#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 0.50 0.48 1.96 0.01 -1.26 -5.14 114.94 111.49 3h1c s ASN 3 Ca 0.00 -0.05 -0.19 0.00 -0.71 0.00 0.00 52.86 51.91 3h1c s ASN 3 Cb 0.00 -0.26 -0.09 0.00 0.41 0.00 0.00 41.25 41.31 3h1c s ASN 3 CO 0.00 -0.09 0.99 -2.16 -1.51 0.00 0.00 177.10 174.33 3h1c s PRO 4 N 0.96 3.97 -0.19 -0.60 0.04 -1.26 -4.65 135.00 133.27 3h1c s PRO 4 Ca -0.10 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.07 3h1c s PRO 4 Cb -0.14 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.30 3h1c s PRO 4 CO -0.01 -0.26 -0.18 0.42 0.04 0.00 0.00 177.00 177.01 3h1c s ILE 5 N -2.31 2.03 0.04 0.56 1.01 -0.94 -5.04 121.20 116.54 3h1c s ILE 5 Ca 0.62 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 60.30 3h1c s ILE 5 Cb -0.11 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 3h1c s ILE 5 CO 0.22 0.44 -0.15 0.54 0.00 0.00 0.00 174.94 175.99 3h1c s VAL 6 N 1.28 1.22 -0.02 2.92 0.11 -1.26 -1.91 120.40 122.73 3h1c s VAL 6 Ca 0.03 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 3h1c s VAL 6 Cb -0.14 -1.09 0.02 0.00 -1.53 0.00 0.00 36.38 33.64 3h1c s VAL 6 CO -0.12 0.06 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.57 3h1c s ARG 7 N -1.09 0.44 -0.09 1.54 0.52 -0.22 -5.01 118.95 115.04 3h1c s ARG 7 Ca 0.03 -0.04 0.01 0.00 -0.52 0.00 0.00 55.73 55.22 3h1c s ARG 7 Cb -0.08 -0.52 0.02 0.00 0.52 0.00 0.00 34.95 34.89 3h1c s ARG 7 CO 0.01 -0.05 -0.10 0.21 0.02 0.00 0.00 175.30 175.38 3h1c s LYS 8 N 0.66 1.64 0.10 3.54 2.20 -1.26 -0.49 119.74 126.12 3h1c s LYS 8 Ca -0.07 -0.35 -0.05 0.00 -0.36 0.00 0.00 55.97 55.14 3h1c s LYS 8 Cb -0.10 -1.49 -0.02 0.00 -1.51 0.00 0.00 37.83 34.70 3h1c s LYS 8 CO -0.01 -0.10 0.12 -0.59 -0.36 0.00 0.00 175.35 174.41 3h1c s PHE 9 N 1.10 0.46 0.03 4.03 -0.71 -0.80 -5.03 117.98 117.06 3h1c s PHE 9 Ca -0.06 -0.90 -0.16 0.00 -1.04 0.00 0.00 56.93 54.77 3h1c s PHE 9 Cb -0.14 -0.24 -0.06 0.00 -1.21 0.00 0.00 43.02 41.36 3h1c s PHE 9 CO -0.01 -0.52 0.47 -0.65 -1.34 0.00 0.00 175.22 173.16 3h1c s GLN 10 N -3.94 4.01 -0.28 1.99 -1.52 -1.26 -0.99 119.66 117.67 3h1c s GLN 10 Ca 0.12 0.52 -0.01 0.00 -1.95 0.00 0.00 55.36 54.04 3h1c s GLN 10 Cb 0.06 -3.21 0.13 0.00 -0.22 0.00 0.00 33.01 29.77 3h1c s GLN 10 CO -0.06 0.66 0.28 -0.47 -0.25 0.00 0.00 175.29 175.45 3h1c s TYR 11 N -1.12 -0.39 0.00 0.91 5.04 -0.08 -4.91 117.35 116.80 3h1c s TYR 11 Ca 0.26 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 3h1c s TYR 11 Cb -0.17 -0.48 0.00 0.00 0.35 0.00 0.00 41.96 41.65 3h1c s TYR 11 CO 0.16 -0.89 0.00 0.41 -1.34 0.00 0.00 175.55 173.89 3h1c n GLY 12 N 5.31 1.64 0.01 8.97 0.00 -1.26 -2.34 105.19 117.52 3h1c n GLY 12 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 1.07 -4.40 1.61 1.13 -1.26 -5.05 117.38 110.48 3h1c n GLN 13 Ca 0.00 -1.03 -0.24 0.00 -1.94 0.00 0.00 57.00 53.79 3h1c n GLN 13 Cb 0.00 -1.01 -0.11 0.00 0.11 0.00 0.00 30.24 29.23 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 -0.52 2.09 -0.25 1.08 3.76 -0.99 -5.11 115.29 115.35 3h1c s HIS 14 Ca 0.00 -0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 54.42 3h1c s HIS 14 Cb 0.00 -1.00 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 3h1c s HIS 14 CO 0.00 0.48 0.11 0.99 -0.85 0.00 0.00 174.74 175.47 3h1c s THR 15 N -2.07 4.71 -0.22 1.30 2.01 -1.26 -0.90 115.64 119.21 3h1c s THR 15 Ca 0.21 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 3h1c s THR 15 Cb -0.06 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 3h1c s THR 15 CO 0.10 0.33 0.19 -0.69 -0.69 0.00 0.00 174.62 173.85 3h1c s VAL 16 N 1.50 5.35 -0.12 3.82 1.01 -0.16 -3.29 120.40 128.51 3h1c s VAL 16 Ca 0.06 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3h1c s VAL 16 Cb -0.15 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3h1c s VAL 16 CO 0.06 0.36 -0.14 -0.89 0.00 0.00 0.00 175.10 174.49 3h1c s THR 17 N 0.86 2.96 -0.08 3.92 2.01 -0.35 -1.91 115.64 123.05 3h1c s THR 17 Ca 0.10 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.43 3h1c s THR 17 Cb -0.13 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3h1c s THR 17 CO 0.03 0.53 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.56 3h1c s LEU 18 N 0.26 2.52 -0.03 4.42 1.43 0.35 -1.85 118.68 125.78 3h1c s LEU 18 Ca -0.10 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3h1c s LEU 18 Cb -0.16 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3h1c s LEU 18 CO 0.06 0.25 0.07 -0.70 0.23 0.00 0.00 176.35 176.25 3h1c s GLU 19 N -0.16 0.03 0.08 1.70 2.12 -0.82 -1.06 118.70 120.59 3h1c s GLU 19 Ca -0.02 0.20 -0.13 0.00 0.36 0.00 0.00 54.97 55.38 3h1c s GLU 19 Cb -0.14 -0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.14 3h1c s GLU 19 CO 0.04 -0.11 0.30 -0.08 -0.54 0.00 0.00 175.26 174.86 3h1c s THR 20 N 0.75 0.09 0.00 -1.70 -1.32 -0.80 0.14 115.64 112.80 3h1c s THR 20 Ca -0.06 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 3h1c s THR 20 Cb -0.08 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 3h1c s THR 20 CO -0.03 -0.43 0.00 0.61 -2.21 0.00 0.00 174.62 172.56 3h1c n GLY 21 N 0.19 0.73 0.25 6.08 0.00 -1.26 -2.21 105.19 108.97 3h1c n GLY 21 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.48 0.36 -3.31 1.61 0.00 -1.26 -4.77 117.12 108.27 3h1c n MET 22 Ca 0.00 0.14 -0.36 0.00 0.00 0.00 0.00 57.70 57.48 3h1c n MET 22 Cb 0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 33.22 32.05 3h1c n MET 22 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 3h1c s MET 23 N -2.44 4.06 -1.15 2.12 -1.94 -1.26 -4.40 119.30 114.29 3h1c s MET 23 Ca -0.20 0.59 -0.22 0.00 -1.71 0.00 0.00 55.69 54.16 3h1c s MET 23 Cb 0.03 -2.99 -0.00 0.00 2.01 0.00 0.00 34.83 33.88 3h1c s MET 23 CO 0.29 0.50 0.78 0.00 -0.01 0.00 0.00 175.02 176.58 3h1c n ALA 24 N 0.98 -2.55 0.22 3.03 0.00 -1.26 -4.75 120.51 116.18 3h1c n ALA 24 Ca -0.06 -0.27 0.11 0.00 0.00 0.00 0.00 53.44 53.22 3h1c n ALA 24 Cb 0.51 -3.97 0.34 0.00 0.00 0.00 0.00 19.45 16.34 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 -1.96 0.00 0.00 0.00 3.08 -1.91 -3.17 114.38 110.42 3h1c h ARG 25 Ca -0.67 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.29 3h1c h ARG 25 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 3h1c h ARG 25 CO 0.49 0.16 -0.44 0.37 -1.07 0.00 0.00 179.97 179.48 3h1c h GLN 26 N 0.00 0.00 -7.37 0.04 4.15 -1.96 -3.44 115.11 106.52 3h1c h GLN 26 Ca -0.00 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.91 3h1c h GLN 26 Cb 0.89 0.00 0.06 0.00 0.21 0.00 0.00 27.48 28.64 3h1c h GLN 26 CO 0.02 0.44 0.41 0.00 -1.93 0.00 0.00 178.83 177.77 3h1c s ALA 27 N -3.34 3.07 0.33 3.38 0.00 -1.20 -4.99 121.76 119.00 3h1c s ALA 27 Ca 0.01 -0.15 0.10 0.00 0.00 0.00 0.00 51.96 51.93 3h1c s ALA 27 Cb 0.10 -3.06 0.56 0.00 0.00 0.00 0.00 23.12 20.72 3h1c s ALA 27 CO 0.71 -0.77 1.75 1.79 0.00 0.00 0.00 175.76 179.24 3h1c h THR 28 N -0.37 1.31 -2.96 0.00 1.35 -1.85 -3.45 112.91 106.95 3h1c h THR 28 Ca -0.44 -1.51 -0.14 0.00 -0.55 0.00 0.00 66.41 63.77 3h1c h THR 28 Cb 1.20 1.77 -0.24 0.00 -1.73 0.00 0.00 68.15 69.14 3h1c h THR 28 CO 0.62 0.44 -0.33 0.00 -0.25 0.00 0.00 175.52 176.00 3h1c s ALA 29 N -4.07 -0.80 -0.28 6.62 0.00 -0.74 -4.49 121.76 118.00 3h1c s ALA 29 Ca -0.03 0.86 -0.05 0.00 0.00 0.00 0.00 51.96 52.74 3h1c s ALA 29 Cb 0.14 -0.48 0.15 0.00 0.00 0.00 0.00 23.12 22.93 3h1c s ALA 29 CO 0.75 -0.16 0.56 0.00 0.00 0.00 0.00 175.76 176.91 3h1c s ALA 30 N 0.04 -1.90 -0.12 0.00 0.00 -1.26 -1.44 121.76 117.08 3h1c s ALA 30 Ca -0.01 1.82 0.01 0.00 0.00 0.00 0.00 51.96 53.78 3h1c s ALA 30 Cb -0.03 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.23 3h1c s ALA 30 CO 0.01 -1.14 -0.14 0.08 0.00 0.00 0.00 175.76 174.57 3h1c s VAL 31 N 2.80 1.45 -0.63 0.00 1.01 -0.79 -4.40 120.40 119.84 3h1c s VAL 31 Ca 0.09 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 3h1c s VAL 31 Cb -0.14 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 34.96 3h1c s VAL 31 CO -0.19 0.43 0.93 -0.32 0.00 0.00 0.00 175.10 175.96 3h1c s MET 32 N 1.18 3.15 -0.19 2.72 1.75 0.12 -3.01 119.30 125.03 3h1c s MET 32 Ca -0.03 -0.75 -0.05 0.00 -1.25 0.00 0.00 55.69 53.61 3h1c s MET 32 Cb -0.14 -4.19 -0.03 0.00 2.84 0.00 0.00 34.83 33.31 3h1c s MET 32 CO -0.04 -1.71 0.01 0.08 -0.65 0.00 0.00 175.02 172.70 3h1c s VAL 33 N 3.92 4.16 0.05 10.11 1.01 -1.21 -1.94 120.40 136.50 3h1c s VAL 33 Ca 0.23 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3h1c s VAL 33 Cb -0.16 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3h1c s VAL 33 CO 0.12 0.44 -0.15 -0.94 0.00 0.00 0.00 175.10 174.57 3h1c s SER 34 N 0.74 1.80 -0.32 3.32 1.04 -0.77 -1.15 113.70 118.36 3h1c s SER 34 Ca 0.01 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 3h1c s SER 34 Cb -0.14 -0.10 0.12 0.00 0.10 0.00 0.00 66.02 66.00 3h1c s SER 34 CO 0.02 0.01 0.19 -0.32 0.98 0.00 0.00 173.24 174.12 3h1c s MET 35 N -1.37 0.39 -0.58 4.02 1.75 -0.00 -1.21 119.30 122.30 3h1c s MET 35 Ca 0.01 -0.92 -0.15 0.00 -1.25 0.00 0.00 55.69 53.38 3h1c s MET 35 Cb -0.09 -1.19 0.02 0.00 2.84 0.00 0.00 34.83 36.42 3h1c s MET 35 CO 0.02 -1.12 0.64 -0.25 -0.65 0.00 0.00 175.02 173.66 3h1c n ASP 36 N 4.61 -6.85 0.00 1.11 9.92 -1.21 -3.09 116.55 121.04 3h1c n ASP 36 Ca 0.04 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 3h1c n ASP 36 Cb 0.40 -3.91 0.00 0.00 -0.64 0.00 0.00 41.12 36.97 3h1c n ASP 36 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3h1c n ASP 37 N -1.02 -2.00 -4.18 -2.24 8.00 -1.26 -4.58 116.55 109.26 3h1c n ASP 37 Ca -0.03 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.09 3h1c n ASP 37 Cb 0.56 -2.34 -0.10 0.00 -0.02 0.00 0.00 41.12 39.22 3h1c n ASP 37 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h1c s THR 38 N -1.45 3.76 -0.13 -3.53 2.01 -1.18 -3.29 115.64 111.83 3h1c s THR 38 Ca 0.00 -1.83 -0.00 0.00 0.31 0.00 0.00 61.69 60.17 3h1c s THR 38 Cb 0.00 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 3h1c s THR 38 CO 0.00 -0.67 -0.12 0.00 -0.69 0.00 0.00 174.62 173.14 3h1c s ALA 39 N 1.27 2.67 -0.15 7.40 0.00 0.53 -0.82 121.76 132.66 3h1c s ALA 39 Ca 0.06 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3h1c s ALA 39 Cb -0.24 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.65 3h1c s ALA 39 CO -0.02 0.25 -0.15 0.08 0.00 0.00 0.00 175.76 175.92 3h1c s VAL 40 N 0.32 1.66 -0.30 0.00 1.01 -0.30 -1.32 120.40 121.47 3h1c s VAL 40 Ca -0.10 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 3h1c s VAL 40 Cb -0.16 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3h1c s VAL 40 CO 0.05 0.47 0.79 0.12 0.00 0.00 0.00 175.10 176.54 3h1c s PHE 41 N 1.40 3.21 -0.11 5.22 5.36 0.73 -3.31 117.98 130.48 3h1c s PHE 41 Ca 0.04 0.84 0.03 0.00 -0.96 0.00 0.00 56.93 56.88 3h1c s PHE 41 Cb -0.13 -3.20 -0.00 0.00 -0.34 0.00 0.00 43.02 39.34 3h1c s PHE 41 CO -0.10 -0.55 -0.21 0.08 -1.46 0.00 0.00 175.22 172.97 3h1c s VAL 42 N 2.95 2.27 -0.01 3.12 1.01 -1.16 -0.84 120.40 127.73 3h1c s VAL 42 Ca 0.33 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.42 3h1c s VAL 42 Cb -0.14 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3h1c s VAL 42 CO 0.12 0.55 -0.18 0.42 0.00 0.00 0.00 175.10 176.01 3h1c s THR 43 N 0.40 1.42 -0.12 3.92 -4.23 -0.58 -1.89 115.64 114.56 3h1c s THR 43 Ca -0.16 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.61 3h1c s THR 43 Cb -0.17 -1.18 0.01 0.00 1.34 0.00 0.00 72.50 72.49 3h1c s THR 43 CO 0.07 0.40 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.65 3h1c s VAL 44 N -0.43 1.92 -0.20 2.29 1.01 -0.52 -1.13 120.40 123.34 3h1c s VAL 44 Ca 0.07 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3h1c s VAL 44 Cb -0.07 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.63 3h1c s VAL 44 CO -0.01 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 174.80 3h1c s VAL 45 N 0.67 2.58 -0.21 2.92 1.01 -0.91 -1.79 120.40 124.68 3h1c s VAL 45 Ca -0.11 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3h1c s VAL 45 Cb -0.16 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3h1c s VAL 45 CO 0.02 0.46 -0.04 -0.83 0.00 0.00 0.00 175.10 174.71 3h1c s GLY 46 N 1.35 1.63 0.27 4.51 0.00 -1.26 -2.43 107.32 111.40 3h1c s GLY 46 Ca 0.05 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 43.38 3h1c s GLY 46 CO -0.09 0.33 1.12 1.62 0.00 0.00 0.00 173.10 176.08 3h1c s GLN 47 N 1.26 4.61 0.15 2.90 0.74 -1.11 -4.95 119.66 123.25 3h1c s GLN 47 Ca 0.03 1.84 -0.13 0.00 0.05 0.00 0.00 55.36 57.16 3h1c s GLN 47 Cb -0.14 -3.19 0.01 0.00 1.10 0.00 0.00 33.01 30.79 3h1c s GLN 47 CO -0.01 0.15 1.59 0.87 -0.55 0.00 0.00 175.29 177.35 3h1c h LYS 48 N 3.94 0.85 -6.26 1.67 1.57 -1.99 -3.45 116.57 112.90 3h1c h LYS 48 Ca -0.47 -0.28 -0.59 0.00 -1.87 0.00 0.00 60.65 57.45 3h1c h LYS 48 Cb 1.21 -0.07 -0.23 0.00 0.08 0.00 0.00 32.23 33.21 3h1c h LYS 48 CO 0.68 0.90 -0.84 -1.59 -0.57 0.00 0.00 179.45 178.03 3h1c s LYS 49 N -4.99 1.29 0.21 3.15 -2.85 -1.26 -5.10 119.74 110.18 3h1c s LYS 49 Ca -0.12 -1.11 0.01 0.00 -1.00 0.00 0.00 55.97 53.74 3h1c s LYS 49 Cb 0.11 -1.53 -0.04 0.00 -2.06 0.00 0.00 37.83 34.32 3h1c s LYS 49 CO 0.82 0.37 0.38 0.00 0.10 0.00 0.00 175.35 177.02 3h1c s ALA 50 N -1.01 3.85 0.29 0.59 0.00 -1.26 -4.84 121.76 119.39 3h1c s ALA 50 Ca 0.08 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 3h1c s ALA 50 Cb -0.10 -1.94 -0.10 0.00 0.00 0.00 0.00 23.12 20.99 3h1c s ALA 50 CO 0.03 0.40 1.28 0.15 0.00 0.00 0.00 175.76 177.62 3h1c s LYS 51 N -3.46 4.40 0.49 0.00 -0.14 -1.26 -4.94 119.74 114.84 3h1c s LYS 51 Ca 0.37 2.12 0.18 0.00 -1.36 0.00 0.00 55.97 57.28 3h1c s LYS 51 Cb -0.11 -3.12 1.21 0.00 -1.68 0.00 0.00 37.83 34.14 3h1c s LYS 51 CO 0.29 -0.15 2.07 -1.00 -0.76 0.00 0.00 175.35 175.81 3h1c h PRO 52 N 3.96 0.00 -2.02 -1.68 0.13 -2.03 -3.16 132.00 127.21 3h1c h PRO 52 Ca -0.48 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.92 3h1c h PRO 52 Cb 1.22 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.04 3h1c h PRO 52 CO 0.69 0.10 0.59 0.41 -0.23 0.00 0.00 178.00 179.57 3h1c n GLY 53 N -1.17 5.78 3.01 1.56 0.00 -1.26 -4.97 105.19 108.14 3h1c n GLY 53 Ca -0.03 -2.59 -0.22 0.00 0.00 0.00 0.00 46.02 43.18 3h1c n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h1c s GLN 54 N -4.00 1.31 -0.03 1.61 -1.52 -1.20 -5.02 119.66 110.82 3h1c s GLN 54 Ca 0.48 -0.35 0.02 0.00 -1.95 0.00 0.00 55.36 53.55 3h1c s GLN 54 Cb 0.35 -1.15 -0.03 0.00 -0.22 0.00 0.00 33.01 31.96 3h1c s GLN 54 CO -0.28 0.07 -0.00 -0.40 -0.25 0.00 0.00 175.29 174.43 3h1c n ASP 55 N 3.59 4.21 -4.88 5.90 5.75 -1.26 -5.03 116.55 124.82 3h1c n ASP 55 Ca -0.21 -0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.24 3h1c n ASP 55 Cb 0.53 0.38 -0.05 0.00 -1.03 0.00 0.00 41.12 40.95 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 -2.06 3.46 -0.34 2.11 -0.12 -1.26 -5.00 117.98 114.77 3h1c s PHE 56 Ca -0.02 0.78 -0.25 0.00 -0.05 0.00 0.00 56.93 57.39 3h1c s PHE 56 Cb 0.01 -2.18 0.01 0.00 -0.63 0.00 0.00 43.02 40.23 3h1c s PHE 56 CO 0.09 0.34 0.85 0.12 -0.05 0.00 0.00 175.22 176.58 3h1c s PHE 57 N -1.73 3.15 -0.35 3.49 5.36 -1.26 -4.92 117.98 121.71 3h1c s PHE 57 Ca 0.44 0.79 -0.21 0.00 -0.96 0.00 0.00 56.93 56.98 3h1c s PHE 57 Cb -0.12 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.15 3h1c s PHE 57 CO 0.22 -0.69 0.69 -1.25 -1.46 0.00 0.00 175.22 172.73 3h1c s PRO 58 N 3.19 3.72 -0.26 10.12 0.04 -1.26 -5.03 135.00 145.52 3h1c s PRO 58 Ca 0.35 0.17 0.02 0.00 0.04 0.00 0.00 61.00 61.58 3h1c s PRO 58 Cb -0.13 -3.80 0.07 0.00 0.04 0.00 0.00 34.50 30.67 3h1c s PRO 58 CO 0.15 -0.77 -0.04 -1.17 0.04 0.00 0.00 177.00 175.21 3h1c s LEU 59 N 2.85 3.14 -0.27 -3.56 2.96 -1.26 -3.38 118.68 119.15 3h1c s LEU 59 Ca 0.27 -1.42 -0.05 0.00 -0.22 0.00 0.00 54.13 52.70 3h1c s LEU 59 Cb -0.14 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.23 3h1c s LEU 59 CO 0.15 -0.26 0.03 0.28 -1.32 0.00 0.00 176.35 175.24 3h1c s THR 60 N 1.25 3.67 -0.22 3.68 -1.32 -1.20 -5.07 115.64 116.43 3h1c s THR 60 Ca -0.03 -0.72 -0.03 0.00 -1.21 0.00 0.00 61.69 59.70 3h1c s THR 60 Cb -0.19 -2.85 -0.01 0.00 -1.51 0.00 0.00 72.50 67.94 3h1c s THR 60 CO -0.07 0.16 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.75 3h1c s VAL 61 N 1.46 3.27 -0.28 5.08 1.01 -1.26 -2.12 120.40 127.56 3h1c s VAL 61 Ca 0.03 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 3h1c s VAL 61 Cb -0.17 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.75 3h1c s VAL 61 CO 0.00 0.42 0.02 0.20 0.00 0.00 0.00 175.10 175.75 3h1c s ASN 62 N 1.46 4.83 -0.28 3.32 0.01 -0.28 -4.92 114.94 119.08 3h1c s ASN 62 Ca 0.06 -0.89 -0.07 0.00 -0.71 0.00 0.00 52.86 51.25 3h1c s ASN 62 Cb -0.14 -1.78 -0.00 0.00 0.41 0.00 0.00 41.25 39.74 3h1c s ASN 62 CO -0.04 -0.19 0.08 -0.47 -1.51 0.00 0.00 177.10 174.97 3h1c s TYR 63 N 1.39 3.12 -0.04 2.20 5.04 -1.26 -0.79 117.35 127.02 3h1c s TYR 63 Ca 0.00 -0.82 0.03 0.00 -2.44 0.00 0.00 57.07 53.85 3h1c s TYR 63 Cb -0.18 -2.25 0.00 0.00 0.35 0.00 0.00 41.96 39.89 3h1c s TYR 63 CO -0.00 -0.52 -0.14 1.14 -1.34 0.00 0.00 175.55 174.69 3h1c s GLN 64 N 1.53 1.54 -0.27 4.97 -2.07 -0.67 -4.72 119.66 119.98 3h1c s GLN 64 Ca 0.04 -0.48 -0.10 0.00 -1.82 0.00 0.00 55.36 53.01 3h1c s GLN 64 Cb -0.17 -1.34 -0.04 0.00 -1.09 0.00 0.00 33.01 30.38 3h1c s GLN 64 CO 0.03 0.15 0.14 -1.21 -1.32 0.00 0.00 175.29 173.08 3h1c s GLU 65 N 0.24 3.84 0.21 9.60 2.02 -1.26 -1.42 118.70 131.93 3h1c s GLU 65 Ca -0.06 -0.38 -0.25 0.00 0.02 0.00 0.00 54.97 54.29 3h1c s GLU 65 Cb -0.12 -3.53 -0.08 0.00 0.10 0.00 0.00 34.13 30.49 3h1c s GLU 65 CO 0.02 -0.18 0.82 1.03 0.02 0.00 0.00 175.26 176.97 3h1c s ARG 66 N 1.71 4.58 0.31 1.61 1.81 -1.11 -4.96 118.95 122.90 3h1c s ARG 66 Ca 0.07 1.20 0.16 0.00 -1.72 0.00 0.00 55.73 55.44 3h1c s ARG 66 Cb -0.16 -3.14 0.32 0.00 -0.45 0.00 0.00 34.95 31.53 3h1c s ARG 66 CO 0.08 0.49 1.56 1.79 -0.68 0.00 0.00 175.30 178.55 3h1c h THR 67 N 3.09 0.90 0.00 0.02 1.35 -1.88 -3.12 112.91 113.27 3h1c h THR 67 Ca -0.47 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 3h1c h THR 67 Cb 1.20 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 3h1c h THR 67 CO 0.66 0.46 0.00 0.00 -0.25 0.00 0.00 175.52 176.39 3h1c n TYR 68 N -3.35 0.00 0.08 4.73 4.11 -1.25 -2.66 117.16 118.82 3h1c n TYR 68 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.91 3h1c n TYR 68 Cb 0.65 -0.41 0.30 0.00 -0.00 0.00 0.00 39.34 39.87 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 2.79 1.30 0.00 -3.48 0.00 -1.72 -2.75 119.26 115.40 3h1c h ALA 69 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3h1c h ALA 69 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3h1c h ALA 69 CO 0.00 0.47 -1.16 0.00 0.00 0.00 0.00 179.25 178.56 3h1c n ALA 70 N -2.48 3.69 -1.52 0.00 0.00 -1.16 -2.76 120.51 116.27 3h1c n ALA 70 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3h1c n ALA 70 Cb 0.35 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3h1c