#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1c s LEU 2 N 0.00 2.96 -0.11 3.17 2.96 -1.26 -5.10 118.68 121.29 3h1c s LEU 2 Ca 0.00 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3h1c s LEU 2 Cb 0.00 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 3h1c s LEU 2 CO 0.00 -0.01 -0.16 0.20 -1.32 0.00 0.00 176.35 175.05 3h1c s ASN 3 N 1.45 3.75 0.49 3.68 0.01 -1.26 -5.06 114.94 118.00 3h1c s ASN 3 Ca 0.05 -0.38 -0.02 0.00 -0.71 0.00 0.00 52.86 51.80 3h1c s ASN 3 Cb -0.14 -1.47 -0.01 0.00 0.41 0.00 0.00 41.25 40.04 3h1c s ASN 3 CO -0.02 0.18 0.75 -2.16 -1.51 0.00 0.00 177.10 174.34 3h1c s PRO 4 N 0.24 3.11 -0.26 -0.60 0.04 -1.26 -4.47 135.00 131.80 3h1c s PRO 4 Ca -0.11 -0.23 -0.02 0.00 0.04 0.00 0.00 61.00 60.68 3h1c s PRO 4 Cb -0.16 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 31.96 3h1c s PRO 4 CO 0.06 -0.37 -0.05 0.42 0.04 0.00 0.00 177.00 177.10 3h1c s ILE 5 N -2.70 2.90 -0.07 0.56 1.09 0.31 -4.99 121.20 118.30 3h1c s ILE 5 Ca 0.49 -1.09 0.05 0.00 -1.10 0.00 0.00 60.65 59.01 3h1c s ILE 5 Cb -0.10 -2.51 -0.00 0.00 -1.06 0.00 0.00 42.46 38.78 3h1c s ILE 5 CO 0.41 0.14 -0.23 0.54 -0.10 0.00 0.00 174.94 175.71 3h1c s VAL 6 N 1.31 1.89 -0.10 2.92 0.11 -1.26 -1.90 120.40 123.38 3h1c s VAL 6 Ca -0.01 -0.95 -0.02 0.00 -2.93 0.00 0.00 61.98 58.07 3h1c s VAL 6 Cb -0.17 -1.62 0.04 0.00 -1.53 0.00 0.00 36.38 33.09 3h1c s VAL 6 CO -0.04 0.53 0.02 -0.60 -3.33 0.00 0.00 175.10 171.68 3h1c s ARG 7 N 0.11 0.51 0.02 1.54 3.52 -0.65 -5.02 118.95 118.97 3h1c s ARG 7 Ca -0.10 0.02 0.04 0.00 -0.13 0.00 0.00 55.73 55.57 3h1c s ARG 7 Cb -0.15 -1.20 -0.03 0.00 -1.56 0.00 0.00 34.95 32.00 3h1c s ARG 7 CO 0.05 -0.39 -0.09 -1.59 -0.81 0.00 0.00 175.30 172.47 3h1c s LYS 8 N 1.98 2.43 0.19 5.12 -2.85 -1.26 -1.96 119.74 123.38 3h1c s LYS 8 Ca 0.04 -0.80 -0.00 0.00 -1.00 0.00 0.00 55.97 54.21 3h1c s LYS 8 Cb -0.13 -2.43 0.00 0.00 -2.06 0.00 0.00 37.83 33.21 3h1c s LYS 8 CO -0.06 0.58 0.25 1.97 0.10 0.00 0.00 175.35 178.19 3h1c n PHE 9 N 1.43 -0.90 -4.84 1.78 -1.74 -0.46 -5.01 117.46 107.72 3h1c n PHE 9 Ca -0.15 -1.31 -0.33 0.00 -0.56 0.00 0.00 57.45 55.10 3h1c n PHE 9 Cb 0.52 0.28 -0.13 0.00 1.52 0.00 0.00 39.48 41.67 3h1c n PHE 9 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 3h1c s GLN 10 N -2.48 2.55 -0.46 3.97 -0.21 -1.26 -1.17 119.66 120.60 3h1c s GLN 10 Ca 0.17 -0.67 0.08 0.00 0.02 0.00 0.00 55.36 54.96 3h1c s GLN 10 Cb -0.00 -2.42 0.27 0.00 1.00 0.00 0.00 33.01 31.86 3h1c s GLN 10 CO 0.12 0.63 0.63 0.98 -2.12 0.00 0.00 175.29 175.53 3h1c n TYR 11 N 2.30 0.95 0.00 0.91 9.36 -1.23 -4.92 117.16 124.53 3h1c n TYR 11 Ca -0.17 -3.77 0.00 0.00 3.32 0.00 0.00 57.90 57.28 3h1c n TYR 11 Cb 0.52 -0.42 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 3h1c n TYR 11 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h1c n GLY 12 N 1.03 2.01 2.00 2.98 0.00 -1.26 -4.37 105.19 107.58 3h1c n GLY 12 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -2.27 1.61 6.02 -1.26 -5.08 117.38 116.40 3h1c n GLN 13 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3h1c n GLN 13 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 3h1c n GLN 13 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3h1c s HIS 14 N -1.83 2.76 0.02 1.08 0.09 -1.26 -4.97 115.29 111.18 3h1c s HIS 14 Ca 0.00 0.82 -0.30 0.00 -0.00 0.00 0.00 55.06 55.58 3h1c s HIS 14 Cb 0.00 -3.63 -0.06 0.00 -0.00 0.00 0.00 32.58 28.89 3h1c s HIS 14 CO 0.00 -2.33 1.37 0.95 -0.00 0.00 0.00 174.74 174.73 3h1c s THR 15 N 2.90 3.70 -0.21 1.30 -4.23 -1.26 -3.57 115.64 114.27 3h1c s THR 15 Ca 0.62 1.12 -0.14 0.00 -1.18 0.00 0.00 61.69 62.11 3h1c s THR 15 Cb -0.28 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 3h1c s THR 15 CO 0.23 0.02 0.31 -0.69 -0.54 0.00 0.00 174.62 173.96 3h1c s VAL 16 N 2.06 5.26 -0.12 2.29 1.01 -0.32 -4.21 120.40 126.37 3h1c s VAL 16 Ca 0.63 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 3h1c s VAL 16 Cb -0.32 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3h1c s VAL 16 CO 0.27 0.29 -0.07 -0.89 0.00 0.00 0.00 175.10 174.69 3h1c s THR 17 N 1.21 3.58 -0.09 3.92 2.01 -0.69 -1.35 115.64 124.23 3h1c s THR 17 Ca 0.15 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.70 3h1c s THR 17 Cb -0.14 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.85 3h1c s THR 17 CO 0.07 0.53 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.55 3h1c s LEU 18 N 0.06 1.99 -0.02 4.42 1.43 -0.83 -3.05 118.68 122.68 3h1c s LEU 18 Ca -0.02 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3h1c s LEU 18 Cb -0.14 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.83 3h1c s LEU 18 CO 0.03 0.14 -0.02 -0.70 0.23 0.00 0.00 176.35 176.04 3h1c s GLU 19 N 0.35 0.38 0.05 1.70 2.12 -0.63 -1.64 118.70 121.02 3h1c s GLU 19 Ca -0.16 -0.02 -0.12 0.00 0.36 0.00 0.00 54.97 55.03 3h1c s GLU 19 Cb -0.17 -0.47 0.01 0.00 0.26 0.00 0.00 34.13 33.77 3h1c s GLU 19 CO 0.07 -0.05 0.25 -0.08 -0.54 0.00 0.00 175.26 174.91 3h1c s THR 20 N 0.63 0.10 0.00 -1.70 -1.32 -0.80 0.31 115.64 112.86 3h1c s THR 20 Ca -0.07 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 3h1c s THR 20 Cb -0.10 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 3h1c s THR 20 CO -0.01 -0.44 0.00 0.61 -2.21 0.00 0.00 174.62 172.57 3h1c n GLY 21 N 0.55 0.67 0.91 6.08 0.00 -1.26 -0.53 105.19 111.61 3h1c n GLY 21 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 3h1c n GLY 21 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3h1c n MET 22 N -1.16 0.07 -3.00 1.61 0.00 -1.26 -4.72 117.12 108.66 3h1c n MET 22 Ca 0.00 0.03 -0.39 0.00 0.00 0.00 0.00 57.70 57.34 3h1c n MET 22 Cb 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 33.22 32.54 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 -2.08 4.52 -0.53 2.12 -1.94 -1.26 -4.43 119.30 115.70 3h1c s MET 23 Ca -0.04 1.12 -0.19 0.00 -1.71 0.00 0.00 55.69 54.86 3h1c s MET 23 Cb 0.01 -3.21 0.03 0.00 2.01 0.00 0.00 34.83 33.67 3h1c s MET 23 CO 0.06 0.55 0.64 0.00 -0.01 0.00 0.00 175.02 176.25 3h1c n ALA 24 N 1.47 -2.69 -0.02 3.03 0.00 -1.26 -4.70 120.51 116.35 3h1c n ALA 24 Ca -0.05 0.57 -0.08 0.00 0.00 0.00 0.00 53.44 53.87 3h1c n ALA 24 Cb 0.49 -2.61 -0.14 0.00 0.00 0.00 0.00 19.45 17.19 3h1c n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h1c n ARG 25 N -0.75 0.63 -0.10 0.00 1.74 -1.26 -4.22 116.66 112.69 3h1c n ARG 25 Ca -0.02 0.30 -0.10 0.00 -0.77 0.00 0.00 57.85 57.26 3h1c n ARG 25 Cb 0.57 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 3h1c n ARG 25 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3h1c h GLN 26 N 0.00 0.49 -6.80 5.56 4.15 -1.97 -3.45 115.11 113.10 3h1c h GLN 26 Ca -0.28 -0.12 -0.36 0.00 0.77 0.00 0.00 58.65 58.67 3h1c h GLN 26 Cb 2.00 -0.07 0.20 0.00 0.21 0.00 0.00 27.48 29.83 3h1c h GLN 26 CO 0.08 0.56 -0.20 0.00 -1.93 0.00 0.00 178.83 177.33 3h1c n ALA 27 N -2.31 -4.03 -0.02 3.38 0.00 -1.26 -4.96 120.51 111.32 3h1c n ALA 27 Ca -0.02 -1.65 -0.16 0.00 0.00 0.00 0.00 53.44 51.61 3h1c n ALA 27 Cb 0.18 -1.53 -0.11 0.00 0.00 0.00 0.00 19.45 17.99 3h1c n ALA 27 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3h1c h THR 28 N -3.27 1.48 -2.56 0.00 2.02 -1.86 -3.47 112.91 105.25 3h1c h THR 28 Ca -0.42 -1.95 -0.10 0.00 0.77 0.00 0.00 66.41 64.71 3h1c h THR 28 Cb 1.24 2.62 -0.22 0.00 -1.74 0.00 0.00 68.15 70.05 3h1c h THR 28 CO 0.28 0.55 -0.12 0.00 0.37 0.00 0.00 175.52 176.59 3h1c s ALA 29 N -3.26 -1.21 -0.14 6.16 0.00 -0.96 -4.70 121.76 117.65 3h1c s ALA 29 Ca -0.15 1.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 3h1c s ALA 29 Cb 0.02 -0.59 0.07 0.00 0.00 0.00 0.00 23.12 22.63 3h1c s ALA 29 CO 0.77 -0.25 0.29 0.00 0.00 0.00 0.00 175.76 176.57 3h1c s ALA 30 N -0.14 -0.66 -0.11 0.00 0.00 -1.26 -1.19 121.76 118.39 3h1c s ALA 30 Ca -0.03 1.01 0.03 0.00 0.00 0.00 0.00 51.96 52.97 3h1c s ALA 30 Cb -0.03 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 22.00 3h1c s ALA 30 CO 0.02 -0.68 -0.22 0.08 0.00 0.00 0.00 175.76 174.96 3h1c s VAL 31 N 2.45 1.97 -0.54 0.00 1.01 -0.67 -4.30 120.40 120.32 3h1c s VAL 31 Ca 0.01 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 3h1c s VAL 31 Cb -0.12 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.58 3h1c s VAL 31 CO -0.09 0.54 0.81 -0.32 0.00 0.00 0.00 175.10 176.03 3h1c s MET 32 N 0.60 3.24 0.29 2.72 1.75 0.15 -2.54 119.30 125.50 3h1c s MET 32 Ca -0.13 -0.54 0.09 0.00 -1.25 0.00 0.00 55.69 53.85 3h1c s MET 32 Cb -0.17 -4.08 -0.04 0.00 2.84 0.00 0.00 34.83 33.38 3h1c s MET 32 CO 0.04 -1.39 0.08 0.08 -0.65 0.00 0.00 175.02 173.18 3h1c s VAL 33 N 3.41 3.52 0.00 10.11 1.01 -1.18 -1.61 120.40 135.66 3h1c s VAL 33 Ca 0.24 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.48 3h1c s VAL 33 Cb -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3h1c s VAL 33 CO 0.16 -0.31 0.00 -1.54 0.00 0.00 0.00 175.10 173.41 3h1c n SER 34 N -1.03 0.00 0.00 3.32 3.41 -1.17 -1.65 113.62 116.50 3h1c n SER 34 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3h1c n SER 34 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3h1c n SER 34 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3h1c n MET 35 N -0.33 0.00 -0.06 4.33 2.81 -0.87 -1.70 117.12 121.31 3h1c n MET 35 Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.84 3h1c n MET 35 Cb 0.00 -0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 3h1c n MET 35 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3h1c n ASP 36 N -1.25 1.39 0.00 7.83 8.00 -1.26 -4.09 116.55 127.17 3h1c n ASP 36 Ca 0.00 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.91 3h1c n ASP 36 Cb 0.00 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 3h1c n ASP 36 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h1c n ASP 37 N -3.99 0.00 -4.64 -2.24 8.00 -1.26 -5.04 116.55 107.38 3h1c n ASP 37 Ca -0.08 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.00 3h1c n ASP 37 Cb 0.28 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 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 0.00 4.12 -0.08 -3.53 2.01 -1.26 -3.86 115.64 113.04 3h1c s THR 38 Ca 0.00 1.31 0.04 0.00 0.31 0.00 0.00 61.69 63.35 3h1c s THR 38 Cb 0.00 -4.02 -0.00 0.00 0.01 0.00 0.00 72.50 68.49 3h1c s THR 38 CO 0.00 -0.31 -0.22 0.00 -0.69 0.00 0.00 174.62 173.40 3h1c s ALA 39 N 4.13 1.97 -0.18 7.40 0.00 0.13 -2.04 121.76 133.17 3h1c s ALA 39 Ca 0.58 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.66 3h1c s ALA 39 Cb -0.20 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.24 3h1c s ALA 39 CO 0.21 0.30 -0.13 0.08 0.00 0.00 0.00 175.76 176.21 3h1c s VAL 40 N 0.22 1.69 -0.43 0.00 1.01 -0.66 -2.01 120.40 120.22 3h1c s VAL 40 Ca -0.13 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 3h1c s VAL 40 Cb -0.16 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3h1c s VAL 40 CO 0.06 0.32 0.80 0.12 0.00 0.00 0.00 175.10 176.40 3h1c s PHE 41 N 1.41 3.02 -0.13 5.22 5.36 -0.00 -3.12 117.98 129.74 3h1c s PHE 41 Ca 0.02 0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 56.27 3h1c s PHE 41 Cb -0.15 -3.62 -0.02 0.00 -0.34 0.00 0.00 43.02 38.89 3h1c s PHE 41 CO -0.10 -0.92 -0.07 0.08 -1.46 0.00 0.00 175.22 172.75 3h1c s VAL 42 N 3.28 3.63 -0.02 3.12 1.01 -1.05 -1.73 120.40 128.63 3h1c s VAL 42 Ca 0.31 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3h1c s VAL 42 Cb -0.12 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3h1c s VAL 42 CO 0.21 0.53 -0.20 0.42 0.00 0.00 0.00 175.10 176.06 3h1c s THR 43 N 0.06 1.62 -0.13 3.92 -4.23 0.23 -1.67 115.64 115.44 3h1c s THR 43 Ca -0.02 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 3h1c s THR 43 Cb -0.14 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.36 3h1c s THR 43 CO 0.03 0.46 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.71 3h1c s VAL 44 N -0.38 1.73 -0.15 2.29 1.01 -0.34 -0.40 120.40 124.17 3h1c s VAL 44 Ca 0.05 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3h1c s VAL 44 Cb -0.09 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3h1c s VAL 44 CO -0.00 0.49 -0.20 -0.69 0.00 0.00 0.00 175.10 174.70 3h1c s VAL 45 N 1.09 2.23 -0.12 2.92 1.01 -0.85 -2.28 120.40 124.40 3h1c s VAL 45 Ca -0.03 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.06 3h1c s VAL 45 Cb -0.14 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3h1c s VAL 45 CO -0.05 0.54 -0.22 -0.83 0.00 0.00 0.00 175.10 174.54 3h1c s GLY 46 N 0.86 1.36 0.16 4.51 0.00 -1.26 -2.03 107.32 110.92 3h1c s GLY 46 Ca -0.06 -1.03 -0.30 0.00 0.00 0.00 0.00 44.72 43.34 3h1c s GLY 46 CO -0.02 -0.16 1.04 1.62 0.00 0.00 0.00 173.10 175.57 3h1c s GLN 47 N 0.58 4.65 0.02 2.90 0.74 -1.13 -4.97 119.66 122.45 3h1c s GLN 47 Ca -0.12 1.61 -0.25 0.00 0.05 0.00 0.00 55.36 56.64 3h1c s GLN 47 Cb -0.17 -3.31 -0.17 0.00 1.10 0.00 0.00 33.01 30.46 3h1c s GLN 47 CO 0.03 0.16 1.35 0.87 -0.55 0.00 0.00 175.29 177.15 3h1c h LYS 48 N 5.20 -0.27 -6.00 1.67 1.79 -2.00 -3.44 116.57 113.52 3h1c h LYS 48 Ca -0.44 0.02 -0.66 0.00 -2.18 0.00 0.00 60.65 57.39 3h1c h LYS 48 Cb 1.21 0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 31.82 3h1c h LYS 48 CO 0.72 0.03 -0.58 -1.59 -1.08 0.00 0.00 179.45 176.95 3h1c s LYS 49 N -4.91 3.05 0.33 3.15 -2.85 -1.26 -5.08 119.74 112.18 3h1c s LYS 49 Ca -0.15 -0.48 -0.10 0.00 -1.00 0.00 0.00 55.97 54.24 3h1c s LYS 49 Cb 0.03 -2.85 -0.07 0.00 -2.06 0.00 0.00 37.83 32.88 3h1c s LYS 49 CO 0.60 0.65 0.69 0.00 0.10 0.00 0.00 175.35 177.39 3h1c s ALA 50 N -1.16 3.43 0.13 0.59 0.00 -1.26 -4.89 121.76 118.60 3h1c s ALA 50 Ca 0.22 -0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.64 3h1c s ALA 50 Cb -0.12 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 20.32 3h1c s ALA 50 CO 0.12 0.20 1.45 0.21 0.00 0.00 0.00 175.76 177.75 3h1c s LYS 51 N -3.42 4.28 0.32 0.00 2.47 -1.26 -4.92 119.74 117.21 3h1c s LYS 51 Ca 0.50 2.17 0.05 0.00 -1.56 0.00 0.00 55.97 57.12 3h1c s LYS 51 Cb -0.10 -3.24 0.85 0.00 -1.46 0.00 0.00 37.83 33.88 3h1c s LYS 51 CO 0.26 -0.50 1.58 -1.35 0.16 0.00 0.00 175.35 175.50 3h1c h PRO 52 N 6.86 0.03 -2.62 4.03 0.11 -2.02 -2.85 132.00 135.54 3h1c h PRO 52 Ca -0.42 -0.00 -0.77 0.00 0.11 0.00 0.00 66.00 64.92 3h1c h PRO 52 Cb 1.21 -0.01 -0.30 0.00 0.11 0.00 0.00 31.00 32.01 3h1c h PRO 52 CO 0.88 0.02 0.60 0.41 -0.21 0.00 0.00 178.00 179.70 3h1c n GLY 53 N -1.44 5.40 3.22 -0.55 0.00 -1.26 -4.99 105.19 105.57 3h1c n GLY 53 Ca 0.25 -2.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.31 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 -3.19 2.19 0.00 1.61 -1.52 -1.08 -5.01 119.66 112.67 3h1c s GLN 54 Ca 0.35 -0.80 0.00 0.00 -1.95 0.00 0.00 55.36 52.97 3h1c s GLN 54 Cb 0.11 -1.90 0.00 0.00 -0.22 0.00 0.00 33.01 31.00 3h1c s GLN 54 CO 0.02 0.36 0.00 -0.40 -0.25 0.00 0.00 175.29 175.02 3h1c n ASP 55 N 2.94 4.02 -4.73 5.90 5.75 -1.26 -5.07 116.55 124.10 3h1c n ASP 55 Ca -0.17 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.38 3h1c n ASP 55 Cb 0.52 0.38 -0.06 0.00 -1.03 0.00 0.00 41.12 40.93 3h1c n ASP 55 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3h1c s PHE 56 N -1.82 2.81 -0.36 2.11 -0.12 -1.26 -5.03 117.98 114.32 3h1c s PHE 56 Ca 0.00 -0.24 -0.23 0.00 -0.05 0.00 0.00 56.93 56.41 3h1c s PHE 56 Cb 0.00 -1.40 0.01 0.00 -0.63 0.00 0.00 43.02 41.00 3h1c s PHE 56 CO 0.00 0.50 0.75 0.12 -0.05 0.00 0.00 175.22 176.54 3h1c s PHE 57 N -2.30 3.13 -0.70 3.49 5.36 -1.26 -4.81 117.98 120.88 3h1c s PHE 57 Ca 0.34 0.54 -0.21 0.00 -0.96 0.00 0.00 56.93 56.64 3h1c s PHE 57 Cb -0.06 -3.32 0.09 0.00 -0.34 0.00 0.00 43.02 39.40 3h1c s PHE 57 CO 0.22 -0.69 0.93 -1.25 -1.46 0.00 0.00 175.22 172.98 3h1c s PRO 58 N 3.00 3.20 -0.27 10.12 0.04 -1.26 -5.01 135.00 144.82 3h1c s PRO 58 Ca 0.30 -1.17 -0.08 0.00 0.04 0.00 0.00 61.00 60.09 3h1c s PRO 58 Cb -0.14 -4.