00 -5.25 -1.16 -5.04 121.20 109.22 3h1c s ILE 541 Ca 0.00 0.03 0.00 0.00 -0.99 0.00 0.00 60.65 59.69 3h1c s ILE 541 Cb 0.00 -0.16 0.00 0.00 2.95 0.00 0.00 42.46 45.25 3h1c s ILE 541 CO 0.00 0.01 0.23 -0.46 -1.79 0.00 0.00 174.94 172.93 3h1c n ASN 542 N 3.22 0.46 -3.94 4.36 6.94 -1.26 -4.40 115.26 120.63 3h1c n ASN 542 Ca -0.15 -0.78 -0.19 0.00 -0.02 0.00 0.00 54.58 53.45 3h1c n ASN 542 Cb 0.58 0.24 -0.16 0.00 -2.36 0.00 0.00 39.78 38.08 3h1c n ASN 542 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h1c s ALA 543 N -0.24 0.68 -2.00 -2.53 0.00 -1.26 -4.85 121.76 111.57 3h1c s ALA 543 Ca 0.00 -0.18 0.21 0.00 0.00 0.00 0.00 51.96 51.99 3h1c s ALA 543 Cb 0.00 -0.32 1.24 0.00 0.00 0.00 0.00 23.12 24.05 3h1c s ALA 543 CO 0.00 0.07 1.62 -0.35 0.00 0.00 0.00 175.76 177.11