n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1c n GLY 71 N 1.39 0.60 2.94 0.00 0.00 -1.04 -5.08 105.19 104.01 3h1c n GLY 71 Ca 0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 3h1c n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1c s ARG 72 N -2.84 0.18 -0.10 1.61 0.52 -1.09 -5.02 118.95 112.22 3h1c s ARG 72 Ca 0.00 -0.35 -0.24 0.00 -0.52 0.00 0.00 55.73 54.62 3h1c s ARG 72 Cb 0.00 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.51 3h1c s ARG 72 CO 0.00 -0.03 0.73 0.42 0.02 0.00 0.00 175.30 176.44 3h1c s ILE 73 N -0.85 5.00 0.35 1.52 1.01 -1.26 -3.93 121.20 123.03 3h1c s ILE 73 Ca -0.09 1.48 -0.27 0.00 0.00 0.00 0.00 60.65 61.76 3h1c s ILE 73 Cb -0.06 -4.06 -0.12 0.00 0.01 0.00 0.00 42.46 38.23 3h1c s ILE 73 CO -0.01 0.18 1.14 -0.81 0.00 0.00 0.00 174.94 175.45 3h1c n PRO 74 N 4.26 1.70 -0.11 2.79 -0.04 -1.26 -4.91 135.00 137.44 3h1c n PRO 74 Ca 0.00 0.60 0.07 0.00 -0.04 0.00 0.00 63.50 64.13 3h1c n PRO 74 Cb 0.51 -2.12 0.23 0.00 -0.04 0.00 0.00 33.50 32.08 3h1c n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h1c n GLY 75 N 1.00 0.17 3.83 0.55 0.00 -1.26 -4.61 105.19 104.87 3h1c n GLY 75 Ca 0.07 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 3h1c n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h1c s SER 76 N -1.21 4.24 0.18 1.61 1.04 -1.26 -4.96 113.70 113.35 3h1c s SER 76 Ca 0.23 1.04 -0.07 0.00 0.48 0.00 0.00 55.95 57.63 3h1c s SER 76 Cb 0.12 -1.67 0.08 0.00 0.10 0.00 0.00 66.02 64.65 3h1c s SER 76 CO 0.17 -2.10 1.57 0.15 0.98 0.00 0.00 173.24 174.01 3h1c h PHE 77 N -1.18 1.00 0.00 5.02 3.57 -1.96 -2.74 116.94 120.66 3h1c h PHE 77 Ca -0.48 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 60.76 3h1c h PHE 77 Cb 1.30 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 3h1c h PHE 77 CO 0.37 1.03 -0.05 0.74 -2.23 0.00 0.00 178.31 178.18 3h1c h PHE 78 N 0.74 0.00 -5.91 0.41 -1.00 -1.95 -3.47 116.94 105.75 3h1c h PHE 78 Ca 0.09 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.49 3h1c h PHE 78 Cb 0.82 0.00 0.10 0.00 3.61 0.00 0.00 35.95 40.49 3h1c h PHE 78 CO 0.05 0.05 -0.82 0.54 -1.61 0.00 0.00 178.31 176.51 3h1c n ARG 79 N -3.13 -4.84 -3.75 1.51 1.74 -1.03 -5.03 116.66 102.12 3h1c n ARG 79 Ca 0.02 0.70 -0.13 0.00 -0.77 0.00 0.00 57.85 57.67 3h1c n ARG 79 Cb 0.43 -5.36 -0.09 0.00 -1.02 0.00 0.00 32.46 26.41 3h1c n ARG 79 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3h1c s ARG 80 N -5.64 0.61 -0.51 5.56 3.52 -1.26 -4.76 118.95 116.48 3h1c s ARG 80 Ca 0.08 -0.01 -0.27 0.00 -0.13 0.00 0.00 55.73 55.41 3h1c s ARG 80 Cb -0.02 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.61 3h1c s ARG 80 CO 0.78 -0.15 2.01 -1.83 -0.81 0.00 0.00 175.30 175.30 3h1c s GLU 81 N -0.93 2.65 0.00 5.12 4.04 -1.26 -4.89 118.70 123.43 3h1c s GLU 81 Ca -0.10 1.04 0.00 0.00 0.04 0.00 0.00 54.97 55.95 3h1c s GLU 81 Cb -0.04 -4.40 0.00 0.00 0.02 0.00 0.00 34.13 29.70 3h1c s GLU 81 CO 0.03 -2.68 0.00 0.41 -1.84 0.00 0.00 175.26 171.18 3h1c n GLY 82 N 5.73 0.90 3.75 -3.83 0.00 -1.26 -5.00 105.19 105.48 3h1c n GLY 82 Ca 0.26 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 3h1c n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1c s ARG 83 N 0.00 4.48 0.02 1.61 0.52 -1.26 -4.91 118.95 119.41 3h1c s ARG 83 Ca 0.00 1.99 -0.39 0.00 -0.52 0.00 0.00 55.73 56.81 3h1c s ARG 83 Cb 0.00 -3.16 -0.20 0.00 0.52 0.00 0.00 34.95 32.11 3h1c s ARG 83 CO 0.00 -0.05 1.04 -0.35 0.02 0.00 0.00 175.30 175.96 3h1c n PRO 84 N 1.60 0.08 -0.68 3.54 -0.04 -1.26 -4.98 135.00 133.26 3h1c n PRO 84 Ca 0.02 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.40 3h1c n PRO 84 Cb 0.43 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.47 3h1c n PRO 84 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3h1c n SER 85 N 1.60 -0.04 -0.10 3.54 3.41 -1.26 -4.81 113.62 115.95 3h1c n SER 85 Ca 0.20 -1.15 -0.02 0.00 -0.26 0.00 0.00 58.87 57.64 3h1c n SER 85 Cb 0.10 -0.37 0.23 0.00 -0.26 0.00 0.00 64.21 63.91 3h1c n SER 85 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3h1c h GLU 86 N 0.00 0.77 -0.02 4.33 4.81 -2.01 -2.72 114.58 119.74 3h1c h GLU 86 Ca -0.16 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 3h1c h GLU 86 Cb 0.44 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.70 3h1c h GLU 86 CO 0.11 0.67 -0.30 0.78 -0.73 0.00 0.00 179.01 179.54 3h1c h GLY 87 N 0.92 0.26 1.95 1.92 0.00 -2.01 -3.30 103.07 102.81 3h1c h GLY 87 Ca 0.17 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3h1c h GLY 87 CO -0.01 0.38 0.01 0.83 0.00 0.00 0.00 176.54 177.75 3h1c h GLU 88 N -0.37 0.06 0.00 4.80 5.08 -1.89 -1.83 114.58 120.43 3h1c h GLU 88 Ca -0.03 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 3h1c h GLU 88 Cb 1.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3h1c h GLU 88 CO 0.06 0.06 -0.65 1.15 -1.00 0.00 0.00 179.01 178.63 3h1c h THR 89 N 0.06 1.36 -0.21 1.13 2.02 -1.60 -3.20 112.91 112.47 3h1c h THR 89 Ca 0.02 -2.32 -0.08 0.00 0.77 0.00 0.00 66.41 64.79 3h1c h THR 89 Cb 0.03 2.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3h1c h THR 89 CO -0.00 0.64 -0.19 -0.07 0.37 0.00 0.00 175.52 176.27 3h1c h LEU 90 N 0.00 0.52 -1.08 2.58 3.38 -1.41 -2.83 115.31 116.48 3h1c h LEU 90 Ca -0.01 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 3h1c h LEU 90 Cb 1.24 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3h1c h LEU 90 CO 0.08 0.88 -0.13 0.40 0.09 0.00 0.00 178.44 179.76 3h1c h ILE 91 N 0.17 1.23 -0.42 1.22 5.03 -1.65 -2.27 117.51 120.82 3h1c h ILE 91 Ca 0.04 -1.03 0.02 0.00 -0.12 0.00 0.00 64.86 63.76 3h1c h ILE 91 Cb 0.72 1.16 -0.02 0.00 -3.03 0.00 0.00 36.82 35.66 3h1c h ILE 91 CO 0.05 0.34 0.28 0.00 -0.68 0.00 0.00 178.15 178.13 3h1c h ALA 92 N 1.41 1.79 -0.07 1.87 0.00 -1.53 -1.78 119.26 120.95 3h1c h ALA 92 Ca 0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3h1c h ALA 92 Cb 0.51 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h1c h ALA 92 CO 0.03 0.16 -0.78 0.00 0.00 0.00 0.00 179.25 178.66 3h1c h ARG 93 N 0.49 0.46 0.00 0.00 3.08 -1.17 -2.28 114.38 114.96 3h1c h ARG 93 Ca 0.17 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3h1c h ARG 93 Cb 0.07 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3h1c h ARG 93 CO -0.04 1.04 0.00 -0.07 -1.07 0.00 0.00 179.97 179.83 3h1c h LEU 94 N 0.31 0.00 0.07 3.04 4.07 -0.89 -1.30 115.31 120.61 3h1c h LEU 94 Ca -0.04 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.54 3h1c h LEU 94 Cb 1.38 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.08 3h1c h LEU 94 CO 0.14 0.00 -2.21 -0.38 -1.08 0.00 0.00 178.44 174.91 3h1c n ILE 95 N -2.32 1.65 -0.05 1.22 5.41 -0.89 -4.55 119.36 119.84 3h1c n ILE 95 Ca 0.01 -0.61 -0.14 0.00 1.00 0.00 0.00 62.75 63.01 3h1c n ILE 95 Cb 0.19 -1.60 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 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 0.02 0.90 0.00 4.38 3.58 -1.16 -3.32 116.42 120.82 3h1c h ASP 96 Ca -0.49 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 56.45 3h1c h ASP 96 Cb 1.97 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.76 3h1c h ASP 96 CO 0.00 1.29 -0.00 0.03 -2.88 0.00 0.00 179.24 177.69 3h1c h ARG 97 N 0.59 -0.01 0.00 0.28 3.08 -1.48 -2.76 114.38 114.09 3h1c h ARG 97 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3h1c h ARG 97 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3h1c h ARG 97 CO 0.13 -0.00 -0.45 -1.00 -1.07 0.00 0.00 179.97 177.58 3h1c h PRO 98 N -0.01 0.00 0.00 0.04 0.13 -1.80 -3.32 132.00 127.04 3h1c h PRO 98 Ca -0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 3h1c h PRO 98 Cb 0.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 3h1c h PRO 98 CO 0.00 0.45 -0.86 -0.84 -0.23 0.00 0.00 178.00 176.52 3h1c h ILE 99 N 0.00 0.51 -0.32 -3.56 3.07 -1.65 -3.39 117.51 112.17 3h1c h ILE 99 Ca -0.00 -1.82 -0.01 0.00 1.55 0.00 0.00 64.86 64.57 3h1c h ILE 99 Cb 1.11 2.09 -0.01 0.00 -0.27 0.00 0.00 36.82 39.74 3h1c h ILE 99 CO 0.06 0.29 0.15 -0.09 -1.05 0.00 0.00 178.15 177.50 3h1c h ARG 100 N 0.00 0.47 0.00 0.16 2.43 -1.59 -2.85 114.38 113.00 3h1c h ARG 100 Ca -0.06 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3h1c h ARG 100 Cb 1.36 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3h1c h ARG 100 CO 0.04 0.45 0.00 -0.35 -1.51 0.00 0.00 179.97 178.60 3h1c n PRO 101 N -4.75 0.18 0.22 0.20 -0.04 -1.26 -3.12 135.00 126.42 3h1c n PRO 101 Ca -0.01 0.34 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 3h1c n PRO 101 Cb 0.12 -1.80 0.39 0.00 -0.04 0.00 0.00 33.50 32.17 3h1c n PRO 101 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3h1c h LEU 102 N 0.00 0.00 -9.58 1.53 3.38 -1.71 -3.43 115.31 105.49 3h1c h LEU 102 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3h1c h LEU 102 Cb 0.43 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.20 3h1c h LEU 102 CO 0.00 0.22 0.61 -0.36 0.09 0.00 0.00 178.44 179.01 3h1c s PHE 103 N -3.51 3.36 0.68 1.13 0.40 -1.18 -2.91 117.98 115.94 3h1c s PHE 103 Ca 0.02 1.24 -0.17 0.00 -0.60 0.00 0.00 56.93 57.42 3h1c s PHE 103 Cb 0.09 -3.52 0.01 0.00 0.51 0.00 0.00 43.02 40.11 3h1c s PHE 103 CO 0.65 -1.62 1.23 -1.25 0.70 0.00 0.00 175.22 174.92 3h1c s PRO 104 N 0.49 2.46 -0.02 0.24 0.04 -1.26 -4.94 135.00 132.01 3h1c s PRO 104 Ca 0.58 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 3h1c s PRO 104 Cb -0.33 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 3h1c s PRO 104 CO 0.33 -1.61 1.39 -2.00 0.04 0.00 0.00 177.00 175.15 3h1c s GLU 105 N -3.65 4.28 0.00 4.56 2.12 -1.26 -2.79 118.70 121.97 3h1c s GLU 105 Ca 0.77 1.94 0.00 0.00 0.36 0.00 0.00 54.97 58.04 3h1c s GLU 105 Cb -0.31 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.47 3h1c s GLU 105 CO 0.41 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 3h1c n GLY 106 N 3.65 0.75 3.65 -1.50 0.00 -1.26 -4.94 105.19 105.53 3h1c n GLY 106 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.32 -0.04 1.61 5.36 -1.12 -4.79 117.98 120.32 3h1c s PHE 107 Ca 0.00 1.19 0.08 0.00 -0.96 0.00 0.00 56.93 57.24 3h1c s PHE 107 Cb 0.00 -3.07 -0.12 0.00 -0.34 0.00 0.00 43.02 39.48 3h1c s PHE 107 CO 0.00 -0.40 0.19 0.28 -1.46 0.00 0.00 175.22 173.84 3h1c n VAL 108 N 5.22 0.00 -1.69 3.12 0.31 -1.26 -4.56 118.33 119.46 3h1c n VAL 108 Ca 0.06 -0.20 -0.44 0.00 -0.01 0.00 0.00 64.34 63.76 3h1c n VAL 108 Cb 0.47 0.37 -0.03 0.00 -0.91 0.00 0.00 33.84 33.75 3h1c n VAL 108 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3h1c n ASN 109 N -1.74 3.17 -4.70 4.52 4.13 -1.26 -4.52 115.26 114.87 3h1c n ASN 109 Ca -0.01 1.13 -0.42 0.00 1.68 0.00 0.00 54.58 56.95 3h1c n ASN 109 Cb 0.21 -1.48 -0.03 0.00 -1.54 0.00 0.00 39.78 36.94 3h1c n ASN 109 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3h1c s GLU 110 N -0.10 4.44 0.01 3.52 2.12 -1.26 -4.72 118.70 122.70 3h1c s GLU 110 Ca 0.69 1.59 0.05 0.00 0.36 0.00 0.00 54.97 57.67 3h1c s GLU 110 Cb -0.61 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.29 3h1c s GLU 110 CO 0.46 -0.28 -0.16 0.14 -0.54 0.00 0.00 175.26 174.89 3h1c s VAL 111 N 1.58 1.26 -0.09 3.70 -7.23 -1.22 -2.76 120.40 115.64 3h1c s VAL 111 Ca 0.54 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 3h1c s VAL 111 Cb -0.24 -1.08 0.01 0.00 0.56 0.00 0.00 36.38 35.64 3h1c s VAL 111 CO 0.25 0.23 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.56 3h1c s GLN 112 N -0.70 1.87 -0.32 4.82 0.74 -1.02 -3.24 119.66 121.81 3h1c s GLN 112 Ca 0.05 -0.45 -0.06 0.00 0.05 0.00 0.00 55.36 54.95 3h1c s GLN 112 Cb -0.07 -1.60 0.03 0.00 1.10 0.00 0.00 33.01 32.47 3h1c s GLN 112 CO 0.00 -0.04 0.09 0.08 -0.55 0.00 0.00 175.29 174.88 3h1c s VAL 113 N 0.90 3.81 -0.35 1.34 1.01 -0.90 -2.14 120.40 124.07 3h1c s VAL 113 Ca -0.09 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.80 3h1c s VAL 113 Cb -0.15 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.17 3h1c s VAL 113 CO 0.01 -0.10 0.14 -0.63 0.00 0.00 0.00 175.10 174.52 3h1c s ILE 114 N 1.43 3.96 -0.38 2.22 1.01 -0.29 -1.13 121.20 128.03 3h1c s ILE 114 Ca -0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 60.65 59.46 3h1c s ILE 114 Cb -0.19 -3.26 0.06 0.00 0.01 0.00 0.00 42.46 39.08 3h1c s ILE 114 CO 0.03 -0.22 0.17 0.00 0.00 0.00 0.00 174.94 174.91 3h1c s ALA 115 N 1.43 3.15 -0.18 9.38 0.00 0.03 -1.53 121.76 134.04 3h1c s ALA 115 Ca -0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 51.96 49.92 3h1c s ALA 115 Cb -0.20 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 3h1c s ALA 115 CO 0.03 -1.51 -0.02 -0.08 0.00 0.00 0.00 175.76 174.18 3h1c s THR 116 N 1.38 3.85 -0.24 0.00 -1.32 -0.02 -1.67 115.64 117.62 3h1c s THR 116 Ca 0.01 -0.36 -0.29 0.00 -1.21 0.00 0.00 61.69 59.84 3h1c s THR 116 Cb -0.21 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 3h1c s THR 116 CO 0.02 0.45 1.19 -0.69 -2.21 0.00 0.00 174.62 173.38 3h1c s VAL 117 N 0.78 4.38 -0.02 5.08 1.01 -0.51 -0.20 120.40 130.93 3h1c s VAL 117 Ca -0.01 1.63 0.09 0.00 0.00 0.00 0.00 61.98 63.69 3h1c s VAL 117 Cb -0.14 -4.18 -0.14 0.00 0.00 0.00 0.00 36.38 31.91 3h1c s VAL 117 CO 0.02 -0.29 0.20 0.55 0.00 0.00 0.00 175.10 175.58 3h1c n VAL 118 N 5.65 0.00 -3.77 2.92 3.14 -0.54 -2.75 118.33 122.98 3h1c n VAL 118 Ca 0.13 -0.21 -0.13 0.00 -2.96 0.00 0.00 64.34 61.18 3h1c n VAL 118 Cb 0.46 0.31 -0.11 0.00 -1.06 0.00 0.00 33.84 33.44 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 -3.02 -0.31 -0.01 6.55 0.15 -0.43 -4.27 113.70 112.35 3h1c s SER 119 Ca -0.03 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.21 3h1c s SER 119 Cb 0.06 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 64.99 3h1c s SER 119 CO 0.38 -0.13 0.01 0.54 1.20 0.00 0.00 173.24 175.24 3h1c s VAL 120 N 0.07 -0.01 -0.17 4.45 0.11 -1.11 -0.35 120.40 123.38 3h1c s VAL 120 Ca -0.01 0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.05 3h1c s VAL 120 Cb -0.02 -0.04 -0.04 0.00 -1.53 0.00 0.00 36.38 34.74 3h1c s VAL 120 CO 0.01 0.04 0.05 0.21 -3.33 0.00 0.00 175.10 172.07 3h1c s ASN 121 N 0.41 5.51 0.00 3.54 2.47 -1.23 -4.69 114.94 120.96 3h1c s ASN 121 Ca -0.03 0.07 0.01 0.00 0.42 0.00 0.00 52.86 53.33 3h1c s ASN 121 Cb -0.05 -1.92 0.08 0.00 -1.45 0.00 0.00 41.25 37.92 3h1c s ASN 121 CO -0.01 0.19 0.38 -0.81 -3.72 0.00 0.00 177.10 173.13 3h1c n PRO 122 N 3.41 0.08 -0.03 0.43 -0.04 -1.26 -2.17 135.00 135.42 3h1c n PRO 122 Ca -0.17 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 3h1c n PRO 122 Cb 0.52 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 3h1c n PRO 122 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3h1c n GLN 123 N -0.76 0.89 -3.48 0.54 1.13 -1.26 -4.67 117.38 109.77 3h1c n GLN 123 Ca 0.01 0.03 -0.38 0.00 -1.94 0.00 0.00 57.00 54.71 3h1c n GLN 123 Cb 0.00 -1.12 -0.09 0.00 0.11 0.00 0.00 30.24 29.14 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 -2.12 5.24 -0.03 5.09 1.01 -0.92 -3.15 120.40 125.51 3h1c s VAL 124 Ca -0.07 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 3h1c s VAL 124 Cb 0.02 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3h1c s VAL 124 CO 0.16 0.22 1.13 0.21 0.00 0.00 0.00 175.10 176.82 3h1c s ASN 125 N 1.50 7.14 0.22 3.32 3.84 -1.26 -4.37 114.94 125.33 3h1c s ASN 125 Ca 0.13 1.78 0.21 0.00 0.21 0.00 0.00 52.86 55.18 3h1c s ASN 125 Cb -0.15 -2.56 0.92 0.00 -0.55 0.00 0.00 41.25 38.90 3h1c s ASN 125 CO 0.09 -0.49 1.64 -2.65 -2.79 0.00 0.00 177.10 172.90 3h1c n PRO 126 N 4.71 0.15 -0.23 0.43 -0.02 -1.26 -3.62 135.00 135.16 3h1c n PRO 126 Ca 0.09 0.44 -0.07 0.00 -2.02 0.00 0.00 63.50 61.94 3h1c n PRO 126 Cb 0.47 -1.82 0.04 0.00 -0.02 0.00 0.00 33.50 32.17 3h1c n PRO 126 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3h1c h ASP 127 N 0.00 0.82 1.83 2.55 2.03 -1.99 -0.15 116.42 121.51 3h1c h ASP 127 Ca 0.00 -0.13 -0.03 0.00 -0.73 0.00 0.00 57.03 56.14 3h1c h ASP 127 Cb 0.27 -0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 38.56 3h1c h ASP 127 CO 0.00 0.72 -0.15 0.16 -1.03 0.00 0.00 179.24 178.93 3h1c h ILE 128 N 0.87 0.26 -0.10 4.15 -0.00 -1.96 -2.97 117.51 117.76 3h1c h ILE 128 Ca 0.22 -1.36 -0.23 0.00 -0.00 0.00 0.00 64.86 63.48 3h1c h ILE 128 Cb 0.11 2.12 0.01 0.00 -0.00 0.00 0.00 36.82 39.06 3h1c h ILE 128 CO -0.03 0.15 -0.86 0.58 -0.00 0.00 0.00 178.15 177.99 3h1c h VAL 129 N 0.00 1.29 -0.02 0.16 2.07 -1.60 -3.10 116.25 115.05 3h1c h VAL 129 Ca -0.00 -2.08 -0.12 0.00 0.82 0.00 0.00 66.70 65.32 3h1c h VAL 129 Cb 1.11 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 3h1c h VAL 129 CO 0.02 0.65 -0.54 0.00 0.02 0.00 0.00 177.57 177.72 3h1c h ALA 130 N 0.55 1.06 -0.08 1.67 0.00 -1.05 -2.15 119.26 119.25 3h1c h ALA 130 Ca -0.07 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 3h1c h ALA 130 Cb 1.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3h1c h ALA 130 CO 0.17 0.68 -0.53 0.52 0.00 0.00 0.00 179.25 180.10 3h1c h MET 131 N 0.05 0.23 -0.11 0.00 2.86 -1.57 -2.13 114.93 114.26 3h1c h MET 131 Ca -0.00 -0.13 -0.18 0.00 -2.06 0.00 0.00 59.70 57.33 3h1c h MET 131 Cb 0.98 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 3h1c h MET 131 CO 0.07 0.70 -0.67 0.82 1.06 0.00 0.00 176.91 178.90 3h1c h ILE 132 N 0.18 1.36 -0.74 -1.22 1.08 -1.45 -2.81 117.51 113.90 3h1c h ILE 132 Ca 0.00 -2.01 0.01 0.00 -0.39 0.00 0.00 64.86 62.47 3h1c h ILE 132 Cb 0.99 1.99 -0.04 0.00 -3.07 0.00 0.00 36.82 36.69 3h1c h ILE 132 CO 0.08 0.61 0.49 1.23 -0.69 0.00 0.00 178.15 179.87 3h1c h GLY 133 N 1.19 1.05 1.69 5.37 0.00 -1.02 0.11 103.07 111.47 3h1c h GLY 133 Ca -0.02 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 3h1c h GLY 133 CO 0.12 0.36 -0.71 0.00 0.00 0.00 0.00 176.54 176.31 3h1c h ALA 134 N 1.28 0.68 -0.35 3.60 0.00 -1.46 -2.39 119.26 120.62 3h1c h ALA 134 Ca 0.28 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 3h1c h ALA 134 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3h1c h ALA 134 CO -0.07 0.78 -0.28 1.03 0.00 0.00 0.00 179.25 180.71 3h1c h SER 135 N 0.21 0.75 0.65 0.00 0.87 -1.17 -1.59 113.55 113.27 3h1c h SER 135 Ca -0.02 -0.29 -0.20 0.00 -1.23 0.00 0.00 61.79 60.05 3h1c h SER 135 Cb 1.27 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 3h1c h SER 135 CO 0.11 0.99 -0.89 0.00 -0.53 0.00 0.00 176.83 176.51 3h1c h ALA 136 N 1.06 0.51 0.01 6.23 0.00 -0.81 -3.22 119.26 123.05 3h1c h ALA 136 Ca 0.08 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 3h1c h ALA 136 Cb 0.79 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3h1c h ALA 136 CO 0.06 0.95 -0.32 0.00 0.00 0.00 0.00 179.25 179.95 3h1c h ALA 137 N 0.99 0.03 0.00 0.00 0.00 -1.35 -3.02 119.26 115.91 3h1c h ALA 137 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3h1c h ALA 137 Cb 1.