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.00 3h1c s PRO 58 CO 0.16 -1.73 0.08 -1.17 0.04 0.00 0.00 177.00 174.38 3h1c s LEU 59 N 3.38 3.63 -0.52 -3.56 2.96 -1.26 -3.04 118.68 120.27 3h1c s LEU 59 Ca 0.22 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 3h1c s LEU 59 Cb -0.16 -1.92 0.14 0.00 0.50 0.00 0.00 46.19 44.75 3h1c s LEU 59 CO 0.05 -0.10 0.30 0.28 -1.32 0.00 0.00 176.35 175.56 3h1c s THR 60 N 1.59 2.14 -0.26 3.68 -1.32 -1.18 -5.08 115.64 115.21 3h1c s THR 60 Ca 0.05 -3.23 -0.20 0.00 -1.21 0.00 0.00 61.69 57.11 3h1c s THR 60 Cb -0.16 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.34 3h1c s THR 60 CO 0.04 -0.89 0.60 -0.69 -2.21 0.00 0.00 174.62 171.46 3h1c s VAL 61 N -0.30 5.00 -0.18 5.08 1.01 -1.26 -3.37 120.40 126.38 3h1c s VAL 61 Ca 0.20 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.20 3h1c s VAL 61 Cb -0.20 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.30 3h1c s VAL 61 CO -0.04 0.02 -0.17 0.54 0.00 0.00 0.00 175.10 175.45 3h1c s ASN 62 N 1.52 3.17 -0.20 3.32 2.20 -0.93 -4.84 114.94 119.17 3h1c s ASN 62 Ca 0.25 -0.70 -0.06 0.00 -0.94 0.00 0.00 52.86 51.40 3h1c s ASN 62 Cb -0.15 -1.39 -0.03 0.00 -2.00 0.00 0.00 41.25 37.67 3h1c s ASN 62 CO 0.09 -0.04 0.03 -0.47 -2.94 0.00 0.00 177.10 173.77 3h1c s TYR 63 N 1.33 3.11 -0.09 1.54 5.04 -1.26 -2.84 117.35 124.17 3h1c s TYR 63 Ca 0.03 -0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.38 3h1c s TYR 63 Cb -0.14 -2.11 0.02 0.00 0.35 0.00 0.00 41.96 40.08 3h1c s TYR 63 CO -0.11 -0.14 -0.08 1.14 -1.34 0.00 0.00 175.55 175.02 3h1c s GLN 64 N 0.93 1.41 -0.11 4.97 -2.07 -0.86 -4.74 119.66 119.19 3h1c s GLN 64 Ca 0.02 -0.24 -0.16 0.00 -1.82 0.00 0.00 55.36 53.16 3h1c s GLN 64 Cb -0.14 -1.42 -0.05 0.00 -1.09 0.00 0.00 33.01 30.32 3h1c s GLN 64 CO 0.02 -0.19 0.41 -1.21 -1.32 0.00 0.00 175.29 173.01 3h1c s GLU 65 N 1.42 4.25 -0.12 9.60 2.02 -1.26 -2.16 118.70 132.45 3h1c s GLU 65 Ca -0.01 0.34 0.02 0.00 0.02 0.00 0.00 54.97 55.34 3h1c s GLU 65 Cb -0.13 -3.40 -0.01 0.00 0.10 0.00 0.00 34.13 30.69 3h1c s GLU 65 CO -0.04 0.26 -0.18 1.03 0.02 0.00 0.00 175.26 176.35 3h1c s ARG 66 N 0.32 3.23 0.00 1.61 0.52 -1.24 -4.96 118.95 118.43 3h1c s ARG 66 Ca 0.23 -0.77 0.16 0.00 -0.52 0.00 0.00 55.73 54.82 3h1c s ARG 66 Cb -0.15 -2.49 0.68 0.00 0.52 0.00 0.00 34.95 33.51 3h1c s ARG 66 CO 0.09 0.18 1.50 0.25 0.02 0.00 0.00 175.30 177.34 3h1c n THR 67 N 3.58 0.89 1.10 0.02 -2.24 -1.26 -2.27 114.28 114.10 3h1c n THR 67 Ca -0.19 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 3h1c n THR 67 Cb 0.53 -0.95 0.61 0.00 -2.10 0.00 0.00 70.33 68.41 3h1c n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1c n TYR 68 N -1.49 0.00 -0.04 4.78 4.11 -1.26 -2.49 117.16 120.78 3h1c n TYR 68 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.85 3h1c n TYR 68 Cb 0.18 -0.34 0.07 0.00 -0.00 0.00 0.00 39.34 39.25 3h1c n TYR 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3h1c h ALA 69 N 3.10 0.77 0.00 -3.48 0.00 -1.61 -3.14 119.26 114.91 3h1c h ALA 69 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3h1c h ALA 69 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3h1c h ALA 69 CO 0.00 0.66 -0.95 0.00 0.00 0.00 0.00 179.25 178.96 3h1c n ALA 70 N -2.51 3.01 -1.26 0.00 0.00 -1.20 -3.07 120.51 115.47 3h1c n ALA 70 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3h1c n ALA 70 Cb 0.53 -1.05 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 1.31 0.53 2.99 0.00 0.00 -1.19 -5.07 105.19 103.76 3h1c n GLY 71 Ca 0.02 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 3h1c n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h1c s ARG 72 N -2.34 0.14 -0.11 1.61 3.52 -1.04 -5.04 118.95 115.69 3h1c s ARG 72 Ca 0.00 0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 3h1c s ARG 72 Cb 0.00 0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.38 3h1c s ARG 72 CO 0.00 -0.06 1.05 0.42 -0.81 0.00 0.00 175.30 175.90 3h1c s ILE 73 N 0.35 4.67 0.47 4.11 1.09 -1.26 -4.11 121.20 126.52 3h1c s ILE 73 Ca -0.02 1.95 -0.24 0.00 -1.10 0.00 0.00 60.65 61.23 3h1c s ILE 73 Cb -0.04 -4.25 -0.08 0.00 -1.06 0.00 0.00 42.46 37.03 3h1c s ILE 73 CO -0.01 -0.02 1.34 -0.81 -0.10 0.00 0.00 174.94 175.34 3h1c n PRO 74 N 5.19 1.94 -0.08 2.79 -0.04 -1.26 -4.90 135.00 138.64 3h1c n PRO 74 Ca 0.10 0.70 0.01 0.00 -0.04 0.00 0.00 63.50 64.26 3h1c n PRO 74 Cb 0.48 -2.51 0.04 0.00 -0.04 0.00 0.00 33.50 31.47 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 0.74 0.61 3.73 0.55 0.00 -1.26 -4.71 105.19 104.84 3h1c n GLY 75 Ca 0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3h1c n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h1c s SER 76 N -0.52 1.82 -0.02 1.61 0.15 -1.26 -5.00 113.70 110.48 3h1c s SER 76 Ca 0.06 0.49 -0.16 0.00 0.70 0.00 0.00 55.95 57.04 3h1c s SER 76 Cb 0.04 -0.65 -0.33 0.00 -1.71 0.00 0.00 66.02 63.37 3h1c s SER 76 CO 0.03 -3.56 0.85 0.15 1.20 0.00 0.00 173.24 171.92 3h1c h PHE 77 N -2.20 0.77 -0.00 3.44 3.57 -1.92 -3.32 116.94 117.28 3h1c h PHE 77 Ca -0.45 -0.56 0.00 0.00 3.53 0.00 0.00 57.97 60.49 3h1c h PHE 77 Cb 1.27 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3h1c h PHE 77 CO -1.72 1.53 -0.40 1.19 -2.23 0.00 0.00 178.31 176.68 3h1c n PHE 78 N -3.82 0.00 -2.49 0.41 3.72 -1.26 -4.94 117.46 109.07 3h1c n PHE 78 Ca -0.19 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.12 3h1c n PHE 78 Cb 1.01 -0.29 0.01 0.00 -0.94 0.00 0.00 39.48 39.27 3h1c n PHE 78 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3h1c n ARG 79 N -1.48 -1.80 -3.91 -1.08 5.12 -1.25 -5.03 116.66 107.23 3h1c n ARG 79 Ca 0.06 0.40 -0.14 0.00 -1.93 0.00 0.00 57.85 56.24 3h1c n ARG 79 Cb 0.34 -4.23 -0.15 0.00 -1.16 0.00 0.00 32.46 27.26 3h1c n ARG 79 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3h1c s ARG 80 N -4.90 0.11 0.08 5.56 6.06 -1.26 -4.79 118.95 119.82 3h1c s ARG 80 Ca 0.10 0.01 -0.33 0.00 -2.50 0.00 0.00 55.73 53.02 3h1c s ARG 80 Cb -0.04 -0.19 -0.16 0.00 0.06 0.00 0.00 34.95 34.61 3h1c s ARG 80 CO 0.13 -0.03 1.61 0.93 -2.50 0.00 0.00 175.30 175.43 3h1c h GLU 81 N 6.51 -0.84 0.00 5.12 3.07 -1.96 -3.46 114.58 123.02 3h1c h GLU 81 Ca -0.32 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 3h1c h GLU 81 Cb 1.18 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 3h1c h GLU 81 CO 0.50 -0.56 0.00 0.41 -1.40 0.00 0.00 179.01 177.96 3h1c n GLY 82 N -1.50 2.71 3.77 -3.84 0.00 -1.26 -4.81 105.19 100.26 3h1c n GLY 82 Ca -0.12 0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3h1c n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h1c s ARG 83 N 0.00 4.00 0.38 1.61 3.03 -1.26 -5.00 118.95 121.71 3h1c s ARG 83 Ca 0.00 1.81 -0.27 0.00 2.03 0.00 0.00 55.73 59.30 3h1c s ARG 83 Cb 0.00 -2.61 -0.09 0.00 -1.03 0.00 0.00 34.95 31.21 3h1c s ARG 83 CO 0.00 -0.36 1.33 -1.25 -1.13 0.00 0.00 175.30 173.89 3h1c s PRO 84 N -2.39 4.09 0.19 3.89 0.04 -1.26 -5.04 135.00 134.51 3h1c s PRO 84 Ca 0.58 2.24 -0.01 0.00 0.04 0.00 0.00 61.00 63.85 3h1c s PRO 84 Cb -0.30 -2.88 0.04 0.00 0.04 0.00 0.00 34.50 31.40 3h1c s PRO 84 CO 0.37 -0.42 0.25 -1.13 0.04 0.00 0.00 177.00 176.12 3h1c n SER 85 N 0.37 0.23 -0.14 6.66 3.41 -1.26 -4.92 113.62 117.97 3h1c n SER 85 Ca 0.02 -1.22 -0.07 0.00 -0.26 0.00 0.00 58.87 57.34 3h1c n SER 85 Cb 0.42 -0.17 0.08 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.89 -0.06 4.33 4.81 -2.01 -3.05 114.58 119.49 3h1c h GLU 86 Ca -0.08 -0.30 -0.17 0.00 -0.13 0.00 0.00 59.36 58.67 3h1c h GLU 86 Cb 0.28 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.60 3h1c h GLU 86 CO 0.08 0.94 -0.64 0.78 -0.73 0.00 0.00 179.01 179.44 3h1c h GLY 87 N 0.97 0.59 2.00 1.92 0.00 -2.01 -3.32 103.07 103.23 3h1c h GLY 87 Ca 0.13 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 3h1c h GLY 87 CO 0.04 0.83 -0.04 0.83 0.00 0.00 0.00 176.54 178.20 3h1c h GLU 88 N 0.12 0.00 0.00 4.80 5.08 -1.90 -1.81 114.58 120.87 3h1c h GLU 88 Ca -0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 3h1c h GLU 88 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 3h1c h GLU 88 CO 0.13 0.04 -0.65 1.15 -1.00 0.00 0.00 179.01 178.68 3h1c h THR 89 N 0.00 1.34 -0.31 1.13 2.02 -1.63 -2.89 112.91 112.56 3h1c h THR 89 Ca -0.00 -2.32 -0.16 0.00 0.77 0.00 0.00 66.41 64.69 3h1c h THR 89 Cb 0.06 2.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3h1c h THR 89 CO 0.00 0.64 -0.44 -0.07 0.37 0.00 0.00 175.52 176.02 3h1c h LEU 90 N 0.00 0.93 -0.61 2.58 3.38 -1.42 -1.65 115.31 118.51 3h1c h LEU 90 Ca -0.01 -0.50 -0.15 0.00 0.09 0.00 0.00 57.88 57.31 3h1c h LEU 90 Cb 1.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3h1c h LEU 90 CO 0.08 1.25 -0.54 0.40 0.09 0.00 0.00 178.44 179.73 3h1c h ILE 91 N 0.63 1.34 -0.74 1.22 5.03 -1.62 -1.29 117.51 122.08 3h1c h ILE 91 Ca 0.03 -1.80 0.01 0.00 -0.12 0.00 0.00 64.86 62.98 3h1c h ILE 91 Cb 1.04 1.81 -0.04 0.00 -3.03 0.00 0.00 36.82 36.61 3h1c h ILE 91 CO 0.10 0.55 0.49 0.00 -0.68 0.00 0.00 178.15 178.62 3h1c h ALA 92 N 1.09 1.48 -0.01 1.87 0.00 -1.37 -1.35 119.26 120.97 3h1c h ALA 92 Ca 0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3h1c h ALA 92 Cb 1.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3h1c h ALA 92 CO 0.09 0.48 -0.78 0.00 0.00 0.00 0.00 179.25 179.05 3h1c h ARG 93 N 1.00 0.09 0.00 0.00 3.08 -1.15 -2.51 114.38 114.89 3h1c h ARG 93 Ca 0.28 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3h1c h ARG 93 Cb -0.10 0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3h1c h ARG 93 CO -0.06 0.82 0.00 1.25 -1.07 0.00 0.00 179.97 180.91 3h1c h LEU 94 N 0.05 0.00 0.06 3.04 5.85 -0.20 -2.01 115.31 122.11 3h1c h LEU 94 Ca -0.02 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.33 3h1c h LEU 94 Cb 1.36 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 3h1c h LEU 94 CO 0.11 0.00 -2.20 -0.38 -0.34 0.00 0.00 178.44 175.63 3h1c n ILE 95 N -2.88 1.63 -0.12 4.05 5.41 -0.62 -4.54 119.36 122.29 3h1c n ILE 95 Ca 0.01 -0.65 -0.11 0.00 1.00 0.00 0.00 62.75 63.00 3h1c n ILE 95 Cb 0.30 -1.47 0.01 0.00 -0.71 0.00 0.00 39.64 37.77 3h1c n ILE 95 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 3h1c h ASP 96 N 0.03 0.95 -0.27 4.38 3.58 -1.30 -3.32 116.42 120.47 3h1c h ASP 96 Ca -0.49 -0.40 -0.04 0.00 0.42 0.00 0.00 57.03 56.53 3h1c h ASP 96 Cb 1.99 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 42.77 3h1c h ASP 96 CO 0.01 1.18 0.02 0.03 -2.88 0.00 0.00 179.24 177.60 3h1c h ARG 97 N 0.76 0.46 0.00 0.28 3.08 -1.60 -2.78 114.38 114.59 3h1c h ARG 97 Ca 0.08 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3h1c h ARG 97 Cb 0.88 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 3h1c h ARG 97 CO 0.08 0.61 -0.55 -1.00 -1.07 0.00 0.00 179.97 178.04 3h1c h PRO 98 N 0.26 0.00 0.00 0.04 0.13 -1.80 -3.31 132.00 127.31 3h1c h PRO 98 Ca 0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 3h1c h PRO 98 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 3h1c h PRO 98 CO 0.01 0.55 -0.62 -0.84 -0.23 0.00 0.00 178.00 176.88 3h1c h ILE 99 N 0.00 0.23 -0.17 -3.56 3.07 -1.65 -3.39 117.51 112.05 3h1c h ILE 99 Ca -0.01 -1.36 -0.00 0.00 1.55 0.00 0.00 64.86 65.04 3h1c h ILE 99 Cb 1.08 1.92 -0.01 0.00 -0.27 0.00 0.00 36.82 39.54 3h1c h ILE 99 CO 0.07 0.13 0.09 -0.09 -1.05 0.00 0.00 178.15 177.30 3h1c h ARG 100 N 0.00 0.23 0.00 0.16 2.43 -1.58 -2.87 114.38 112.75 3h1c h ARG 100 Ca -0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3h1c h ARG 100 Cb 1.15 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3h1c h ARG 100 CO 0.02 0.23 0.00 -2.30 -1.51 0.00 0.00 179.97 176.41 3h1c n PRO 101 N -4.92 0.14 0.19 0.20 -0.02 -1.26 -3.05 135.00 126.29 3h1c n PRO 101 Ca -0.04 0.34 0.08 0.00 -2.02 0.00 0.00 63.50 61.85 3h1c n PRO 101 Cb 0.07 -1.75 0.29 0.00 -0.02 0.00 0.00 33.50 32.09 3h1c n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h1c h LEU 102 N 0.00 0.00 -9.57 2.45 3.38 -1.73 -3.44 115.31 106.41 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 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.15 3h1c h LEU 102 CO 0.00 0.30 0.67 -0.36 0.09 0.00 0.00 178.44 179.14 3h1c s PHE 103 N -3.39 3.29 0.60 1.13 0.40 -1.17 -2.39 117.98 116.45 3h1c s PHE 103 Ca 0.02 1.10 -0.19 0.00 -0.60 0.00 0.00 56.93 57.26 3h1c s PHE 103 Cb 0.09 -3.60 -0.04 0.00 0.51 0.00 0.00 43.02 39.97 3h1c s PHE 103 CO 0.68 -2.02 1.13 -2.30 0.70 0.00 0.00 175.22 173.41 3h1c n PRO 104 N 3.60 1.13 -2.24 0.24 -0.02 -1.26 -4.92 135.00 131.54 3h1c n PRO 104 Ca 0.10 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 3h1c n PRO 104 Cb 0.43 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 3h1c n PRO 104 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3h1c s GLU 105 N -2.91 4.21 0.00 -0.52 2.12 -1.26 -2.58 118.70 117.75 3h1c s GLU 105 Ca 0.76 1.90 0.00 0.00 0.36 0.00 0.00 54.97 57.99 3h1c s GLU 105 Cb -0.41 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.12 3h1c s GLU 105 CO 0.46 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 3h1c n GLY 106 N 3.84 1.96 3.68 -1.50 0.00 -1.26 -4.97 105.19 106.93 3h1c n GLY 106 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.14 3.01 0.00 1.61 5.36 -1.07 -4.89 117.98 119.86 3h1c s PHE 107 Ca 0.00 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.06 3h1c s PHE 107 Cb 0.00 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.20 3h1c s PHE 107 CO 0.00 -1.59 0.71 1.33 -1.46 0.00 0.00 175.22 174.21 3h1c n VAL 108 N 4.94 0.50 -2.34 3.12 0.24 -1.26 -4.49 118.33 119.04 3h1c n VAL 108 Ca 0.12 -0.60 -0.41 0.00 -2.04 0.00 0.00 64.34 61.42 3h1c n VAL 108 Cb 0.45 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 3h1c n VAL 108 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3h1c s ASN 109 N -0.50 7.06 -0.11 -1.34 0.01 -1.26 -4.54 114.94 114.26 3h1c s ASN 109 Ca 0.00 2.33 -0.30 0.00 -0.71 0.00 0.00 52.86 54.19 3h1c s ASN 109 Cb 0.00 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 3h1c s ASN 109 CO 0.00 -0.35 1.25 -0.70 -1.51 0.00 0.00 177.10 175.79 3h1c s GLU 110 N -0.78 4.28 0.04 -0.60 2.12 -1.26 -4.60 118.70 117.90 3h1c s GLU 110 Ca 0.50 1.69 0.07 0.00 0.36 0.00 0.00 54.97 57.59 3h1c s GLU 110 Cb -0.34 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.35 3h1c s GLU 110 CO 0.40 -0.60 -0.20 0.14 -0.54 0.00 0.00 175.26 174.47 3h1c s VAL 111 N 2.96 1.57 -0.09 3.70 -7.23 -1.17 -2.85 120.40 117.30 3h1c s VAL 111 Ca 0.56 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 3h1c s VAL 111 Cb -0.24 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.34 3h1c s VAL 111 CO 0.18 0.17 -0.12 -1.58 -0.31 0.00 0.00 175.10 173.44 3h1c s GLN 112 N -1.19 1.77 -0.41 4.82 0.74 -0.86 -3.09 119.66 121.44 3h1c s GLN 112 Ca 0.06 -0.40 -0.09 0.00 0.05 0.00 0.00 55.36 54.98 3h1c s GLN 112 Cb -0.09 -1.57 0.07 0.00 1.10 0.00 0.00 33.01 32.52 3h1c s GLN 112 CO 0.02 -0.08 0.24 0.08 -0.55 0.00 0.00 175.29 174.99 3h1c s VAL 113 N 1.05 4.22 -0.45 1.34 1.01 -1.22 -2.01 120.40 124.34 3h1c s VAL 113 Ca -0.07 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.46 3h1c s VAL 113 Cb -0.15 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.77 3h1c s VAL 113 CO -0.01 -0.45 0.34 -0.63 0.00 0.00 0.00 175.10 174.35 3h1c s ILE 114 N 1.43 4.79 -0.22 2.22 1.09 0.46 -2.19 121.20 128.79 3h1c s ILE 114 Ca 0.03 -1.25 -0.06 0.00 -1.10 0.00 0.00 60.65 58.27 3h1c s ILE 114 Cb -0.22 -3.91 -0.02 0.00 -1.06 0.00 0.00 42.46 37.24 3h1c s ILE 114 CO 0.03 -0.57 0.02 0.00 -0.10 0.00 0.00 174.94 174.31 3h1c s ALA 115 N 1.54 3.06 -0.04 9.38 0.00 -1.13 -0.60 121.76 133.98 3h1c s ALA 115 Ca 0.04 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.98 3h1c s ALA 115 Cb -0.24 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.00 3h1c s ALA 115 CO 0.04 -0.29 -0.14 -0.08 0.00 0.00 0.00 175.76 175.30 3h1c s THR 116 N 1.24 1.15 -0.21 0.00 -1.32 -0.71 -2.04 115.64 113.76 3h1c s THR 116 Ca 0.04 -0.56 -0.28 0.00 -1.21 0.00 0.00 61.69 59.68 3h1c s THR 116 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 3h1c s THR 116 CO 0.02 0.34 1.00 -0.69 -2.21 0.00 0.00 174.62 173.08 3h1c s VAL 117 N 0.12 4.72 -0.04 5.08 1.01 -0.92 -0.82 120.40 129.55 3h1c s VAL 117 Ca -0.04 1.96 0.06 0.00 0.00 0.00 0.00 61.98 63.96 3h1c s VAL 117 Cb -0.10 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 3h1c s VAL 117 CO 0.01 -0.13 0.07 0.55 0.00 0.00 0.00 175.10 175.60 3h1c n VAL 118 N 5.18 0.27 -3.90 2.92 3.14 -0.85 -3.59 118.33 121.51 3h1c n VAL 118 Ca 0.11 -0.22 -0.11 0.00 -2.96 0.00 0.00 64.34 61.15 3h1c n VAL 118 Cb 0.47 -0.41 -0.11 0.00 -1.06 0.00 0.00 33.84 32.73 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 -3.41 0.08 -0.10 6.55 0.15 -0.99 -4.12 113.70 111.86 3h1c s SER 119 Ca -0.03 -0.23 -0.07 0.00 0.70 0.00 0.00 55.95 56.32 3h1c s SER 119 Cb 0.03 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.54 3h1c s SER 119 CO 0.26 -0.28 0.25 0.54 1.20 0.00 0.00 173.24 175.21 3h1c s VAL 120 N -1.12 -0.02 -0.13 4.45 0.11 -1.17 0.19 120.40 122.71 3h1c s VAL 120 Ca -0.12 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 3h1c s VAL 120 Cb -0.07 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 3h1c s VAL 120 CO 0.00 0.03 0.26 0.21 -3.33 0.00 0.00 175.10 172.27 3h1c s ASN 121 N 0.64 6.45 0.16 3.54 2.47 -1.26 -4.70 114.94 122.24 3h1c s ASN 121 Ca -0.04 0.53 0.11 0.00 0.42 0.00 0.00 52.86 53.88 3h1c s ASN 121 Cb -0.06 -2.16 0.58 0.00 -1.45 0.00 0.00 41.25 38.17 3h1c s ASN 121 CO -0.04 0.21 1.33 -0.81 -3.72 0.00 0.00 177.10 174.07 3h1c n PRO 122 N 2.98 0.07 -0.09 0.43 -0.04 -1.26 -2.33 135.00 134.76 3h1c n PRO 122 Ca -0.14 0.56 -0.10 0.00 -0.04 0.00 0.00 63.50 63.78 3h1c n PRO 122 Cb 0.53 -1.73 -0.12 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.87 1.05 -3.33 0.54 1.13 -1.26 -4.74 117.38 108.90 3h1c n GLN 123 Ca -0.01 0.03 -0.38 0.00 -1.94 0.00 0.00 57.00 54.70 3h1c n GLN 123 Cb 0.02 -1.43 -0.07 0.00 0.11 0.00 0.00 30.24 28.87 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 -2.41 5.18 -0.16 5.09 1.01 -0.98 -3.02 120.40 125.10 3h1c s VAL 124 Ca -0.14 0.88 -0.23 0.00 0.00 0.00 0.00 61.98 62.49 3h1c s VAL 124 Cb 0.06 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3h1c s VAL 124 CO 0.63 0.28 0.71 0.21 0.00 0.00 0.00 175.10 176.93 3h1c s ASN 125 N 0.83 6.84 0.28 3.32 3.84 -1.26 -4.39 114.94 124.39 3h1c s ASN 125 Ca 0.23 1.02 0.23 0.00 0.21 0.00 0.00 52.86 54.55 3h1c s ASN 125 Cb -0.15 -2.39 1.04 0.00 -0.55 0.00 0.00 41.25 39.20 3h1c s ASN 125 CO 0.09 -0.27 1.69 -0.81 -2.79 0.00 0.00 177.10 175.01 3h1c n PRO 126 N 4.81 0.18 -0.20 0.43 -0.04 -1.26 -3.70 135.00 135.21 3h1c n PRO 126 Ca 0.00 0.50 -0.07 0.00 -0.04 0.00 0.00 63.50 63.89 3h1c n PRO 126 Cb 0.50 -1.90 0.03 0.00 -0.04 0.00 0.00 33.50 32.08 3h1c n PRO 126 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3h1c h ASP 127 N 0.00 0.73 1.39 3.54 2.03 -2.00 -0.34 116.42 121.77 3h1c h ASP 127 Ca 0.00 -0.11 -0.11 0.00 -0.73 0.00 0.00 57.03 56.08 3h1c h ASP 127 Cb 0.24 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 38.54 3h1c h ASP 127 CO 0.00 0.63 -0.51 0.16 -1.03 0.00 0.00 179.24 178.49 3h1c h ILE 128 N 0.77 0.90 -0.35 4.15 -0.00 -1.98 -3.13 117.51 117.87 3h1c h ILE 128 Ca 0.20 -2.19 -0.15 0.00 -0.00 0.00 0.00 64.86 62.72 3h1c h ILE 128 Cb 0.08 2.38 -0.01 0.00 -0.00 0.00 0.00 36.82 39.27 3h1c h ILE 128 CO -0.03 0.50 -0.38 0.58 -0.00 0.00 0.00 178.15 178.82 3h1c h VAL 129 N 0.00 1.28 -0.03 0.16 2.07 -1.60 -2.87 116.25 115.26 3h1c h VAL 129 Ca -0.01 -1.55 -0.11 0.00 0.82 0.00 0.00 66.70 65.85 3h1c h VAL 129 Cb 1.34 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3h1c h VAL 129 CO 0.07 0.51 -0.51 0.00 0.02 0.00 0.00 177.57 177.66 3h1c h ALA 130 N 0.87 1.11 -0.14 1.67 0.00 -1.11 -2.29 119.26 119.37 3h1c h ALA 130 Ca 0.06 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 3h1c h ALA 130 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3h1c h ALA 130 CO 0.09 0.65 -0.60 0.52 0.00 0.00 0.00 179.25 179.90 3h1c h MET 131 N 0.05 0.48 -0.28 0.00 2.86 -1.48 -1.83 114.93 114.72 3h1c h MET 131 Ca -0.00 -0.33 -0.16 0.00 -2.06 0.00 0.00 59.70 57.15 3h1c h MET 131 Cb 0.92 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 3h1c h MET 131 CO 0.07 0.94 -0.48 0.82 1.06 0.00 0.00 176.91 179.32 3h1c h ILE 132 N 0.36 1.29 -0.80 -1.22 2.04 -1.45 -2.49 117.51 115.23 3h1c h ILE 132 Ca -0.00 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.14 3h1c h ILE 132 Cb 1.15 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.77 3h1c h ILE 132 CO 0.11 0.54 0.34 1.23 0.00 0.00 0.00 178.15 180.36 3h1c h GLY 133 N 0.88 1.28 1.56 5.37 0.00 -1.27 -0.60 103.07 110.29 3h1c h GLY 133 Ca 0.03 -0.68 -0.17 0.00 0.00 0.00 0.00 47.33 46.51 3h1c h GLY 133 CO 0.10 0.65 -0.64 0.00 0.00 0.00 0.00 176.54 176.65 3h1c h ALA 134 N 1.18 0.67 -0.32 3.60 0.00 -1.36 -2.04 119.26 120.98 3h1c h ALA 134 Ca 0.27 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3h1c h ALA 134 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3h1c h ALA 134 CO -0.02 0.73 -0.27 1.03 0.00 0.00 0.00 179.25 180.71 3h1c h SER 135 N 0.32 0.67 -0.08 0.00 0.87 -1.18 -1.97 113.55 112.19 3h1c h SER 135 Ca -0.01 -0.25 -0.22 0.00 -1.23 0.00 0.00 61.79 60.07 3h1c h SER 135 Cb 1.19 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3h1c h SER 135 CO 0.11 0.91 -0.82 0.00 -0.53 0.00 0.00 176.83 176.51 3h1c h ALA 136 N 1.14 0.20 -0.40 6.23 0.00 -1.10 -3.11 119.26 122.21 3h1c h ALA 136 Ca 0.07 -0.62 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 3h1c h ALA 136 Cb 0.75 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3h1c h ALA 136 CO 0.06 0.61 -0.33 0.00 0.00 0.00 0.00 179.25 179.59 3h1c h ALA 137 N 0.46 0.65 0.00 0.00 0.00 -1.34 -1.74 119.26 117.29 3h1c h ALA 137 Ca -0.08 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3h1c h ALA 137 Cb 1.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3h1c h ALA 137 CO 0.17 0.67 -0.29 -0.07 0.00 0.00 0.00 179.25 179.73 3h1c h LEU 138 N 0.77 0.00 0.00 0.00 3.38 -1.47 -1.69 115.31 116.30 3h1c h LEU 138 Ca 0.08 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 3h1c h LEU 138 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3h1c h LEU 138 CO 0.08 0.29 -1.12 0.28 0.09 0.00 0.00 178.44 178.07 3h1c h SER 139 N 0.00 0.00 0.43 -0.43 0.02 -1.45 -3.33 113.55 108.79 3h1c h SER 139 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h1c h SER 139 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3h1c h SER 139 CO 0.04 0.80 -0.51 0.18 -1.14 0.00 0.00 176.83 176.19 3h1c n LEU 140 N -3.16 0.60 -0.00 5.07 4.77 -0.67 -4.27 117.00 119.34 3h1c n LEU 140 Ca -0.05 -0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.69 3h1c n LEU 140 Cb 0.90 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.67 3h1c n LEU 140 CO 0.44 0.14 0.28 0.77 -1.33 0.00 0.00 177.39 177.69 3h1c h SER 141 N 0.14 0.56 0.00 -1.43 4.64 -1.41 -2.83 113.55 113.22 3h1c h SER 141 Ca 0.00 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 3h1c h SER 141 Cb 0.50 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3h1c h SER 141 CO 0.00 1.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 3h1c n GLY 142 N 0.98 2.33 3.71 -0.77 0.00 -1.25 -4.70 105.19 105.50 3h1c n GLY 142 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.45 2.40 -0.56 -0.61 1.01 -1.26 -0.29 121.20 119.44 3h1c s ILE 143 Ca 0.00 0.22 -0.40 0.00 0.00 0.00 0.00 60.65 60.47 3h1c s ILE 143 Cb 0.00 -3.14 -0.18 0.00 0.01 0.00 0.00 42.46 39.14 3h1c s ILE 143 CO 0.00 0.01 2.24 -0.81 0.00 0.00 0.00 174.94 176.39 3h1c n PRO 144 N 4.32 0.18 -3.58 2.79 -0.04 -1.26 -4.90 135.00 132.51 3h1c n PRO 144 Ca 0.15 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.53 3h1c n PRO 144 Cb 0.37 -1.68 -0.12 0.00 -0.04 0.00 0.00 33.50 32.04 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 6.79 -0.52 -0.13 0.54 5.36 -1.26 -4.46 117.98 124.30 3h1c s PHE 145 Ca 1.21 0.90 0.01 0.00 -0.96 0.00 0.00 56.93 58.08 3h1c s PHE 145 Cb -1.34 -0.03 0.17 0.00 -0.34 0.00 0.00 43.02 41.47 3h1c s PHE 145 CO 0.60 -0.48 1.41 0.09 -1.46 0.00 0.00 175.22 175.38 3h1c n ASN 146 N 5.35 3.81 -1.37 6.13 3.02 -1.01 -4.84 115.26 126.37 3h1c n ASN 146 Ca -0.06 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.98 3h1c n ASN 146 Cb 0.50 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 3h1c n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1c n GLY 147 N 0.23 1.33 3.94 7.41 0.00 -1.26 -5.00 105.19 111.84 3h1c n GLY 147 Ca 0.16 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.30 3h1c n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1c s PRO 148 N 1.78 2.23 0.21 1.61 0.05 -1.26 -4.99 135.00 134.63 3h1c s PRO 148 Ca 0.00 -0.37 0.10 0.00 0.05 0.00 0.00 61.00 60.78 3h1c s PRO 148 Cb 0.00 -2.23 -0.04 0.00 0.05 0.00 0.00 34.50 32.28 3h1c s PRO 148 CO 0.00 -1.16 -0.13 0.96 0.05 0.00 0.00 177.00 176.72 3h1c s ILE 149 N -3.16 2.95 0.20 0.56 -4.36 -1.26 -4.31 121.20 111.81 3h1c s ILE 149 Ca 0.60 -1.87 0.07 0.00 -0.26 0.00 0.00 60.65 59.19 3h1c s ILE 149 Cb -0.11 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 3h1c s ILE 149 CO 0.44 -0.18 0.06 -0.83 0.24 0.00 0.00 174.94 174.67 3h1c s GLY 150 N -2.99 1.66 -0.10 6.27 0.00 -0.92 -4.73 107.32 106.50 3h1c s GLY 150 Ca 0.25 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.62 3h1c s GLY 150 CO 0.15 -1.41 -0.19 0.00 0.00 0.00 0.00 173.10 171.65 3h1c s ALA 151 N -1.90 1.86 -0.04 3.20 0.00 -1.26 -3.55 121.76 120.07 3h1c s ALA 151 Ca 0.30 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 3h1c s ALA 151 Cb -0.09 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.26 3h1c s ALA 151 CO 0.21 0.09 0.08 0.00 0.00 0.00 0.00 175.76 176.14 3h1c s ALA 152 N 0.68 -0.10 -0.23 0.00 0.00 -1.03 -4.88 121.76 116.19 3h1c s ALA 152 Ca -0.12 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 3h1c s ALA 152 Cb -0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 3h1c s ALA 152 CO 0.03 -0.10 0.12 0.50 0.00 0.00 0.00 175.76 176.30 3h1c s ARG 153 N 0.82 3.92 -0.21 0.00 3.52 -1.26 -1.45 118.95 124.28 3h1c s ARG 153 Ca -0.07 -0.35 -0.05 0.00 -0.13 0.00 0.00 55.73 55.14 3h1c s ARG 153 Cb -0.09 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 3h1c s ARG 153 CO -0.03 0.01 -0.02 0.08 -0.81 0.00 0.00 175.30 174.53 3h1c s VAL 154 N 1.14 3.72 0.40 7.11 1.01 -0.44 0.32 120.40 133.65 3h1c s VAL 154 Ca 0.06 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3h1c s VAL 154 Cb -0.14 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3h1c s VAL 154 CO 0.04 0.42 0.39 -0.83 0.00 0.00 0.00 175.10 175.13 3h1c s GLY 155 N 1.18 2.02 -0.38 4.51 0.00 0.46 -2.74 107.32 112.37 3h1c s GLY 155 Ca 0.03 -1.79 0.02 0.00 0.00 0.00 0.00 44.72 42.97 3h1c s GLY 155 CO 0.00 -1.63 0.27 -0.47 0.00 0.00 0.00 173.10 171.28 3h1c s TYR 156 N -2.41 0.88 -0.19 1.90 5.04 -1.25 -1.30 117.35 120.03 3h1c s TYR 156 Ca 0.48 -1.96 -0.05 0.00 -2.44 0.00 0.00 57.07 53.10 3h1c s TYR 156 Cb -0.05 -0.91 -0.02 0.00 0.35 0.00 0.00 41.96 41.33 3h1c s TYR 156 CO 0.29 -0.83 -0.01 0.42 -1.34 0.00 0.00 175.55 174.07 3h1c s ILE 157 N 0.59 3.87 -1.22 3.14 1.01 -0.74 -2.11 121.20 125.73 3h1c s ILE 157 Ca 0.25 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 3h1c s ILE 157 Cb -0.10 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3h1c s ILE 157 CO -0.09 0.44 0.75 0.59 0.00 0.00 0.00 174.94 176.63 3h1c n ASN 158 N 4.15 -3.11 -0.15 3.58 3.02 -1.26 -2.20 115.26 119.29 3h1c n ASN 158 Ca -0.17 -0.86 -0.02 0.00 -0.03 0.00 0.00 54.58 53.49 3h1c n ASN 158 Cb 0.52 -4.02 -0.01 0.00 -0.61 0.00 0.00 39.78 35.66 3h1c n ASN 158 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3h1c n ASP 159 N -2.98 -5.81 -4.29 6.41 8.00 -1.26 -4.96 116.55 111.67 3h1c n ASP 159 Ca -0.21 0.05 -0.28 0.00 0.71 0.00 0.00 54.79 55.06 3h1c n ASP 159 Cb 0.65 -3.49 -0.15 0.00 -0.02 0.00 0.00 41.12 38.11 3h1c n ASP 159 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3h1c s GLN 160 N -2.08 1.68 -0.00 -1.24 -1.52 -0.93 -5.12 119.66 110.44 3h1c s GLN 160 Ca 0.00 -0.98 -0.29 0.00 -1.95 0.00 0.00 55.36 52.15 3h1c s GLN 160 Cb 0.00 -1.77 -0.03 0.00 -0.22 0.00 0.00 33.01 30.99 3h1c s GLN 160 CO 0.00 0.46 0.92 0.71 -0.25 0.00 0.00 175.29 177.13 3h1c s TYR 161 N -0.73 3.66 -0.12 0.91 1.51 -1.26 -1.80 117.35 119.52 3h1c s TYR 161 Ca 0.10 1.61 0.03 0.00 -1.01 0.00 0.00 57.07 57.79 3h1c s TYR 161 Cb -0.09 -3.04 0.00 0.00 -0.11 0.00 0.00 41.96 38.72 3h1c s TYR 161 CO 0.01 0.04 -0.22 0.08 -1.11 0.00 0.00 175.55 174.35 3h1c s VAL 162 N 0.86 2.14 -0.05 0.71 1.01 -0.42 -4.97 120.40 119.69 3h1c s VAL 162 Ca 0.48 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 3h1c s VAL 162 Cb -0.20 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3h1c s VAL 162 CO 0.26 0.55 0.80 -0.22 0.00 0.00 0.00 175.10 176.50 3h1c s LEU 163 N 0.55 4.33 -0.54 3.92 2.96 -1.26 -0.41 118.68 128.24 3h1c s LEU 163 Ca -0.13 1.36 -0.21 0.00 -0.22 0.00 0.00 54.13 54.92 3h1c s LEU 163 Cb -0.17 -3.26 0.03 0.00 0.50 0.00 0.00 46.19 43.29 3h1c s LEU 163 CO 0.04 -0.18 0.64 0.59 -1.32 0.00 0.00 176.35 176.13 3h1c n ASN 164 N 3.86 -6.45 -4.76 3.68 3.02 0.15 -4.96 115.26 109.81 3h1c n ASN 164 Ca 0.02 -0.05 -0.39 0.00 -0.03 0.00 0.00 54.58 54.12 3h1c n ASN 164 Cb 0.51 -3.27 -0.06 0.00 -0.61 0.00 0.00 39.78 36.35 3h1c n ASN 164 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3h1c s PRO 165 N -2.95 4.76 0.85 3.52 0.05 -1.26 -5.06 135.00 134.91 3h1c s PRO 165 Ca 0.24 1.40 -0.12 0.00 0.05 0.00 0.00 61.00 62.57 3h1c s PRO 165 Cb -0.04 -3.18 0.10 0.00 0.05 0.00 0.00 34.50 31.43 3h1c s PRO 165 CO 0.83 0.48 1.12 0.95 0.05 0.00 0.00 177.00 180.43 3h1c s THR 166 N -1.26 2.54 0.50 1.26 -4.23 -1.26 -4.83 115.64 108.36 3h1c s THR 166 Ca 0.42 0.18 0.26 0.00 -1.18 0.00 0.00 61.69 61.36 3h1c s THR 166 Cb -0.24 -2.92 0.30 0.00 1.34 0.00 0.00 72.50 70.98 3h1c s THR 166 CO 0.29 -0.23 2.15 1.56 -0.54 0.00 0.00 174.62 177.85 3h1c h GLN 167 N -1.29 0.00 0.01 3.99 1.08 -1.83 -0.77 115.11 116.31 3h1c h GLN 167 Ca -0.49 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.49 