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3h1c h ALA 137 CO 0.13 0.14 0.00 -0.07 0.00 0.00 0.00 179.25 179.45 3h1c h LEU 138 N -0.47 0.00 0.10 0.00 3.38 -1.42 -0.92 115.31 115.97 3h1c h LEU 138 Ca -0.04 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.63 3h1c h LEU 138 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3h1c h LEU 138 CO 0.06 0.00 -1.51 0.28 0.09 0.00 0.00 178.44 177.36 3h1c h SER 139 N 0.00 0.33 0.45 -0.43 0.02 -1.61 -3.35 113.55 108.96 3h1c h SER 139 Ca 0.00 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3h1c h SER 139 Cb 0.29 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3h1c h SER 139 CO 0.00 1.39 -0.36 0.18 -1.14 0.00 0.00 176.83 176.90 3h1c n LEU 140 N -3.42 0.62 -0.09 5.07 4.77 -0.93 -4.19 117.00 118.83 3h1c n LEU 140 Ca -0.15 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.66 3h1c n LEU 140 Cb 1.04 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.89 3h1c n LEU 140 CO 0.50 0.13 0.51 0.77 -1.33 0.00 0.00 177.39 177.97 3h1c h SER 141 N 0.40 0.94 0.00 -1.43 4.64 -1.31 -3.14 113.55 113.65 3h1c h SER 141 Ca 0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3h1c h SER 141 Cb 0.49 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3h1c h SER 141 CO 0.00 1.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.81 3h1c n GLY 142 N 0.19 3.13 3.70 -0.77 0.00 -1.26 -4.83 105.19 105.36 3h1c n GLY 142 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.89 2.62 -0.91 -0.61 1.01 -1.26 -1.56 121.20 117.60 3h1c s ILE 143 Ca 0.00 0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.63 3h1c s ILE 143 Cb 0.00 -3.18 -0.20 0.00 0.01 0.00 0.00 42.46 39.09 3h1c s ILE 143 CO 0.00 0.01 2.64 -0.81 0.00 0.00 0.00 174.94 176.78 3h1c n PRO 144 N 4.88 0.15 -3.93 2.79 -0.04 -1.26 -4.89 135.00 132.70 3h1c n PRO 144 Ca 0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.41 3h1c n PRO 144 Cb 0.38 -1.77 -0.17 0.00 -0.04 0.00 0.00 33.50 31.90 3h1c n PRO 144 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3h1c s PHE 145 N 9.34 0.66 -0.39 0.54 5.36 -1.26 -4.46 117.98 127.77 3h1c s PHE 145 Ca 1.30 -0.17 0.04 0.00 -0.96 0.00 0.00 56.93 57.14 3h1c s PHE 145 Cb -1.12 -0.71 0.32 0.00 -0.34 0.00 0.00 43.02 41.18 3h1c s PHE 145 CO 0.46 -0.26 1.26 0.09 -1.46 0.00 0.00 175.22 175.32 3h1c n ASN 146 N 4.63 3.24 -2.26 6.13 4.13 -1.15 -4.87 115.26 125.11 3h1c n ASN 146 Ca -0.16 -2.59 0.00 0.00 1.68 0.00 0.00 54.58 53.52 3h1c n ASN 146 Cb 0.50 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 3h1c n ASN 146 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h1c n GLY 147 N -0.02 1.12 3.93 7.41 0.00 -1.26 -4.99 105.19 111.38 3h1c n GLY 147 Ca 0.21 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 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 0.98 2.73 0.29 1.61 0.04 -1.26 -4.96 135.00 134.42 3h1c s PRO 148 Ca 0.00 -0.18 0.09 0.00 0.04 0.00 0.00 61.00 60.95 3h1c s PRO 148 Cb 0.00 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3h1c s PRO 148 CO 0.00 -0.79 0.09 0.96 0.04 0.00 0.00 177.00 177.30 3h1c s ILE 149 N -2.99 3.50 0.30 0.56 -4.36 -1.26 -4.27 121.20 112.67 3h1c s ILE 149 Ca 0.55 -1.73 0.10 0.00 -0.26 0.00 0.00 60.65 59.31 3h1c s ILE 149 Cb -0.11 -3.00 -0.05 0.00 1.25 0.00 0.00 42.46 40.56 3h1c s ILE 149 CO 0.44 -0.30 -0.04 -0.83 0.24 0.00 0.00 174.94 174.45 3h1c s GLY 150 N -3.77 1.86 -0.06 6.27 0.00 -0.86 -4.78 107.32 105.98 3h1c s GLY 150 Ca 0.34 -1.82 0.02 0.00 0.00 0.00 0.00 44.72 43.26 3h1c s GLY 150 CO 0.22 -1.84 -0.10 0.00 0.00 0.00 0.00 173.10 171.37 3h1c s ALA 151 N -2.44 1.11 -0.07 3.20 0.00 -1.26 -3.47 121.76 118.83 3h1c s ALA 151 Ca 0.32 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 3h1c s ALA 151 Cb -0.04 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.60 3h1c s ALA 151 CO 0.19 0.09 0.15 0.00 0.00 0.00 0.00 175.76 176.18 3h1c s ALA 152 N 0.71 -0.18 -0.23 0.00 0.00 -0.97 -4.89 121.76 116.20 3h1c s ALA 152 Ca -0.14 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.27 3h1c s ALA 152 Cb -0.15 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3h1c s ALA 152 CO 0.03 -0.39 0.31 0.50 0.00 0.00 0.00 175.76 176.22 3h1c s ARG 153 N 1.81 4.10 -0.13 0.00 3.52 -1.26 -1.42 118.95 125.56 3h1c s ARG 153 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 55.73 55.56 3h1c s ARG 153 Cb -0.12 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 3h1c s ARG 153 CO -0.06 -0.07 -0.06 0.08 -0.81 0.00 0.00 175.30 174.38 3h1c s VAL 154 N 1.44 3.70 0.58 7.11 1.01 -0.86 -0.23 120.40 133.15 3h1c s VAL 154 Ca 0.14 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.76 3h1c s VAL 154 Cb -0.15 -2.59 0.08 0.00 0.00 0.00 0.00 36.38 33.72 3h1c s VAL 154 CO 0.08 0.52 0.65 0.61 0.00 0.00 0.00 175.10 176.95 3h1c n GLY 155 N 3.29 2.31 2.82 4.51 0.00 0.74 -3.36 105.19 115.50 3h1c n GLY 155 Ca -0.18 -2.26 -0.14 0.00 0.00 0.00 0.00 46.02 43.44 3h1c n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h1c s TYR 156 N -2.75 -0.50 -0.20 1.61 5.04 -1.26 -2.26 117.35 117.04 3h1c s TYR 156 Ca 0.49 -0.64 -0.03 0.00 -2.44 0.00 0.00 57.07 54.46 3h1c s TYR 156 Cb -0.04 -0.31 -0.01 0.00 0.35 0.00 0.00 41.96 41.95 3h1c s TYR 156 CO 0.31 -0.99 -0.08 0.42 -1.34 0.00 0.00 175.55 173.87 3h1c s ILE 157 N 1.55 3.16 -1.29 3.14 1.01 -0.73 -1.34 121.20 126.69 3h1c s ILE 157 Ca 0.16 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 3h1c s ILE 157 Cb -0.14 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.93 3h1c s ILE 157 CO -0.06 0.46 0.75 0.59 0.00 0.00 0.00 174.94 176.69 3h1c n ASN 158 N 4.50 -1.39 -3.77 3.58 3.02 -1.26 -2.42 115.26 117.52 3h1c n ASN 158 Ca -0.19 -0.79 -0.26 0.00 -0.03 0.00 0.00 54.58 53.31 3h1c n ASN 158 Cb 0.51 -4.23 0.05 0.00 -0.61 0.00 0.00 39.78 35.50 3h1c n ASN 158 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3h1c n ASP 159 N -3.06 -4.64 -3.77 6.41 5.75 -1.26 -5.00 116.55 110.97 3h1c n ASP 159 Ca -0.29 -0.71 -0.13 0.00 -0.01 0.00 0.00 54.79 53.66 3h1c n ASP 159 Cb 0.67 -4.32 -0.12 0.00 -1.03 0.00 0.00 41.12 36.32 3h1c n ASP 159 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3h1c s GLN 160 N -6.38 0.24 -0.02 0.11 2.00 -1.02 -5.14 119.66 109.45 3h1c s GLN 160 Ca 0.52 0.39 -0.30 0.00 -2.00 0.00 0.00 55.36 53.97 3h1c s GLN 160 Cb -0.25 0.03 -0.03 0.00 0.80 0.00 0.00 33.01 33.56 3h1c s GLN 160 CO 0.79 -0.08 1.01 0.71 -0.50 0.00 0.00 175.29 177.22 3h1c s TYR 161 N 0.56 3.61 -0.11 1.67 1.51 -1.26 -1.78 117.35 121.54 3h1c s TYR 161 Ca -0.04 1.64 0.02 0.00 -1.01 0.00 0.00 57.07 57.68 3h1c s TYR 161 Cb -0.05 -3.16 -0.01 0.00 -0.11 0.00 0.00 41.96 38.63 3h1c s TYR 161 CO -0.03 -0.17 -0.19 0.08 -1.11 0.00 0.00 175.55 174.13 3h1c s VAL 162 N 1.22 2.55 -0.08 0.71 1.01 -0.96 -4.96 120.40 119.90 3h1c s VAL 162 Ca 0.52 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 3h1c s VAL 162 Cb -0.21 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3h1c s VAL 162 CO 0.26 0.54 0.71 -0.22 0.00 0.00 0.00 175.10 176.39 3h1c s LEU 163 N 0.32 4.30 -0.63 3.92 2.96 -1.26 -0.19 118.68 128.10 3h1c s LEU 163 Ca -0.14 1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 54.80 3h1c s LEU 163 Cb -0.17 -3.09 0.02 0.00 0.50 0.00 0.00 46.19 43.45 3h1c s LEU 163 CO 0.07 -0.15 0.64 0.59 -1.32 0.00 0.00 176.35 176.19 3h1c n ASN 164 N 3.96 -6.31 -4.78 3.68 3.02 0.68 -4.80 115.26 110.72 3h1c n ASN 164 Ca -0.01 -0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 53.92 3h1c n ASN 164 Cb 0.51 -3.23 -0.06 0.00 -0.61 0.00 0.00 39.78 36.39 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 -3.38 4.58 0.98 3.52 0.04 -1.26 -4.95 135.00 134.54 3h1c s PRO 165 Ca 0.15 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 62.38 3h1c s PRO 165 Cb -0.02 -2.80 0.18 0.00 0.04 0.00 0.00 34.50 31.90 3h1c s PRO 165 CO 0.83 0.27 1.18 0.95 0.04 0.00 0.00 177.00 180.28 3h1c s THR 166 N -1.61 1.92 0.49 1.26 -4.23 -1.26 -4.73 115.64 107.47 3h1c s THR 166 Ca 0.50 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.24 3h1c s THR 166 Cb -0.19 -2.77 0.28 0.00 1.34 0.00 0.00 72.50 71.16 3h1c s THR 166 CO 0.24 0.00 2.12 -0.61 -0.54 0.00 0.00 174.62 175.83 3h1c h GLN 167 N -1.74 0.00 0.10 3.99 5.75 -1.82 0.99 115.11 122.38 3h1c h GLN 167 Ca -0.48 0.00 -0.28 0.00 -0.15 0.00 0.00 58.65 57.74 3h1c h GLN 167 Cb 1.30 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.84 3h1c h GLN 167 CO 0.50 0.09 -1.35 -0.44 -2.65 0.00 0.00 178.83 174.97 3h1c h ASP 168 N 0.00 0.34 0.89 -0.69 3.32 -1.91 -3.33 116.42 115.04 3h1c h ASP 168 Ca -0.00 -0.41 -0.13 0.00 0.02 0.00 0.00 57.03 56.51 3h1c h ASP 168 Cb 0.19 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3h1c h ASP 168 CO 0.01 1.33 -0.60 -0.33 -1.72 0.00 0.00 179.24 177.94 3h1c h GLU 169 N 0.06 0.00 0.00 3.56 5.08 -1.68 -3.23 114.58 118.37 3h1c h GLU 169 Ca -0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3h1c h GLU 169 Cb 1.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 3h1c h GLU 169 CO 0.17 0.60 -0.34 1.25 -1.00 0.00 0.00 179.01 179.69 3h1c h LEU 170 N 0.00 0.00 -0.98 1.33 5.85 -0.96 -2.51 115.31 118.05 3h1c h LEU 170 Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3h1c h LEU 170 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3h1c h LEU 170 CO 0.08 0.34 -0.40 0.50 -0.34 0.00 0.00 178.44 178.62 3h1c h LYS 171 N 0.00 0.22 0.00 1.25 3.64 -1.66 -2.68 116.57 117.33 3h1c h LYS 171 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3h1c h LYS 171 Cb 0.84 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3h1c h LYS 171 CO 0.04 0.59 -0.60 0.93 -2.27 0.00 0.00 179.45 178.14 3h1c h GLU 172 N 0.18 0.00 -7.22 1.90 4.39 -1.66 -3.47 114.58 108.70 3h1c h GLU 172 Ca 0.02 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.22 3h1c h GLU 172 Cb 0.79 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.51 3h1c h GLU 172 CO 0.06 0.00 0.38 0.45 -1.16 0.00 0.00 179.01 178.74 3h1c s SER 173 N -4.41 5.77 0.00 1.42 0.15 -0.96 -4.84 113.70 110.83 3h1c s SER 173 Ca 0.06 1.77 0.14 0.00 0.70 0.00 0.00 55.95 58.62 3h1c s SER 173 Cb 0.13 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 61.83 3h1c s SER 173 CO 0.72 -1.18 0.70 1.17 1.20 0.00 0.00 173.24 175.85 3h1c n LYS 174 N -2.18 2.06 -4.51 5.44 3.00 -0.45 -4.93 118.16 116.60 3h1c n LYS 174 Ca 0.08 -0.35 -0.21 0.00 -0.00 0.00 0.00 58.31 57.83 3h1c n LYS 174 Cb 0.53 -1.20 -0.14 0.00 0.00 0.00 0.00 35.03 34.22 3h1c n LYS 174 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3h1c s LEU 175 N -2.34 2.08 -0.29 3.14 2.96 -1.26 -1.63 118.68 121.33 3h1c s LEU 175 Ca 0.09 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3h1c s LEU 175 Cb 0.11 -0.65 0.12 0.00 0.50 0.00 0.00 46.19 46.27 3h1c s LEU 175 CO 0.49 0.12 0.23 -0.62 -1.32 0.00 0.00 176.35 175.24 3h1c s ASP 176 N -0.60 2.43 0.03 3.68 2.15 -1.26 -4.14 116.67 118.97 3h1c s ASP 176 Ca 0.04 -0.99 -0.00 0.00 0.43 0.00 0.00 52.55 52.03 3h1c s ASP 176 Cb -0.06 0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 42.69 3h1c s ASP 176 CO 0.00 -0.41 -0.03 -1.48 -0.17 0.00 0.00 175.17 173.08 3h1c s LEU 177 N 2.24 2.31 -0.16 -1.34 0.05 -1.21 -2.76 118.68 117.81 3h1c s LEU 177 Ca 0.09 -0.64 0.02 0.00 0.05 0.00 0.00 54.13 53.65 3h1c s LEU 177 Cb -0.15 0.10 0.01 0.00 -2.05 0.00 0.00 46.19 44.10 3h1c s LEU 177 CO -0.34 -0.37 -0.20 -0.69 -0.55 0.00 0.00 176.35 174.19 3h1c s VAL 178 N -2.11 2.10 -0.04 1.48 1.01 -1.21 -2.03 120.40 119.60 3h1c s VAL 178 Ca -0.09 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 60.99 3h1c s VAL 178 Cb -0.05 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3h1c s VAL 178 CO -0.03 0.54 -0.17 0.54 0.00 0.00 0.00 175.10 175.98 3h1c s VAL 179 N 1.06 2.78 -0.01 2.92 0.11 -0.51 -1.88 120.40 124.88 3h1c s VAL 179 Ca -0.01 -0.83 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 3h1c s VAL 179 Cb -0.14 -2.06 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 3h1c s VAL 179 CO -0.07 0.59 -0.05 0.00 -3.33 0.00 0.00 175.10 172.24 3h1c s ALA 180 N -0.68 0.46 -0.04 1.54 0.00 -1.19 -2.29 121.76 119.56 3h1c s ALA 180 Ca 0.11 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.60 3h1c s ALA 180 Cb -0.11 -0.18 0.11 0.00 0.00 0.00 0.00 23.12 22.95 3h1c s ALA 180 CO 0.00 0.07 1.13 0.20 0.00 0.00 0.00 175.76 177.17 3h1c s GLY 181 N 0.15 -0.35 0.00 0.00 0.00 -1.23 -1.23 107.32 104.67 3h1c s GLY 181 Ca -0.01 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.66 3h1c s GLY 181 CO -0.00 0.28 0.00 -1.30 0.00 0.00 0.00 173.10 172.07 3h1c n THR 182 N -0.31 0.00 0.21 0.90 -2.24 -0.69 -2.02 114.28 110.12 3h1c n THR 182 Ca -0.05 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.79 3h1c n THR 182 Cb 0.61 -1.91 0.44 0.00 -2.10 0.00 0.00 70.33 67.37 3h1c n THR 182 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3h1c h GLU 183 N 0.00 0.00 0.00 -0.78 4.81 -1.93 -3.24 114.58 113.44 3h1c h GLU 183 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3h1c h GLU 183 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3h1c h GLU 183 CO 0.00 0.31 -0.33 0.00 -0.73 0.00 0.00 179.01 178.26 3h1c n ALA 184 N -2.36 2.90 0.00 2.92 0.00 -1.26 -5.09 120.51 117.63 3h1c n ALA 184 Ca -0.01 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.60 3h1c n ALA 184 Cb 0.40 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3h1c n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1c n ALA 185 N -1.08 0.00 -3.61 0.00 0.00 -1.22 -4.75 120.51 109.86 3h1c n ALA 185 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3h1c n ALA 185 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 3h1c n ALA 185 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3h1c n VAL 186 N 0.24 0.00 0.00 0.00 0.24 -1.26 -1.71 118.33 115.84 3h1c n VAL 186 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3h1c n VAL 186 Cb 0.00 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 3h1c n VAL 186 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3h1c n LEU 187 N 0.00 0.00 -4.03 1.34 4.77 -0.38 -4.50 117.00 114.20 3h1c n LEU 187 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3h1c n LEU 187 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3h1c n LEU 187 CO 0.00 0.00 0.12 -0.32 -1.33 0.00 0.00 177.39 175.86 3h1c s MET 188 N -0.01 1.52 0.00 3.23 1.75 -0.36 -3.03 119.30 122.39 3h1c s MET 188 Ca 0.00 -1.32 0.00 0.00 -1.25 0.00 0.00 55.69 53.12 3h1c s MET 188 Cb 0.00 0.44 0.00 0.00 2.84 0.00 0.00 34.83 38.11 3h1c s MET 188 CO 0.00 -0.62 0.00 0.28 -0.65 0.00 0.00 175.02 174.03 3h1c n VAL 189 N -0.37 0.00 -3.51 10.11 0.31 -1.14 -3.15 118.33 120.59 3h1c n VAL 189 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.92 3h1c n VAL 189 Cb 0.62 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.52 3h1c n VAL 189 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3h1c s GLU 190 N 0.00 3.61 -0.00 5.55 2.56 -0.78 -0.93 118.70 128.71 3h1c s GLU 190 Ca 0.00 -3.16 -0.28 0.00 0.00 0.00 0.00 54.97 51.54 3h1c s GLU 190 Cb 0.00 -4.21 -0.04 0.00 2.00 0.00 0.00 34.13 31.89 3h1c s GLU 190 CO 0.00 -1.25 0.87 -1.54 -0.56 0.00 0.00 175.26 172.78 3h1c s SER 191 N 0.63 7.26 -0.46 -1.70 1.04 1.20 -3.29 113.70 118.38 3h1c s SER 191 Ca 0.27 1.51 0.06 0.00 0.48 0.00 0.00 55.95 58.28 3h1c s SER 191 Cb -0.09 -2.51 0.31 0.00 0.10 0.00 0.00 66.02 63.83 3h1c s SER 191 CO -0.10 -0.17 1.08 1.21 0.98 0.00 0.00 173.24 176.24 3h1c n GLU 192 N 3.63 1.00 0.00 4.02 0.00 -1.11 -0.50 120.64 127.67 3h1c n GLU 192 Ca 0.03 -1.99 0.00 0.00 0.00 0.00 0.00 57.16 55.20 3h1c n GLU 192 Cb 0.51 -1.10 0.00 0.00 0.00 0.00 0.00 31.44 30.85 3h1c n GLU 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3h1c n ALA 193 N 0.47 0.00 -3.34 4.31 0.00 -1.24 -4.09 120.51 116.62 3h1c n ALA 193 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 3h1c n ALA 193 Cb 0.69 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.09 3h1c n ALA 193 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h1c n GLN 194 N 0.00 3.18 -3.05 0.00 6.02 -0.65 -4.72 117.38 118.16 3h1c n GLN 194 Ca 0.00 -4.59 -0.03 0.00 -0.01 0.00 0.00 57.00 52.36 3h1c n GLN 194 Cb 0.00 -2.37 0.00 0.00 1.02 0.00 0.00 30.24 28.89 3h1c n GLN 194 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3h1c n LEU 195 N 1.33 -6.77 -4.74 1.08 4.77 -0.93 -4.95 117.00 106.79 3h1c n LEU 195 Ca 0.27 0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.98 3h1c n LEU 195 Cb 0.37 -3.24 -0.07 0.00 -2.33 0.00 0.00 43.42 38.16 3h1c n LEU 195 CO 0.50 -1.31 -0.28 -0.76 -1.33 0.00 0.00 177.39 174.21 3h1c s LEU 196 N -3.72 3.63 1.28 2.23 1.43 -0.93 -4.38 118.68 118.21 3h1c s LEU 196 Ca 0.06 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 3h1c s LEU 196 Cb -0.02 -2.29 0.31 0.00 0.03 0.00 0.00 46.19 44.22 3h1c s LEU 196 CO 0.76 0.13 1.02 -0.94 0.23 0.00 0.00 176.35 177.55 3h1c s SER 197 N -2.69 0.20 0.16 2.29 1.04 -1.26 -1.39 113.70 112.05 3h1c s SER 197 Ca 0.29 0.91 -0.11 0.00 0.48 0.00 0.00 55.95 57.52 3h1c s SER 197 Cb -0.11 -1.33 0.02 0.00 0.10 0.00 0.00 66.02 64.71 3h1c s SER 197 CO 0.21 -4.60 1.58 -0.33 0.98 0.00 0.00 173.24 171.08 3h1c h GLU 198 N -2.90 0.99 -0.07 4.02 3.07 -1.96 -2.42 114.58 115.31 3h1c h GLU 198 Ca -0.48 -0.36 -0.15 0.00 -0.50 0.00 0.00 59.36 57.86 3h1c h GLU 198 Cb 1.32 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 3h1c h GLU 198 CO 0.36 1.04 -0.63 -0.44 -1.40 0.00 0.00 179.01 177.95 3h1c h ASP 199 N 0.85 0.28 0.27 1.42 3.32 -1.99 -1.87 116.42 118.70 3h1c h ASP 199 Ca 0.14 -0.17 -0.18 0.00 0.02 0.00 0.00 57.03 56.84 3h1c h ASP 199 Cb 0.66 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3h1c h ASP 199 CO 0.05 0.84 -0.72 1.56 -1.72 0.00 0.00 179.24 179.25 3h1c h GLN 200 N 0.18 0.39 -0.13 3.56 4.20 -1.91 -1.92 115.11 119.47 3h1c h GLN 200 Ca -0.01 -0.31 -0.19 0.00 0.06 0.00 0.00 58.65 58.20 3h1c h GLN 200 Cb 1.14 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 3h1c h GLN 200 CO 0.10 0.95 -0.69 0.52 -0.67 0.00 0.00 178.83 179.04 3h1c h MET 201 N 0.27 0.55 -0.12 1.46 2.86 -1.39 -3.03 114.93 115.53 3h1c h MET 201 Ca -0.03 -0.42 -0.17 0.00 -2.06 0.00 0.00 59.70 57.03 3h1c h MET 201 Cb 1.29 0.08 0.01 0.00 0.06 0.00 0.00 31.60 33.03 3h1c h MET 201 CO 0.12 1.04 -0.58 1.25 1.06 0.00 0.00 176.91 179.81 3h1c h LEU 202 N 0.39 0.72 -1.50 1.22 5.85 -1.33 -3.19 115.31 117.47 3h1c h LEU 202 Ca -0.02 -0.63 -0.05 0.00 0.84 0.00 0.00 57.88 58.01 3h1c h LEU 202 Cb 1.27 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3h1c h LEU 202 CO 0.13 1.24 -0.23 1.23 -0.34 0.00 0.00 178.44 180.46 3h1c h GLY 203 N 0.25 0.00 1.76 3.75 0.00 -1.44 -2.82 103.07 104.57 3h1c h GLY 203 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.14 3h1c h GLY 203 CO 0.12 0.00 -0.66 0.00 0.00 0.00 0.00 176.54 176.00 3h1c h ALA 204 N 1.77 0.78 -0.25 3.60 0.00 -1.54 -0.47 119.26 123.15 3h1c h ALA 204 Ca -0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 54.91 54.13 3h1c h ALA 204 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3h1c h ALA 204 CO 0.03 0.76 -0.61 0.28 0.00 0.00 0.00 179.25 179.72 3h1c h VAL 205 N 0.17 1.27 -0.44 0.00 2.07 -1.50 -2.85 116.25 114.97 3h1c h VAL 205 Ca -0.01 -1.79 -0.14 0.00 0.82 0.00 0.00 66.70 65.58 3h1c h VAL 205 Cb 1.18 