3h1c h GLN 167 Cb 1.30 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.70 3h1c h GLN 167 CO 0.61 0.07 -1.08 -0.44 -0.95 0.00 0.00 178.83 177.04 3h1c h ASP 168 N 0.00 0.04 1.81 1.46 3.32 -1.92 -3.32 116.42 117.81 3h1c h ASP 168 Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3h1c h ASP 168 Cb 0.16 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3h1c h ASP 168 CO 0.01 1.03 0.00 -0.33 -1.72 0.00 0.00 179.24 178.23 3h1c h GLU 169 N 0.01 0.00 0.00 3.56 5.08 -1.53 -3.25 114.58 118.45 3h1c h GLU 169 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3h1c h GLU 169 Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 3h1c h GLU 169 CO 0.13 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 178.07 3h1c h LEU 170 N 0.00 0.00 -1.07 1.33 3.38 -1.41 -3.01 115.31 114.54 3h1c h LEU 170 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3h1c h LEU 170 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3h1c h LEU 170 CO 0.00 0.00 -0.46 0.11 0.09 0.00 0.00 178.44 178.18 3h1c h LYS 171 N 0.00 0.00 0.00 1.13 1.57 -1.74 -3.06 116.57 114.47 3h1c h LYS 171 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3h1c h LYS 171 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 3h1c h LYS 171 CO 0.00 0.46 -1.24 0.93 -0.57 0.00 0.00 179.45 179.03 3h1c h GLU 172 N 0.00 0.00 -6.99 3.15 4.39 -1.75 -3.47 114.58 109.91 3h1c h GLU 172 Ca -0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.21 3h1c h GLU 172 Cb 0.83 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.50 3h1c h GLU 172 CO 0.06 0.18 0.42 0.45 -1.16 0.00 0.00 179.01 178.96 3h1c s SER 173 N -5.64 6.61 0.00 1.42 0.15 -1.16 -4.75 113.70 110.33 3h1c s SER 173 Ca -0.02 2.05 0.16 0.00 0.70 0.00 0.00 55.95 58.84 3h1c s SER 173 Cb 0.09 -2.58 0.40 0.00 -1.71 0.00 0.00 66.02 62.21 3h1c s SER 173 CO 0.80 -0.60 1.32 0.29 1.20 0.00 0.00 173.24 176.25 3h1c n LYS 174 N -0.29 2.55 -3.75 5.44 4.01 -0.90 -4.93 118.16 120.30 3h1c n LYS 174 Ca 0.06 -2.17 -0.13 0.00 -0.51 0.00 0.00 58.31 55.56 3h1c n LYS 174 Cb 0.50 -1.38 -0.11 0.00 -0.51 0.00 0.00 35.03 33.53 3h1c n LYS 174 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3h1c s LEU 175 N -1.06 0.63 -0.31 -0.35 2.96 -1.26 -1.48 118.68 117.79 3h1c s LEU 175 Ca 0.32 0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 54.90 3h1c s LEU 175 Cb 0.17 1.16 0.12 0.00 0.50 0.00 0.00 46.19 48.14 3h1c s LEU 175 CO 0.23 -0.13 0.18 -0.62 -1.32 0.00 0.00 176.35 174.70 3h1c s ASP 176 N 0.31 3.04 0.08 3.68 2.15 -0.68 -3.77 116.67 121.49 3h1c s ASP 176 Ca -0.01 -1.52 0.09 0.00 0.43 0.00 0.00 52.55 51.54 3h1c s ASP 176 Cb -0.03 -0.22 -0.03 0.00 -0.30 0.00 0.00 42.92 42.34 3h1c s ASP 176 CO -0.01 -0.39 -0.24 -1.48 -0.17 0.00 0.00 175.17 172.89 3h1c s LEU 177 N 1.79 2.24 -0.33 -1.34 0.05 -1.11 -3.10 118.68 116.87 3h1c s LEU 177 Ca 0.12 -0.63 -0.02 0.00 0.05 0.00 0.00 54.13 53.65 3h1c s LEU 177 Cb -0.18 -1.08 0.07 0.00 -2.05 0.00 0.00 46.19 42.94 3h1c s LEU 177 CO -0.23 0.16 0.05 -0.69 -0.55 0.00 0.00 176.35 175.09 3h1c s VAL 178 N -0.95 3.02 -0.13 1.48 1.01 -0.47 -1.33 120.40 123.04 3h1c s VAL 178 Ca 0.10 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.40 3h1c s VAL 178 Cb -0.10 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 3h1c s VAL 178 CO 0.03 -0.26 0.19 0.54 0.00 0.00 0.00 175.10 175.60 3h1c s VAL 179 N 1.21 5.40 0.01 2.92 0.11 -0.53 -2.95 120.40 126.57 3h1c s VAL 179 Ca -0.01 0.32 0.01 0.00 -2.93 0.00 0.00 61.98 59.37 3h1c s VAL 179 Cb -0.20 -3.48 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 3h1c s VAL 179 CO -0.02 0.54 -0.04 0.00 -3.33 0.00 0.00 175.10 172.25 3h1c s ALA 180 N -0.49 0.33 0.00 1.54 0.00 -1.22 -2.47 121.76 119.45 3h1c s ALA 180 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3h1c s ALA 180 Cb -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3h1c s ALA 180 CO 0.04 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.25 3h1c n GLY 181 N 2.68 0.89 1.01 0.00 0.00 -1.23 -0.35 105.19 108.19 3h1c n GLY 181 Ca -0.15 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 3h1c n GLY 181 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1c n THR 182 N -0.27 0.00 0.01 2.61 -2.24 0.92 -2.17 114.28 113.14 3h1c n THR 182 Ca 0.00 -0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 61.52 3h1c n THR 182 Cb 0.00 -1.65 0.21 0.00 -2.10 0.00 0.00 70.33 66.79 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 0.49 0.04 -0.78 4.81 -1.95 -3.33 114.58 113.87 3h1c h GLU 183 Ca -0.11 -0.17 -0.37 0.00 -0.13 0.00 0.00 59.36 58.58 3h1c h GLU 183 Cb 0.32 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 3h1c h GLU 183 CO 0.08 0.68 -2.20 0.00 -0.73 0.00 0.00 179.01 176.84 3h1c n ALA 184 N -2.49 1.26 -2.43 2.92 0.00 -1.26 -5.03 120.51 113.48 3h1c n ALA 184 Ca -0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 53.44 52.43 3h1c n ALA 184 Cb 0.39 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.32 3h1c n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1c s ALA 185 N -2.54 0.52 0.60 0.00 0.00 -1.25 -4.84 121.76 114.25 3h1c s ALA 185 Ca -0.23 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 3h1c s ALA 185 Cb 0.08 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3h1c s ALA 185 CO 0.72 -0.24 0.99 0.08 0.00 0.00 0.00 175.76 177.31 3h1c s VAL 186 N -2.90 4.54 0.00 0.00 1.01 -1.26 -0.05 120.40 121.73 3h1c s VAL 186 Ca -0.00 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3h1c s VAL 186 Cb 0.01 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3h1c s VAL 186 CO -0.05 -0.99 0.00 0.18 0.00 0.00 0.00 175.10 174.23 3h1c n LEU 187 N -2.68 0.00 -4.97 3.92 4.77 0.53 -4.79 117.00 113.79 3h1c n LEU 187 Ca 0.05 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.76 3h1c n LEU 187 Cb 0.55 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.80 3h1c n LEU 187 CO 0.57 0.00 0.73 -0.04 -1.33 0.00 0.00 177.39 177.32 3h1c s MET 188 N 0.89 0.97 0.00 3.23 1.00 -1.16 -3.16 119.30 121.06 3h1c s MET 188 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 55.69 54.84 3h1c s MET 188 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 34.83 32.76 3h1c s MET 188 CO 0.00 -2.06 0.00 0.28 0.00 0.00 0.00 175.02 173.24 3h1c n VAL 189 N -3.37 0.00 -4.03 -6.03 0.31 0.37 -3.42 118.33 102.15 3h1c n VAL 189 Ca 0.16 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.26 3h1c n VAL 189 Cb 0.60 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.36 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 1.02 0.29 5.55 2.12 -1.15 0.53 118.70 127.06 3h1c s GLU 190 Ca 0.00 -0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.25 3h1c s GLU 190 Cb 0.00 -1.11 -0.01 0.00 0.26 0.00 0.00 34.13 33.27 3h1c s GLU 190 CO 0.00 -0.18 0.10 0.45 -0.54 0.00 0.00 175.26 175.10 3h1c n SER 191 N 4.55 1.17 -3.42 -1.70 2.88 -0.45 -1.37 113.62 115.29 3h1c n SER 191 Ca -0.16 -2.55 0.01 0.00 -1.33 0.00 0.00 58.87 54.84 3h1c n SER 191 Cb 0.50 0.73 -0.05 0.00 -0.75 0.00 0.00 64.21 64.65 3h1c n SER 191 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3h1c s GLU 192 N -3.11 0.25 -0.25 -1.46 2.12 -1.18 -4.12 118.70 110.95 3h1c s GLU 192 Ca 0.15 0.58 -0.08 0.00 0.36 0.00 0.00 54.97 55.98 3h1c s GLU 192 Cb 0.01 0.29 0.12 0.00 0.26 0.00 0.00 34.13 34.81 3h1c s GLU 192 CO 0.10 -0.08 0.53 0.00 -0.54 0.00 0.00 175.26 175.27 3h1c s ALA 193 N 2.11 -1.61 -1.07 6.30 0.00 -0.56 -1.68 121.76 125.25 3h1c s ALA 193 Ca -0.04 1.86 -0.25 0.00 0.00 0.00 0.00 51.96 53.54 3h1c s ALA 193 Cb -0.05 -1.59 -0.15 0.00 0.00 0.00 0.00 23.12 21.33 3h1c s ALA 193 CO -0.16 -0.89 2.07 -0.65 0.00 0.00 0.00 175.76 176.13 3h1c s GLN 194 N 2.75 1.79 -1.04 0.00 1.11 -0.55 -3.89 119.66 119.84 3h1c s GLN 194 Ca -0.01 -0.57 -0.14 0.00 0.01 0.00 0.00 55.36 54.64 3h1c s GLN 194 Cb -0.12 -5.06 -0.01 0.00 -1.01 0.00 0.00 33.01 26.81 3h1c s GLN 194 CO -0.16 -4.69 0.77 1.28 0.01 0.00 0.00 175.29 172.50 3h1c n LEU 195 N 17.28 -3.53 -4.93 2.90 4.32 -1.17 -4.98 117.00 126.90 3h1c n LEU 195 Ca 0.43 -0.85 -0.28 0.00 -0.02 0.00 0.00 56.01 55.28 3h1c n LEU 195 Cb 0.46 -2.50 -0.03 0.00 -1.62 0.00 0.00 43.42 39.73 3h1c n LEU 195 CO 0.62 0.21 -0.09 -0.76 -1.22 0.00 0.00 177.39 176.14 3h1c s LEU 196 N -5.86 4.33 1.00 2.23 1.43 -0.99 -4.52 118.68 116.29 3h1c s LEU 196 Ca 0.36 0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 3h1c s LEU 196 Cb -0.12 -2.98 0.19 0.00 0.03 0.00 0.00 46.19 43.30 3h1c s LEU 196 CO 0.84 0.08 1.12 -0.94 0.23 0.00 0.00 176.35 177.68 3h1c s SER 197 N -2.94 2.69 0.16 2.29 1.04 -1.26 -0.05 113.70 115.64 3h1c s SER 197 Ca 0.36 0.98 -0.12 0.00 0.48 0.00 0.00 55.95 57.65 3h1c s SER 197 Cb -0.12 -1.54 0.05 0.00 0.10 0.00 0.00 66.02 64.51 3h1c s SER 197 CO 0.28 -3.07 1.67 -0.33 0.98 0.00 0.00 173.24 172.77 3h1c h GLU 198 N -1.85 0.88 0.00 4.02 3.07 -1.97 -2.50 114.58 116.23 3h1c h GLU 198 Ca -0.52 -0.21 -0.09 0.00 -0.50 0.00 0.00 59.36 58.04 3h1c h GLU 198 Cb 1.33 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 3h1c h GLU 198 CO 0.56 0.83 -0.43 -0.44 -1.40 0.00 0.00 179.01 178.13 3h1c h ASP 199 N 0.78 0.00 0.04 1.42 3.32 -1.99 -1.39 116.42 118.60 3h1c h ASP 199 Ca 0.17 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.99 3h1c h ASP 199 Cb 0.35 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.90 3h1c h ASP 199 CO 0.00 0.43 -0.87 1.56 -1.72 0.00 0.00 179.24 178.64 3h1c h GLN 200 N 0.00 0.64 -0.02 3.56 4.20 -1.91 -2.10 115.11 119.49 3h1c h GLN 200 Ca -0.00 -0.59 -0.21 0.00 0.06 0.00 0.00 58.65 57.90 3h1c h GLN 200 Cb 0.84 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 3h1c h GLN 200 CO 0.06 1.20 -0.87 0.52 -0.67 0.00 0.00 178.83 179.07 3h1c h MET 201 N 0.41 0.36 -0.11 1.46 2.86 -1.34 -2.91 114.93 115.66 3h1c h MET 201 Ca -0.07 -0.36 -0.18 0.00 -2.06 0.00 0.00 59.70 57.02 3h1c h MET 201 Cb 1.50 0.10 0.01 0.00 0.06 0.00 0.00 31.60 33.26 3h1c h MET 201 CO 0.17 1.04 -0.63 1.25 1.06 0.00 0.00 176.91 179.79 3h1c h LEU 202 N 0.21 0.75 -1.52 1.22 5.85 -1.33 -3.19 115.31 117.30 3h1c h LEU 202 Ca -0.06 -0.65 -0.05 0.00 0.84 0.00 0.00 57.88 57.96 3h1c h LEU 202 Cb 1.49 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3h1c h LEU 202 CO 0.15 1.28 -0.23 1.23 -0.34 0.00 0.00 178.44 180.52 3h1c h GLY 203 N 0.27 0.00 1.86 3.75 0.00 -1.46 -2.77 103.07 104.72 3h1c h GLY 203 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 3h1c h GLY 203 CO 0.13 0.00 -0.69 0.00 0.00 0.00 0.00 176.54 175.98 3h1c h ALA 204 N 1.77 0.79 -0.36 3.60 0.00 -1.54 -0.68 119.26 122.83 3h1c h ALA 204 Ca -0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 3h1c h ALA 204 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3h1c h ALA 204 CO 0.03 0.81 -0.24 0.28 0.00 0.00 0.00 179.25 180.13 3h1c h VAL 205 N 0.10 1.29 -0.41 0.00 2.07 -1.48 -2.39 116.25 115.42 3h1c h VAL 205 Ca -0.01 -1.39 -0.12 0.00 0.82 0.00 0.00 66.70 65.99 3h1c h VAL 205 Cb 1.23 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3h1c h VAL 205 CO 0.10 0.46 -0.23 0.58 0.02 0.00 0.00 177.57 178.50 3h1c h VAL 206 N 0.59 1.27 0.06 2.57 2.07 -1.46 -1.95 116.25 119.40 3h1c h VAL 206 Ca 0.07 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3h1c h VAL 206 Cb 0.81 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3h1c h VAL 206 CO 0.07 0.46 -0.07 0.15 0.02 0.00 0.00 177.57 178.20 3h1c h PHE 207 N 0.73 -0.17 -0.09 1.57 3.57 -1.07 -2.09 116.94 119.39 3h1c h PHE 207 Ca 0.10 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 3h1c h PHE 207 Cb 0.77 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3h1c h PHE 207 CO 0.04 -0.11 -0.46 0.78 -2.23 0.00 0.00 178.31 176.34 3h1c h GLY 208 N -0.15 0.24 1.54 2.40 0.00 -1.42 -2.44 103.07 103.23 3h1c h GLY 208 Ca 0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 3h1c h GLY 208 CO -0.03 0.22 -0.28 0.84 0.00 0.00 0.00 176.54 177.30 3h1c h HIS 209 N 0.18 0.60 0.00 5.60 -0.00 -1.23 -1.84 115.15 118.46 3h1c h HIS 209 Ca 0.01 -0.14 -0.20 0.00 -0.00 0.00 0.00 60.37 60.05 3h1c h HIS 209 Cb 0.88 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 28.12 3h1c h HIS 209 CO 0.01 0.76 -0.93 0.93 -0.00 0.00 0.00 177.93 178.70 3h1c h GLU 210 N 0.46 0.01 0.00 5.26 5.08 -1.28 -3.31 114.58 120.80 3h1c h GLU 210 Ca 0.06 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3h1c h GLU 210 Cb 0.72 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3h1c h GLU 210 CO 0.06 0.93 -0.73 1.96 -1.00 0.00 0.00 179.01 180.23 3h1c h GLN 211 N 0.00 0.00 -0.04 2.33 1.08 -1.31 -3.24 115.11 113.93 3h1c h GLN 211 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3h1c h GLN 211 Cb 1.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.07 3h1c h GLN 211 CO 0.12 0.73 0.00 0.00 -0.95 0.00 0.00 178.83 178.73 3h1c n GLN 212 N -3.32 1.27 0.09 1.46 10.64 -0.71 -3.96 117.38 122.86 3h1c n GLN 212 Ca 0.01 -0.40 -0.01 0.00 -1.83 0.00 0.00 57.00 54.77 3h1c n GLN 212 Cb 0.81 -1.40 0.27 0.00 -0.86 0.00 0.00 30.24 29.06 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 0.87 0.26 0.00 2.61 1.08 -1.66 -2.91 115.11 115.36 3h1c h GLN 213 Ca 0.00 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 3h1c h GLN 213 Cb 0.19 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3h1c h GLN 213 CO 0.00 0.55 -0.24 -0.39 -0.95 0.00 0.00 178.83 177.80 3h1c h VAL 214 N 0.23 0.67 -0.10 -0.54 -1.51 -1.83 -2.42 116.25 110.75 3h1c h VAL 214 Ca 0.03 -1.06 -0.07 0.00 -1.23 0.00 0.00 66.70 64.37 3h1c h VAL 214 Cb 0.68 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 3h1c h VAL 214 CO 0.05 0.23 -0.20 0.58 -1.23 0.00 0.00 177.57 177.00 3h1c h VAL 215 N 0.00 1.40 -0.56 7.19 2.07 -1.78 -2.97 116.25 121.59 3h1c h VAL 215 Ca -0.00 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 3h1c h VAL 215 Cb 0.66 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 3h1c h VAL 215 CO 0.03 0.43 0.15 0.40 0.02 0.00 0.00 177.57 178.60 3h1c h ILE 216 N -0.14 1.23 -0.65 4.57 2.04 -1.51 -2.19 117.51 120.85 3h1c h ILE 216 Ca 0.00 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 3h1c h ILE 216 Cb 0.80 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3h1c h ILE 216 CO 0.05 0.30 0.13 1.56 0.00 0.00 0.00 178.15 180.19 3h1c h GLN 217 N 0.83 1.05 0.00 2.37 4.20 -1.49 -1.88 115.11 120.18 3h1c h GLN 217 Ca 0.18 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 3h1c h GLN 217 Cb 0.28 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3h1c h GLN 217 CO -0.00 0.94 -0.52 -0.91 -0.67 0.00 0.00 178.83 177.67 3h1c h ASN 218 N 0.99 0.00 -0.10 1.46 2.35 -1.33 -2.57 115.58 116.39 3h1c h ASN 218 Ca 0.20 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 3h1c h ASN 218 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3h1c h ASN 218 CO 0.01 0.52 -0.29 0.40 -1.65 0.00 0.00 177.43 176.41 3h1c h ILE 219 N 0.00 1.39 -0.52 2.81 2.04 -1.26 -2.88 117.51 119.09 3h1c h ILE 219 Ca -0.01 -1.62 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 3h1c h ILE 219 Cb 1.19 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 39.40 3h1c h ILE 219 CO 0.07 0.47 0.30 0.78 0.00 0.00 0.00 178.15 179.77 3h1c h ASN 220 N -0.06 0.61 0.64 1.72 2.35 -1.34 -1.44 115.58 118.07 3h1c h ASN 220 Ca -0.01 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 3h1c h ASN 220 Cb 0.91 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 3h1c h ASN 