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3h1c h VAL 205 CO 0.10 0.58 -0.26 0.58 0.02 0.00 0.00 177.57 178.59 3h1c h VAL 206 N 0.64 1.27 -0.14 2.57 2.07 -1.45 -2.42 116.25 118.79 3h1c h VAL 206 Ca -0.00 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3h1c h VAL 206 Cb 1.22 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3h1c h VAL 206 CO 0.13 0.48 0.09 0.15 0.02 0.00 0.00 177.57 178.44 3h1c h PHE 207 N 0.80 0.16 -0.35 1.57 3.57 -1.10 -1.57 116.94 120.02 3h1c h PHE 207 Ca 0.10 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 3h1c h PHE 207 Cb 0.83 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3h1c h PHE 207 CO 0.05 0.10 -0.26 0.78 -2.23 0.00 0.00 178.31 176.75 3h1c h GLY 208 N 0.18 0.78 1.65 2.40 0.00 -1.52 -2.04 103.07 104.52 3h1c h GLY 208 Ca 0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 3h1c h GLY 208 CO -0.02 0.62 -0.36 0.84 0.00 0.00 0.00 176.54 177.62 3h1c h HIS 209 N 0.62 0.46 0.02 5.60 -0.00 -1.33 -1.97 115.15 118.55 3h1c h HIS 209 Ca 0.08 -0.12 -0.21 0.00 -0.00 0.00 0.00 60.37 60.12 3h1c h HIS 209 Cb 0.76 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.05 3h1c h HIS 209 CO 0.04 0.71 -1.00 1.49 -0.00 0.00 0.00 177.93 179.16 3h1c h GLU 210 N 0.33 0.07 0.00 5.26 4.81 -1.19 -3.33 114.58 120.54 3h1c h GLU 210 Ca 0.04 -0.10 -0.22 0.00 -0.13 0.00 0.00 59.36 58.94 3h1c h GLU 210 Cb 0.80 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 3h1c h GLU 210 CO 0.06 1.01 -1.07 1.96 -0.73 0.00 0.00 179.01 180.24 3h1c h GLN 211 N 0.02 0.01 0.00 1.92 1.08 -1.30 -3.26 115.11 113.58 3h1c h GLN 211 Ca -0.03 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3h1c h GLN 211 Cb 1.73 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.16 3h1c h GLN 211 CO 0.14 0.96 0.00 0.00 -0.95 0.00 0.00 178.83 178.98 3h1c n GLN 212 N -3.33 0.84 -0.26 1.46 10.64 -0.75 -3.80 117.38 122.19 3h1c n GLN 212 Ca -0.02 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.09 3h1c n GLN 212 Cb 0.95 -1.45 0.07 0.00 -0.86 0.00 0.00 30.24 28.94 3h1c n GLN 212 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h1c h GLN 213 N 0.00 1.14 0.00 2.61 1.08 -1.68 -3.02 115.11 115.23 3h1c h GLN 213 Ca 0.00 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 3h1c h GLN 213 Cb 0.00 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.27 3h1c h GLN 213 CO 0.00 0.97 -0.08 -0.24 -0.95 0.00 0.00 178.83 178.54 3h1c h VAL 214 N 1.09 0.68 -0.09 -0.54 3.04 -1.84 -1.63 116.25 116.96 3h1c h VAL 214 Ca 0.23 -0.31 -0.21 0.00 -1.01 0.00 0.00 66.70 65.40 3h1c h VAL 214 Cb 0.32 1.19 0.01 0.00 -2.01 0.00 0.00 31.29 30.80 3h1c h VAL 214 CO -0.01 0.08 -0.74 0.58 -1.01 0.00 0.00 177.57 176.47 3h1c h VAL 215 N 0.00 1.31 -0.91 1.51 2.07 -1.81 -3.18 116.25 115.25 3h1c h VAL 215 Ca -0.00 -2.00 0.02 0.00 0.82 0.00 0.00 66.70 65.54 3h1c h VAL 215 Cb 0.18 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 3h1c h VAL 215 CO 0.01 0.62 0.60 0.40 0.02 0.00 0.00 177.57 179.21 3h1c h ILE 216 N 0.34 1.21 -0.67 4.57 2.04 -1.30 -1.90 117.51 121.80 3h1c h ILE 216 Ca -0.07 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 3h1c h ILE 216 Cb 1.39 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3h1c h ILE 216 CO 0.15 0.22 0.17 1.56 0.00 0.00 0.00 178.15 180.25 3h1c h GLN 217 N 1.20 1.05 0.00 2.37 4.20 -1.56 -2.27 115.11 120.10 3h1c h GLN 217 Ca 0.34 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 3h1c h GLN 217 Cb -0.09 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 3h1c h GLN 217 CO -0.09 0.92 -0.45 -0.91 -0.67 0.00 0.00 178.83 177.63 3h1c h ASN 218 N 1.00 0.00 0.03 1.46 2.35 -1.41 -2.07 115.58 116.94 3h1c h ASN 218 Ca 0.21 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.72 3h1c h ASN 218 Cb 0.34 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.73 3h1c h ASN 218 CO -0.00 0.45 -0.92 0.40 -1.65 0.00 0.00 177.43 175.71 3h1c h ILE 219 N 0.00 1.30 -0.31 2.81 2.04 -1.25 -2.93 117.51 119.17 3h1c h ILE 219 Ca -0.00 -2.18 -0.04 0.00 1.00 0.00 0.00 64.86 63.64 3h1c h ILE 219 Cb 0.96 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 3h1c h ILE 219 CO 0.06 0.68 0.03 0.78 0.00 0.00 0.00 178.15 179.70 3h1c h ASN 220 N 0.41 0.43 1.05 1.72 2.35 -1.24 -2.32 115.58 117.98 3h1c h ASN 220 Ca -0.09 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.51 3h1c h ASN 220 Cb 1.56 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.81 3h1c h ASN 220 CO 0.18 0.47 -0.42 -0.33 -1.65 0.00 0.00 177.43 175.68 3h1c h GLU 221 N 0.45 0.00 -0.13 0.81 4.39 -1.41 -2.98 114.58 115.72 3h1c h GLU 221 Ca 0.10 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.62 3h1c h GLU 221 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3h1c h GLU 221 CO 0.00 0.42 -0.68 1.25 -1.16 0.00 0.00 179.01 178.85 3h1c h LEU 222 N 0.00 0.60 -0.80 1.33 6.46 -1.23 -1.41 115.31 120.26 3h1c h LEU 222 Ca -0.00 -0.37 -0.10 0.00 -0.12 0.00 0.00 57.88 57.29 3h1c h LEU 222 Cb 1.06 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.80 3h1c h LEU 222 CO 0.05 1.11 -0.14 0.58 -0.62 0.00 0.00 178.44 179.43 3h1c h VAL 223 N 0.37 1.26 -0.06 1.05 2.07 -1.44 0.16 116.25 119.65 3h1c h VAL 223 Ca -0.02 -1.20 -0.15 0.00 0.82 0.00 0.00 66.70 66.16 3h1c h VAL 223 Cb 1.25 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3h1c h VAL 223 CO 0.12 0.41 -0.62 0.50 0.02 0.00 0.00 177.57 178.00 3h1c h LYS 224 N 0.68 0.22 0.00 1.57 3.64 -1.45 -2.38 116.57 118.85 3h1c h LYS 224 Ca 0.11 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3h1c h LYS 224 Cb 0.61 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3h1c h LYS 224 CO 0.04 0.77 -0.00 1.49 -2.27 0.00 0.00 179.45 179.48 3h1c h GLU 225 N 0.16 -0.00 -1.36 1.90 4.81 -1.00 -3.44 114.58 115.65 3h1c h GLU 225 Ca -0.01 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.78 3h1c h GLU 225 Cb 1.13 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.20 3h1c h GLU 225 CO 0.09 0.56 -0.92 0.00 -0.73 0.00 0.00 179.01 178.02 3h1c n ALA 226 N -2.68 1.18 -2.42 2.92 0.00 0.53 -5.09 120.51 114.94 3h1c n ALA 226 Ca -0.06 -2.76 -0.32 0.00 0.00 0.00 0.00 53.44 50.30 3h1c n ALA 226 Cb 0.27 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.48 1.44 0.31 0.00 0.00 -0.89 -4.75 107.32 101.95 3h1c s GLY 227 Ca 0.34 -1.03 -0.29 0.00 0.00 0.00 0.00 44.72 43.74 3h1c s GLY 227 CO -0.14 -0.82 1.23 0.54 0.00 0.00 0.00 173.10 173.91 3h1c s LYS 228 N -0.69 4.46 0.50 2.90 1.02 -1.19 -4.98 119.74 121.76 3h1c s LYS 228 Ca 0.11 2.06 -0.22 0.00 0.02 0.00 0.00 55.97 57.94 3h1c s LYS 228 Cb -0.10 -3.12 -0.08 0.00 -0.52 0.00 0.00 37.83 34.01 3h1c s LYS 228 CO -0.00 -0.04 1.05 -2.30 -0.92 0.00 0.00 175.35 173.14 3h1c n PRO 229 N 1.02 1.28 -1.81 -1.68 -0.02 -1.26 -4.36 135.00 128.17 3h1c n PRO 229 Ca -0.00 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 3h1c n PRO 229 Cb 0.43 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3h1c n PRO 229 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3h1c s ARG 230 N -2.38 4.01 0.26 -0.52 1.81 -1.26 -4.63 118.95 116.24 3h1c s ARG 230 Ca 0.68 2.53 -0.30 0.00 -1.72 0.00 0.00 55.73 56.92 3h1c s ARG 230 Cb -0.48 -2.89 -0.11 0.00 -0.45 0.00 0.00 34.95 31.02 3h1c s ARG 230 CO 0.53 -0.60 1.54 -1.58 -0.68 0.00 0.00 175.30 174.51 3h1c s TRP 231 N -1.14 2.88 -1.26 -0.53 0.52 -0.60 -4.90 118.94 113.91 3h1c s TRP 231 Ca 0.55 0.84 -0.19 0.00 0.02 0.00 0.00 56.10 57.32 3h1c s TRP 231 Cb -0.46 -3.97 0.01 0.00 -1.15 0.00 0.00 33.47 27.90 3h1c s TRP 231 CO 0.61 -3.28 1.88 -3.47 0.02 0.00 0.00 176.95 172.72 3h1c n ASP 232 N 2.47 4.13 -4.11 2.95 2.03 -1.26 -4.91 116.55 117.85 3h1c n ASP 232 Ca 0.08 -2.84 -0.24 0.00 0.52 0.00 0.00 54.79 52.32 3h1c n ASP 232 Cb 0.38 -1.68 -0.16 0.00 -0.72 0.00 0.00 41.12 38.95 3h1c n ASP 232 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3h1c s TRP 233 N 5.68 1.46 -0.04 -0.67 -0.00 -1.26 -5.14 118.94 118.97 3h1c s TRP 233 Ca 0.56 -0.36 0.01 0.00 -0.00 0.00 0.00 56.10 56.32 3h1c s TRP 233 Cb 0.06 -0.97 0.02 0.00 -0.00 0.00 0.00 33.47 32.58 3h1c s TRP 233 CO 0.07 -0.10 -0.03 -1.14 -0.00 0.00 0.00 176.95 175.75 3h1c s GLN 234 N -0.10 0.63 0.82 5.86 2.00 -1.26 -5.13 119.66 122.48 3h1c s GLN 234 Ca 0.00 -0.04 -0.12 0.00 -2.00 0.00 0.00 55.36 53.20 3h1c s GLN 234 Cb -0.09 -0.70 0.09 0.00 0.80 0.00 0.00 33.01 33.11 3h1c s GLN 234 CO 0.01 -0.10 1.17 -1.25 -0.50 0.00 0.00 175.29 174.62 3h1c s PRO 235 N 0.93 1.63 0.10 1.67 0.04 -1.26 -4.91 135.00 133.20 3h1c s PRO 235 Ca -0.11 1.62 -0.32 0.00 0.04 0.00 0.00 61.00 62.23 3h1c s PRO 235 Cb -0.14 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 3h1c s PRO 235 CO -0.00 -2.19 1.82 -1.91 0.04 0.00 0.00 177.00 174.75 3h1c n GLU 236 N -3.48 2.64 -1.76 4.56 4.07 -1.26 -4.91 120.64 120.51 3h1c n GLU 236 Ca 0.12 0.96 -0.41 0.00 -0.06 0.00 0.00 57.16 57.77 3h1c n GLU 236 Cb 0.51 -2.84 -0.01 0.00 -0.06 0.00 0.00 31.44 29.04 3h1c n GLU 236 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3h1c n PRO 237 N 5.54 2.69 -2.49 5.31 -0.04 -1.26 -4.95 135.00 139.79 3h1c n PRO 237 Ca 0.18 0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 64.18 3h1c n PRO 237 Cb 0.35 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.07 3h1c n PRO 237 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h1c s VAL 238 N -0.43 4.27 -0.50 0.52 0.11 -1.26 -5.01 120.40 118.09 3h1c s VAL 238 Ca 0.60 1.62 -0.07 0.00 -2.93 0.00 0.00 61.98 61.19 3h1c s VAL 238 Cb -0.49 -4.04 0.13 0.00 -1.53 0.00 0.00 36.38 30.45 3h1c s VAL 238 CO 0.54 0.09 0.35 0.21 -3.33 0.00 0.00 175.10 172.96 3h1c s ASN 239 N 1.17 5.59 0.50 3.54 2.47 -1.26 -4.94 114.94 122.01 3h1c s ASN 239 Ca 0.56 -2.11 0.29 0.00 0.42 0.00 0.00 52.86 52.02 3h1c s ASN 239 Cb -0.26 -1.96 1.21 0.00 -1.45 0.00 0.00 41.25 38.78 3h1c s ASN 239 CO 0.27 -0.61 1.94 -0.33 -3.72 0.00 0.00 177.10 174.64 3h1c h GLU 240 N 8.13 0.00 0.00 0.43 5.08 -1.98 -0.09 114.58 126.14 3h1c h GLU 240 Ca -0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3h1c h GLU 240 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 3h1c h GLU 240 CO 0.80 0.12 -0.00 0.00 -1.00 0.00 0.00 179.01 178.92 3h1c h ALA 241 N 1.88 1.00 0.00 3.43 0.00 -2.00 -2.92 119.26 120.65 3h1c h ALA 241 Ca -0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 3h1c h ALA 241 Cb 0.58 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3h1c h ALA 241 CO 0.02 0.00 -2.14 -0.11 0.00 0.00 0.00 179.25 177.02 3h1c n LEU 242 N -3.10 0.71 -0.18 0.00 7.94 -0.88 -3.93 117.00 117.58 3h1c n LEU 242 Ca 0.02 -0.03 -0.05 0.00 -1.11 0.00 0.00 56.01 54.83 3h1c n LEU 242 Cb 0.37 0.13 0.12 0.00 0.53 0.00 0.00 43.42 44.57 3h1c n LEU 242 CO 0.29 0.51 0.92 0.78 -1.11 0.00 0.00 177.39 178.79 3h1c h ASN 243 N 0.00 0.91 1.59 1.96 4.21 -1.07 -1.86 115.58 121.31 3h1c h ASN 243 Ca -0.45 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 56.85 3h1c h ASN 243 Cb 1.94 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 38.90 3h1c h ASN 243 CO 0.00 0.91 -0.42 0.00 -1.29 0.00 0.00 177.43 176.63 3h1c h ALA 244 N 1.20 0.80 -0.14 -0.83 0.00 -1.75 -3.14 119.26 115.39 3h1c h ALA 244 Ca 0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3h1c h ALA 244 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h1c h ALA 244 CO 0.01 0.05 -0.29 -0.09 0.00 0.00 0.00 179.25 178.93 3h1c h ARG 245 N 0.00 0.44 0.00 0.00 2.43 -1.60 -2.68 114.38 112.98 3h1c h ARG 245 Ca -0.00 -0.29 -0.09 0.00 -0.81 0.00 0.00 59.98 58.78 3h1c h ARG 245 Cb 1.03 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3h1c h ARG 245 CO 0.00 0.89 -0.44 -0.24 -1.51 0.00 0.00 179.97 178.68 3h1c h VAL 246 N 0.05 0.89 0.00 0.20 3.04 -1.47 -3.10 116.25 115.85 3h1c h VAL 246 Ca 0.00 -1.86 -0.04 0.00 -1.01 0.00 0.00 66.70 63.80 3h1c h VAL 246 Cb 0.88 2.16 -0.01 0.00 -2.01 0.00 0.00 31.29 32.32 3h1c h VAL 246 CO 0.06 0.43 -0.18 0.00 -1.01 0.00 0.00 177.57 176.88 3h1c h ALA 247 N 1.56 0.95 0.00 3.17 0.00 -1.55 -2.48 119.26 120.91 3h1c h ALA 247 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h1c h ALA 247 Cb 1.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3h1c h ALA 247 CO 0.06 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3h1c n ALA 248 N -2.17 1.96 0.00 0.00 0.00 -1.01 -2.49 120.51 116.79 3h1c n ALA 248 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3h1c n ALA 248 Cb 0.49 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3h1c n ALA 248 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h1c n LEU 249 N -1.49 0.00 0.00 0.00 4.77 -1.15 -4.90 117.00 114.23 3h1c n LEU 249 Ca 0.05 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3h1c n LEU 249 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3h1c n LEU 249 CO 0.19 0.00 -0.45 0.00 -1.33 0.00 0.00 177.39 175.80 3h1c n ALA 250 N -0.95 2.09 -0.30 -1.18 0.00 -0.94 -4.73 120.51 114.50 3h1c n ALA 250 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3h1c n ALA 250 Cb 0.00 0.45 0.24 0.00 0.00 0.00 0.00 19.45 20.14 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 0.60 -0.14 0.00 4.81 -1.68 0.29 114.58 118.46 3h1c h GLU 251 Ca 0.00 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 3h1c h GLU 251 Cb 0.91 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3h1c h GLU 251 CO 0.00 0.40 -0.48 0.00 -0.73 0.00 0.00 179.01 178.19 3h1c h ALA 252 N 1.58 0.91 0.06 2.92 0.00 -1.88 -2.40 119.26 120.44 3h1c h ALA 252 Ca 0.48 -0.47 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 3h1c h ALA 252 Cb 0.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3h1c h ALA 252 CO -0.38 0.66 -1.18 0.00 0.00 0.00 0.00 179.25 178.35 3h1c h ARG 253 N 0.29 0.12 0.00 0.00 3.08 -1.44 -3.26 114.38 113.17 3h1c h ARG 253 Ca 0.02 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 3h1c h ARG 253 Cb 0.96 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 3h1c h ARG 253 CO 0.08 1.05 -0.57 -0.07 -1.07 0.00 0.00 179.97 179.40 3h1c h LEU 254 N 0.03 0.00 -0.78 3.04 3.38 -0.48 -2.02 115.31 118.48 3h1c h LEU 254 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3h1c h LEU 254 Cb 1.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 3h1c h LEU 254 CO 0.16 0.57 -0.25 0.28 0.09 0.00 0.00 178.44 179.29 3h1c h SER 255 N 0.00 0.66 1.58 -0.43 0.02 -1.50 -2.02 113.55 111.86 3h1c h SER 255 Ca -0.01 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.62 3h1c h SER 255 Cb 1.07 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3h1c h SER 255 CO 0.07 0.89 -0.41 0.44 -1.14 0.00 0.00 176.83 176.68 3h1c h ASP 256 N 0.57 0.00 0.30 3.07 3.32 -1.59 -3.31 116.42 118.78 3h1c h ASP 256 Ca 0.08 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.94 3h1c h ASP 256 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3h1c h ASP 256 CO 0.06 0.41 -0.75 0.00 -1.72 0.00 0.00 179.24 177.23 3h1c h ALA 257 N 1.59 0.59 -0.47 3.45 0.00 -1.08 -3.22 119.26 120.12 3h1c h ALA 257 Ca -0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 3h1c h ALA 257 Cb 1.31 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 3h1c h ALA 257 CO 0.05 0.78 0.25 0.66 0.00 0.00 0.00 179.25 180.99 3h1c n TYR 258 N -3.82 1.48 -0.23 0.00 4.01 -0.78 -3.45 117.16 114.37 3h1c n TYR 258 Ca -0.04 -0.97 0.00 0.00 -0.16 0.00 0.00 57.90 56.73 3h1c n TYR 258 Cb 0.72 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3h1c n TYR 258 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3h1c n ARG 259 N -0.16 0.05 -2.73 -0.72 0.63 -1.21 -4.46 116.66 108.05 3h1c n ARG 259 Ca 0.27 -0.62 -0.41 0.00 -0.92 0.00 0.00 57.85 56.17 3h1c n ARG 259 Cb 1.02 -0.88 -0.04 0.00 0.45 0.00 0.00 32.46 33.00 3h1c n ARG 259 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3h1c s ILE 260 N -0.21 4.52 -0.05 5.15 -1.09 -1.22 -4.86 121.20 123.45 3h1c s ILE 260 Ca 0.00 2.07 -0.25 0.00 -2.23 0.00 0.00 60.65 60.24 3h1c s ILE 260 Cb 0.00 -4.32 -0.20 0.00 -1.58 0.00 0.00 42.46 36.36 3h1c s ILE 260 CO 0.00 0.31 1.06 0.74 -1.23 0.00 0.00 174.94 175.81 3h1c h THR 261 N 4.09 1.27 -3.72 2.92 2.02 -1.91 -3.42 112.91 114.17 3h1c h THR 261 Ca -0.43 -1.33 -0.52 0.00 0.77 0.00 0.00 66.41 64.91 3h1c h THR 261 Cb 1.21 2.11 0.04 0.00 -1.74 0.00 0.00 68.15 69.77 3h1c h THR 261 CO 0.72 0.32 0.58 -0.62 0.37 0.00 0.00 175.52 176.89 3h1c s ASP 262 N -5.69 6.99 0.14 4.18 2.15 -1.26 -4.71 116.67 118.46 3h1c s ASP 262 Ca -0.15 2.45 -0.08 0.00 0.43 0.00 0.00 52.55 55.20 3h1c s ASP 262 Cb 0.00 -2.63 -0.06 0.00 -0.30 0.00 0.00 42.92 39.94 3h1c s ASP 262 CO 0.61 -0.39 1.37 0.50 -0.17 0.00 0.00 175.17 177.09 3h1c h LYS 263 N 4.11 0.64 -0.54 4.34 3.64 -1.99 -2.39 116.57 124.39 3h1c h LYS 263 Ca -0.47 -0.51 -0.10 0.00 -1.27 0.00 0.00 60.65 58.31 3h1c h LYS 263 Cb 1.22 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 3h1c h LYS 263 CO 0.69 1.13 -0.04 1.96 -2.27 0.00 0.00 179.45 180.92 3h1c h GLN 264 N 0.44 0.95 0.00 1.90 4.20 -1.98 -1.16 115.11 119.46 3h1c h GLN 264 Ca -0.04 -0.30 -0.17 0.00 0.06 0.00 0.00 58.65 58.20 3h1c h GLN 264 Cb 1.34 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 3h1c h GLN 264 CO 0.14 0.96 -0.80 1.49 -0.67 0.00 0.00 178.83 179.96 3h1c h GLU 265 N 0.86 0.01 0.02 1.46 4.81 -1.97 -2.96 114.58 116.81 3h1c h GLU 265 Ca 0.15 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3h1c h GLU 265 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3h1c h GLU 265 CO 0.03 0.80 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.02 3h1c h ARG 266 N 0.00 -0.03 -0.02 1.92 2.43 -1.30 -2.82 114.38 114.56 3h1c h ARG 266 Ca -0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3h1c h ARG 266 Cb 1.42 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 3h1c h ARG 266 CO 0.10 0.68 -0.19 1.88 -1.51 0.00 0.00 179.97 180.94 3h1c h TYR 267 N -0.81 0.04 -0.08 2.20 0.05 -1.32 0.16 116.97 117.22 3h1c h TYR 267 Ca -0.00 -0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 3h1c h TYR 267 Cb 0.72 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.46 3h1c h TYR 267 CO 0.18 0.23 -0.83 0.00 -1.05 0.00 0.00 178.16 176.68 3h1c h ALA 268 N 1.78 0.39 -0.02 3.88 0.00 -1.63 -3.08 119.26 120.58 3h1c h ALA 268 Ca 0.01 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3h1c h ALA 268 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h1c h ALA 268 CO 0.02 0.74 -0.19 0.37 0.00 0.00 0.00 179.25 180.19 3h1c h GLN 269 N 0.37 0.17 0.00 0.00 5.75 -1.15 -3.13 115.11 117.11 3h1c h GLN 269 Ca -0.06 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.28 3h1c h GLN 269 Cb 1.45 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 30.04 3h1c h GLN 269 CO 0.16 0.85 -0.04 -0.24 -2.65 0.00 0.00 178.83 176.91 3h1c h VAL 270 N -0.46 0.33 -0.01 2.39 3.04 -0.82 -0.77 116.25 119.96 3h1c h VAL 270 Ca -0.02 -0.22 -0.22 0.00 -1.01 0.00 0.00 66.70 65.23 3h1c h VAL 270 Cb 0.90 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 3h1c h VAL 270 CO 0.04 0.04 -0.93 -0.78 -1.01 0.00 0.00 177.57 174.93 3h1c h ASP 271 N 0.00 0.53 -0.31 3.17 3.58 -1.59 -3.08 116.42 118.73 3h1c h ASP 271 Ca -0.00 -0.42 -0.05 0.00 0.42 0.00 0.00 57.03 56.98 3h1c h ASP 271 Cb 0.16 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3h1c h ASP 271 CO 0.00 1.22 0.02 0.58 -2.88 0.00 0.00 179.24 178.18 3h1c h VAL 272 N 0.24 1.25 -0.53 2.25 2.07 -1.09 0.05 116.25 120.48 3h1c h VAL 272 Ca -0.08 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3h1c h VAL 272 Cb 1.56 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 3h1c h VAL 272 CO 0.16 0.29 0.27 0.40 0.02 0.00 0.00 177.57 178.71 3h1c h ILE 273 N 0.34 0.95 -0.56 4.57 5.03 -1.56 0.62 117.51 126.90 3h1c h ILE 273 Ca 0.09 -0.18 -0.02 0.00 -0.12 0.00 0.00 64.86 64.63 3h1c h ILE 273 Cb 0.41 0.38 -0.03 0.00 -3.03 0.00 0.00 36.82 34.56 3h1c h ILE 273 CO 0.01 0.09 0.26 0.11 -0.68 0.00 0.00 178.15 177.95 3h1c h LYS 274 N 0.52 0.81 0.00 2.37 1.57 -1.43 -1.73 116.57 118.68 3h1c h LYS 274 Ca 0.24 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 3h1c h LYS 274 Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3h1c h LYS 274 CO -0.17 0.67 -0.55 0.77 -0.57 0.00 0.00 179.45 179.60 3h1c h SER 275 N 0.76 0.00 0.36 0.86 0.02 -0.54 -2.98 113.55 112.03 3h1c h SER 275 Ca 0.19 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.82 3h1c h SER 275 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3h1c h SER 275 CO -0.02 0.55 -1.60 -0.33 -1.14 0.00 0.00 176.83 174.29 3h1c h GLU 276 N 0.00 0.32 -0.36 3.45 5.08 -0.82 -3.17 114.58 119.07 3h1c h GLU 276 Ca -0.01 -0.54 -0.09 0.00 -1.00 0.00 0.00 59.36 57.73 3h1c h GLU 276 Cb 1.01 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3h1c h GLU 276 CO 0.07 1.20 -0.12 1.15 -1.00 0.00 0.00 179.01 180.31 3h1c h THR 277 N 0.09 1.28 -0.50 1.13 2.02 -1.36 -1.81 112.91 113.76 3h1c h THR 277 Ca -0.28 -1.21 -0.07 0.00 0.77 0.00 0.00 66.41 65.62 3h1c h THR 277 Cb 2.05 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 3h1c h THR 277 CO 0.18 0.40 0.03 0.40 0.37 0.00 0.00 175.52 176.89 3h1c h ILE 278 N 0.52 1.26 -0.14 3.11 2.04 -1.69 -1.97 117.51 120.64 3h1c h ILE 278 Ca 0.09 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 3h1c h ILE 278 Cb 0.64 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3h1c h ILE 278 CO 0.04 0.36 -0.23 0.00 0.00 0.00 0.00 178.15 178.33 3h1c h ALA 279 N 0.94 1.36 -0.09 1.87 0.00 -1.51 0.12 119.26 121.95 3h1c h ALA 279 Ca 0.14 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 3h1c h ALA 279 Cb 0.48 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3h1c h ALA 279 CO 0.02 0.44 -0.80 1.15 0.00 0.00 0.00 179.25 180.06 3h1c h THR 280 N 0.23 1.30 -0.03 0.00 2.02 -1.23 -2.78 112.91 112.43 3h1c h THR 280 Ca 0.04 -2.03 -0.14 0.00 0.77 0.00 0.00 66.41 65.04 3h1c h THR 280 Cb 0.53 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 3h1c h THR 280 CO 0.04 0.63 -0.62 -0.07 0.37 0.00 0.00 175.52 175.86 3h1c h LEU 281 N 0.38 0.13 -0.71 2.58 3.38 -1.15 -2.71 115.31 117.21 3h1c h LEU 281 Ca -0.07 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 3h1c h LEU 281 Cb 1.44 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 3h1c h LEU 281 CO 0.16 0.72 -0.63 -0.07 0.09 0.00 0.00 178.44 178.71 3h1c h LEU 282 N 0.08 0.05 -0.86 1.67 4.07 -1.04 0.91 115.31 120.19 3h1c h LEU 282 Ca -0.01 -0.03 -0.11 0.00 0.08 0.00 0.00 57.88 57.81 3h1c h LEU 282 Cb 1.12 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 3h1c h LEU 282 CO 0.09 0.67 -0.54 0.00 -1.08 0.00 0.00 178.44 177.58 3h1c h ALA 283 N 1.33 1.03 0.17 1.53 0.00 -1.37 -3.07 119.26 118.88 3h1c h ALA 283 Ca -0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 54.91 54.07 3h1c h ALA 283 Cb 1.13 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.84 3h1c h ALA 283 CO 0.09 0.68 -1.66 1.49 0.00 0.00 0.00 179.25 179.84 3h1c h GLU 284 N 0.00 0.35 -2.56 0.00 4.81 -1.34 -3.45 114.58 112.39 3h1c h GLU 284 Ca -0.01 -0.61 -0.31 0.00 -0.13 0.00 0.00 59.36 58.31 3h1c h GLU 284 Cb 1.00 0.23 -0.36 0.00 0.63 0.00 0.00 28.75 30.25 3h1c h GLU 284 CO 0.07 1.25 -0.62 0.34 -0.73 0.00 0.00 179.01 179.32 3h1c s ASP 285 N -7.20 1.31 0.37 1.04 2.15 0.30 -5.03 116.67 109.61 3h1c s ASP 285 Ca -0.13 -0.17 0.19 0.00 0.43 0.00 0.00 52.55 52.87 3h1c s ASP 285 Cb 0.06 0.39 0.25 0.00 -0.30 0.00 0.00 42.92 43.32 3h1c s ASP 285 CO 0.86 -0.32 1.55 -0.33 -0.17 0.00 0.00 175.17 176.76 3h1c h GLU 286 N 8.31 0.00 0.00 4.34 5.08 -1.78 -3.31 114.58 127.23 3h1c h GLU 286 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3h1c h GLU 286 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3h1c h GLU 286 CO 0.27 0.25 0.00 0.25 -1.00 0.00 0.00 179.01 178.78 3h1c n THR 287 N -3.17 0.72 -2.21 1.13 -2.24 -1.26 -4.83 114.28 102.41 3h1c n THR 287 Ca 0.03 0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.50 3h1c n THR 287 Cb 0.62 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -4.35 3.81 0.09 3.22 1.43 -1.25 -5.01 118.68 116.63 3h1c s LEU 288 Ca 0.07 2.26 -0.26 0.00 -1.03 0.00 0.00 54.13 55.17 3h1c s LEU 288 Cb 0.11 -4.48 -0.06 0.00 0.03 0.00 0.00 46.19 41.78 3h1c s LEU 288 CO 0.46 -1.20 0.82 -0.62 0.23 0.00 0.00 176.35 176.04 3h1c s ASP 289 N -1.61 7.33 0.18 2.29 2.15 -1.26 -4.97 116.67 120.78 3h1c s ASP 289 Ca 0.71 1.59 0.02 0.00 0.43 0.00 0.00 52.55 55.30 3h1c s ASP 289 Cb -0.27 -2.51 0.06 0.00 -0.30 0.00 0.00 42.92 39.91 3h1c s ASP 289 CO 0.30 0.04 1.43 -0.08 -0.17 0.00 0.00 175.17 176.69 3h1c h GLU 290 N 5.32 0.24 -0.09 4.34 4.81 -1.96 -3.07 114.58 124.17 3h1c h GLU 290 Ca -0.44 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 58.44 3h1c h GLU 290 Cb 1.21 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 3h1c h GLU 290 CO 0.70 0.91 -0.49 -0.91 -0.73 0.00 0.00 179.01 178.49 3h1c h ASN 291 N 0.15 0.25 -0.33 1.04 2.35 -1.99 -2.81 115.58 114.23 3h1c h ASN 291 Ca -0.03 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.48 3h1c h ASN 291 Cb 1.38 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 3h1c h ASN 291 CO 0.12 0.70 -0.23 -0.08 -1.65 0.00 0.00 177.43 176.29 3h1c h GLU 292 N 0.19 0.75 -0.56 0.81 4.81 -1.97 -2.90 114.58 115.70 3h1c h GLU 292 Ca 0.01 -0.36 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 3h1c h GLU 292 Cb 0.93 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3h1c h GLU 292 CO 0.08 0.98 0.01 -0.07 -0.73 0.00 0.00 179.01 179.27 3h1c h LEU 293 N 0.52 0.93 -1.16 1.64 3.38 -1.52 -2.70 115.31 116.41 3h1c h LEU 293 Ca 0.07 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 3h1c h LEU 293 Cb 0.79 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3h1c h LEU 293 CO 0.06 0.98 -0.34 1.23 0.09 0.00 0.00 178.44 180.47 3h1c h GLY 294 N 1.00 0.16 1.53 0.83 0.00 -1.51 -1.46 103.07 103.62 3h1c h GLY 294 Ca 0.17 -0.13 -0.22 0.00 0.00 0.00 0.00 47.33 47.15 3h1c h GLY 294 CO 0.02 0.12 -0.89 0.83 0.00 0.00 0.00 176.54 176.62 3h1c h GLU 295 N 0.13 0.44 -0.01 4.80 5.08 -1.36 -2.80 114.58 120.86 3h1c h GLU 295 Ca 0.02 -0.44 -0.21 0.00 -1.00 0.00 0.00 59.36 57.73 3h1c h GLU 295 Cb 0.66 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3h1c h GLU 295 CO 0.05 1.09 -0.88 0.82 -1.00 0.00 0.00 179.01 179.08 3h1c h ILE 296 N 0.26 1.43 -0.02 3.13 1.08 -1.38 -3.01 117.51 119.00 3h1c h ILE 296 Ca -0.07 -2.45 -0.06 0.00 -0.39 0.00 0.00 64.86 61.89 3h1c h ILE 296 Cb 1.51 2.38 -0.01 0.00 -3.07 0.00 0.00 36.82 37.64 3h1c h ILE 296 CO 0.16 0.73 -0.27 -0.07 -0.69 0.00 0.00 178.15 178.00 3h1c h LEU 297 N 0.20 0.03 -0.80 1.44 3.38 -1.31 -2.38 115.31 115.87 3h1c h LEU 297 Ca -0.06 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3h1c h LEU 297 Cb 1.51 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 3h1c h LEU 297 CO 0.15 0.31 -0.58 -0.74 0.09 0.00 0.00 178.44 177.66 3h1c h HIS 298 N 0.03 0.00 -0.10 1.13 2.76 -1.44 -2.63 115.15 114.89 3h1c h HIS 298 Ca 0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 3h1c h HIS 298 Cb 0.50 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 3h1c h HIS 298 CO 0.00 0.58 -0.43 0.00 -1.30 0.00 0.00 177.93 176.78 3h1c h ALA 299 N 1.42 1.08 -0.22 5.26 0.00 -1.30 -0.63 119.26 124.87 3h1c h ALA 299 Ca -0.01 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 3h1c h ALA 299 Cb 1.06 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.76 3h1c h ALA 299 CO 0.08 0.61 -0.62 0.82 0.00 0.00 0.00 179.25 180.13 3h1c h ILE 300 N 0.19 1.28 -0.56 0.00 2.04 -1.42 -1.24 117.51 117.81 3h1c h ILE 300 Ca 0.01 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 3h1c h ILE 300 Cb 0.85 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 3h1c h ILE 300 CO 0.07 0.58 0.29 -0.33 0.00 0.00 0.00 178.15 178.76 3h1c h GLU 301 N 0.55 0.77 -0.20 2.37 5.08 -1.29 -1.13 114.58 120.74 3h1c h GLU 301 Ca -0.02 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.06 3h1c h GLU 301 Cb 1.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3h1c h GLU 301 CO 0.13 0.59 -0.67 -0.22 -1.00 0.00 0.00 179.01 177.84 3h1c h LYS 302 N 0.78 0.76 -0.08 2.33 3.64 -1.04 -3.24 116.57 119.72 3h1c h LYS 302 Ca 0.20 -0.55 -0.19 0.00 -1.27 0.00 0.00 60.65 58.83 3h1c h LYS 302 Cb 0.05 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3h1c h LYS 302 CO -0.03 1.17 -0.76 -0.97 -2.27 0.00 0.00 179.45 176.60 3h1c h ASN 303 N 0.55 0.52 -0.19 4.20 -1.24 -0.86 -2.80 115.58 115.76 3h1c h ASN 303 Ca -0.02 -0.35 -0.04 0.00 0.71 0.00 0.00 56.30 56.59 3h1c h ASN 303 Cb 1.28 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 40.17 3h1c h ASN 303 CO 0.14 1.10 -0.05 0.58 -1.29 0.00 0.00 177.43 177.91 3h1c h VAL 304 N 0.29 1.29 -0.09 2.57 2.07 -1.32 -2.53 116.25 118.53 3h1c h VAL 304 Ca -0.04 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 3h1c h VAL 304 Cb 1.34 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3h1c h VAL 304 CO 0.13 0.31 -0.08 0.58 0.02 0.00 0.00 177.57 178.54 3h1c h VAL 305 N 0.09 1.35 -0.63 2.57 2.07 -1.65 -3.12 116.25 116.94 3h1c h VAL 305 Ca 0.05 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 3h1c h VAL 305 Cb 0.50 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3h1c h VAL 305 CO 0.02 0.34 0.12 0.03 0.02 0.00 0.00 177.57 178.09 3h1c h ARG 306 N -0.20 1.01 -0.23 1.57 3.08 -1.58 -2.80 114.38 115.24 3h1c h ARG 306 Ca 0.02 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.70 3h1c h ARG 306 Cb 0.57 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3h1c h ARG 306 CO 0.02 0.92 -0.38 0.77 -1.07 0.00 0.00 179.97 180.23 3h1c h SER 307 N 0.95 0.54 0.11 7.04 0.02 -1.54 -1.54 113.55 119.13 3h1c h SER 307 Ca 0.20 -0.23 -0.14 0.00 -0.84 0.00 0.00 61.79 60.78 3h1c h SER 307 Cb 0.39 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3h1c h SER 307 CO 0.01 0.87 -0.50 0.03 -1.14 0.00 0.00 176.83 176.10 3h1c h ARG 308 N 0.43 0.45 -0.12 3.45 3.08 -1.46 -0.89 114.38 119.31 3h1c h ARG 308 Ca 0.04 -0.26 -0.22 0.00 0.07 0.00 0.00 59.98 59.61 3h1c h ARG 308 Cb 0.86 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.94 3h1c h ARG 308 CO 0.07 0.85 -0.79 0.28 -1.07 0.00 0.00 179.97 179.31 3h1c h VAL 309 N 0.35 1.30 -0.33 2.04 2.07 -1.42 -2.12 116.25 118.15 3h1c h VAL 309 Ca 0.02 -2.04 -0.15 0.00 0.82 0.00 0.00 66.70 65.35 3h1c h VAL 309 Cb 1.00 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 3h1c h VAL 309 CO 0.09 0.64 -0.39 -0.07 0.02 0.00 0.00 177.57 177.86 3h1c h LEU 310 N 0.47 0.83 -0.44 2.57 4.07 -1.20 -3.21 115.31 118.40 3h1c h LEU 310 Ca -0.05 -0.37 -0.15 0.00 0.08 0.00 0.00 57.88 57.39 3h1c h LEU 310 Cb 1.41 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 3h1c h LEU 310 CO 0.16 1.12 -0.30 0.00 -1.08 0.00 0.00 178.44 178.34 3h1c h ALA 311 N 0.92 0.63 0.00 1.53 0.00 -1.23 -3.48 119.26 117.63 3h1c h ALA 311 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h1c h ALA 311 Cb 0.94 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3h1c h ALA 311 CO 0.09 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.43 3h1c n GLY 312 N 0.01 1.82 3.62 0.00 0.00 -1.10 -5.11 105.19 104.43 3h1c n GLY 312 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3h1c n GLY 312 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h1c s GLU 313 N -0.31 2.34 0.20 1.61 -1.05 -0.82 -5.07 118.70 115.61 3h1c s GLU 313 Ca 0.00 -0.91 -0.29 0.00 -0.15 0.00 0.00 54.97 53.62 3h1c s GLU 313 Cb 0.00 -2.42 -0.17 0.00 -0.44 0.00 0.00 34.13 31.11 3h1c s GLU 313 CO 0.00 0.54 0.65 -2.30 0.95 0.00 0.00 175.26 175.09 3h1c n PRO 314 N 0.81 0.26 -0.11 -4.83 -0.02 -1.26 -4.46 135.00 125.40 3h1c n PRO 314 Ca -0.13 0.09 -0.03 0.00 -2.02 0.00 0.00 63.50 61.42 3h1c n PRO 314 Cb 0.52 -1.19 0.02 0.00 -0.02 0.00 0.00 33.50 32.83 3h1c n PRO 314 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3h1c n ARG 315 N 1.00 -0.95 -0.08 -0.52 1.85 -1.00 -4.84 116.66 112.12 3h1c n ARG 315 Ca 0.17 -0.16 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 3h1c n ARG 315 Cb 0.25 -0.14 0.00 0.00 -1.05 0.00 0.00 32.46 31.52 3h1c n ARG 315 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3h1c h ILE 316 N -1.49 0.86 -0.01 8.89 5.03 -1.92 -2.27 117.51 126.60 3h1c h ILE 316 Ca -0.04 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 3h1c h ILE 316 Cb 0.11 0.67 0.00 0.00 -3.03 0.00 0.00 36.82 34.57 3h1c h ILE 316 CO 0.02 0.03 0.00 -0.90 -0.68 0.00 0.00 178.15 176.63 3h1c n ASP 317 N -5.08 1.16 -0.84 1.72 5.75 -1.26 -4.15 116.55 113.84 3h1c n ASP 317 Ca -0.00 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 3h1c n ASP 317 Cb 0.13 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 1.13 0.61 3.54 6.12 0.00 -0.85 -4.89 105.19 110.85 3h1c n GLY 318 Ca 0.20 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.66 1.88 0.37 1.61 0.52 -1.26 -4.90 118.95 114.51 3h1c s ARG 319 Ca 0.00 -2.12 0.05 0.00 -0.52 0.00 0.00 55.73 53.14 3h1c s ARG 319 Cb 0.00 -0.92 0.06 0.00 0.52 0.00 0.00 34.95 34.61 3h1c s ARG 319 CO 0.00 -0.33 0.51 -0.85 0.02 0.00 0.00 175.30 174.65 3h1c n GLU 320 N -0.90 0.68 0.23 3.54 -0.00 -1.26 -2.37 120.64 120.56 3h1c n GLU 320 Ca -0.07 -1.87 0.09 0.00 -0.00 0.00 0.00 57.16 55.31 3h1c n GLU 320 Cb 0.66 -0.18 0.52 0.00 -0.00 0.00 0.00 31.44 32.44 3h1c n GLU 320 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 3h1c h LYS 321 N 0.00 0.00 -0.00 3.44 2.10 -1.97 -3.22 116.57 116.92 3h1c h LYS 321 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 3h1c h LYS 321 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 3h1c h LYS 321 CO 0.23 0.23 -0.27 -0.40 -2.00 0.00 0.00 179.45 177.25 3h1c n ASP 322 N -3.58 0.41 -4.75 7.07 5.75 -1.26 -2.22 116.55 117.97 3h1c n ASP 322 Ca -0.01 -0.70 -0.41 0.00 -0.01 0.00 0.00 54.79 53.66 3h1c n ASP 322 Cb 0.37 0.91 -0.04 0.00 -1.03 0.00 0.00 41.12 41.34 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 -1.50 4.52 0.20 0.11 -1.94 -1.22 -4.79 119.30 114.69 3h1c s MET 323 Ca 0.03 1.90 0.09 0.00 -1.71 0.00 0.00 55.69 56.00 3h1c s MET 323 Cb 0.05 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 3h1c s MET 323 CO 0.24 -0.00 -0.04 0.96 -0.01 0.00 0.00 175.02 176.16 3h1c s ILE 324 N -0.57 3.41 0.92 2.53 -4.36 -1.26 -4.67 121.20 117.19 3h1c s ILE 324 Ca 0.50 -1.67 -0.12 0.00 -0.26 0.00 0.00 60.65 59.10 3h1c s ILE 324 Cb -0.33 -2.74 0.14 0.00 1.25 0.00 0.00 42.46 40.78 3h1c s ILE 324 CO 0.40 -0.19 1.09 -0.13 0.24 0.00 0.00 174.94 176.36 3h1c s ARG 325 N -3.11 1.08 0.56 0.37 0.52 -1.26 -5.00 118.95 112.12 3h1c s ARG 325 Ca 0.27 0.87 -0.20 0.00 -0.52 0.00 0.00 55.73 56.16 3h1c s ARG 325 Cb -0.08 -1.78 -0.05 0.00 0.52 0.00 0.00 34.95 33.56 3h1c s ARG 325 CO 0.17 -2.37 1.20 0.20 0.02 0.00 0.00 175.30 174.52 3h1c s GLY 326 N -3.30 2.74 0.02 -3.53 0.00 -1.26 -4.78 107.32 97.20 3h1c s GLY 326 Ca 0.64 0.99 0.07 0.00 0.00 0.00 0.00 44.72 46.43 3h1c s GLY 326 CO 0.58 1.39 -0.21 1.08 0.00 0.00 0.00 173.10 175.94 3h1c s LEU 327 N -3.86 2.42 -0.27 0.66 1.43 -1.26 -1.53 118.68 116.26 3h1c s LEU 327 Ca 0.75 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 3h1c s LEU 327 Cb -0.30 -1.43 0.09 0.00 0.03 0.00 0.00 46.19 44.58 3h1c s LEU 327 CO 0.33 0.28 0.09 -0.62 0.23 0.00 0.00 176.35 176.65 3h1c s ASP 328 N -1.18 3.59 -0.27 2.29 2.15 -0.62 -5.02 116.67 117.61 3h1c s ASP 328 Ca 0.13 -1.32 -0.11 0.00 0.43 0.00 0.00 52.55 51.68 3h1c s ASP 328 Cb -0.10 -0.66 -0.05 0.00 -0.30 0.00 0.00 42.92 41.80 3h1c s ASP 328 CO 0.03 -0.39 0.20 -0.69 -0.17 0.00 0.00 175.17 174.15 3h1c s VAL 329 N 1.80 5.31 -0.03 1.11 1.01 -1.26 -1.37 120.40 126.97 3h1c s VAL 329 Ca 0.06 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3h1c s VAL 329 Cb -0.17 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3h1c s VAL 329 CO -0.23 0.27 -0.12 -0.13 0.00 0.00 0.00 175.10 174.90 3h1c s ARG 330 N 1.56 1.18 -0.02 2.72 0.52 -0.38 -5.02 118.95 119.51 3h1c s ARG 330 Ca 0.08 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 3h1c s ARG 330 Cb -0.15 -1.08 -0.00 0.00 0.52 0.00 0.00 34.95 34.24 3h1c s ARG 330 CO 0.09 0.16 -0.11 0.99 0.02 0.00 0.00 175.30 176.46 3h1c s THR 331 N 0.10 0.90 0.00 0.02 2.01 -1.26 -0.68 115.64 116.72 3h1c s THR 331 Ca -0.02 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.54 3h1c s THR 331 Cb -0.09 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.64 3h1c s THR 331 CO 0.01 0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 3h1c n GLY 332 N 3.13 0.65 0.06 4.40 0.00 -1.17 -5.02 105.19 107.25 3h1c n GLY 332 Ca -0.17 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 3h1c n GLY 332 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h1c h VAL 333 N 0.00 0.84 -3.17 1.61 2.07 -1.90 -3.47 116.25 112.23 3h1c h VAL 333 Ca 0.00 -1.67 -0.58 0.00 0.82 0.00 0.00 66.70 65.27 3h1c h VAL 333 Cb 0.91 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 3h1c h VAL 333 CO 0.00 0.28 -0.10 -0.76 0.02 0.00 0.00 177.57 177.01 3h1c s LEU 334 N -8.33 4.48 -0.03 2.57 1.43 -1.26 -5.03 118.68 112.51 3h1c s LEU 334 Ca -0.12 1.13 -0.22 0.00 -1.03 0.00 0.00 54.13 53.89 3h1c s LEU 334 Cb -0.01 -2.85 -0.26 0.00 0.03 0.00 0.00 46.19 43.10 3h1c s LEU 334 CO 0.36 0.27 0.99 1.55 0.23 0.00 0.00 176.35 179.75 3h1c h PRO 335 N 4.43 0.30 -0.02 1.29 0.13 -2.03 -3.38 132.00 132.72 3h1c h PRO 335 Ca -0.50 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 3h1c h PRO 335 Cb 1.21 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3h1c h PRO 335 CO 0.63 1.10 -0.21 0.54 -0.23 0.00 0.00 178.00 179.84 3h1c n ARG 336 N -4.27 1.74 -2.09 0.86 1.74 -1.26 -4.94 116.66 108.44 3h1c n ARG 336 Ca -0.11 -1.40 -0.27 0.00 -0.77 0.00 0.00 57.85 55.30 3h1c n ARG 336 Cb 0.67 -1.47 0.07 0.00 -1.02 0.00 0.00 32.46 30.71 3h1c n ARG 336 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3h1c s THR 337 N -2.22 2.41 0.02 0.55 -1.32 -1.26 -5.02 115.64 108.80 3h1c s THR 337 Ca 0.25 -0.09 -0.20 0.00 -1.21 0.00 0.00 61.69 60.44 3h1c s THR 337 Cb 0.19 -3.08 -0.18 0.00 -1.51 0.00 0.00 72.50 67.92 3h1c s THR 337 CO 0.43 -0.10 1.22 0.45 -2.21 0.00 0.00 174.62 174.41 3h1c h HIS 338 N -0.72 0.55 -2.52 9.09 3.86 -1.92 -3.46 115.15 120.02 3h1c h HIS 338 Ca -0.45 -0.23 -0.09 0.00 -1.16 0.00 0.00 60.37 