220 CO 0.06 0.48 -0.59 -0.33 -1.65 0.00 0.00 177.43 175.40 3h1c h GLU 221 N 0.71 0.00 -0.01 0.81 4.39 -1.51 -2.69 114.58 116.27 3h1c h GLU 221 Ca 0.19 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.70 3h1c h GLU 221 Cb -0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3h1c h GLU 221 CO -0.03 0.59 -0.83 1.25 -1.16 0.00 0.00 179.01 178.83 3h1c h LEU 222 N 0.00 0.27 -0.81 1.33 6.46 -1.15 -2.71 115.31 118.69 3h1c h LEU 222 Ca -0.01 -0.20 -0.09 0.00 -0.12 0.00 0.00 57.88 57.46 3h1c h LEU 222 Cb 1.07 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.90 3h1c h LEU 222 CO 0.08 0.98 -0.08 0.58 -0.62 0.00 0.00 178.44 179.37 3h1c h VAL 223 N 0.13 1.26 0.00 1.05 2.07 -1.22 -0.88 116.25 118.66 3h1c h VAL 223 Ca -0.04 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 3h1c h VAL 223 Cb 1.43 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3h1c h VAL 223 CO 0.13 0.39 -0.07 0.11 0.02 0.00 0.00 177.57 178.15 3h1c h LYS 224 N 0.73 0.00 0.00 1.57 1.57 -1.41 -2.43 116.57 116.60 3h1c h LYS 224 Ca 0.13 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 3h1c h LYS 224 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3h1c h LYS 224 CO 0.03 0.07 -1.00 0.39 -0.57 0.00 0.00 179.45 178.37 3h1c n GLU 225 N -3.19 0.52 -3.11 3.15 1.02 -1.00 -4.80 120.64 113.24 3h1c n GLU 225 Ca 0.01 0.54 -0.16 0.00 -0.02 0.00 0.00 57.16 57.53 3h1c n GLU 225 Cb 0.36 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 3h1c n GLU 225 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h1c n ALA 226 N -3.55 1.87 -2.82 0.62 0.00 -0.37 -5.10 120.51 111.17 3h1c n ALA 226 Ca -0.23 -3.20 -0.33 0.00 0.00 0.00 0.00 53.44 49.68 3h1c n ALA 226 Cb 0.52 -0.95 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 3h1c n ALA 226 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h1c s GLY 227 N -2.38 1.66 0.15 0.00 0.00 -0.91 -4.85 107.32 100.99 3h1c s GLY 227 Ca 0.37 -0.87 -0.31 0.00 0.00 0.00 0.00 44.72 43.91 3h1c s GLY 227 CO -0.07 -0.35 1.42 0.54 0.00 0.00 0.00 173.10 174.65 3h1c s LYS 228 N -0.12 4.30 0.37 2.90 1.02 -1.07 -4.94 119.74 122.19 3h1c s LYS 228 Ca 0.01 2.15 -0.26 0.00 0.02 0.00 0.00 55.97 57.90 3h1c s LYS 228 Cb -0.13 -3.21 -0.12 0.00 -0.52 0.00 0.00 37.83 33.85 3h1c s LYS 228 CO 0.03 -0.45 1.00 -0.35 -0.92 0.00 0.00 175.35 174.66 3h1c n PRO 229 N 3.67 1.37 -1.71 -1.68 -0.04 -1.26 -3.90 135.00 131.46 3h1c n PRO 229 Ca 0.11 0.49 -0.41 0.00 -0.04 0.00 0.00 63.50 63.65 3h1c n PRO 229 Cb 0.41 -1.96 0.01 0.00 -0.04 0.00 0.00 33.50 31.92 3h1c n PRO 229 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3h1c n ARG 230 N 0.41 2.01 -1.93 0.54 0.00 -1.26 -4.57 116.66 111.86 3h1c n ARG 230 Ca 0.09 0.71 -0.41 0.00 -0.00 0.00 0.00 57.85 58.24 3h1c n ARG 230 Cb 0.36 -2.40 -0.02 0.00 -0.00 0.00 0.00 32.46 30.41 3h1c n ARG 230 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3h1c s TRP 231 N -1.18 2.89 -1.16 2.89 0.52 0.60 -4.92 118.94 118.58 3h1c s TRP 231 Ca 0.60 1.02 -0.21 0.00 0.02 0.00 0.00 56.10 57.52 3h1c s TRP 231 Cb -0.51 -3.90 0.03 0.00 -1.15 0.00 0.00 33.47 27.93 3h1c s TRP 231 CO 0.59 -2.89 1.71 0.34 0.02 0.00 0.00 176.95 176.72 3h1c s ASP 232 N 0.24 6.28 -0.03 2.95 2.15 -1.26 -4.89 116.67 122.11 3h1c s ASP 232 Ca 0.58 -1.87 0.05 0.00 0.43 0.00 0.00 52.55 51.74 3h1c s ASP 232 Cb -0.44 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 39.60 3h1c s ASP 232 CO 0.48 -1.73 -0.17 0.86 -0.17 0.00 0.00 175.17 174.43 3h1c s TRP 233 N 6.13 1.68 -0.04 -5.34 -0.00 -1.26 -5.13 118.94 114.98 3h1c s TRP 233 Ca 0.56 -0.43 -0.00 0.00 -0.00 0.00 0.00 56.10 56.23 3h1c s TRP 233 Cb 0.01 -1.11 0.03 0.00 -0.00 0.00 0.00 33.47 32.39 3h1c s TRP 233 CO 0.03 -0.12 0.01 -0.65 -0.00 0.00 0.00 176.95 176.22 3h1c s GLN 234 N -0.11 0.31 1.00 5.86 -1.52 -1.26 -5.14 119.66 118.80 3h1c s GLN 234 Ca -0.00 0.11 -0.12 0.00 -1.95 0.00 0.00 55.36 53.40 3h1c s GLN 234 Cb -0.10 -0.57 0.19 0.00 -0.22 0.00 0.00 33.01 32.31 3h1c s GLN 234 CO 0.01 -0.18 1.08 -1.25 -0.25 0.00 0.00 175.29 174.70 3h1c s PRO 235 N 1.31 0.42 0.08 2.91 0.04 -1.26 -4.93 135.00 133.57 3h1c s PRO 235 Ca -0.06 0.81 -0.31 0.00 0.04 0.00 0.00 61.00 61.49 3h1c s PRO 235 Cb -0.13 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 3h1c s PRO 235 CO -0.02 -2.81 1.84 -2.00 0.04 0.00 0.00 177.00 174.05 3h1c s GLU 236 N -4.79 4.15 0.54 4.56 2.56 -1.26 -4.94 118.70 119.52 3h1c s GLU 236 Ca 0.66 2.55 -0.21 0.00 0.00 0.00 0.00 54.97 57.96 3h1c s GLU 236 Cb -0.20 -3.80 -0.05 0.00 2.00 0.00 0.00 34.13 32.08 3h1c s GLU 236 CO 0.59 -0.87 1.31 -1.25 -0.56 0.00 0.00 175.26 174.49 3h1c s PRO 237 N 3.35 3.17 -0.07 4.30 0.04 -1.26 -4.93 135.00 139.60 3h1c s PRO 237 Ca 0.82 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.68 3h1c s PRO 237 Cb -0.43 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 3h1c s PRO 237 CO 0.37 -1.12 1.52 0.54 0.04 0.00 0.00 177.00 178.35 3h1c s VAL 238 N -1.37 3.77 -0.64 -0.36 0.11 -1.26 -4.97 120.40 115.68 3h1c s VAL 238 Ca 0.72 0.97 -0.21 0.00 -2.93 0.00 0.00 61.98 60.53 3h1c s VAL 238 Cb -0.37 -3.62 0.09 0.00 -1.53 0.00 0.00 36.38 30.94 3h1c s VAL 238 CO 0.44 -0.07 0.86 0.21 -3.33 0.00 0.00 175.10 173.20 3h1c s ASN 239 N 2.77 6.19 0.27 3.54 3.84 -1.26 -4.90 114.94 125.39 3h1c s ASN 239 Ca 0.67 -1.21 0.04 0.00 0.21 0.00 0.00 52.86 52.57 3h1c s ASN 239 Cb -0.30 -2.37 0.39 0.00 -0.55 0.00 0.00 41.25 38.42 3h1c s ASN 239 CO 0.25 -1.30 1.68 -0.33 -2.79 0.00 0.00 177.10 174.62 3h1c h GLU 240 N 9.39 0.38 0.00 0.43 4.39 -2.00 -1.16 114.58 126.01 3h1c h GLU 240 Ca -0.28 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3h1c h GLU 240 Cb 1.08 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3h1c h GLU 240 CO 1.15 0.69 0.00 0.00 -1.16 0.00 0.00 179.01 179.69 3h1c n ALA 241 N -2.48 2.25 -0.08 3.43 0.00 -1.26 -3.54 120.51 118.83 3h1c n ALA 241 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3h1c n ALA 241 Cb 0.47 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 3h1c n ALA 241 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3h1c n LEU 242 N -1.94 1.79 -0.12 0.00 7.94 -1.09 -3.97 117.00 119.60 3h1c n LEU 242 Ca 0.06 -0.06 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 3h1c n LEU 242 Cb 0.38 -0.23 0.17 0.00 0.53 0.00 0.00 43.42 44.27 3h1c n LEU 242 CO 0.28 0.61 0.92 0.78 -1.11 0.00 0.00 177.39 178.88 3h1c h ASN 243 N 0.00 0.77 1.75 1.96 2.35 -1.33 -2.14 115.58 118.93 3h1c h ASN 243 Ca -0.38 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.15 3h1c h ASN 243 Cb 1.70 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.86 3h1c h ASN 243 CO -0.03 0.80 -0.25 0.00 -1.65 0.00 0.00 177.43 176.30 3h1c h ALA 244 N 1.29 0.84 -0.12 -0.83 0.00 -1.80 -2.77 119.26 115.87 3h1c h ALA 244 Ca 0.16 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3h1c h ALA 244 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3h1c h ALA 244 CO 0.01 0.31 -0.59 -0.09 0.00 0.00 0.00 179.25 178.89 3h1c h ARG 245 N 0.00 0.40 0.21 0.00 2.43 -1.57 -2.30 114.38 113.55 3h1c h ARG 245 Ca -0.00 -0.27 -0.33 0.00 -0.81 0.00 0.00 59.98 58.56 3h1c h ARG 245 Cb 1.19 0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.80 3h1c h ARG 245 CO 0.03 0.88 -1.56 0.28 -1.51 0.00 0.00 179.97 178.09 3h1c h VAL 246 N 0.30 1.17 -0.45 0.20 2.07 -1.47 -3.36 116.25 114.71 3h1c h VAL 246 Ca -0.00 -2.68 -0.06 0.00 0.82 0.00 0.00 66.70 64.78 3h1c h VAL 246 Cb 1.12 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.78 3h1c h VAL 246 CO 0.10 0.84 0.05 0.00 0.02 0.00 0.00 177.57 178.58 3h1c h ALA 247 N 0.22 1.24 0.00 1.67 0.00 -1.50 0.41 119.26 121.30 3h1c h ALA 247 Ca -0.27 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3h1c h ALA 247 Cb 2.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3h1c h ALA 247 CO 0.23 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.99 3h1c n ALA 248 N -2.47 2.40 0.00 0.00 0.00 -0.87 -2.56 120.51 117.01 3h1c n ALA 248 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3h1c n ALA 248 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3h1c n ALA 248 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3h1c n LEU 249 N -0.19 0.00 -0.03 0.00 7.94 -0.92 -4.98 117.00 118.82 3h1c n LEU 249 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3h1c n LEU 249 Cb 0.13 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.06 3h1c n LEU 249 CO 0.00 0.00 -0.69 0.00 -1.11 0.00 0.00 177.39 175.59 3h1c n ALA 250 N -0.41 2.08 -0.07 1.96 0.00 0.09 -4.75 120.51 119.42 3h1c n ALA 250 Ca 0.00 -0.24 0.15 0.00 0.00 0.00 0.00 53.44 53.35 3h1c n ALA 250 Cb 0.00 0.39 0.56 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.06 0.27 -0.07 0.00 4.81 -1.63 -0.99 114.58 116.91 3h1c h GLU 251 Ca -0.13 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3h1c h GLU 251 Cb 1.17 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3h1c h GLU 251 CO -0.04 0.18 0.00 0.00 -0.73 0.00 0.00 179.01 178.43 3h1c h ALA 252 N 1.71 0.06 0.00 2.92 0.00 -1.86 -2.54 119.26 119.55 3h1c h ALA 252 Ca 0.28 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3h1c h ALA 252 Cb 0.72 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3h1c h ALA 252 CO -0.06 -0.47 -0.89 2.89 0.00 0.00 0.00 179.25 180.72 3h1c n ARG 253 N -5.10 0.14 0.18 0.00 1.85 -1.01 -3.77 116.66 108.95 3h1c n ARG 253 Ca -0.05 -0.01 0.06 0.00 -1.00 0.00 0.00 57.85 56.85 3h1c n ARG 253 Cb 0.05 -1.54 0.27 0.00 -1.05 0.00 0.00 32.46 30.20 3h1c n ARG 253 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3h1c h LEU 254 N 0.00 0.00 -0.70 2.89 3.38 -1.17 -1.86 115.31 117.85 3h1c h LEU 254 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3h1c h LEU 254 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3h1c h LEU 254 CO 0.00 0.36 -0.45 -1.28 0.09 0.00 0.00 178.44 177.15 3h1c h SER 255 N 0.00 0.49 1.18 -0.43 0.87 -1.54 -2.90 113.55 111.21 3h1c h SER 255 Ca -0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3h1c h SER 255 Cb 1.01 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 3h1c h SER 255 CO 0.05 0.88 -0.32 0.47 -0.53 0.00 0.00 176.83 177.38 3h1c n ASP 256 N -4.00 0.78 0.06 6.23 8.00 -1.16 -3.76 116.55 122.69 3h1c n ASP 256 Ca -0.02 0.35 -0.08 0.00 0.71 0.00 0.00 54.79 55.75 3h1c n ASP 256 Cb 0.54 -0.32 0.05 0.00 -0.02 0.00 0.00 41.12 41.36 3h1c n ASP 256 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1c h ALA 257 N 2.50 0.66 -0.71 2.24 0.00 -1.13 -3.10 119.26 119.71 3h1c h ALA 257 Ca 0.00 -0.60 -0.37 0.00 0.00 0.00 0.00 54.91 53.94 3h1c h ALA 257 Cb 0.75 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.25 3h1c h ALA 257 CO 0.00 0.77 0.47 0.66 0.00 0.00 0.00 179.25 181.15 3h1c n TYR 258 N -3.83 2.18 -0.05 0.00 4.01 -1.17 -4.07 117.16 114.24 3h1c n TYR 258 Ca -0.04 -1.49 -0.04 0.00 -0.16 0.00 0.00 57.90 56.17 3h1c n TYR 258 Cb 0.69 -0.76 -0.08 0.00 -0.31 0.00 0.00 39.34 38.88 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 -0.65 2.29 -2.44 -0.72 0.63 -1.17 -4.59 116.66 110.01 3h1c n ARG 259 Ca 0.43 -0.01 -0.33 0.00 -0.92 0.00 0.00 57.85 57.01 3h1c n ARG 259 Cb 1.31 -1.25 -0.03 0.00 0.45 0.00 0.00 32.46 32.94 3h1c n ARG 259 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3h1c s ILE 260 N -2.26 3.94 -0.14 5.15 -4.36 -1.26 -4.79 121.20 117.49 3h1c s ILE 260 Ca -0.05 1.10 -0.29 0.00 -0.26 0.00 0.00 60.65 61.16 3h1c s ILE 260 Cb 0.03 -3.48 -0.26 0.00 1.25 0.00 0.00 42.46 40.00 3h1c s ILE 260 CO 0.40 -0.36 0.78 0.71 0.24 0.00 0.00 174.94 176.71 3h1c h THR 261 N 1.25 1.78 -3.84 8.37 1.35 -1.90 -3.42 112.91 116.51 3h1c h THR 261 Ca -0.48 -2.34 -0.53 0.00 -0.55 0.00 0.00 66.41 62.51 3h1c h THR 261 Cb 1.21 3.38 0.07 0.00 -1.73 0.00 0.00 68.15 71.08 3h1c h THR 261 CO 0.59 0.61 0.67 -0.62 -0.25 0.00 0.00 175.52 176.52 3h1c s ASP 262 N -6.24 6.71 0.03 5.36 2.15 -1.26 -4.69 116.67 118.73 3h1c s ASP 262 Ca -0.19 2.73 -0.20 0.00 0.43 0.00 0.00 52.55 55.33 3h1c s ASP 262 Cb -0.03 -2.65 -0.17 0.00 -0.30 0.00 0.00 42.92 39.77 3h1c s ASP 262 CO 0.69 -0.59 1.26 0.50 -0.17 0.00 0.00 175.17 176.86 3h1c h LYS 263 N 3.49 0.41 -0.29 4.34 3.64 -1.99 -2.22 116.57 123.95 3h1c h LYS 263 Ca -0.49 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 58.54 3h1c h LYS 263 Cb 1.23 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3h1c h LYS 263 CO 0.66 0.90 -0.08 1.96 -2.27 0.00 0.00 179.45 180.62 3h1c h GLN 264 N -0.02 0.47 0.00 1.90 4.20 -1.99 -0.37 115.11 119.31 3h1c h GLN 264 Ca -0.01 -0.12 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 3h1c h GLN 264 Cb 0.92 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 3h1c h GLN 264 CO 0.07 0.56 -0.75 0.93 -0.67 0.00 0.00 178.83 178.97 3h1c h GLU 265 N 0.45 0.00 0.03 1.46 5.08 -1.97 -3.05 114.58 116.58 3h1c h GLU 265 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3h1c h GLU 265 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 3h1c h GLU 265 CO 0.02 0.75 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.41 3h1c h ARG 266 N 0.00 0.14 0.00 2.33 2.43 -0.98 -2.85 114.38 115.44 3h1c h ARG 266 Ca -0.01 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3h1c h ARG 266 Cb 1.42 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 3h1c h ARG 266 CO 0.10 1.01 0.00 1.88 -1.51 0.00 0.00 179.97 181.45 3h1c h TYR 267 N -0.64 0.00 0.00 2.20 0.05 -1.20 0.48 116.97 117.86 3h1c h TYR 267 Ca -0.04 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.58 3h1c h TYR 267 Cb 1.14 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.85 3h1c h TYR 267 CO 0.22 0.00 -1.04 0.00 -1.05 0.00 0.00 178.16 176.29 3h1c h ALA 268 N 2.09 0.63 0.20 3.88 0.00 -1.63 -3.23 119.26 121.21 3h1c h ALA 268 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 54.91 53.88 3h1c h ALA 268 Cb 0.43 0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.35 3h1c h ALA 268 CO 0.00 0.88 -1.35 0.37 0.00 0.00 0.00 179.25 179.15 3h1c h GLN 269 N 0.00 0.43 0.00 0.00 5.75 -1.02 -2.87 115.11 117.41 3h1c h GLN 269 Ca -0.09 -0.74 -0.01 0.00 -0.15 0.00 0.00 58.65 57.66 3h1c h GLN 269 Cb 1.55 0.28 -0.00 0.00 1.07 0.00 0.00 27.48 30.38 3h1c h GLN 269 CO 0.06 1.35 -0.05 -0.39 -2.65 0.00 0.00 178.83 177.16 3h1c h VAL 270 N -0.03 0.12 0.19 2.39 -1.51 -1.12 -2.79 116.25 113.50 3h1c h VAL 270 Ca -0.25 -0.75 -0.33 0.00 -1.23 0.00 0.00 66.70 64.14 3h1c h VAL 270 Cb 1.99 1.67 0.01 0.00 -2.13 0.00 0.00 31.29 32.84 3h1c h VAL 270 CO 0.21 0.05 -1.56 -0.78 -1.23 0.00 0.00 177.57 174.26 3h1c h ASP 271 N 0.00 0.62 0.92 4.19 3.58 -1.65 -3.18 116.42 120.90 3h1c h ASP 271 Ca -0.00 -0.78 -0.08 0.00 0.42 0.00 0.00 57.03 56.59 3h1c h ASP 271 Cb 0.67 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 3h1c h ASP 271 CO 0.01 1.64 -0.36 1.62 -2.88 0.00 0.00 179.24 179.26 3h1c h VAL 272 N 0.11 0.83 -0.08 2.25 3.04 -1.43 0.39 116.25 121.36 3h1c h VAL 272 Ca -0.27 -1.52 -0.08 0.00 -1.01 0.00 0.00 66.70 63.81 3h1c h VAL 272 Cb 2.09 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 33.32 3h1c h VAL 272 CO 0.21 0.36 -0.28 0.40 -1.01 0.00 0.00 177.57 177.24 3h1c h ILE 273 N 0.00 1.42 -0.43 3.17 2.04 -1.63 -2.86 117.51 119.22 3h1c h ILE 273 Ca -0.00 -1.66 -0.05 0.00 1.00 0.00 0.00 64.86 64.14 3h1c h ILE 273 Cb 0.92 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 3h1c h ILE 273 CO 0.05 0.48 0.04 0.11 0.00 0.00 0.00 178.15 178.82 