58.44 3h1c h HIS 338 Cb 1.31 -0.09 -0.25 0.00 1.06 0.00 0.00 27.41 29.44 3h1c h HIS 338 CO 0.35 0.97 -0.21 0.20 0.86 0.00 0.00 177.93 180.11 3h1c s GLY 339 N -3.79 -0.38 0.14 2.45 0.00 -1.14 -3.91 107.32 100.69 3h1c s GLY 339 Ca -0.14 1.63 0.10 0.00 0.00 0.00 0.00 44.72 46.31 3h1c s GLY 339 CO 0.79 1.66 -0.23 -0.56 0.00 0.00 0.00 173.10 174.76 3h1c s SER 340 N 1.13 3.53 -0.17 1.64 0.01 -1.26 -1.36 113.70 117.22 3h1c s SER 340 Ca -0.07 -0.71 -0.08 0.00 1.31 0.00 0.00 55.95 56.40 3h1c s SER 340 Cb -0.07 -0.33 0.07 0.00 0.21 0.00 0.00 66.02 65.90 3h1c s SER 340 CO -0.10 0.17 0.39 0.00 0.41 0.00 0.00 173.24 174.10 3h1c s ALA 341 N -1.22 -1.00 -0.36 1.44 0.00 -0.11 -3.06 121.76 117.45 3h1c s ALA 341 Ca 0.17 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.56 3h1c s ALA 341 Cb -0.10 -1.07 0.10 0.00 0.00 0.00 0.00 23.12 22.05 3h1c s ALA 341 CO 0.08 -0.49 0.10 -1.17 0.00 0.00 0.00 175.76 174.27 3h1c s LEU 342 N 1.98 4.88 -0.33 0.00 2.96 0.14 -0.78 118.68 127.53 3h1c s LEU 342 Ca -0.05 -2.08 -0.00 0.00 -0.22 0.00 0.00 54.13 51.77 3h1c s LEU 342 Cb -0.10 -1.70 0.08 0.00 0.50 0.00 0.00 46.19 44.97 3h1c s LEU 342 CO -0.12 -0.43 0.05 0.12 -1.32 0.00 0.00 176.35 174.65 3h1c s PHE 343 N 0.99 3.44 -0.06 5.38 5.36 -1.23 -1.24 117.98 130.62 3h1c s PHE 343 Ca 0.09 -2.27 -0.02 0.00 -0.96 0.00 0.00 56.93 53.78 3h1c s PHE 343 Cb -0.20 -2.53 -0.04 0.00 -0.34 0.00 0.00 43.02 39.91 3h1c s PHE 343 CO -0.07 -0.88 0.04 0.99 -1.46 0.00 0.00 175.22 173.84 3h1c s THR 344 N 1.14 4.58 0.14 0.12 2.01 -0.47 -2.98 115.64 120.18 3h1c s THR 344 Ca 0.01 -0.26 0.10 0.00 0.31 0.00 0.00 61.69 61.85 3h1c s THR 344 Cb -0.20 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 3h1c s THR 344 CO -0.04 0.52 -0.23 -0.60 -0.69 0.00 0.00 174.62 173.58 3h1c s ARG 345 N -1.20 1.57 -0.40 4.92 3.52 -0.06 -1.59 118.95 125.70 3h1c s ARG 345 Ca 0.17 -1.31 -0.40 0.00 -0.13 0.00 0.00 55.73 54.05 3h1c s ARG 345 Cb -0.12 -1.97 -0.16 0.00 -1.56 0.00 0.00 34.95 31.14 3h1c s ARG 345 CO 0.06 0.45 2.04 0.41 -0.81 0.00 0.00 175.30 177.46 3h1c n GLY 346 N 0.75 0.31 2.61 8.12 0.00 -0.59 0.20 105.19 116.60 3h1c n GLY 346 Ca -0.16 1.01 0.00 0.00 0.00 0.00 0.00 46.02 46.86 3h1c n GLY 346 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h1c n GLU 347 N 7.08 -0.04 -3.45 1.61 -0.00 -1.26 -4.90 120.64 119.67 3h1c n GLU 347 Ca 0.42 0.01 -0.18 0.00 -0.00 0.00 0.00 57.16 57.41 3h1c n GLU 347 Cb 0.09 -2.81 -0.12 0.00 -0.00 0.00 0.00 31.44 28.61 3h1c n GLU 347 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3h1c s THR 348 N -3.04 -0.35 0.09 3.84 2.01 0.13 -3.36 115.64 114.97 3h1c s THR 348 Ca 0.00 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 61.78 3h1c s THR 348 Cb 0.00 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 3h1c s THR 348 CO 0.00 -0.34 -0.20 0.00 -0.69 0.00 0.00 174.62 173.39 3h1c s GLN 349 N 2.34 1.10 -0.11 4.92 -2.07 -0.98 -0.88 119.66 123.97 3h1c s GLN 349 Ca 0.08 -1.11 -0.02 0.00 -1.82 0.00 0.00 55.36 52.49 3h1c s GLN 349 Cb -0.15 -1.32 0.04 0.00 -1.09 0.00 0.00 33.01 30.49 3h1c s GLN 349 CO -0.22 0.31 0.04 0.00 -1.32 0.00 0.00 175.29 174.10 3h1c s ALA 350 N -1.14 0.63 -0.69 2.60 0.00 -1.16 -2.74 121.76 119.25 3h1c s ALA 350 Ca 0.05 -0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.51 3h1c s ALA 350 Cb -0.10 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3h1c s ALA 350 CO 0.04 -0.76 1.48 -1.17 0.00 0.00 0.00 175.76 175.35 3h1c s LEU 351 N 2.01 3.21 -0.19 0.00 2.96 0.26 -3.52 118.68 123.42 3h1c s LEU 351 Ca 0.03 -0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 3h1c s LEU 351 Cb -0.14 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 3h1c s LEU 351 CO -0.06 -2.03 0.08 -0.69 -1.32 0.00 0.00 176.35 172.34 3h1c s VAL 352 N 6.90 4.96 0.09 1.68 1.01 0.04 -0.91 120.40 134.18 3h1c s VAL 352 Ca 0.46 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.57 3h1c s VAL 352 Cb -0.10 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3h1c s VAL 352 CO 0.17 0.45 -0.25 0.42 0.00 0.00 0.00 175.10 175.89 3h1c s THR 353 N 0.42 2.02 0.03 3.92 -4.23 0.58 -0.93 115.64 117.45 3h1c s THR 353 Ca 0.05 -1.54 0.08 0.00 -1.18 0.00 0.00 61.69 59.10 3h1c s THR 353 Cb -0.12 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 3h1c s THR 353 CO -0.00 0.14 -0.22 0.00 -0.54 0.00 0.00 174.62 174.00 3h1c s ALA 354 N -0.98 2.40 -0.03 3.99 0.00 -0.47 -0.59 121.76 126.09 3h1c s ALA 354 Ca 0.11 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.87 3h1c s ALA 354 Cb -0.10 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.42 3h1c s ALA 354 CO 0.04 0.55 -0.04 0.99 0.00 0.00 0.00 175.76 177.30 3h1c s THR 355 N -0.83 0.47 -0.01 0.00 2.01 0.89 -2.89 115.64 115.28 3h1c s THR 355 Ca 0.13 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 3h1c s THR 355 Cb -0.10 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 3h1c s THR 355 CO 0.03 0.19 0.10 -0.76 -0.69 0.00 0.00 174.62 173.49 3h1c s LEU 356 N 0.67 3.98 0.00 4.42 1.43 -1.26 -0.58 118.68 127.34 3h1c s LEU 356 Ca -0.08 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3h1c s LEU 356 Cb -0.12 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.80 3h1c s LEU 356 CO -0.00 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.47 3h1c n GLY 357 N 1.22 2.99 3.91 -3.19 0.00 -0.70 -5.00 105.19 104.42 3h1c n GLY 357 Ca -0.13 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 3h1c n GLY 357 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1c s THR 358 N -2.59 3.58 0.47 2.61 -4.23 -1.26 -2.86 115.64 111.37 3h1c s THR 358 Ca 0.00 -1.23 0.37 0.00 -1.18 0.00 0.00 61.69 59.66 3h1c s THR 358 Cb 0.00 -3.23 0.37 0.00 1.34 0.00 0.00 72.50 70.99 3h1c s THR 358 CO 0.00 -0.14 2.14 0.00 -0.54 0.00 0.00 174.62 176.08 3h1c h ALA 359 N 1.08 1.05 -0.03 3.99 0.00 -1.96 -0.47 119.26 122.93 3h1c h ALA 359 Ca -0.44 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 3h1c h ALA 359 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3h1c h ALA 359 CO 0.56 -0.05 -0.49 -0.09 0.00 0.00 0.00 179.25 179.18 3h1c h ARG 360 N 0.00 0.07 0.00 0.00 2.43 -2.02 -3.12 114.38 111.73 3h1c h ARG 360 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3h1c h ARG 360 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3h1c h ARG 360 CO 0.00 0.54 0.00 -0.25 -1.51 0.00 0.00 179.97 178.75 3h1c n ASP 361 N -3.95 0.00 -4.76 -3.80 8.00 -0.18 -4.83 116.55 107.02 3h1c n ASP 361 Ca -0.02 0.33 -0.40 0.00 0.71 0.00 0.00 54.79 55.41 3h1c n ASP 361 Cb 0.52 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.87 3.44 0.31 2.24 0.00 -1.18 -5.01 121.76 118.68 3h1c s ALA 362 Ca 0.16 1.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.88 3h1c s ALA 362 Cb 0.16 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 3h1c s ALA 362 CO 0.43 -0.35 1.00 1.14 0.00 0.00 0.00 175.76 177.98 3h1c s GLN 363 N -1.45 4.58 -0.66 0.00 -2.07 -1.24 -4.93 119.66 113.89 3h1c s GLN 363 Ca 0.47 1.51 -0.16 0.00 -1.82 0.00 0.00 55.36 55.36 3h1c s GLN 363 Cb -0.35 -2.95 0.16 0.00 -1.09 0.00 0.00 33.01 28.77 3h1c s GLN 363 CO 0.45 0.24 0.64 0.08 -1.32 0.00 0.00 175.29 175.39 3h1c s VAL 364 N -1.42 5.26 -0.22 3.63 1.01 -1.26 -2.85 120.40 124.56 3h1c s VAL 364 Ca 0.48 -1.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 3h1c s VAL 364 Cb -0.24 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.70 3h1c s VAL 364 CO 0.30 -0.99 1.35 -0.76 0.00 0.00 0.00 175.10 175.01 3h1c s LEU 365 N 1.34 4.04 -1.30 3.92 1.43 -0.58 -4.92 118.68 122.61 3h1c s LEU 365 Ca 0.10 1.54 -0.10 0.00 -1.03 0.00 0.00 54.13 54.64 3h1c s LEU 365 Cb -0.22 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.62 3h1c s LEU 365 CO -0.01 -0.96 1.91 -0.67 0.23 0.00 0.00 176.35 176.85 3h1c n ASP 366 N 7.28 4.92 -4.84 2.29 2.03 -1.26 -2.18 116.55 124.79 3h1c n ASP 366 Ca 0.15 -3.07 -0.30 0.00 0.52 0.00 0.00 54.79 52.10 3h1c n ASP 366 Cb 0.45 -1.51 0.09 0.00 -0.72 0.00 0.00 41.12 39.43 3h1c n ASP 366 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3h1c s GLU 367 N 0.83 2.11 0.26 -0.67 2.12 -1.21 -4.98 118.70 117.17 3h1c s GLU 367 Ca 0.41 0.45 -0.03 0.00 0.36 0.00 0.00 54.97 56.15 3h1c s GLU 367 Cb 0.10 -1.94 0.33 0.00 0.26 0.00 0.00 34.13 32.88 3h1c s GLU 367 CO -0.01 -1.56 1.80 1.25 -0.54 0.00 0.00 175.26 176.20 3h1c h LEU 368 N -1.04 0.86 -6.86 2.70 5.85 -1.99 -3.25 115.31 111.58 3h1c h LEU 368 Ca -0.47 -0.16 -0.80 0.00 0.84 0.00 0.00 57.88 57.29 3h1c h LEU 368 Cb 1.29 -0.22 -0.25 0.00 0.37 0.00 0.00 40.66 41.84 3h1c h LEU 368 CO 0.62 0.83 1.02 0.23 -0.34 0.00 0.00 178.44 180.80 3h1c n MET 369 N -4.26 4.27 -0.44 1.25 2.81 -1.26 -4.89 117.12 114.61 3h1c n MET 369 Ca 0.04 -4.35 0.06 0.00 -1.81 0.00 0.00 57.70 51.64 3h1c n MET 369 Cb 0.23 -2.60 -0.02 0.00 -0.71 0.00 0.00 33.22 30.13 3h1c n MET 369 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h1c n GLY 370 N 1.68 -1.81 3.92 3.03 0.00 -1.23 -4.91 105.19 105.88 3h1c n GLY 370 Ca 0.29 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 3h1c n GLY 370 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1c s GLU 371 N -1.88 1.57 -0.26 1.61 2.02 -1.26 -3.32 118.70 117.18 3h1c s GLU 371 Ca 0.00 -0.22 -0.31 0.00 0.02 0.00 0.00 54.97 54.46 3h1c s GLU 371 Cb 0.00 -1.99 0.17 0.00 0.10 0.00 0.00 34.13 32.42 3h1c s GLU 371 CO 0.00 -1.78 1.29 0.50 0.02 0.00 0.00 175.26 175.30 3h1c s ARG 372 N -5.58 0.16 -0.20 1.61 3.52 -0.92 -4.89 118.95 112.64 3h1c s ARG 372 Ca 0.66 0.02 -0.06 0.00 -0.13 0.00 0.00 55.73 56.21 3h1c s ARG 372 Cb -0.08 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.35 3h1c s ARG 372 CO 0.49 -0.05 0.04 -0.08 -0.81 0.00 0.00 175.30 174.89 3h1c s THR 373 N -1.28 4.41 -0.32 4.11 -1.32 -1.26 -1.52 115.64 118.47 3h1c s THR 373 Ca 0.08 -0.16 -0.07 0.00 -1.21 0.00 0.00 61.69 60.33 3h1c s THR 373 Cb -0.01 -3.00 0.02 0.00 -1.51 0.00 0.00 72.50 68.00 3h1c s THR 373 CO -0.06 0.43 0.09 -0.62 -2.21 0.00 0.00 174.62 172.26 3h1c s ASP 374 N 0.76 5.22 -0.13 8.08 2.15 -1.13 -4.97 116.67 126.63 3h1c s ASP 374 Ca 0.02 -0.90 -0.25 0.00 0.43 0.00 0.00 52.55 51.85 3h1c s ASP 374 Cb -0.14 -1.88 -0.26 0.00 -0.30 0.00 0.00 42.92 40.35 3h1c s ASP 374 CO 0.02 -0.25 0.67 0.74 -0.17 0.00 0.00 175.17 176.17 3h1c h THR 375 N 6.00 1.52 -3.37 1.71 2.02 -1.95 -3.30 112.91 115.53 3h1c h THR 375 Ca -0.28 -2.35 -0.60 0.00 0.77 0.00 0.00 66.41 63.95 3h1c h THR 375 Cb 1.11 3.08 -0.10 0.00 -1.74 0.00 0.00 68.15 70.50 3h1c h THR 375 CO 0.61 0.58 0.32 0.12 0.37 0.00 0.00 175.52 177.52 3h1c s PHE 376 N -2.30 3.31 -0.15 3.16 5.36 -1.26 -3.08 117.98 123.00 3h1c s PHE 376 Ca -0.20 1.00 -0.01 0.00 -0.96 0.00 0.00 56.93 56.75 3h1c s PHE 376 Cb -0.00 -2.95 -0.01 0.00 -0.34 0.00 0.00 43.02 39.72 3h1c s PHE 376 CO 0.70 -0.35 -0.10 -0.51 -1.46 0.00 0.00 175.22 173.50 3h1c s LEU 377 N 2.63 2.81 -0.10 6.12 1.43 -0.17 -5.02 118.68 126.37 3h1c s LEU 377 Ca 0.31 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3h1c s LEU 377 Cb -0.15 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3h1c s LEU 377 CO 0.08 0.13 -0.15 0.12 0.23 0.00 0.00 176.35 176.76 3h1c s PHE 378 N 0.58 1.93 -0.07 0.29 5.36 -1.26 0.25 117.98 125.06 3h1c s PHE 378 Ca -0.06 -0.87 0.05 0.00 -0.96 0.00 0.00 56.93 55.08 3h1c s PHE 378 Cb -0.15 -1.39 -0.00 0.00 -0.34 0.00 0.00 43.02 41.14 3h1c s PHE 378 CO 0.03 -0.45 -0.22 -1.01 -1.46 0.00 0.00 175.22 172.12 3h1c s HIS 379 N 0.91 2.20 -0.11 10.12 3.76 0.20 -4.81 115.29 127.56 3h1c s HIS 379 Ca -0.08 -0.74 0.01 0.00 -0.15 0.00 0.00 55.06 54.09 3h1c s HIS 379 Cb -0.15 -1.47 -0.02 0.00 1.11 0.00 0.00 32.58 32.05 3h1c s HIS 379 CO -0.00 -0.26 -0.13 -0.47 -0.85 0.00 0.00 174.74 173.02 3h1c s TYR 380 N 0.10 2.80 -0.10 1.40 5.04 -1.26 -0.63 117.35 124.70 3h1c s TYR 380 Ca -0.09 -0.51 -0.00 0.00 -2.44 0.00 0.00 57.07 54.03 3h1c s TYR 380 Cb -0.15 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.39 3h1c s TYR 380 CO 0.05 -0.10 -0.07 -0.80 -1.34 0.00 0.00 175.55 173.28 3h1c s ASN 381 N 0.09 2.00 -0.57 4.32 0.01 -0.84 -4.80 114.94 115.15 3h1c s ASN 381 Ca -0.05 -0.26 0.01 0.00 -0.71 0.00 0.00 52.86 51.84 3h1c s ASN 381 Cb -0.15 -0.77 0.14 0.00 0.41 0.00 0.00 41.25 40.89 3h1c s ASN 381 CO 0.04 -0.11 0.34 0.12 -1.51 0.00 0.00 177.10 175.99 3h1c s PHE 382 N 1.60 3.30 0.62 2.20 5.36 -1.26 -3.13 117.98 126.66 3h1c s PHE 382 Ca 0.02 -2.96 -0.13 0.00 -0.96 0.00 0.00 56.93 52.90 3h1c s PHE 382 Cb -0.13 -3.00 -0.03 0.00 -0.34 0.00 0.00 43.02 39.53 3h1c s PHE 382 CO -0.06 -0.79 1.04 -2.14 -1.46 0.00 0.00 175.22 171.81 3h1c s PRO 383 N -0.18 3.30 0.52 10.12 0.02 -1.26 -4.97 135.00 142.55 3h1c s PRO 383 Ca 0.17 1.02 0.29 0.00 0.02 0.00 0.00 61.00 62.49 3h1c s PRO 383 Cb -0.23 -2.04 1.38 0.00 0.02 0.00 0.00 34.50 33.63 3h1c s PRO 383 CO -0.02 -0.81 2.02 -1.00 -0.33 0.00 0.00 177.00 176.86 3h1c h PRO 384 N -0.03 0.00 0.00 5.54 0.13 -1.93 -2.95 132.00 132.76 3h1c h PRO 384 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3h1c h PRO 384 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3h1c h PRO 384 CO 0.58 0.12 0.00 2.48 -0.23 0.00 0.00 178.00 180.95 3h1c n TYR 385 N -3.44 0.00 -0.20 1.56 4.11 -1.25 -1.85 117.16 116.09 3h1c n TYR 385 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.81 3h1c n TYR 385 Cb 0.29 -0.43 0.05 0.00 -0.00 0.00 0.00 39.34 39.24 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 1.02 0.79 9.48 4.64 -1.66 -3.07 113.55 124.74 3h1c h SER 386 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3h1c h SER 386 Cb 0.35 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3h1c h SER 386 CO 0.00 1.07 -1.20 1.33 -0.87 0.00 0.00 176.83 177.16 3h1c n VAL 387 N -4.18 0.49 -0.40 0.95 0.24 -1.22 -1.89 118.33 112.33 3h1c n VAL 387 Ca 0.03 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 3h1c n VAL 387 Cb 0.34 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 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 1.20 0.98 3.39 7.63 0.00 -1.16 -5.01 105.19 112.22 3h1c n GLY 388 Ca -0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 3h1c n GLY 388 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1c s GLU 389 N -0.78 1.70 -0.07 1.61 2.02 -0.77 -5.01 118.70 117.39 3h1c s GLU 389 Ca 0.00 -1.99 0.01 0.00 0.02 0.00 0.00 54.97 53.01 3h1c s GLU 389 Cb 0.00 -0.27 -0.03 0.00 0.10 0.00 0.00 34.13 33.94 3h1c s GLU 389 CO 0.00 -0.45 -0.07 0.95 0.02 0.00 0.00 175.26 175.71 3h1c s THR 390 N -3.47 3.69 0.37 3.63 -4.23 -1.26 -3.76 115.64 110.61 3h1c s THR 390 Ca 0.33 -0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 60.23 3h1c s THR 390 Cb 0.04 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.41 3h1c s THR 390 CO 0.17 0.59 0.70 -0.83 -0.54 0.00 0.00 174.62 174.72 3h1c s GLY 391 N -0.75 0.62 -0.14 3.99 0.00 -1.26 -5.04 107.32 104.73 3h1c s GLY 391 Ca 0.11 -0.92 -0.17 0.00 0.00 0.00 0.00 44.72 43.75 3h1c s GLY 391 CO 0.02 -0.47 0.41 -0.29 0.00 0.00 0.00 173.10 172.76 3h1c s MET 392 N -2.61 4.29 -0.18 2.90 1.75 -1.26 -4.96 119.30 119.23 3h1c s MET 392 Ca 0.19 0.31 -0.04 0.00 -1.25 0.00 0.00 55.69 54.90 3h1c s MET 392 Cb -0.04 -3.45 -0.02 0.00 2.84 0.00 0.00 34.83 34.16 3h1c s MET 392 CO 0.13 0.15 -0.03 0.08 -0.65 0.00 0.00 175.02 174.70 3h1c s VAL 393 N 0.69 3.78 0.00 10.11 1.01 -1.26 -4.93 120.40 129.80 3h1c s VAL 393 Ca 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3h1c s VAL 393 Cb -0.14 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3h1c s VAL 393 CO 0.08 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3h1c n GLY 394 N 3.94 -1.74 3.73 4.51 0.00 -1.26 -5.13 105.19 109.24 3h1c n GLY 394 Ca -0.17 0.77 -0.41 0.00 0.00 0.00 0.00 46.02 46.21 3h1c n GLY 394 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h1c s SER 395 N 2.00 7.43 0.56 1.61 0.15 -1.26 -5.03 113.70 119.16 3h1c s SER 395 Ca 0.00 1.71 -0.20 0.00 0.70 0.00 0.00 55.95 58.16 3h1c s SER 395 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 3h1c s SER 395 CO 0.00 -0.04 1.25 -2.16 1.20 0.00 0.00 173.24 173.49 3h1c s PRO 396 N -0.04 3.10 0.52 5.44 0.04 -1.26 -5.03 135.00 137.77 3h1c s PRO 396 Ca 0.45 1.96 0.09 0.00 0.04 0.00 0.00 61.00 63.53 3h1c s PRO 396 Cb -0.23 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.29 3h1c s PRO 396 CO 0.28 -1.14 0.72 0.15 0.04 0.00 0.00 177.00 177.05 3h1c s LYS 397 N -3.12 2.49 0.45 4.56 1.02 -1.26 -4.95 119.74 118.93 3h1c s LYS 397 Ca 0.74 -1.50 0.20 0.00 0.02 0.00 0.00 55.97 55.43 3h1c s LYS 397 Cb -0.34 -2.69 1.06 0.00 -0.52 0.00 0.00 37.83 35.35 3h1c s LYS 397 CO 0.38 -0.66 1.94 0.00 -0.92 0.00 0.00 175.35 176.09 3h1c h ARG 398 N 0.34 0.00 0.12 1.68 3.08 -1.98 -2.24 114.38 115.37 3h1c h ARG 398 Ca -0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 3h1c h ARG 398 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3h1c h ARG 398 CO 0.42 0.23 -0.06 0.00 -1.07 0.00 0.00 179.97 179.50 3h1c h ARG 399 N 0.00 -0.15 0.00 0.04 2.47 -1.99 -2.74 114.38 112.01 3h1c h ARG 399 Ca -0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3h1c h ARG 399 Cb 0.51 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 3h1c h ARG 399 CO 0.03 0.33 0.00 -0.85 0.56 0.00 0.00 179.97 180.04 3h1c n GLU 400 N -4.86 0.82 -0.08 0.04 0.28 -1.18 -3.43 120.64 112.22 3h1c n GLU 400 Ca -0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.79 3h1c n GLU 400 Cb 0.27 -1.08 -0.05 0.00 1.43 0.00 0.00 31.44 32.02 3h1c n GLU 400 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 3h1c n ILE 401 N -0.58 1.40 0.91 3.84 3.06 -0.85 -4.19 119.36 122.95 3h1c n ILE 401 Ca 0.03 0.01 0.06 0.00 -2.50 0.00 0.00 62.75 60.35 3h1c n ILE 401 Cb 0.01 -2.09 0.34 0.00 0.54 0.00 0.00 39.64 38.44 3h1c n ILE 401 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3h1c n GLY 402 N 1.70 -0.46 0.04 4.50 0.00 -1.04 -0.12 105.19 109.81 3h1c n GLY 402 Ca -0.23 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 45.76 3h1c n GLY 402 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h1c n HIS 403 N -0.89 0.00 -0.11 1.61 8.25 -1.22 -3.16 115.22 119.69 3h1c n HIS 403 Ca 0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 3h1c n HIS 403 Cb 0.04 -0.63 -0.03 0.00 1.12 0.00 0.00 29.99 30.49 3h1c n HIS 403 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3h1c h GLY 404 N 3.91 0.77 1.73 -1.41 0.00 -0.69 -1.93 103.07 105.46 3h1c h GLY 404 Ca -0.16 -0.69 -0.15 0.00 0.00 0.00 0.00 47.33 46.33 3h1c h GLY 404 CO 0.01 0.63 -0.62 -0.09 0.00 0.00 0.00 176.54 176.47 3h1c h ARG 405 N 0.49 0.27 -0.34 4.80 9.65 -1.71 -2.34 114.38 125.20 3h1c h ARG 405 Ca 0.08 -0.19 0.03 0.00 -1.10 0.00 0.00 59.98 58.80 3h1c h ARG 405 Cb 0.70 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.28 3h1c h ARG 405 CO 0.05 0.81 0.14 1.25 2.80 0.00 0.00 179.97 185.02 3h1c h LEU 406 N 0.20 0.18 -0.51 3.80 6.46 -1.48 -1.28 115.31 122.68 3h1c h LEU 406 Ca -0.01 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 3h1c h LEU 406 Cb 1.14 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 