3h1c h LYS 274 N -0.15 0.67 0.00 2.37 1.57 -1.49 0.83 116.57 120.36 3h1c h LYS 274 Ca -0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3h1c h LYS 274 Cb 0.92 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3h1c h LYS 274 CO 0.06 0.66 0.00 0.77 -0.57 0.00 0.00 179.45 180.37 3h1c h SER 275 N 0.64 0.00 0.00 0.86 0.02 -0.97 -2.89 113.55 111.21 3h1c h SER 275 Ca 0.14 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.72 3h1c h SER 275 Cb 0.35 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 3h1c h SER 275 CO 0.01 0.00 -2.37 -0.62 -1.14 0.00 0.00 176.83 172.71 3h1c n GLU 276 N -3.05 0.76 -0.04 3.45 1.02 -0.97 -3.94 120.64 117.87 3h1c n GLU 276 Ca 0.01 0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 3h1c n GLU 276 Cb 0.35 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.18 3h1c n GLU 276 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3h1c h THR 277 N 0.00 1.40 -0.47 2.62 2.02 -0.89 -2.65 112.91 114.94 3h1c h THR 277 Ca -0.54 -1.41 -0.11 0.00 0.77 0.00 0.00 66.41 65.12 3h1c h THR 277 Cb 2.13 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 70.65 3h1c h THR 277 CO 0.00 0.40 -0.14 0.40 0.37 0.00 0.00 175.52 176.55 3h1c h ILE 278 N -0.21 1.27 -0.35 3.11 2.04 -1.75 -2.01 117.51 119.60 3h1c h ILE 278 Ca 0.01 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.56 3h1c h ILE 278 Cb 0.71 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3h1c h ILE 278 CO 0.03 0.44 0.04 0.00 0.00 0.00 0.00 178.15 178.66 3h1c h ALA 279 N 1.04 1.41 -0.02 1.87 0.00 -1.68 0.52 119.26 122.40 3h1c h ALA 279 Ca 0.12 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 3h1c h ALA 279 Cb 0.67 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3h1c h ALA 279 CO 0.05 0.42 -0.97 1.15 0.00 0.00 0.00 179.25 179.90 3h1c h THR 280 N 0.52 1.32 -0.09 0.00 2.02 -1.33 -2.71 112.91 112.64 3h1c h THR 280 Ca 0.12 -2.27 -0.13 0.00 0.77 0.00 0.00 66.41 64.90 3h1c h THR 280 Cb 0.27 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3h1c h THR 280 CO 0.00 0.70 -0.51 -0.07 0.37 0.00 0.00 175.52 176.01 3h1c h LEU 281 N 0.36 0.26 -0.52 2.58 3.38 -1.01 -1.77 115.31 118.59 3h1c h LEU 281 Ca -0.10 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 3h1c h LEU 281 Cb 1.61 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 3h1c h LEU 281 CO 0.18 0.73 -0.69 -0.07 0.09 0.00 0.00 178.44 178.69 3h1c h LEU 282 N 0.19 0.31 -0.83 1.67 3.38 -0.97 -2.50 115.31 116.57 3h1c h LEU 282 Ca 0.01 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 3h1c h LEU 282 Cb 0.97 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3h1c h LEU 282 CO 0.08 0.90 -0.52 0.00 0.09 0.00 0.00 178.44 178.99 3h1c h ALA 283 N 1.09 0.99 -0.04 1.53 0.00 -1.30 -3.22 119.26 118.32 3h1c h ALA 283 Ca -0.02 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3h1c h ALA 283 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h1c h ALA 283 CO 0.11 0.65 -0.20 1.49 0.00 0.00 0.00 179.25 181.30 3h1c h GLU 284 N 0.00 0.20 -2.55 0.00 4.81 -1.27 -3.47 114.58 112.30 3h1c h GLU 284 Ca -0.01 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 58.96 3h1c h GLU 284 Cb 1.02 0.04 -0.23 0.00 0.63 0.00 0.00 28.75 30.21 3h1c h GLU 284 CO 0.07 0.83 -0.13 0.16 -0.73 0.00 0.00 179.01 179.21 3h1c s ASP 285 N -6.20 -0.50 0.00 1.04 -4.77 -0.95 -5.05 116.67 100.24 3h1c s ASP 285 Ca -0.15 0.90 0.22 0.00 -3.30 0.00 0.00 52.55 50.21 3h1c s ASP 285 Cb 0.02 0.92 0.52 0.00 -1.09 0.00 0.00 42.92 43.29 3h1c s ASP 285 CO 0.74 -0.22 1.45 -0.62 0.70 0.00 0.00 175.17 177.22 3h1c n GLU 286 N 2.56 2.41 0.22 2.11 1.02 -1.24 -4.10 120.64 123.63 3h1c n GLU 286 Ca -0.14 -2.16 0.12 0.00 -0.02 0.00 0.00 57.16 54.96 3h1c n GLU 286 Cb 0.57 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.73 3h1c n GLU 286 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3h1c h THR 287 N 3.95 0.06 -4.12 2.62 1.35 -1.93 -3.46 112.91 111.38 3h1c h THR 287 Ca 0.00 -1.00 -0.49 0.00 -0.55 0.00 0.00 66.41 64.37 3h1c h THR 287 Cb 0.88 1.95 0.06 0.00 -1.73 0.00 0.00 68.15 69.31 3h1c h THR 287 CO 0.00 0.03 0.40 -0.76 -0.25 0.00 0.00 175.52 174.95 3h1c s LEU 288 N -6.23 3.68 0.28 3.87 1.43 -1.26 -5.04 118.68 115.41 3h1c s LEU 288 Ca 0.06 2.04 -0.14 0.00 -1.03 0.00 0.00 54.13 55.06 3h1c s LEU 288 Cb 0.06 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.63 3h1c s LEU 288 CO 0.65 -1.17 0.67 -0.62 0.23 0.00 0.00 176.35 176.11 3h1c s ASP 289 N -2.09 6.75 0.05 2.29 2.15 -1.26 -5.02 116.67 119.54 3h1c s ASP 289 Ca 0.69 1.17 -0.19 0.00 0.43 0.00 0.00 52.55 54.65 3h1c s ASP 289 Cb -0.20 -2.33 -0.13 0.00 -0.30 0.00 0.00 42.92 39.96 3h1c s ASP 289 CO 0.29 -0.14 1.38 -0.33 -0.17 0.00 0.00 175.17 176.20 3h1c h GLU 290 N 2.47 0.41 0.00 4.34 4.39 -1.99 -3.22 114.58 120.99 3h1c h GLU 290 Ca -0.48 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 58.91 3h1c h GLU 290 Cb 1.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 3h1c h GLU 290 CO 0.67 0.76 -0.53 -0.91 -1.16 0.00 0.00 179.01 177.83 3h1c h ASN 291 N 0.07 0.00 -0.16 1.42 2.35 -1.98 -3.25 115.58 114.03 3h1c h ASN 291 Ca 0.03 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 3h1c h ASN 291 Cb 0.67 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 3h1c h ASN 291 CO 0.04 0.53 -0.34 -0.08 -1.65 0.00 0.00 177.43 175.93 3h1c h GLU 292 N 0.00 0.66 -0.06 0.81 4.81 -1.98 -2.78 114.58 116.04 3h1c h GLU 292 Ca -0.01 -0.31 -0.14 0.00 -0.13 0.00 0.00 59.36 58.77 3h1c h GLU 292 Cb 1.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3h1c h GLU 292 CO 0.07 0.91 -0.59 -0.07 -0.73 0.00 0.00 179.01 178.60 3h1c h LEU 293 N 0.56 0.23 -0.81 1.64 3.38 -1.61 -3.16 115.31 115.53 3h1c h LEU 293 Ca 0.06 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3h1c h LEU 293 Cb 0.85 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3h1c h LEU 293 CO 0.07 0.76 -0.55 1.23 0.09 0.00 0.00 178.44 180.05 3h1c h GLY 294 N 1.50 0.00 1.68 0.83 0.00 -1.57 -2.79 103.07 102.72 3h1c h GLY 294 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3h1c h GLY 294 CO 0.09 0.00 -0.61 0.83 0.00 0.00 0.00 176.54 176.84 3h1c h GLU 295 N 0.00 0.33 -0.15 4.80 5.08 -1.46 -1.88 114.58 121.30 3h1c h GLU 295 Ca -0.01 -0.23 -0.21 0.00 -1.00 0.00 0.00 59.36 57.91 3h1c h GLU 295 Cb 1.04 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.33 3h1c h GLU 295 CO 0.07 0.84 -0.75 0.82 -1.00 0.00 0.00 179.01 178.99 3h1c h ILE 296 N 0.24 1.30 -0.33 3.13 2.04 -1.55 -2.52 117.51 119.82 3h1c h ILE 296 Ca -0.01 -1.99 -0.07 0.00 1.00 0.00 0.00 64.86 63.80 3h1c h ILE 296 Cb 1.14 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 3h1c h ILE 296 CO 0.10 0.62 -0.10 -0.07 0.00 0.00 0.00 178.15 178.71 3h1c h LEU 297 N 0.50 0.53 -0.78 1.44 3.38 -1.45 -2.20 115.31 116.72 3h1c h LEU 297 Ca -0.04 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 3h1c h LEU 297 Cb 1.36 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3h1c h LEU 297 CO 0.15 0.67 -0.53 -0.74 0.09 0.00 0.00 178.44 178.08 3h1c h HIS 298 N 0.51 0.26 -0.06 1.13 2.76 -1.33 -2.34 115.15 116.08 3h1c h HIS 298 Ca 0.10 -0.09 -0.10 0.00 -2.20 0.00 0.00 60.37 58.08 3h1c h HIS 298 Cb 0.48 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3h1c h HIS 298 CO 0.02 0.69 -0.44 0.00 -1.30 0.00 0.00 177.93 176.90 3h1c h ALA 299 N 1.29 1.16 -0.23 5.26 0.00 -1.05 -1.30 119.26 124.40 3h1c h ALA 299 Ca 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3h1c h ALA 299 Cb 0.99 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3h1c h ALA 299 CO 0.08 0.58 -0.24 0.82 0.00 0.00 0.00 179.25 180.49 3h1c h ILE 300 N 0.11 1.32 -0.61 0.00 2.04 -1.25 -1.96 117.51 117.16 3h1c h ILE 300 Ca 0.01 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 3h1c h ILE 300 Cb 0.82 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 3h1c h ILE 300 CO 0.06 0.44 0.34 -0.33 0.00 0.00 0.00 178.15 178.66 3h1c h GLU 301 N 0.26 0.83 -0.23 2.37 5.08 -1.23 -1.62 114.58 120.04 3h1c h GLU 301 Ca 0.03 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 3h1c h GLU 301 Cb 0.80 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3h1c h GLU 301 CO 0.06 0.60 -0.61 -0.22 -1.00 0.00 0.00 179.01 177.83 3h1c h LYS 302 N 0.84 0.78 -0.15 2.33 3.64 -1.22 -3.27 116.57 119.52 3h1c h LYS 302 Ca 0.22 -0.54 -0.19 0.00 -1.27 0.00 0.00 60.65 58.87 3h1c h LYS 302 Cb 0.00 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3h1c h LYS 302 CO -0.04 1.16 -0.67 -0.97 -2.27 0.00 0.00 179.45 176.66 3h1c h ASN 303 N 0.58 0.70 -0.16 4.20 -1.24 -0.96 -2.85 115.58 115.85 3h1c h ASN 303 Ca -0.01 -0.42 -0.02 0.00 0.71 0.00 0.00 56.30 56.57 3h1c h ASN 303 Cb 1.22 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 3h1c h ASN 303 CO 0.13 1.18 0.03 0.58 -1.29 0.00 0.00 177.43 178.06 3h1c h VAL 304 N 0.43 1.21 -0.14 2.57 2.07 -1.41 -2.27 116.25 118.70 3h1c h VAL 304 Ca -0.02 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3h1c h VAL 304 Cb 1.25 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3h1c h VAL 304 CO 0.13 0.20 -0.08 0.58 0.02 0.00 0.00 177.57 178.41 3h1c h VAL 305 N 0.05 1.32 -0.16 2.57 2.07 -1.65 -3.16 116.25 117.30 3h1c h VAL 305 Ca 0.05 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 3h1c h VAL 305 Cb 0.27 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3h1c h VAL 305 CO 0.00 0.33 -0.33 0.03 0.02 0.00 0.00 177.57 177.63 3h1c h ARG 306 N -0.03 0.32 -0.08 1.57 3.08 -1.56 -2.79 114.38 114.89 3h1c h ARG 306 Ca 0.03 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.81 3h1c h ARG 306 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3h1c h ARG 306 CO 0.02 0.62 -0.57 0.77 -1.07 0.00 0.00 179.97 179.74 3h1c h SER 307 N 0.28 0.27 0.05 7.04 0.02 -1.47 -2.37 113.55 117.37 3h1c h SER 307 Ca 0.04 -0.15 -0.25 0.00 -0.84 0.00 0.00 61.79 60.59 3h1c h SER 307 Cb 0.72 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 63.20 3h1c h SER 307 CO 0.05 0.78 -0.98 0.03 -1.14 0.00 0.00 176.83 175.57 3h1c h ARG 308 N 0.18 0.66 -0.32 3.45 3.08 -1.49 -2.87 114.38 117.08 3h1c h ARG 308 Ca -0.00 -0.68 -0.17 0.00 0.07 0.00 0.00 59.98 59.20 3h1c h ARG 308 Cb 1.06 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3h1c h ARG 308 CO 0.09 1.27 -0.46 0.28 -1.07 0.00 0.00 179.97 180.08 3h1c h VAL 309 N 0.38 1.28 -0.23 2.04 2.07 -1.52 0.31 116.25 120.59 3h1c h VAL 309 Ca -0.11 -1.64 -0.11 0.00 0.82 0.00 0.00 66.70 65.66 3h1c h VAL 309 Cb 1.63 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3h1c h VAL 309 CO 0.19 0.54 -0.35 0.25 0.02 0.00 0.00 177.57 178.22 3h1c h LEU 310 N 0.65 0.50 -0.18 2.57 7.12 -1.51 -3.20 115.31 121.27 3h1c h LEU 310 Ca 0.03 -0.20 -0.22 0.00 0.13 0.00 0.00 57.88 57.62 3h1c h LEU 310 Cb 1.06 -0.14 0.01 0.00 -0.53 0.00 0.00 40.66 41.06 3h1c h LEU 310 CO 0.11 0.81 -0.80 0.00 -0.13 0.00 0.00 178.44 178.43 3h1c h ALA 311 N 1.22 0.33 0.00 1.25 0.00 -1.52 -3.48 119.26 117.05 3h1c h ALA 311 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3h1c h ALA 311 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3h1c h ALA 311 CO 0.07 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.42 3h1c n GLY 312 N 0.72 1.79 3.88 0.00 0.00 -1.05 -5.12 105.19 105.41 3h1c n GLY 312 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3h1c n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1c s GLU 313 N 0.00 3.75 0.55 1.61 2.02 0.07 -5.04 118.70 121.66 3h1c s GLU 313 Ca 0.00 0.28 -0.20 0.00 0.02 0.00 0.00 54.97 55.07 3h1c s GLU 313 Cb 0.00 -2.54 -0.06 0.00 0.10 0.00 0.00 34.13 31.63 3h1c s GLU 313 CO 0.00 0.14 1.08 -0.35 0.02 0.00 0.00 175.26 176.14 3h1c n PRO 314 N -0.86 1.19 -1.02 0.39 -0.04 -1.26 -4.45 135.00 128.96 3h1c n PRO 314 Ca 0.01 0.45 -0.25 0.00 -0.04 0.00 0.00 63.50 63.66 3h1c n PRO 314 Cb 0.54 -2.25 0.20 0.00 -0.04 0.00 0.00 33.50 31.95 3h1c n PRO 314 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h1c n ARG 315 N -0.79 -2.44 -0.11 0.54 1.74 -0.66 -4.84 116.66 110.10 3h1c n ARG 315 Ca 0.12 -1.51 -0.05 0.00 -0.77 0.00 0.00 57.85 55.64 3h1c n ARG 315 Cb 0.45 -1.32 0.02 0.00 -1.02 0.00 0.00 32.46 30.60 3h1c n ARG 315 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3h1c h ILE 316 N -2.35 0.85 -0.45 0.55 2.04 -1.89 -1.83 117.51 114.43 3h1c h ILE 316 Ca -0.35 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3h1c h ILE 316 Cb 1.03 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3h1c h ILE 316 CO 0.23 0.05 0.00 -0.90 0.00 0.00 0.00 178.15 177.53 3h1c n ASP 317 N -5.05 3.02 -1.19 1.72 5.75 -1.26 -4.19 116.55 115.35 3h1c n ASP 317 Ca 0.02 -2.19 -0.04 0.00 -0.01 0.00 0.00 54.79 52.58 3h1c n ASP 317 Cb 0.15 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 39.85 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 1.00 0.55 3.66 6.12 0.00 -0.69 -4.87 105.19 110.96 3h1c n GLY 318 Ca 0.17 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.88 2.34 0.71 1.61 0.52 -1.26 -4.82 118.95 113.16 3h1c s ARG 319 Ca 0.07 -1.41 -0.07 0.00 -0.52 0.00 0.00 55.73 53.80 3h1c s ARG 319 Cb -0.03 -2.18 0.06 0.00 0.52 0.00 0.00 34.95 33.32 3h1c s ARG 319 CO 0.13 0.35 1.02 -1.21 0.02 0.00 0.00 175.30 175.61 3h1c s GLU 320 N -3.70 2.16 0.59 3.54 0.41 -1.26 -1.65 118.70 118.79 3h1c s GLU 320 Ca 0.32 -0.26 0.35 0.00 -0.41 0.00 0.00 54.97 54.96 3h1c s GLU 320 Cb -0.06 -2.16 1.84 0.00 -1.78 0.00 0.00 34.13 31.96 3h1c s GLU 320 CO 0.20 -1.27 2.19 1.57 -0.49 0.00 0.00 175.26 177.47 3h1c h LYS 321 N -0.62 0.00 -0.00 1.61 2.10 -1.94 -2.78 116.57 114.94 3h1c h LYS 321 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3h1c h LYS 321 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3h1c h LYS 321 CO 0.60 0.04 -0.06 -0.40 -2.00 0.00 0.00 179.45 177.62 3h1c n ASP 322 N -3.39 0.76 -4.73 7.07 5.75 -1.26 -2.36 116.55 118.38 3h1c n ASP 322 Ca -0.02 -0.88 -0.41 0.00 -0.01 0.00 0.00 54.79 53.47 3h1c n ASP 322 Cb 0.17 0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.68 3h1c n ASP 322 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3h1c s MET 323 N -0.73 4.45 0.02 0.11 1.75 -1.05 -4.71 119.30 119.13 3h1c s MET 323 Ca 0.03 1.90 0.00 0.00 -1.25 0.00 0.00 55.69 56.36 3h1c s MET 323 Cb 0.03 -3.26 -0.04 0.00 2.84 0.00 0.00 34.83 34.40 3h1c s MET 323 CO 0.08 -0.19 0.10 -1.50 -0.65 0.00 0.00 175.02 172.86 3h1c s ILE 324 N 0.36 4.79 1.04 10.11 2.07 -1.26 -4.71 121.20 133.60 3h1c s ILE 324 Ca 0.56 -0.47 -0.12 0.00 -1.41 0.00 0.00 60.65 59.21 3h1c s ILE 324 Cb -0.33 -3.23 0.22 0.00 0.13 0.00 0.00 42.46 39.25 3h1c s ILE 324 CO 0.34 0.28 1.07 -0.13 -1.91 0.00 0.00 174.94 174.60 3h1c s ARG 325 N -1.96 0.03 0.45 3.50 0.52 -1.26 -4.98 118.95 115.26 3h1c s ARG 325 Ca 0.26 1.03 -0.24 0.00 -0.52 0.00 0.00 55.73 56.25 3h1c s ARG 325 Cb -0.12 -1.65 -0.07 0.00 0.52 0.00 0.00 34.95 33.62 3h1c s ARG 325 CO 0.17 -3.14 1.27 0.20 0.02 0.00 0.00 175.30 173.82 3h1c s GLY 326 N -2.74 2.87 0.07 -3.53 0.00 -1.26 -4.67 107.32 98.06 3h1c s GLY 326 Ca 0.67 1.17 0.06 0.00 0.00 0.00 0.00 44.72 46.62 3h1c s GLY 326 CO 0.61 1.70 -0.11 1.08 0.00 0.00 0.00 173.10 176.38 3h1c s LEU 327 N -2.85 3.00 -0.16 0.66 1.43 -1.26 -0.17 118.68 119.32 3h1c s LEU 327 Ca 0.62 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 3h1c s LEU 327 Cb -0.36 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.14 3h1c s LEU 327 CO 0.44 0.21 0.07 -0.62 