3h1c h LEU 406 CO 0.10 0.14 -0.30 0.00 -0.62 0.00 0.00 178.44 177.76 3h1c h ALA 407 N 1.20 0.88 -0.22 1.25 0.00 -1.35 -3.16 119.26 117.85 3h1c h ALA 407 Ca 0.15 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3h1c h ALA 407 Cb 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h1c h ALA 407 CO -0.13 0.38 -0.49 -0.22 0.00 0.00 0.00 179.25 178.78 3h1c h LYS 408 N 0.00 0.60 0.00 0.00 3.64 -0.92 -3.20 116.57 116.69 3h1c h LYS 408 Ca -0.00 -0.35 -0.07 0.00 -1.27 0.00 0.00 60.65 58.96 3h1c h LYS 408 Cb 1.04 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 3h1c h LYS 408 CO 0.04 0.96 -0.32 0.00 -2.27 0.00 0.00 179.45 177.86 3h1c h ARG 409 N 0.48 0.00 0.00 1.90 3.08 -1.21 0.02 114.38 118.64 3h1c h ARG 409 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3h1c h ARG 409 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3h1c h ARG 409 CO 0.10 0.32 0.00 0.41 -1.07 0.00 0.00 179.97 179.72 3h1c n GLY 410 N -0.48 -1.60 0.04 0.04 0.00 -1.21 -3.79 105.19 98.19 3h1c n GLY 410 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 3h1c n GLY 410 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1c n VAL 411 N -2.16 0.52 -0.26 1.61 0.31 -0.99 -4.66 118.33 112.70 3h1c n VAL 411 Ca 0.05 -0.38 0.05 0.00 -0.01 0.00 0.00 64.34 64.05 3h1c n VAL 411 Cb 0.38 -0.51 0.28 0.00 -0.91 0.00 0.00 33.84 33.08 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 0.82 -1.01 7.52 5.85 -1.10 -0.25 115.31 127.14 3h1c h LEU 412 Ca -0.20 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3h1c h LEU 412 Cb 1.35 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 3h1c h LEU 412 CO 0.01 0.53 -0.08 0.00 -0.34 0.00 0.00 178.44 178.56 3h1c h ALA 413 N 1.54 0.99 0.11 1.25 0.00 -1.83 -3.27 119.26 118.06 3h1c h ALA 413 Ca 0.36 -0.07 -0.36 0.00 0.00 0.00 0.00 54.91 54.84 3h1c h ALA 413 Cb 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3h1c h ALA 413 CO -0.13 0.10 -2.00 0.28 0.00 0.00 0.00 179.25 177.50 3h1c n VAL 414 N -3.17 1.76 -1.64 0.00 0.31 -0.36 -4.90 118.33 110.32 3h1c n VAL 414 Ca 0.01 -0.67 -0.45 0.00 -0.01 0.00 0.00 64.34 63.23 3h1c n VAL 414 Cb 0.40 -1.65 -0.02 0.00 -0.91 0.00 0.00 33.84 31.66 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 -3.43 1.74 -1.43 5.55 2.00 -0.25 -2.90 117.12 118.40 3h1c n MET 415 Ca -0.31 0.62 -0.32 0.00 0.00 0.00 0.00 57.70 57.68 3h1c n MET 415 Cb 1.05 -2.15 0.08 0.00 0.00 0.00 0.00 33.22 32.20 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 -1.13 2.40 1.01 0.03 0.04 -1.26 -4.92 135.00 131.17 3h1c s PRO 416 Ca 0.63 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.81 3h1c s PRO 416 Cb -0.67 -1.91 0.21 0.00 0.04 0.00 0.00 34.50 32.17 3h1c s PRO 416 CO 0.56 -1.55 1.24 0.16 0.04 0.00 0.00 177.00 177.45 3h1c s ASP 417 N -2.97 2.65 0.22 6.66 1.47 -1.26 -4.89 116.67 118.55 3h1c s ASP 417 Ca 0.64 0.47 -0.02 0.00 1.18 0.00 0.00 52.55 54.83 3h1c s ASP 417 Cb -0.19 -0.66 0.22 0.00 -0.34 0.00 0.00 42.92 41.95 3h1c s ASP 417 CO 0.50 -3.04 1.61 0.24 0.68 0.00 0.00 175.17 175.16 3h1c h MET 418 N -1.85 0.62 -0.22 2.11 2.86 -1.97 -2.92 114.93 113.56 3h1c h MET 418 Ca -0.45 -0.29 -0.11 0.00 -2.06 0.00 0.00 59.70 56.79 3h1c h MET 418 Cb 1.27 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 3h1c h MET 418 CO 0.41 0.88 -0.32 -0.44 1.06 0.00 0.00 176.91 178.50 3h1c h ASP 419 N 0.52 0.46 0.02 1.22 3.32 -2.01 -3.04 116.42 116.92 3h1c h ASP 419 Ca 0.06 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 3h1c h ASP 419 Cb 0.84 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3h1c h ASP 419 CO 0.07 0.76 -0.55 0.50 -1.72 0.00 0.00 179.24 178.30 3h1c h LYS 420 N 0.38 0.05 -3.17 3.56 3.64 -1.96 -3.43 116.57 115.65 3h1c h LYS 420 Ca 0.05 -0.09 -0.61 0.00 -1.27 0.00 0.00 60.65 58.73 3h1c h LYS 420 Cb 0.76 0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.21 3h1c h LYS 420 CO 0.06 1.04 -0.73 0.12 -2.27 0.00 0.00 179.45 177.67 3h1c s PHE 421 N -2.30 2.08 -1.30 1.91 5.36 -1.11 -5.04 117.98 117.58 3h1c s PHE 421 Ca -0.21 -2.39 -0.09 0.00 -0.96 0.00 0.00 56.93 53.28 3h1c s PHE 421 Cb 0.00 -1.96 0.15 0.00 -0.34 0.00 0.00 43.02 40.87 3h1c s PHE 421 CO 0.68 -0.80 2.00 -0.35 -1.46 0.00 0.00 175.22 175.29 3h1c n PRO 422 N 3.75 3.77 -4.09 10.12 -0.04 -1.15 -4.54 135.00 142.81 3h1c n PRO 422 Ca 0.07 -3.46 -0.16 0.00 -0.04 0.00 0.00 63.50 59.90 3h1c n PRO 422 Cb 0.36 -2.88 -0.15 0.00 -0.04 0.00 0.00 33.50 30.79 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 0.23 0.42 -0.40 0.54 1.51 -1.26 -4.82 117.35 113.56 3h1c s TYR 423 Ca 0.43 -0.08 -0.29 0.00 -1.01 0.00 0.00 57.07 56.12 3h1c s TYR 423 Cb 0.11 -0.32 0.02 0.00 -0.11 0.00 0.00 41.96 41.67 3h1c s TYR 423 CO -0.02 -0.04 1.11 0.95 -1.11 0.00 0.00 175.55 176.44 3h1c s THR 424 N 0.17 4.36 -0.24 -0.71 -4.23 -1.13 -4.89 115.64 108.97 3h1c s THR 424 Ca -0.02 1.48 -0.10 0.00 -1.18 0.00 0.00 61.69 61.88 3h1c s THR 424 Cb -0.05 -4.51 -0.05 0.00 1.34 0.00 0.00 72.50 69.23 3h1c s THR 424 CO -0.00 -0.75 0.14 -0.69 -0.54 0.00 0.00 174.62 172.78 3h1c s VAL 425 N 4.05 5.11 -0.22 2.29 1.01 -1.18 -1.72 120.40 129.75 3h1c s VAL 425 Ca 0.47 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 3h1c s VAL 425 Cb -0.10 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3h1c s VAL 425 CO 0.24 0.34 0.00 -0.60 0.00 0.00 0.00 175.10 175.08 3h1c s ARG 426 N 1.17 3.55 -0.24 2.72 3.52 0.26 -1.00 118.95 128.93 3h1c s ARG 426 Ca 0.07 -0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 55.09 3h1c s ARG 426 Cb -0.14 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 3h1c s ARG 426 CO 0.05 -0.11 -0.03 0.08 -0.81 0.00 0.00 175.30 174.48 3h1c s VAL 427 N 1.31 3.29 -0.15 7.11 1.01 0.14 -0.08 120.40 133.04 3h1c s VAL 427 Ca 0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3h1c s VAL 427 Cb -0.15 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3h1c s VAL 427 CO 0.01 0.32 -0.06 -0.69 0.00 0.00 0.00 175.10 174.67 3h1c s VAL 428 N 1.44 3.65 -0.21 2.92 1.01 0.24 -0.63 120.40 128.82 3h1c s VAL 428 Ca 0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 3h1c s VAL 428 Cb -0.15 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 3h1c s VAL 428 CO -0.03 0.50 -0.02 -0.55 0.00 0.00 0.00 175.10 175.00 3h1c s SER 429 N 0.37 4.57 -0.19 3.32 0.15 0.20 -0.31 113.70 121.81 3h1c s SER 429 Ca -0.06 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 3h1c s SER 429 Cb -0.15 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 3h1c s SER 429 CO 0.04 0.03 -0.13 -1.61 1.20 0.00 0.00 173.24 172.76 3h1c s GLU 430 N 1.22 3.19 -0.18 5.44 0.41 -0.09 -1.98 118.70 126.71 3h1c s GLU 430 Ca 0.03 -0.73 -0.12 0.00 -0.41 0.00 0.00 54.97 53.74 3h1c s GLU 430 Cb -0.14 -2.75 -0.05 0.00 -1.78 0.00 0.00 34.13 29.41 3h1c s GLU 430 CO 0.00 -0.15 0.20 0.42 -0.49 0.00 0.00 175.26 175.24 3h1c s ILE 431 N 1.24 5.37 -0.05 -1.63 1.01 -1.19 0.92 121.20 126.87 3h1c s ILE 431 Ca 0.03 0.34 0.06 0.00 0.00 0.00 0.00 60.65 61.08 3h1c s ILE 431 Cb -0.14 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 3h1c s ILE 431 CO -0.06 0.42 0.06 0.35 0.00 0.00 0.00 174.94 175.71 3h1c n THR 432 N 3.49 0.35 -4.19 2.92 -2.24 -1.11 -4.49 114.28 109.01 3h1c n THR 432 Ca -0.14 -0.26 -0.17 0.00 -2.27 0.00 0.00 64.05 61.21 3h1c n THR 432 Cb 0.52 -0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.25 0.51 -0.13 -0.78 2.02 -1.20 -4.09 118.70 112.78 3h1c s GLU 433 Ca -0.03 -0.20 -0.03 0.00 0.02 0.00 0.00 54.97 54.73 3h1c s GLU 433 Cb 0.03 -0.50 0.05 0.00 0.10 0.00 0.00 34.13 33.80 3h1c s GLU 433 CO 0.28 0.11 0.05 0.45 0.02 0.00 0.00 175.26 176.17 3h1c s SER 434 N -0.02 2.08 0.00 -0.19 0.15 -0.79 -2.33 113.70 112.60 3h1c s SER 434 Ca 0.01 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.25 3h1c s SER 434 Cb -0.04 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 3h1c s SER 434 CO -0.00 -0.28 0.00 -3.20 1.20 0.00 0.00 173.24 170.95 3h1c n ASN 435 N 5.19 0.00 0.00 5.45 5.15 -1.21 -4.70 115.26 125.14 3h1c n ASN 435 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 3h1c n ASN 435 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 3h1c n ASN 435 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h1c n GLY 436 N 1.50 1.32 3.55 8.20 0.00 -1.26 -0.33 105.19 118.16 3h1c n GLY 436 Ca 0.00 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.00 6.35 0.39 1.61 0.15 -1.26 -4.82 113.70 115.13 3h1c s SER 437 Ca 0.00 -0.08 0.23 0.00 0.70 0.00 0.00 55.95 56.80 3h1c s SER 437 Cb 0.00 -2.30 0.30 0.00 -1.71 0.00 0.00 66.02 62.30 3h1c s SER 437 CO 0.00 -0.61 1.52 0.77 1.20 0.00 0.00 173.24 176.12 3h1c h SER 438 N 8.59 0.00 -0.23 5.45 4.64 -1.95 -2.85 113.55 127.19 3h1c h SER 438 Ca -0.27 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.93 3h1c h SER 438 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3h1c h SER 438 CO 0.83 0.00 -0.32 0.28 -0.87 0.00 0.00 176.83 176.76 3h1c h SER 439 N 0.00 0.69 0.79 4.97 0.02 -1.92 -2.58 113.55 115.51 3h1c h SER 439 Ca 0.00 -0.51 -0.15 0.00 -0.84 0.00 0.00 61.79 60.30 3h1c h SER 439 Cb 0.99 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 3h1c h SER 439 CO 0.00 1.06 -0.69 0.24 -1.14 0.00 0.00 176.83 176.30 3h1c h MET 440 N 0.33 0.00 0.00 3.45 2.86 -1.86 -2.99 114.93 116.71 3h1c h MET 440 Ca 0.03 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3h1c h MET 440 Cb 0.90 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3h1c h MET 440 CO 0.07 0.69 -0.42 0.00 1.06 0.00 0.00 176.91 178.32 3h1c h ALA 441 N 1.31 1.04 -0.05 6.32 0.00 -1.53 -2.93 119.26 123.42 3h1c h ALA 441 Ca -0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 3h1c h ALA 441 Cb 1.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3h1c h ALA 441 CO 0.09 0.52 -0.67 0.77 0.00 0.00 0.00 179.25 179.96 3h1c h SER 442 N 0.00 0.26 -0.34 0.00 0.02 -1.32 -2.22 113.55 109.96 3h1c h SER 442 Ca -0.00 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 3h1c h SER 442 Cb 0.89 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 3h1c h SER 442 CO 0.05 0.86 -0.18 0.58 -1.14 0.00 0.00 176.83 177.01 3h1c h VAL 443 N 0.16 1.29 -0.50 2.27 2.07 -1.44 -0.08 116.25 120.01 3h1c h VAL 443 Ca -0.02 -1.30 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 3h1c h VAL 443 Cb 1.21 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3h1c h VAL 443 CO 0.10 0.42 -0.02 0.00 0.02 0.00 0.00 177.57 178.10 3h1c h GLY 445 N 0.98 0.00 0.99 0.00 0.00 -1.30 -3.23 103.07 100.51 3h1c h GLY 445 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 3h1c h GLY 445 CO 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.42 3h1c h ALA 446 N 1.46 0.54 -0.22 3.60 0.00 -0.80 -1.89 119.26 121.94 3h1c h ALA 446 Ca -0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3h1c h ALA 446 Cb 1.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3h1c h ALA 446 CO 0.07 0.44 -0.16 1.03 0.00 0.00 0.00 179.25 180.63 3h1c h SER 447 N 0.58 0.37 0.81 0.00 0.87 -1.58 -1.32 113.55 113.28 3h1c h SER 447 Ca 0.09 -0.10 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 3h1c h SER 447 Cb 0.68 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 3h1c h SER 447 CO 0.05 0.56 -0.87 -0.07 -0.53 0.00 0.00 176.83 175.96 3h1c h LEU 448 N 0.35 0.05 -0.24 2.23 3.38 -1.56 -3.03 115.31 116.49 3h1c h LEU 448 Ca 0.06 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 3h1c h LEU 448 Cb 0.50 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3h1c h LEU 448 CO 0.03 0.89 -0.90 0.00 0.09 0.00 0.00 178.44 178.55 3h1c h ALA 449 N 1.10 0.45 -0.34 1.53 0.00 -1.01 -2.82 119.26 118.17 3h1c h ALA 449 Ca -0.02 -0.71 -0.17 0.00 0.00 0.00 0.00 54.91 54.01 3h1c h ALA 449 Cb 1.53 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3h1c h ALA 449 CO 0.12 0.86 -0.46 -0.07 0.00 0.00 0.00 179.25 179.69 3h1c h LEU 450 N 0.18 0.98 -0.96 0.00 3.38 -1.31 -2.14 115.31 115.44 3h1c h LEU 450 Ca -0.06 -0.48 -0.11 0.00 0.09 0.00 0.00 57.88 57.32 3h1c h LEU 450 Cb 1.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3h1c h LEU 450 CO 0.15 1.28 -0.52 0.24 0.09 0.00 0.00 178.44 179.68 3h1c h MET 451 N 0.71 0.01 -0.06 1.13 2.86 -1.60 0.14 114.93 118.13 3h1c h MET 451 Ca 0.04 -0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.47 3h1c h MET 451 Cb 1.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 3h1c h MET 451 CO 0.11 0.53 -0.80 0.22 1.06 0.00 0.00 176.91 178.02 3h1c h ASP 452 N 0.01 0.55 0.66 1.22 3.58 -1.44 -3.23 116.42 117.76 3h1c h ASP 452 Ca -0.00 -0.39 -0.17 0.00 0.42 0.00 0.00 57.03 56.89 3h1c h ASP 452 Cb 0.92 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 3h1c h ASP 452 CO 0.07 1.15 -0.76 0.00 -2.88 0.00 0.00 179.24 176.82 3h1c h ALA 453 N 0.83 0.72 0.00 -0.78 0.00 -1.27 -3.43 119.26 115.33 3h1c h ALA 453 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3h1c h ALA 453 Cb 1.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3h1c h ALA 453 CO 0.14 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.71 3h1c n GLY 454 N 0.64 1.14 3.58 0.00 0.00 -0.62 -4.89 105.19 105.04 3h1c n GLY 454 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 5.25 -1.18 1.61 1.01 0.40 -5.01 120.40 120.48 3h1c s VAL 455 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 3h1c s VAL 455 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3h1c s VAL 455 CO 0.00 0.14 1.91 -2.65 0.00 0.00 0.00 175.10 174.51 3h1c n PRO 456 N 5.18 2.25 -1.99 2.72 -0.02 -1.26 -4.47 135.00 137.41 3h1c n PRO 456 Ca -0.12 -2.62 -0.32 0.00 -2.02 0.00 0.00 63.50 58.43 3h1c n PRO 456 Cb 0.51 -3.44 0.01 0.00 -0.02 0.00 0.00 33.50 30.56 3h1c n PRO 456 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3h1c s ILE 457 N 6.68 4.32 0.04 4.25 -4.36 -1.26 -4.43 121.20 126.44 3h1c s ILE 457 Ca 0.59 0.92 -0.25 0.00 -0.26 0.00 0.00 60.65 61.65 3h1c s ILE 457 Cb 0.06 -3.62 -0.17 0.00 1.25 0.00 0.00 42.46 39.98 3h1c s ILE 457 CO 0.08 -0.82 1.50 0.11 0.24 0.00 0.00 174.94 176.06 3h1c h LYS 458 N 0.11 -0.21 -3.59 0.37 1.57 -1.88 -3.47 116.57 109.46 3h1c h LYS 458 Ca -0.45 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.28 3h1c h LYS 458 Cb 1.20 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 33.45 3h1c h LYS 458 CO 0.60 0.01 -0.13 0.00 -0.57 0.00 0.00 179.45 179.36 3h1c s ALA 459 N -5.41 -0.46 0.09 3.86 0.00 -1.26 -5.14 121.76 113.43 3h1c s ALA 459 Ca -0.15 -0.58 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 3h1c s ALA 459 Cb 0.04 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 23.97 3h1c s ALA 459 CO 0.63 -0.74 1.22 0.00 0.00 0.00 0.00 175.76 176.86 3h1c s ALA 460 N -3.93 3.42 -0.08 0.00 0.00 -1.26 -5.02 121.76 114.89 3h1c s ALA 460 Ca 0.14 0.89 0.03 0.00 0.00 0.00 0.00 51.96 53.02 3h1c s ALA 460 Cb 0.01 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3h1c s ALA 460 CO -0.00 -0.43 -0.18 0.54 0.00 0.00 0.00 175.76 175.68 3h1c s VAL 461 N 0.84 2.64 0.23 0.00 0.11 -1.26 -4.07 120.40 118.88 3h1c s VAL 461 Ca 0.58 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.82 3h1c s VAL 461 Cb -0.31 -2.03 -0.01 0.00 -1.53 0.00 0.00 36.38 32.50 3h1c s VAL 461 CO 0.31 0.56 0.24 0.00 -3.33 0.00 0.00 175.10 172.87 3h1c n ALA 462 N 3.02 0.23 0.00 1.54 0.00 -1.03 -4.29 120.51 119.97 3h1c n ALA 462 Ca -0.18 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.05 3h1c n ALA 462 Cb 0.52 0.98 0.00 0.00 0.00 0.00 0.00 19.45 20.96 3h1c n ALA 462 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1c n GLY 463 N -0.41 3.34 3.23 0.00 0.00 -1.26 -0.68 105.19 109.41 3h1c n GLY 463 Ca 0.03 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 3h1c n GLY 463 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h1c s ILE 464 N -2.00 0.05 0.05 -0.61 -4.36 -0.97 -4.57 121.20 108.79 3h1c s ILE 464 Ca 0.00 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 3h1c s ILE 464 Cb 0.00 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 41.15 3h1c s ILE 464 CO 0.00 0.00 0.27 0.00 0.24 0.00 0.00 174.94 175.45 3h1c s ALA 465 N -4.00 3.88 0.17 2.27 0.00 -1.26 -2.16 121.76 120.65 3h1c s ALA 465 Ca 0.39 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.79 3h1c s ALA 465 Cb 0.06 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 3h1c s ALA 465 CO 0.15 0.70 -0.09 -1.64 0.00 0.00 0.00 175.76 174.88 3h1c s MET 466 N -2.13 2.09 0.34 0.00 1.00 0.12 -2.41 119.30 118.30 3h1c s MET 466 Ca 0.32 -1.22 0.05 0.00 0.00 0.00 0.00 55.69 54.85 3h1c s MET 466 Cb -0.13 -2.20 -0.07 0.00 0.00 0.00 0.00 34.83 32.44 3h1c s MET 466 CO 0.21 0.45 0.02 0.20 0.00 0.00 0.00 175.02 175.90 3h1c s GLY 467 N -2.73 2.16 -0.07 -0.03 0.00 -0.71 -1.38 107.32 104.57 3h1c s GLY 467 Ca 0.24 -2.11 -0.07 0.00 0.00 0.00 0.00 44.72 42.79 3h1c s GLY 467 CO 0.15 -1.90 0.19 -2.27 0.00 0.00 0.00 173.10 169.27 3h1c s LEU 468 N -3.54 1.27 -0.45 0.66 2.96 -1.26 -0.83 118.68 117.48 3h1c s LEU 468 Ca 0.35 0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.68 3h1c s LEU 468 Cb 0.08 0.67 0.23 0.00 0.50 0.00 0.00 46.19 47.68 3h1c s LEU 468 CO 0.16 -0.09 0.52 0.52 -1.32 0.00 0.00 176.35 176.14 3h1c n VAL 469 N 2.86 -0.19 -4.36 1.68 0.31 -1.02 -2.67 118.33 114.93 3h1c n VAL 469 Ca -0.13 -4.13 -0.31 0.00 -0.01 0.00 0.00 64.34 59.75 3h1c n VAL 469 Cb 0.58 -1.93 -0.10 0.00 -0.91 0.00 0.00 33.84 31.48 3h1c n VAL 469 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3h1c s LYS 470 N -1.16 2.42 0.00 5.55 1.02 -1.26 -3.92 119.74 122.39 3h1c s LYS 470 Ca 0.35 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.51 3h1c s LYS 470 Cb 0.13 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 3h1c s LYS 470 CO -0.11 0.57 0.00 0.39 -0.92 0.00 0.00 175.35 175.27 3h1c n GLU 471 N 1.20 0.00 0.00 1.68 -0.58 -1.06 -5.00 120.64 116.88 3h1c n GLU 471 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 3h1c n GLU 471 Cb 0.52 -0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 3h1c n GLU 471 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h1c n GLY 472 N 2.67 -0.42 0.01 0.62 0.00 -1.26 -4.92 105.19 101.88 3h1c n GLY 472 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3h1c n GLY 472 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1c n ASP 473 N -1.71 3.42 -4.77 1.61 8.00 -1.26 -5.01 116.55 116.82 3h1c n ASP 473 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 3h1c n ASP 473 Cb 0.00 1.27 -0.06 0.00 -0.02 0.00 0.00 41.12 42.31 3h1c n ASP 473 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3h1c s ASN 474 N -2.87 7.21 0.01 -2.24 0.01 -1.26 -5.07 114.94 110.72 3h1c s ASN 474 Ca -0.03 1.43 -0.01 0.00 -0.71 0.00 0.00 52.86 53.55 3h1c s ASN 474 Cb 0.04 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.25 3h1c s ASN 474 CO 0.29 0.14 -0.01 -0.72 -1.51 0.00 0.00 177.10 175.29 3h1c s TYR 475 N -0.61 0.18 -0.08 2.20 1.13 -1.26 -2.55 117.35 116.35 3h1c s TYR 475 Ca 0.35 -0.36 0.00 0.00 -1.41 0.00 0.00 57.07 55.65 3h1c s TYR 475 Cb -0.21 -0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.54 3h1c s TYR 475 CO 0.22 -0.15 -0.08 0.08 -2.51 0.00 0.00 175.55 173.11 3h1c s VAL 476 N -1.10 0.92 -0.18 -3.49 1.01 -1.25 -4.97 120.40 111.34 3h1c s VAL 476 Ca -0.12 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 3h1c s VAL 476 Cb -0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3h1c s VAL 476 CO -0.01 0.33 0.50 -0.69 0.00 0.00 0.00 175.10 175.23 3h1c s VAL 477 N 1.31 5.13 0.03 2.92 1.01 -1.26 -2.43 120.40 127.11 3h1c s VAL 477 Ca -0.03 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.89 3h1c s VAL 477 Cb -0.14 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3h1c s VAL 477 CO -0.03 0.22 0.04 -0.76 0.00 0.00 0.00 175.10 174.57 3h1c s LEU 478 N 1.38 3.68 -0.12 3.92 1.02 -0.01 -4.58 118.68 123.98 3h1c s LEU 478 Ca 0.24 0.01 -0.01 0.00 0.02 0.00 0.00 54.13 54.39 3h1c s LEU 478 Cb -0.15 -2.23 -0.02 0.00 0.02 0.00 0.00 46.19 43.81 3h1c s LEU 478 CO 0.10 0.24 -0.09 -0.44 0.02 0.00 0.00 176.35 176.17 3h1c s SER 479 N -1.92 4.35 -0.57 2.29 0.01 -0.94 -1.73 113.70 115.20 3h1c s SER 479 Ca 0.24 -0.20 -0.16 0.00 1.31 0.00 0.00 55.95 57.13 3h1c s SER 479 Cb -0.12 -1.50 0.02 0.00 0.21 0.00 0.00 66.02 64.63 3h1c s SER 479 CO 0.15 0.22 0.64 -0.67 0.41 0.00 0.00 173.24 173.99 3h1c n ASP 480 N 3.17 -6.74 -4.83 2.44 2.03 -1.01 -4.67 116.55 106.94 3h1c n ASP 480 Ca -0.18 -0.03 -0.33 0.00 0.52 0.00 0.00 54.79 54.77 3h1c n ASP 480 Cb 0.53 -3.75 -0.07 0.00 -0.72 0.00 0.00 41.12 37.11 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 -2.44 4.43 0.92 5.18 -4.36 -1.24 -4.82 121.20 118.86 3h1c s ILE 481 Ca 0.19 1.41 -0.14 0.00 -0.26 0.00 0.00 60.65 61.85 3h1c s ILE 481 Cb -0.04 -3.62 0.21 0.00 1.25 0.00 0.00 42.46 40.27 3h1c s ILE 481 CO 0.82 -0.35 1.25 0.18 0.24 0.00 0.00 174.94 177.08 3h1c n LEU 482 N -0.73 0.00 0.19 0.37 4.32 -1.26 -4.27 117.00 115.62 3h1c n LEU 482 Ca 0.07 -1.53 0.04 0.00 -0.02 0.00 0.00 56.01 54.57 3h1c n LEU 482 Cb 0.54 -0.94 0.35 0.00 -1.62 0.00 0.00 43.42 41.75 3h1c n LEU 482 CO 0.38 -1.36 0.69 1.23 -1.22 0.00 0.00 177.39 177.11 3h1c h GLY 483 N -1.53 0.00 2.00 -0.72 0.00 -1.00 -2.28 103.07 99.54 3h1c h GLY 483 Ca -0.41 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 3h1c h GLY 483 CO 0.31 0.00 -0.31 -0.55 0.00 0.00 0.00 176.54 175.98 3h1c h ASP 484 N 0.00 0.00 0.29 0.19 3.32 -1.94 -2.60 116.42 115.68 3h1c h ASP 484 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h1c h ASP 484 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3h1c h ASP 484 CO 0.05 0.31 -0.48 -0.62 -1.72 0.00 0.00 179.24 176.79 3h1c n GLU 485 N -3.20 0.42 -0.12 3.56 1.02 -1.07 -3.04 120.64 118.20 3h1c n GLU 485 Ca 0.02 -0.27 -0.19 0.00 -0.02 0.00 0.00 57.16 56.70 3h1c n GLU 485 Cb 0.63 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.44 3h1c n GLU 485 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3h1c n ASP 486 N -1.05 1.99 0.03 1.62 2.03 -0.88 -3.10 116.55 117.19 3h1c n ASP 486 Ca 0.08 -0.05 -0.15 0.00 0.52 0.00 0.00 54.79 55.19 3h1c n ASP 486 Cb 0.35 -0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 40.21 3h1c n ASP 486 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 3h1c h HIS 487 N -0.09 0.81 -0.29 -0.67 3.86 -1.63 -3.24 115.15 113.90 3h1c h HIS 487 Ca -0.57 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 58.25 3h1c h HIS 487 Cb 1.88 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 30.24 3h1c h HIS 487 CO 0.03 1.19 0.00 1.28 0.86 0.00 0.00 177.93 181.29 3h1c n LEU 488 N -3.85 3.21 0.00 2.43 4.77 -1.17 -4.94 117.00 117.44 3h1c n LEU 488 Ca -0.07 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 3h1c n LEU 488 Cb 0.77 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3h1c n LEU 488 CO 0.51 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 3h1c n GLY 489 N 1.45 0.99 0.00 -0.72 0.00 -1.18 -4.92 105.19 100.81 3h1c n GLY 489 Ca 0.18 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 1.36 -3.64 1.61 8.00 -1.09 -5.01 116.55 117.78 3h1c n ASP 490 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 3h1c n ASP 490 Cb 0.00 0.14 -0.07 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.27 0.86 -0.84 -1.24 0.23 -1.26 -1.11 119.30 114.67 3h1c s MET 491 Ca 0.00 0.01 -0.08 0.00 -1.03 0.00 0.00 55.69 54.59 3h1c s MET 491 Cb 0.00 0.40 0.21 0.00 -1.53 0.00 0.00 34.83 33.91 3h1c s MET 491 CO 0.00 -0.26 0.74 0.34 -2.03 0.00 0.00 175.02 173.82 3h1c s ASP 492 N -1.29 6.33 -1.19 -1.18 -1.08 -0.99 -4.36 116.67 112.90 3h1c s ASP 492 Ca -0.12 -3.07 -0.15 0.00 -0.52 0.00 0.00 52.55 48.70 3h1c s ASP 492 Cb -0.03 -2.07 0.16 0.00 -1.46 0.00 0.00 42.92 39.52 3h1c s ASP 492 CO 0.07 -0.40 1.45 0.12 0.52 0.00 0.00 175.17 176.92 3h1c s PHE 493 N -0.40 3.38 -0.15 -5.34 5.36 -0.48 -2.93 117.98 117.43 3h1c s PHE 493 Ca 0.21 -2.01 -0.24 0.00 -0.96 0.00 0.00 56.93 53.93 3h1c s PHE 493 Cb -0.12 -4.37 -0.02 0.00 -0.34 0.00 0.00 43.02 38.17 3h1c s PHE 493 CO -0.08 -1.45 0.78 0.15 -1.46 0.00 0.00 175.22 173.15 3h1c s LYS 494 N 1.99 4.32 -0.08 10.12 1.02 0.04 0.11 119.74 137.26 3h1c s LYS 494 Ca 0.43 0.94 0.01 0.00 0.02 0.00 0.00 55.97 57.37 3h1c s LYS 494 Cb -0.02 -3.54 0.02 0.00 -0.52 0.00 0.00 37.83 33.76 3h1c s LYS 494 CO 0.00 -0.22 -0.10 0.08 -0.92 0.00 0.00 175.35 174.20 3h1c s VAL 495 N 1.78 1.04 -0.05 3.17 1.01 -0.92 -0.75 120.40 125.68 3h1c s VAL 495 Ca 0.37 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3h1c s VAL 495 Cb -0.17 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.23 3h1c s VAL 495 CO 0.14 0.35 -0.06 0.00 0.00 0.00 0.00 175.10 175.53 3h1c s ALA 496 N 1.11 0.78 -0.04 5.51 0.00 0.58 -2.28 121.76 127.42 3h1c s ALA 496 Ca -0.06 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.47 3h1c s ALA 496 Cb -0.14 -0.45 0.12 0.00 0.00 0.00 0.00 23.12 22.65 3h1c s ALA 496 CO -0.01 0.00 1.24 0.20 0.00 0.00 0.00 175.76 177.19 3h1c s GLY 497 N 0.88 -0.38 0.00 0.00 0.00 0.15 0.34 107.32 108.31 3h1c s GLY 497 Ca -0.12 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.47 3h1c s GLY 497 CO 0.01 0.21 0.00 -1.14 0.00 0.00 0.00 173.10 172.17 3h1c n SER 498 N -0.40 0.00 0.05 1.64 3.41 -0.57 -2.47 113.62 115.27 3h1c n SER 498 Ca -0.06 -0.25 -0.05 0.00 -0.26 0.00 0.00 58.87 58.24 3h1c n SER 498 Cb 0.62 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.71 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 0.38 0.00 4.33 2.43 -1.97 -3.37 114.38 116.18 3h1c h ARG 499 Ca 0.00 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.85 3h1c h ARG 499 Cb 0.00 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3h1c h ARG 499 CO 0.00 0.77 -0.88 -0.25 -1.51 0.00 0.00 179.97 178.10 3h1c n ASP 500 N -3.98 1.83 -2.51 -3.80 8.00 -1.26 -5.06 116.55 109.76 3h1c n ASP 500 Ca -0.02 0.54 -0.10 0.00 0.71 0.00 0.00 54.79 55.92 3h1c n ASP 500 Cb 0.54 -0.92 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 3h1c n ASP 500 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1c n GLY 501 N 1.53 3.84 3.40 0.44 0.00 -1.26 -4.79 105.19 108.34 3h1c n GLY 501 Ca -0.19 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.97 3.57 -0.09 -0.61 1.01 -0.49 -1.52 121.20 121.11 3h1c s ILE 502 Ca 0.05 -0.45 0.11 0.00 0.00 0.00 0.00 60.65 60.37 3h1c s ILE 502 Cb 0.00 -2.59 -0.24 0.00 0.01 0.00 0.00 42.46 39.65 3h1c s ILE 502 CO 0.04 0.46 0.49 -1.54 0.00 0.00 0.00 174.94 174.39 3h1c n SER 503 N 4.16 0.86 -3.79 3.58 3.41 0.41 -2.18 113.62 120.06 3h1c n SER 503 Ca -0.18 0.30 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 3h1c n SER 503 Cb 0.52 0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 64.41 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 -2.57 -0.62 -0.12 7.33 0.00 0.15 -3.67 121.76 122.27 3h1c s ALA 504 Ca -0.08 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 3h1c s ALA 504 Cb 0.07 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.95 3h1c s ALA 504 CO 0.81 -0.15 0.27 -1.17 0.00 0.00 0.00 175.76 175.52 3h1c s LEU 505 N -0.22 0.24 -0.02 0.00 2.96 0.35 -0.31 118.68 121.68 3h1c s LEU 505 Ca -0.03 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 3h1c s LEU 505 Cb -0.03 0.79 0.01 0.00 0.50 0.00 0.00 46.19 47.46 3h1c s LEU 505 CO 0.01 -0.18 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.22 3h1c s GLN 506 N 1.47 0.66 -0.12 1.98 0.74 0.07 0.38 119.66 124.85 3h1c s GLN 506 Ca -0.08 -0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.17 3h1c s GLN 506 Cb -0.10 -0.66 0.01 0.00 1.10 0.00 0.00 33.01 33.36 3h1c s GLN 506 CO -0.09 0.05 -0.16 -1.64 -0.55 0.00 0.00 175.29 172.90 3h1c s MET 507 N 0.30 2.34 -0.61 1.67 -1.94 -0.11 -0.78 119.30 120.17 3h1c s MET 507 Ca -0.04 -0.60 0.05 0.00 -1.71 0.00 0.00 55.69 53.39 3h1c s MET 507 Cb -0.08 -1.98 0.17 0.00 2.01 0.00 0.00 34.83 34.95 3h1c s MET 507 CO -0.00 -0.07 0.46 -0.25 -0.01 0.00 0.00 175.02 175.15 3h1c n ASP 508 N 4.22 1.94 -4.69 3.03 8.00 -1.15 -2.88 116.55 125.02 3h1c n ASP 508 Ca -0.19 -2.96 -0.41 0.00 0.71 0.00 0.00 54.79 51.94 3h1c n ASP 508 Cb 0.51 -0.69 -0.04 0.00 -0.02 0.00 0.00 41.12 40.88 3h1c n ASP 508 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h1c s ILE 509 N -1.03 4.88 -1.85 0.53 1.01 -1.17 -2.35 121.20 121.21 3h1c s ILE 509 Ca 0.28 1.79 0.18 0.00 0.00 0.00 0.00 60.65 62.90 3h1c s ILE 509 Cb -0.01 -4.20 0.35 0.00 0.01 0.00 0.00 42.46 38.61 3h1c s ILE 509 CO -0.17 0.08 1.27 2.29 0.00 0.00 0.00 174.94 178.41 3h1c n LYS 510 N 4.68 2.25 -4.47 2.79 2.85 -0.27 -4.81 118.16 121.18 3h1c n LYS 510 Ca 0.05 -2.06 -0.25 0.00 -1.05 0.00 0.00 58.31 55.00 3h1c n LYS 510 Cb 0.50 -1.40 -0.10 0.00 -0.65 0.00 0.00 35.03 33.37 3h1c n LYS 510 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 3h1c s ILE 511 N -1.23 2.45 -0.03 0.58 -4.36 -1.25 -4.80 121.20 112.56 3h1c s ILE 511 Ca 0.31 -2.23 -0.12 0.00 -0.26 0.00 0.00 60.65 58.35 3h1c s ILE 511 Cb 0.18 -2.55 -0.07 0.00 1.25 0.00 0.00 42.46 41.27 3h1c s ILE 511 CO 0.25 -0.28 0.56 -0.33 0.24 0.00 0.00 174.94 175.37 3h1c h GLU 512 N 2.07 -0.42 -6.82 0.37 5.08 -1.92 -3.46 114.58 109.49 3h1c h GLU 512 Ca -0.41 0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.44 3h1c h GLU 512 Cb 1.25 0.09 0.09 0.00 0.50 0.00 0.00 28.75 30.69 3h1c h GLU 512 CO 0.66 -0.28 0.87 0.41 -1.00 0.00 0.00 179.01 179.66 3h1c n GLY 513 N 0.54 1.33 3.58 -3.84 0.00 -1.26 -4.70 105.19 100.84 3h1c n GLY 513 Ca -0.05 0.44 -0.07 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.19 0.00 -0.01 -0.61 2.07 -1.26 -5.05 121.20 116.14 3h1c s ILE 514 Ca 0.62 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.89 3h1c s ILE 514 Cb -0.49 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.10 3h1c s ILE 514 CO 0.51 0.00 -0.08 0.42 -1.91 0.00 0.00 174.94 173.88 3h1c s THR 515 N -1.93 0.69 0.58 4.00 -4.23 -1.26 -4.82 115.64 108.66 3h1c s THR 515 Ca 0.05 -0.35 0.28 0.00 -1.18 0.00 0.00 61.69 60.49 3h1c s THR 515 Cb -0.01 -0.59 0.37 0.00 1.34 0.00 0.00 72.50 73.61 3h1c s THR 515 CO -0.04 0.20 2.02 0.50 -0.54 0.00 0.00 174.62 176.76 3h1c h LYS 516 N 6.08 0.00 -0.36 3.99 3.64 -2.00 -1.76 116.57 126.15 3h1c h LYS 516 Ca -0.31 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.94 3h1c h LYS 516 Cb 1.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3h1c h LYS 516 CO 0.49 0.00 -0.26 0.93 -2.27 0.00 0.00 179.45 178.34 3h1c h GLU 517 N 0.00 0.82 0.00 1.90 4.39 -2.00 -2.98 114.58 116.71 3h1c h GLU 517 Ca 0.15 -0.40 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 3h1c h GLU 517 Cb 0.79 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 3h1c h GLU 517 CO -0.00 1.03 -0.25 -0.84 -1.16 0.00 0.00 179.01 177.79 3h1c h ILE 518 N 0.61 0.47 -0.10 3.13 3.07 -1.74 -2.83 117.51 120.12 3h1c h ILE 518 Ca 0.07 -1.45 -0.16 0.00 1.55 0.00 0.00 64.86 64.87 3h1c h ILE 518 Cb 0.83 2.05 -0.01 0.00 -0.27 0.00 0.00 36.82 39.43 3h1c h ILE 518 CO 0.07 0.24 -0.64 0.24 -1.05 0.00 0.00 178.15 177.01 3h1c h MET 519 N 0.00 0.37 -0.26 0.16 2.86 -1.54 -2.48 114.93 114.05 3h1c h MET 519 Ca -0.00 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.32 3h1c h MET 519 Cb 1.03 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 3h1c h MET 519 CO 0.03 0.89 -0.01 0.37 1.06 0.00 0.00 176.91 179.26 3h1c h GLN 520 N 0.27 0.46 0.00 1.72 5.75 -1.36 -2.42 115.11 119.54 3h1c h GLN 520 Ca -0.01 -0.15 -0.14 0.00 -0.15 0.00 0.00 58.65 58.20 3h1c h GLN 520 Cb 1.18 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 3h1c h GLN 520 CO 0.11 0.64 -0.65 -0.24 -2.65 0.00 0.00 178.83 176.04 3h1c h VAL 521 N 0.24 1.32 -0.03 2.39 3.04 -1.57 -2.41 116.25 119.24 3h1c h VAL 521 Ca 0.07 -2.32 -0.20 0.00 -1.01 0.00 0.00 66.70 63.24 3h1c h VAL 521 Cb 0.43 2.30 -0.00 0.00 -2.01 0.00 0.00 31.29 32.01 3h1c h VAL 521 CO 0.01 0.63 -0.85 0.00 -1.01 0.00 0.00 177.57 176.36 3h1c h ALA 522 N 1.35 0.48 -0.17 3.17 0.00 -1.45 -1.80 119.26 120.85 3h1c h ALA 522 Ca -0.01 -0.67 -0.21 0.00 0.00 0.00 0.00 54.91 54.02 3h1c h ALA 522 Cb 1.25 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3h1c h ALA 522 CO 0.08 0.81 -0.73 -0.07 0.00 0.00 0.00 179.25 179.35 3h1c h LEU 523 N 0.23 0.86 -0.70 0.00 3.38 -1.43 -2.49 115.31 115.16 3h1c h LEU 523 Ca -0.05 -0.54 -0.14 0.00 0.09 0.00 0.00 57.88 57.23 3h1c h LEU 523 Cb 1.46 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3h1c h LEU 523 CO 0.14 1.33 -0.57 -1.13 0.09 0.00 0.00 178.44 178.31 3h1c h ASN 524 N 0.52 0.28 1.03 -0.43 -1.24 -1.45 -2.85 115.58 111.44 3h1c h ASN 524 Ca -0.04 -0.15 -0.14 0.00 0.71 0.00 0.00 56.30 56.68 3h1c h ASN 524 Cb 1.34 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 40.29 3h1c h ASN 524 CO 0.15 0.78 -0.69 -0.61 -1.29 0.00 0.00 177.43 175.77 3h1c h GLN 525 N 0.19 0.00 -0.39 6.67 4.15 -1.37 -3.23 115.11 121.13 3h1c h GLN 525 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3h1c h GLN 525 Cb 1.05 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 3h1c h GLN 525 CO 0.09 0.69 0.13 0.00 -1.93 0.00 0.00 178.83 177.81 3h1c h ALA 526 N 1.31 0.51 -2.27 3.38 0.00 -1.30 -3.33 119.26 117.56 3h1c h ALA 526 Ca -0.01 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 54.19 3h1c h ALA 526 Cb 1.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3h1c h ALA 526 CO 0.09 0.14 0.88 0.21 0.00 0.00 0.00 179.25 180.58 3h1c s LYS 527 N -5.44 4.26 0.00 0.00 2.36 -1.09 -1.53 119.74 118.31 3h1c s LYS 527 Ca -0.13 1.86 0.00 0.00 -2.55 0.00 0.00 55.97 55.14 3h1c s LYS 527 Cb 0.10 -3.71 0.00 0.00 -1.05 0.00 0.00 37.83 33.17 3h1c s LYS 527 CO 0.76 -0.65 0.00 0.41 1.55 0.00 0.00 175.35 177.42 3h1c n GLY 528 N 3.68 3.34 0.16 5.54 0.00 -1.26 -4.79 105.19 111.86 3h1c n GLY 528 Ca 0.14 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 3h1c n GLY 528 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1c h ALA 529 N 0.00 0.84 -0.44 4.61 0.00 -1.61 -2.10 119.26 120.56 3h1c h ALA 529 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 3h1c h ALA 529 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h1c h ALA 529 CO 0.00 0.75 -0.20 0.00 0.00 0.00 0.00 179.25 179.80 3h1c h ARG 530 N 0.15 0.87 0.00 0.00 3.08 -1.58 -3.18 114.38 113.72 3h1c h ARG 530 Ca -0.01 -0.35 -0.10 0.00 0.07 0.00 0.00 59.98 59.60 3h1c h ARG 530 Cb 1.14 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3h1c h ARG 530 CO 0.10 0.99 -0.46 -0.07 -1.07 0.00 0.00 179.97 179.45 3h1c h LEU 531 N 0.76 0.00 -0.23 3.04 3.38 -1.80 -1.27 115.31 119.19 3h1c h LEU 531 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3h1c h LEU 531 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3h1c h LEU 531 CO 0.06 0.46 -0.04 -0.74 0.09 0.00 0.00 178.44 178.27 3h1c h HIS 532 N 0.00 0.49 -0.47 1.13 2.76 -1.37 0.89 115.15 118.58 3h1c h HIS 532 Ca -0.00 -0.10 -0.13 0.00 -2.20 0.00 0.00 60.37 57.93 3h1c h HIS 532 Cb 0.90 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 3h1c h HIS 532 CO 0.00 0.65 -0.23 0.82 -1.30 0.00 0.00 177.93 177.88 3h1c h ILE 533 N 0.18 1.27 -0.28 6.26 2.04 -1.52 -2.42 117.51 123.04 3h1c h ILE 533 Ca 0.06 -1.39 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 3h1c h ILE 533 Cb 0.48 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3h1c h ILE 533 CO 0.02 0.48 -0.03 0.25 0.00 0.00 0.00 178.15 178.87 3h1c h LEU 534 N 0.84 0.41 -0.47 1.44 6.46 -1.18 -0.50 115.31 122.30 3h1c h LEU 534 Ca 0.11 -0.08 -0.09 0.00 -0.12 0.00 0.00 57.88 57.70 3h1c h LEU 534 Cb 0.80 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 3h1c h LEU 534 CO 0.07 0.50 -0.05 1.23 -0.62 0.00 0.00 178.44 179.57 3h1c h GLY 535 N 0.79 0.94 1.47 3.75 0.00 -0.56 -1.61 103.07 107.84 3h1c h GLY 535 Ca 0.09 -0.73 -0.16 0.00 0.00 0.00 0.00 47.33 46.53 3h1c h GLY 535 CO 0.01 0.67 -0.55 -2.08 0.00 0.00 0.00 176.54 174.59 3h1c h VAL 536 N 0.71 1.32 -0.46 4.60 2.07 -1.17 -2.66 116.25 120.66 3h1c h VAL 536 Ca 0.13 -1.79 -0.07 0.00 0.82 0.00 0.00 66.70 65.79 3h1c h VAL 536 Cb 0.58 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 3h1c h VAL 536 CO 0.03 0.56 0.02 0.24 0.02 0.00 0.00 177.57 178.44 3h1c h MET 537 N 0.43 0.74 0.00 1.57 2.07 -1.02 -2.74 114.93 115.98 3h1c h MET 537 Ca 0.01 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.45 3h1c h MET 537 Cb 1.09 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.72 3h1c h MET 537 CO 0.10 0.74 0.00 0.93 1.07 0.00 0.00 176.91 179.76 3h1c h GLU 538 N 0.70 0.00 -0.12 1.72 5.08 -1.23 -2.80 114.58 117.94 3h1c h GLU 538 Ca 0.14 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 3h1c h GLU 538 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3h1c h GLU 538 CO 0.01 0.00 -0.45 1.96 -1.00 0.00 0.00 179.01 179.53 3h1c h GLN 539 N 0.00 0.30 0.00 2.33 4.20 -1.16 -3.34 115.11 117.44 3h1c h GLN 539 Ca 0.00 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3h1c h GLN 539 Cb 0.82 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3h1c h GLN 539 CO 0.00 0.70 -0.08 0.00 -0.67 0.00 0.00 178.83 178.78 3h1c h ALA 540 N 1.28 0.00 -3.69 3.87 0.00 -1.54 -3.48 119.26 115.70 3h1c h ALA 540 Ca 0.02 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.51 3h1c h ALA 540 Cb 0.90 0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.46 3h1c h ALA 540 CO 0.07 0.08 -0.75 0.96 0.00 0.00 0.00 179.25 179.61 3h1c s ILE 541 N -1.62 0.31 -0.00 0.00 -4.36 -1.06 -5.04 121.20 109.43 3h1c s ILE 541 Ca -0.02 -0.09 0.00 0.00 -0.26 0.00 0.00 60.65 60.28 3h1c s ILE 541 Cb 0.00 -0.31 -0.00 0.00 1.25 0.00 0.00 42.46 43.40 3h1c s ILE 541 CO 0.03 0.13 0.00 -0.46 0.24 0.00 0.00 174.94 174.88 3h1c n ASN 542 N 3.49 5.00 -4.06 4.36 0.23 -1.26 -4.00 115.26 119.02 3h1c n ASN 542 Ca -0.19 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.62 3h1c n ASN 542 Cb 0.55 0.60 -0.16 0.00 -2.08 0.00 0.00 39.78 38.69 3h1c n ASN 542 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h1c s ALA 543 N -2.00 1.27 -2.00 -2.53 0.00 -1.26 -4.97 121.76 110.27 3h1c s ALA 543 Ca -0.00 -0.49 0.17 0.00 0.00 0.00 0.00 51.96 51.64 3h1c s ALA 543 Cb 0.00 -0.49 1.02 0.00 0.00 0.00 0.00 23.12 23.64 3h1c s ALA 543 CO 0.00 0.18 1.42 -0.35 0.00 0.00 0.00 175.76 177.01