0.23 0.00 0.00 176.35 176.69 3h1c s ASP 328 N -1.92 2.37 -0.25 2.29 2.15 0.42 -5.00 116.67 116.73 3h1c s ASP 328 Ca 0.19 -0.60 -0.07 0.00 0.43 0.00 0.00 52.55 52.51 3h1c s ASP 328 Cb -0.11 -0.32 -0.02 0.00 -0.30 0.00 0.00 42.92 42.17 3h1c s ASP 328 CO 0.11 -0.33 0.06 -0.69 -0.17 0.00 0.00 175.17 174.15 3h1c s VAL 329 N 2.07 4.20 -0.01 1.11 1.01 -1.26 -0.40 120.40 127.11 3h1c s VAL 329 Ca 0.02 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3h1c s VAL 329 Cb -0.16 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 3h1c s VAL 329 CO -0.08 0.33 -0.07 -0.13 0.00 0.00 0.00 175.10 175.15 3h1c s ARG 330 N 1.59 0.61 0.05 2.72 0.52 -0.67 -4.99 118.95 118.79 3h1c s ARG 330 Ca 0.06 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 3h1c s ARG 330 Cb -0.15 -0.59 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 3h1c s ARG 330 CO 0.03 0.13 -0.04 -0.08 0.02 0.00 0.00 175.30 175.35 3h1c s THR 331 N -0.06 0.35 -0.63 0.02 -1.32 -1.26 0.31 115.64 113.06 3h1c s THR 331 Ca 0.01 -1.55 -0.03 0.00 -1.21 0.00 0.00 61.69 58.91 3h1c s THR 331 Cb -0.04 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 3h1c s THR 331 CO -0.00 -0.78 0.35 0.61 -2.21 0.00 0.00 174.62 172.59 3h1c n GLY 332 N 0.57 0.23 0.21 6.08 0.00 -0.97 -4.95 105.19 106.36 3h1c n GLY 332 Ca -0.17 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.60 3h1c n GLY 332 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3h1c h VAL 333 N -0.80 0.37 -4.23 1.61 3.04 -1.89 -3.45 116.25 110.90 3h1c h VAL 333 Ca -0.23 -1.25 -0.69 0.00 -1.01 0.00 0.00 66.70 63.52 3h1c h VAL 333 Cb 1.16 1.95 -0.25 0.00 -2.01 0.00 0.00 31.29 32.14 3h1c h VAL 333 CO 0.24 0.18 -0.86 -0.76 -1.01 0.00 0.00 177.57 175.36 3h1c s LEU 334 N -6.43 2.28 -0.13 3.16 1.43 -1.26 -5.08 118.68 112.65 3h1c s LEU 334 Ca 0.03 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 3h1c s LEU 334 Cb 0.08 -1.35 -0.12 0.00 0.03 0.00 0.00 46.19 44.83 3h1c s LEU 334 CO 0.66 0.26 0.29 1.55 0.23 0.00 0.00 176.35 179.34 3h1c h PRO 335 N 4.77 0.00 -1.95 1.29 0.14 -2.00 -3.41 132.00 130.84 3h1c h PRO 335 Ca -0.47 0.00 -0.76 0.00 0.14 0.00 0.00 66.00 64.91 3h1c h PRO 335 Cb 1.14 0.00 -0.28 0.00 0.14 0.00 0.00 31.00 32.01 3h1c h PRO 335 CO 0.45 0.48 1.00 0.54 0.14 0.00 0.00 178.00 180.61 3h1c n ARG 336 N -4.66 2.77 -3.94 0.86 5.12 -1.26 -4.91 116.66 110.64 3h1c n ARG 336 Ca -0.08 -3.55 -0.08 0.00 -1.93 0.00 0.00 57.85 52.21 3h1c n ARG 336 Cb 0.28 -2.27 -0.08 0.00 -1.16 0.00 0.00 32.46 29.23 3h1c n ARG 336 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3h1c s THR 337 N -5.09 0.17 0.01 0.55 -1.32 -1.26 -5.09 115.64 103.60 3h1c s THR 337 Ca 0.52 -1.41 -0.25 0.00 -1.21 0.00 0.00 61.69 59.34 3h1c s THR 337 Cb 0.44 -1.42 -0.15 0.00 -1.51 0.00 0.00 72.50 69.85 3h1c s THR 337 CO -0.40 -0.76 1.15 0.45 -2.21 0.00 0.00 174.62 172.85 3h1c h HIS 338 N 2.89 -0.54 -4.02 9.09 3.86 -1.91 -3.45 115.15 121.06 3h1c h HIS 338 Ca -0.34 -0.01 -0.69 0.00 -1.16 0.00 0.00 60.37 58.17 3h1c h HIS 338 Cb 1.18 0.18 -0.26 0.00 1.06 0.00 0.00 27.41 29.57 3h1c h HIS 338 CO 0.46 -0.22 -0.80 0.20 0.86 0.00 0.00 177.93 178.43 3h1c s GLY 339 N -2.66 1.47 -0.02 2.45 0.00 0.74 -3.46 107.32 105.84 3h1c s GLY 339 Ca -0.14 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 3h1c s GLY 339 CO 0.49 -0.71 0.04 -0.56 0.00 0.00 0.00 173.10 172.36 3h1c s SER 340 N -0.52 0.03 -0.12 1.64 0.01 -1.26 -2.78 113.70 110.70 3h1c s SER 340 Ca 0.07 0.07 -0.13 0.00 1.31 0.00 0.00 55.95 57.26 3h1c s SER 340 Cb -0.12 -0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.14 3h1c s SER 340 CO 0.01 -0.10 0.36 0.00 0.41 0.00 0.00 173.24 173.93 3h1c s ALA 341 N 0.78 -0.90 -0.41 1.44 0.00 -0.50 -2.29 121.76 119.89 3h1c s ALA 341 Ca -0.06 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.85 3h1c s ALA 341 Cb -0.09 -0.50 0.15 0.00 0.00 0.00 0.00 23.12 22.68 3h1c s ALA 341 CO -0.02 -0.19 0.26 -1.17 0.00 0.00 0.00 175.76 174.63 3h1c s LEU 342 N -0.04 1.80 -0.16 0.00 2.96 0.15 -2.20 118.68 121.19 3h1c s LEU 342 Ca -0.02 -2.57 -0.12 0.00 -0.22 0.00 0.00 54.13 51.20 3h1c s LEU 342 Cb -0.03 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.94 3h1c s LEU 342 CO 0.01 -0.26 0.24 0.12 -1.32 0.00 0.00 176.35 175.14 3h1c s PHE 343 N 0.53 3.47 -0.06 5.38 5.36 -1.23 -1.67 117.98 129.77 3h1c s PHE 343 Ca 0.21 0.53 0.03 0.00 -0.96 0.00 0.00 56.93 56.73 3h1c s PHE 343 Cb -0.18 -2.25 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 3h1c s PHE 343 CO -0.04 0.31 -0.12 0.99 -1.46 0.00 0.00 175.22 174.90 3h1c s THR 344 N 0.25 1.13 -0.28 0.12 2.01 0.46 -1.98 115.64 117.35 3h1c s THR 344 Ca 0.14 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.65 3h1c s THR 344 Cb -0.12 -1.02 0.08 0.00 0.01 0.00 0.00 72.50 71.45 3h1c s THR 344 CO 0.03 0.35 0.02 -0.60 -0.69 0.00 0.00 174.62 173.72 3h1c s ARG 345 N 0.51 1.26 4.28 4.92 3.52 0.12 -0.43 118.95 133.12 3h1c s ARG 345 Ca -0.11 -1.16 0.00 0.00 -0.13 0.00 0.00 55.73 54.33 3h1c s ARG 345 Cb -0.14 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.74 3h1c s ARG 345 CO 0.03 -0.78 0.00 0.41 -0.81 0.00 0.00 175.30 174.15 3h1c n GLY 346 N 4.66 1.36 1.10 8.12 0.00 0.75 -1.85 105.19 119.33 3h1c n GLY 346 Ca -0.06 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.18 3h1c n GLY 346 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h1c n GLU 347 N 0.00 1.31 -4.68 1.61 0.28 -1.26 -4.91 120.64 112.98 3h1c n GLU 347 Ca 0.00 -3.01 -0.28 0.00 -0.16 0.00 0.00 57.16 53.71 3h1c n GLU 347 Cb 0.00 -1.20 -0.17 0.00 1.43 0.00 0.00 31.44 31.50 3h1c n GLU 347 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3h1c s THR 348 N -2.43 1.49 0.02 3.84 -4.23 -0.77 -4.13 115.64 109.42 3h1c s THR 348 Ca 0.37 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 3h1c s THR 348 Cb 0.38 -1.34 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 3h1c s THR 348 CO -0.09 0.43 0.02 0.00 -0.54 0.00 0.00 174.62 174.44 3h1c s GLN 349 N 0.71 0.36 -0.14 3.99 -2.07 -0.86 0.13 119.66 121.78 3h1c s GLN 349 Ca -0.13 -0.56 -0.01 0.00 -1.82 0.00 0.00 55.36 52.85 3h1c s GLN 349 Cb -0.16 0.14 0.04 0.00 -1.09 0.00 0.00 33.01 31.93 3h1c s GLN 349 CO 0.03 -0.07 -0.05 0.00 -1.32 0.00 0.00 175.29 173.88 3h1c s ALA 350 N -1.46 1.32 -0.87 2.60 0.00 -0.84 -2.86 121.76 119.65 3h1c s ALA 350 Ca -0.15 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 50.89 3h1c s ALA 350 Cb -0.09 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.03 3h1c s ALA 350 CO -0.00 -0.68 1.44 -1.17 0.00 0.00 0.00 175.76 175.34 3h1c s LEU 351 N 1.71 3.32 -0.19 0.00 2.96 0.18 -3.49 118.68 123.17 3h1c s LEU 351 Ca 0.02 -0.88 -0.08 0.00 -0.22 0.00 0.00 54.13 52.97 3h1c s LEU 351 Cb -0.14 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 3h1c s LEU 351 CO -0.08 -1.78 0.08 -0.69 -1.32 0.00 0.00 176.35 172.56 3h1c s VAL 352 N 5.87 4.87 0.03 1.68 1.01 -0.94 -0.49 120.40 132.43 3h1c s VAL 352 Ca 0.44 -0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.50 3h1c s VAL 352 Cb -0.04 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 3h1c s VAL 352 CO 0.03 0.44 -0.23 0.42 0.00 0.00 0.00 175.10 175.76 3h1c s THR 353 N 0.50 1.82 -0.12 3.92 -4.23 0.14 -1.41 115.64 116.27 3h1c s THR 353 Ca 0.04 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 3h1c s THR 353 Cb -0.12 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 72.14 3h1c s THR 353 CO 0.01 0.34 -0.14 0.00 -0.54 0.00 0.00 174.62 174.28 3h1c s ALA 354 N -0.72 2.59 -0.09 3.99 0.00 -1.12 -1.18 121.76 125.24 3h1c s ALA 354 Ca 0.09 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3h1c s ALA 354 Cb -0.09 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3h1c s ALA 354 CO 0.01 0.28 -0.20 0.99 0.00 0.00 0.00 175.76 176.84 3h1c s THR 355 N 0.24 1.75 0.06 0.00 2.01 0.94 -0.19 115.64 120.45 3h1c s THR 355 Ca -0.09 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 60.97 3h1c s THR 355 Cb -0.16 -1.53 -0.06 0.00 0.01 0.00 0.00 72.50 70.77 3h1c s THR 355 CO 0.05 0.49 0.38 -0.76 -0.69 0.00 0.00 174.62 174.09 3h1c s LEU 356 N 0.41 4.36 0.00 4.42 1.43 -1.26 -0.60 118.68 127.44 3h1c s LEU 356 Ca -0.17 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 3h1c s LEU 356 Cb -0.17 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.17 3h1c s LEU 356 CO 0.07 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3h1c n GLY 357 N 1.04 3.19 3.71 -3.19 0.00 0.31 -4.98 105.19 105.27 3h1c n GLY 357 Ca -0.09 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.42 2.00 0.46 2.61 -4.23 -1.26 -2.43 115.64 110.37 3h1c s THR 358 Ca 0.00 -1.83 0.38 0.00 -1.18 0.00 0.00 61.69 59.07 3h1c s THR 358 Cb 0.00 -2.83 0.38 0.00 1.34 0.00 0.00 72.50 71.39 3h1c s THR 358 CO 0.00 0.00 2.18 0.00 -0.54 0.00 0.00 174.62 176.26 3h1c h ALA 359 N 1.49 1.02 0.00 3.99 0.00 -1.95 -1.17 119.26 122.64 3h1c h ALA 359 Ca -0.43 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 3h1c h ALA 359 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3h1c h ALA 359 CO 0.74 -0.02 -0.52 -0.09 0.00 0.00 0.00 179.25 179.36 3h1c h ARG 360 N 0.00 0.00 -0.18 0.00 2.43 -2.00 -3.18 114.38 111.46 3h1c h ARG 360 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h1c h ARG 360 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3h1c h ARG 360 CO 0.00 0.52 0.00 -0.25 -1.51 0.00 0.00 179.97 178.73 3h1c n ASP 361 N -3.74 1.60 -4.76 -3.80 8.00 -0.44 -4.93 116.55 108.47 3h1c n ASP 361 Ca -0.01 -1.73 -0.40 0.00 0.71 0.00 0.00 54.79 53.37 3h1c n ASP 361 Cb 0.56 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.77 3.35 -0.11 2.24 0.00 -1.20 -4.99 121.76 119.27 3h1c s ALA 362 Ca 0.31 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 3h1c s ALA 362 Cb 0.16 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3h1c s ALA 362 CO 0.25 -0.34 1.10 -1.14 0.00 0.00 0.00 175.76 175.63 3h1c s GLN 363 N -1.77 4.36 -0.59 0.00 0.74 -1.13 -4.93 119.66 116.34 3h1c s GLN 363 Ca 0.49 1.50 -0.20 0.00 0.05 0.00 0.00 55.36 57.21 3h1c s GLN 363 Cb -0.33 -3.58 0.09 0.00 1.10 0.00 0.00 33.01 30.29 3h1c s GLN 363 CO 0.42 -0.44 0.73 0.08 -0.55 0.00 0.00 175.29 175.53 3h1c s VAL 364 N 2.40 4.74 -0.35 1.34 1.01 -1.26 -1.64 120.40 126.65 3h1c s VAL 364 Ca 0.51 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 3h1c s VAL 364 Cb -0.20 -4.49 0.01 0.00 0.00 0.00 0.00 36.38 31.70 3h1c s VAL 364 CO 0.17 -1.12 0.93 -0.76 0.00 0.00 0.00 175.10 174.33 3h1c s LEU 365 N 2.91 4.00 -1.38 3.92 1.43 -1.21 -4.95 118.68 123.39 3h1c s LEU 365 Ca 0.14 0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 53.84 3h1c s LEU 365 Cb -0.22 -3.29 0.09 0.00 0.03 0.00 0.00 46.19 42.80 3h1c s LEU 365 CO 0.08 -0.82 2.20 -0.67 0.23 0.00 0.00 176.35 177.37 3h1c n ASP 366 N 6.69 5.76 -4.80 2.29 2.03 -1.26 -4.37 116.55 122.89 3h1c n ASP 366 Ca 0.08 -2.98 -0.33 0.00 0.52 0.00 0.00 54.79 52.08 3h1c n ASP 366 Cb 0.48 -1.52 -0.01 0.00 -0.72 0.00 0.00 41.12 39.35 3h1c n ASP 366 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3h1c s GLU 367 N 1.07 3.57 0.04 -0.67 2.02 -1.26 -4.99 118.70 118.49 3h1c s GLU 367 Ca 0.48 1.24 -0.11 0.00 0.02 0.00 0.00 54.97 56.60 3h1c s GLU 367 Cb 0.13 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 3h1c s GLU 367 CO -0.05 -0.61 1.18 1.25 0.02 0.00 0.00 175.26 177.05 3h1c h LEU 368 N 0.93 -0.60 -7.68 1.80 5.85 -1.99 -3.30 115.31 110.32 3h1c h LEU 368 Ca -0.48 0.08 -0.74 0.00 0.84 0.00 0.00 57.88 57.58 3h1c h LEU 368 Cb 1.22 0.24 -0.31 0.00 0.37 0.00 0.00 40.66 42.18 3h1c h LEU 368 CO 0.58 -0.14 -0.15 -0.04 -0.34 0.00 0.00 178.44 178.35 3h1c s MET 369 N -3.86 3.05 0.00 1.25 1.00 -1.26 -4.94 119.30 114.53 3h1c s MET 369 Ca -0.05 -2.51 0.00 0.00 0.00 0.00 0.00 55.69 53.13 3h1c s MET 369 Cb 0.03 -4.05 0.00 0.00 0.00 0.00 0.00 34.83 30.81 3h1c s MET 369 CO 0.20 -1.23 0.00 0.41 0.00 0.00 0.00 175.02 174.40 3h1c n GLY 370 N 3.69 3.99 0.32 -0.03 0.00 -1.24 -5.01 105.19 106.91 3h1c n GLY 370 Ca 0.11 -1.23 0.04 0.00 0.00 0.00 0.00 46.02 44.94 3h1c n GLY 370 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h1c n GLU 371 N -1.62 0.51 -1.76 1.61 4.71 -1.26 -4.08 120.64 118.75 3h1c n GLU 371 Ca 0.00 -1.55 -0.39 0.00 -0.01 0.00 0.00 57.16 55.21 3h1c n GLU 371 Cb 0.00 -0.86 0.04 0.00 -1.01 0.00 0.00 31.44 29.61 3h1c n GLU 371 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 3h1c s ARG 372 N -1.04 3.19 -0.19 3.49 1.70 -1.26 -4.87 118.95 119.98 3h1c s ARG 372 Ca 0.11 2.29 -0.02 0.00 -0.47 0.00 0.00 55.73 57.64 3h1c s ARG 372 Cb 0.10 -2.31 -0.01 0.00 -0.57 0.00 0.00 34.95 32.16 3h1c s ARG 372 CO 0.01 -1.17 -0.08 0.99 -1.08 0.00 0.00 175.30 173.97 3h1c s THR 373 N -1.27 3.21 -0.04 4.99 2.01 -1.26 -3.34 115.64 119.93 3h1c s THR 373 Ca 0.70 -0.57 -0.24 0.00 0.31 0.00 0.00 61.69 61.90 3h1c s THR 373 Cb -0.42 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3h1c s THR 373 CO 0.50 0.47 0.72 -0.62 -0.69 0.00 0.00 174.62 175.00 3h1c s ASP 374 N 1.06 7.04 -0.06 3.53 -1.08 -0.65 -4.96 116.67 121.56 3h1c s ASP 374 Ca 0.00 1.26 0.18 0.00 -0.52 0.00 0.00 52.55 53.47 3h1c s ASP 374 Cb -0.15 -2.43 -0.23 0.00 -1.46 0.00 0.00 42.92 38.66 3h1c s ASP 374 CO -0.01 -0.09 0.46 1.07 0.52 0.00 0.00 175.17 177.12 3h1c n THR 375 N 3.57 1.02 -4.27 1.71 5.66 -1.26 -2.85 114.28 117.85 3h1c n THR 375 Ca -0.01 -0.72 -0.34 0.00 -3.05 0.00 0.00 64.05 59.93 3h1c n THR 375 Cb 0.51 -0.49 -0.11 0.00 -1.55 0.00 0.00 70.33 68.70 3h1c n THR 375 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3h1c s PHE 376 N -2.88 3.11 -0.04 1.09 5.36 -1.26 -2.59 117.98 120.77 3h1c s PHE 376 Ca -0.07 -0.14 0.06 0.00 -0.96 0.00 0.00 56.93 55.83 3h1c s PHE 376 Cb 0.09 -1.98 -0.01 0.00 -0.34 0.00 0.00 43.02 40.77 3h1c s PHE 376 CO 0.84 0.07 -0.23 -0.51 -1.46 0.00 0.00 175.22 173.93 3h1c s LEU 377 N 0.26 2.03 -0.07 6.12 1.43 -0.57 -5.02 118.68 122.86 3h1c s LEU 377 Ca -0.01 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3h1c s LEU 377 Cb -0.13 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.88 3h1c s LEU 377 CO 0.02 0.25 -0.04 0.12 0.23 0.00 0.00 176.35 176.93 3h1c s PHE 378 N -0.32 0.92 -0.12 0.29 5.36 -1.26 -0.32 117.98 122.54 3h1c s PHE 378 Ca 0.03 -0.32 0.02 0.00 -0.96 0.00 0.00 56.93 55.69 3h1c s PHE 378 Cb -0.11 -0.86 0.01 0.00 -0.34 0.00 0.00 43.02 41.73 3h1c s PHE 378 CO 0.01 -0.31 -0.17 -1.01 -1.46 0.00 0.00 175.22 172.29 3h1c s HIS 379 N 1.42 2.16 -0.17 10.12 3.76 0.01 -4.75 115.29 127.83 3h1c s HIS 379 Ca -0.03 -1.06 -0.04 0.00 -0.15 0.00 0.00 55.06 53.78 3h1c s HIS 379 Cb -0.13 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 3h1c s HIS 379 CO -0.03 -0.53 -0.02 -0.47 -0.85 0.00 0.00 174.74 172.84 3h1c s TYR 380 N 1.00 3.05 -0.11 1.40 5.04 -1.26 -0.94 117.35 125.52 3h1c s TYR 380 Ca -0.05 -0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.28 3h1c s TYR 380 Cb -0.15 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.16 3h1c s TYR 380 CO -0.03 -0.09 -0.19 -0.80 -1.34 0.00 0.00 175.55 173.11 3h1c s ASN 381 N 0.58 2.73 -0.60 4.32 0.01 -0.95 -4.72 114.94 116.31 3h1c s ASN 381 Ca -0.02 -0.50 0.04 0.00 -0.71 0.00 0.00 52.86 51.67 3h1c s ASN 381 Cb -0.14 -1.24 0.15 0.00 0.41 0.00 0.00 41.25 40.42 3h1c s ASN 381 CO 0.02 0.06 0.37 0.12 -1.51 0.00 0.00 177.10 176.16 3h1c s PHE 382 N 0.79 3.35 0.67 2.20 5.36 -1.26 -2.83 117.98 126.27 3h1c s PHE 382 Ca -0.09 -3.22 -0.11 0.00 -0.96 0.00 0.00 56.93 52.54 3h1c s PHE 382 Cb -0.16 -2.80 -0.01 0.00 -0.34 0.00 0.00 43.02 39.71 3h1c s PHE 382 CO 0.01 -0.67 1.05 -2.14 -1.46 0.00 0.00 175.22 172.01 3h1c s PRO 383 N -0.75 3.12 0.50 10.12 0.02 -1.26 -4.98 135.00 141.77 3h1c s PRO 383 Ca 0.20 0.84 0.22 0.00 0.02 0.00 0.00 61.00 62.29 3h1c s PRO 383 Cb -0.17 -2.02 1.29 0.00 0.02 0.00 0.00 34.50 33.62 3h1c s PRO 383 CO -0.07 -0.94 2.05 -1.00 -0.33 0.00 0.00 177.00 176.72 3h1c h PRO 384 N -0.59 0.00 0.00 5.54 0.13 -1.94 -2.94 132.00 132.19 3h1c h PRO 384 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3h1c h PRO 384 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3h1c h PRO 384 CO 0.59 0.14 0.00 2.48 -0.23 0.00 0.00 178.00 180.98 3h1c n TYR 385 N -3.92 0.00 -0.08 1.56 4.11 -1.25 -1.67 117.16 115.92 3h1c n TYR 385 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.74 3h1c n TYR 385 Cb 0.23 -0.40 -0.05 0.00 -0.00 0.00 0.00 39.34 39.12 3h1c n TYR 385 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 3h1c h SER 386 N 0.00 0.68 0.60 9.48 4.64 -1.62 -3.20 113.55 124.13 3h1c h SER 386 Ca 0.00 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3h1c h SER 386 Cb 0.29 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3h1c h SER 386 CO 0.00 1.04 -0.53 1.33 -0.87 0.00 0.00 176.83 177.80 3h1c n VAL 387 N -4.30 0.09 -1.66 0.95 0.24 -1.20 -2.11 118.33 110.34 3h1c n VAL 387 Ca -0.05 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3h1c n VAL 387 Cb 0.47 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 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 1.46 0.95 3.50 7.63 0.00 -1.15 -5.02 105.19 112.55 3h1c n GLY 388 Ca 0.05 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.38 1.87 -0.10 1.61 2.02 -0.67 -5.02 118.70 115.03 3h1c s GLU 389 Ca 0.00 -2.12 0.02 0.00 0.02 0.00 0.00 54.97 52.88 3h1c s GLU 389 Cb 0.00 -0.64 -0.02 0.00 0.10 0.00 0.00 34.13 33.57 3h1c s GLU 389 CO 0.00 -0.43 -0.15 0.95 0.02 0.00 0.00 175.26 175.66 3h1c s THR 390 N -3.24 2.96 0.00 3.63 -4.23 -1.26 -3.84 115.64 109.65 3h1c s THR 390 Ca 0.26 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 3h1c s THR 390 Cb 0.04 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.68 3h1c s THR 390 CO 0.15 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 3h1c n GLY 391 N 3.08 3.85 3.43 3.99 0.00 -1.26 -5.05 105.19 113.23 3h1c n GLY 391 Ca -0.18 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 3h1c n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h1c s MET 392 N 0.00 3.04 -0.14 1.61 -1.94 -1.26 -5.00 119.30 115.62 3h1c s MET 392 Ca 0.00 -0.67 -0.01 0.00 -1.71 0.00 0.00 55.69 53.30 3h1c s MET 392 Cb 0.00 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.27 3h1c s MET 392 CO 0.00 0.39 -0.11 0.54 -0.01 0.00 0.00 175.02 175.83 3h1c s VAL 393 N -0.11 3.25 0.00 -6.03 0.11 -1.26 -4.97 120.40 111.39 3h1c s VAL 393 Ca -0.01 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 3h1c s VAL 393 Cb -0.14 -2.38 0.00 0.00 -1.53 0.00 0.00 36.38 32.33 3h1c s VAL 393 CO 0.03 0.51 0.00 0.61 -3.33 0.00 0.00 175.10 172.93 3h1c n GLY 394 N 3.57 -1.11 3.80 6.54 0.00 -1.26 -5.14 105.19 111.59 3h1c n GLY 394 Ca -0.18 0.63 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 3h1c n GLY 394 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1c s SER 395 N 2.00 6.88 -0.04 1.61 0.01 -1.26 -5.01 113.70 117.89 3h1c s SER 395 Ca 0.00 1.05 -0.37 0.00 1.31 0.00 0.00 55.95 57.94 3h1c s SER 395 Cb 0.00 -2.31 -0.15 0.00 0.21 0.00 0.00 66.02 63.78 3h1c s SER 395 CO 0.00 0.22 1.63 -2.65 0.41 0.00 0.00 173.24 172.85 3h1c n PRO 396 N 2.28 1.60 -1.44 12.44 -0.02 -1.26 -4.95 135.00 143.66 3h1c n PRO 396 Ca -0.11 0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 61.65 3h1c n PRO 396 Cb 0.52 -2.31 0.09 0.00 -0.02 0.00 0.00 33.50 31.78 3h1c n PRO 396 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h1c s LYS 397 N 2.30 2.10 0.34 -0.52 1.02 -1.26 -4.85 119.74 118.87 3h1c s LYS 397 Ca 0.89 0.82 0.05 0.00 0.02 0.00 0.00 55.97 57.75 3h1c s LYS 397 Cb -0.87 -1.91 0.69 0.00 -0.52 0.00 0.00 37.83 35.23 3h1c s LYS 397 CO 0.52 -1.66 1.94 0.00 -0.92 0.00 0.00 175.35 175.22 3h1c h ARG 398 N -1.12 0.80 -0.08 1.68 3.08 -1.99 -1.33 114.38 115.41 3h1c h ARG 398 Ca -0.46 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.44 3h1c h ARG 398 Cb 1.25 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3h1c h ARG 398 CO 0.57 0.53 -0.39 -0.09 -1.07 0.00 0.00 179.97 179.52 3h1c h ARG 399 N 0.82 0.18 -0.03 0.04 2.43 -1.99 -1.88 114.38 113.95 3h1c h ARG 399 Ca 0.35 -0.08 -0.24 0.00 -0.81 0.00 0.00 59.98 59.20 3h1c h ARG 399 Cb 0.29 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3h1c h ARG 399 CO -0.13 0.54 -0.93 0.93 -1.51 0.00 0.00 179.97 178.88 3h1c h GLU 400 N 0.15 0.58 -0.14 0.20 5.08 -1.58 -2.59 114.58 116.28 3h1c h GLU 400 Ca 0.02 -0.58 -0.17 0.00 -1.00 0.00 0.00 59.36 57.62 3h1c h GLU 400 Cb 0.75 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3h1c h GLU 400 CO 0.06 1.20 -0.64 0.82 -1.00 0.00 0.00 179.01 179.45 3h1c h ILE 401 N 0.34 1.34 -0.32 3.13 2.04 -1.35 -1.40 117.51 121.30 3h1c h ILE 401 Ca -0.09 -1.94 -0.04 0.00 1.00 0.00 0.00 64.86 63.79 3h1c h ILE 401 Cb 1.57 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 3h1c h ILE 401 CO 0.17 0.60 0.04 1.23 0.00 0.00 0.00 178.15 180.19 3h1c h GLY 402 N 1.11 0.58 2.00 5.37 0.00 -1.38 -2.69 103.07 108.06 3h1c h GLY 402 Ca -0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 3h1c h GLY 402 CO 0.12 0.37 -0.51 0.45 0.00 0.00 0.00 176.54 176.96 3h1c h HIS 403 N 0.36 0.00 -0.37 5.60 3.86 -1.50 -2.59 115.15 120.50 3h1c h HIS 403 Ca 0.10 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 3h1c h HIS 403 Cb 0.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 3h1c h HIS 403 CO 0.03 0.51 0.08 0.78 0.86 0.00 0.00 177.93 180.19 3h1c h GLY 404 N 2.50 0.65 1.68 2.45 0.00 -1.14 0.22 103.07 109.44 3h1c h GLY 404 Ca -0.01 -0.42 -0.18 0.00 0.00 0.00 0.00 47.33 46.73 3h1c h GLY 404 CO 0.07 0.39 -0.74 -0.09 0.00 0.00 0.00 176.54 176.17 3h1c h ARG 405 N 0.46 0.31 -0.43 4.80 9.65 -1.55 -2.44 114.38 125.17 3h1c h ARG 405 Ca 0.12 -0.26 -0.07 0.00 -1.10 0.00 0.00 59.98 58.66 3h1c h ARG 405 Cb 0.32 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 3h1c h ARG 405 CO 0.00 0.91 -0.03 1.25 2.80 0.00 0.00 179.97 184.91 3h1c h LEU 406 N 0.21 0.69 -0.47 3.80 5.85 -1.27 0.11 115.31 124.23 3h1c h LEU 406 Ca -0.03 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.40 3h1c h LEU 406 Cb 1.31 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3h1c h LEU 406 CO 0.12 0.78 -0.58 0.00 -0.34 0.00 0.00 178.44 178.41 3h1c h ALA 407 N 1.30 0.77 0.00 1.25 0.00 -0.97 -3.12 119.26 118.49 3h1c h ALA 407 Ca 0.13 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 3h1c h ALA 407 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3h1c h ALA 407 CO 0.02 0.73 -0.57 -0.22 0.00 0.00 0.00 179.25 179.21 3h1c h LYS 408 N 0.00 0.00 -0.54 0.00 3.64 -0.85 -3.20 116.57 115.62 3h1c h LYS 408 Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3h1c h LYS 408 Cb 1.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3h1c h LYS 408 CO 0.08 0.57 0.36 0.00 -2.27 0.00 0.00 179.45 178.19 3h1c h ARG 409 N 0.00 0.57 0.00 1.90 2.47 -0.74 -1.76 114.38 116.82 3h1c h ARG 409 Ca -0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3h1c h ARG 409 Cb 1.06 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 3h1c h ARG 409 CO 0.07 0.38 -0.81 0.78 0.56 0.00 0.00 179.97 180.95 3h1c h GLY 410 N 0.59 0.00 0.32 0.04 0.00 -1.67 -3.38 103.07 98.96 3h1c h GLY 410 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.20 3h1c h GLY 410 CO -0.06 0.00 -2.20 -0.62 0.00 0.00 0.00 176.54 173.66 3h1c n VAL 411 N -2.69 1.53 -0.23 4.60 0.31 -1.09 -4.46 118.33 116.30 3h1c n VAL 411 Ca 0.01 -0.74 0.01 0.00 -0.01 0.00 0.00 64.34 63.62 3h1c n VAL 411 Cb 0.54 -1.05 0.25 0.00 -0.91 0.00 0.00 33.84 32.67 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 0.01 0.86 -0.81 7.52 5.85 -1.50 -2.46 115.31 124.77 3h1c h LEU 412 Ca -0.48 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 3h1c h LEU 412 Cb 2.07 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 3h1c h LEU 412 CO 0.02 0.61 -0.59 0.00 -0.34 0.00 0.00 178.44 178.14 3h1c h ALA 413 N 1.53 1.02 0.00 1.25 0.00 -1.78 -3.19 119.26 118.09 3h1c h ALA 413 Ca 0.30 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3h1c h ALA 413 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3h1c h ALA 413 CO -0.08 0.74 -0.80 1.55 0.00 0.00 0.00 179.25 180.67 3h1c n VAL 414 N -3.83 0.06 -2.27 0.00 3.14 -1.05 -4.86 118.33 109.53 3h1c n VAL 414 Ca -0.01 -0.08 -0.37 0.00 -2.96 0.00 0.00 64.34 60.91 3h1c n VAL 414 Cb 0.59 0.42 -0.01 0.00 -1.06 0.00 0.00 33.84 33.78 3h1c n VAL 414 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 3h1c s MET 415 N -3.07 3.79 0.83 1.45 1.00 -0.95 -2.26 119.30 120.09 3h1c s MET 415 Ca 0.08 1.77 -0.11 0.00 0.00 0.00 0.00 55.69 57.43 3h1c s MET 415 Cb 0.16 -2.43 0.09 0.00 0.00 0.00 0.00 34.83 32.66 3h1c s MET 415 CO 0.78 -0.53 1.09 -1.25 0.00 0.00 0.00 175.02 175.11 3h1c s PRO 416 N -2.67 1.78 0.83 2.03 0.04 -1.26 -4.85 135.00 130.89 3h1c s PRO 416 Ca 0.63 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 3h1c s PRO 416 Cb -0.28 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.49 3h1c s PRO 416 CO 0.35 -1.92 1.12 -0.51 0.04 0.00 0.00 177.00 176.07 3h1c s ASP 417 N -3.45 4.26 0.47 6.66 1.01 -1.26 -4.92 116.67 119.43 3h1c s ASP 417 Ca 0.62 1.14 0.26 0.00 0.71 0.00 0.00 52.55 55.29 3h1c s ASP 417 Cb -0.17 -1.81 0.93 0.00 1.01 0.00 0.00 42.92 42.87 3h1c s ASP 417 CO 0.56 -2.10 1.82 0.24 0.21 0.00 0.00 175.17 175.90 3h1c h MET 418 N -1.18 0.00 -0.30 8.23 2.86 -1.97 -2.53 114.93 120.04 3h1c h MET 418 Ca -0.48 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.02 3h1c h MET 418 Cb 1.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 3h1c h MET 418 CO 0.61 0.14 -0.37 -0.44 1.06 0.00 0.00 176.91 177.90 3h1c h ASP 419 N 0.00 0.74 0.54 1.22 3.32 -2.01 -3.10 116.42 117.13 3h1c h ASP 419 Ca -0.00 -0.32 -0.28 0.00 0.02 0.00 0.00 57.03 56.44 3h1c h ASP 419 Cb 0.75 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 3h1c h ASP 419 CO 0.02 1.03 -1.63 0.11 -1.72 0.00 0.00 179.24 177.05 3h1c h LYS 420 N 0.58 0.00 -2.99 3.56 1.57 -1.95 -3.44 116.57 113.91 3h1c h LYS 420 Ca 0.05 -0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.26 3h1c h LYS 420 Cb 0.90 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.82 3h1c h LYS 420 CO 0.08 0.55 -0.78 0.12 -0.57 0.00 0.00 179.45 178.85 3h1c s PHE 421 N -2.61 0.97 -0.49 -1.35 5.36 -0.96 -5.03 117.98 113.87 3h1c s PHE 421 Ca -0.04 -1.44 -0.03 0.00 -0.96 0.00 0.00 56.93 54.46 3h1c s PHE 421 Cb 0.08 -1.24 0.18 0.00 -0.34 0.00 0.00 43.02 41.70 3h1c s PHE 421 CO 0.82 -0.84 2.42 -0.35 -1.46 0.00 0.00 175.22 175.81 3h1c n PRO 422 N 4.70 2.32 -4.98 10.12 -0.04 -1.17 -4.27 135.00 141.68 3h1c n PRO 422 Ca 0.01 -2.39 -0.28 0.00 -0.04 0.00 0.00 63.50 60.79 3h1c n PRO 422 Cb 0.40 -2.04 -0.16 0.00 -0.04 0.00 0.00 33.50 31.66 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 -2.25 2.02 -0.19 0.54 1.51 -1.26 -4.67 117.35 113.05 3h1c s TYR 423 Ca 0.52 -0.67 -0.29 0.00 -1.01 0.00 0.00 57.07 55.62 3h1c s TYR 423 Cb 0.37 -1.36 -0.00 0.00 -0.11 0.00 0.00 41.96 40.85 3h1c s TYR 423 CO -0.17 -0.25 1.16 0.95 -1.11 0.00 0.00 175.55 176.13 3h1c s THR 424 N 0.14 4.46 -0.18 -0.71 -4.23 -1.02 -4.85 115.64 109.26 3h1c s THR 424 Ca -0.08 1.76 -0.05 0.00 -1.18 0.00 0.00 61.69 62.14 3h1c s THR 424 Cb -0.14 -4.14 -0.03 0.00 1.34 0.00 0.00 72.50 69.53 3h1c s THR 424 CO 0.04 -0.15 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.28 3h1c s VAL 425 N 3.32 4.12 -0.16 2.29 1.01 -1.07 -0.53 120.40 129.39 3h1c s VAL 425 Ca 0.50 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 3h1c s VAL 425 Cb -0.19 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 3h1c s VAL 425 CO 0.11 0.46 -0.06 -0.60 0.00 0.00 0.00 175.10 175.01 3h1c s ARG 426 N 0.58 3.57 -0.20 2.72 3.52 0.23 -1.51 118.95 127.86 3h1c s ARG 426 Ca -0.01 -0.57 -0.01 0.00 -0.13 0.00 0.00 55.73 55.01 3h1c s ARG 426 Cb -0.14 -2.86 0.01 0.00 -1.56 0.00 0.00 34.95 30.40 3h1c s ARG 426 CO 0.02 0.18 -0.13 0.08 -0.81 0.00 0.00 175.30 174.64 3h1c s VAL 427 N 0.51 2.65 -0.18 7.11 1.01 0.57 -0.04 120.40 132.02 3h1c s VAL 427 Ca -0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 3h1c s VAL 427 Cb -0.15 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 3h1c s VAL 427 CO 0.03 0.47 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 3h1c s VAL 428 N 1.37 2.98 -0.19 2.92 1.01 -0.32 -0.81 120.40 127.36 3h1c s VAL 428 Ca 0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 3h1c s VAL 428 Cb -0.14 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3h1c s VAL 428 CO -0.09 0.48 0.02 -0.55 0.00 0.00 0.00 175.10 174.97 3h1c s SER 429 N 1.05 5.17 -0.26 3.32 0.15 -0.12 -0.68 113.70 122.33 3h1c s SER 429 Ca -0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 3h1c s SER 429 Cb -0.15 -1.88 0.04 0.00 -1.71 0.00 0.00 66.02 62.33 3h1c s SER 429 CO -0.02 0.12 -0.07 -1.61 1.20 0.00 0.00 173.24 172.86 3h1c s GLU 430 N 0.66 2.53 -0.45 5.44 0.41 0.36 -2.24 118.70 125.41 3h1c s GLU 430 Ca 0.01 -1.17 -0.26 0.00 -0.41 0.00 0.00 54.97 53.14 3h1c s GLU 430 Cb -0.14 -2.98 0.03 0.00 -1.78 0.00 0.00 34.13 29.26 3h1c s GLU 430 CO 0.02 -0.51 0.96 0.42 -0.49 0.00 0.00 175.26 175.66 3h1c s ILE 431 N 1.23 4.45 -0.08 -1.63 -1.09 -1.13 0.50 121.20 123.45 3h1c s ILE 431 Ca -0.04 0.91 0.14 0.00 -2.23 0.00 0.00 60.65 59.43 3h1c s ILE 431 Cb -0.18 -4.44 -0.23 0.00 -1.58 0.00 0.00 42.46 36.03 3h1c s ILE 431 CO -0.04 -0.81 0.56 0.35 -1.23 0.00 0.00 174.94 173.77 3h1c n THR 432 N 6.40 1.50 -3.77 2.92 -2.24 -1.13 -4.41 114.28 113.55 3h1c n THR 432 Ca 0.07 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 60.93 3h1c n THR 432 Cb 0.48 -0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 67.73 3h1c n THR 432 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3h1c s GLU 433 N -2.62 0.48 -0.05 -0.78 -1.05 -1.24 -3.87 118.70 109.57 3h1c s GLU 433 Ca -0.06 0.17 -0.02 0.00 -0.15 0.00 0.00 54.97 54.91 3h1c s GLU 433 Cb 0.08 0.22 0.03 0.00 -0.44 0.00 0.00 34.13 34.02 3h1c s GLU 433 CO 0.83 -0.10 0.10 0.45 0.95 0.00 0.00 175.26 177.49 3h1c s SER 434 N -0.44 -0.07 0.30 0.83 0.15 -0.90 -2.02 113.70 111.54 3h1c s SER 434 Ca -0.06 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.80 3h1c s SER 434 Cb -0.04 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 3h1c s SER 434 CO 0.02 -0.11 0.00 -3.20 1.20 0.00 0.00 173.24 171.15 3h1c n ASN 435 N 3.83 -0.35 0.00 5.45 5.15 -1.26 -4.65 115.26 123.44 3h1c n ASN 435 Ca -0.22 0.51 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 3h1c n ASN 435 Cb 0.54 0.56 0.00 0.00 -0.53 0.00 0.00 39.78 40.35 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 1.38 1.10 3.24 8.20 0.00 -1.26 -1.41 105.19 116.43 3h1c n GLY 436 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 5.31 0.14 1.61 0.15 -1.26 -4.72 113.70 113.93 3h1c s SER 437 Ca 0.00 -1.36 0.17 0.00 0.70 0.00 0.00 55.95 55.46 3h1c s SER 437 Cb 0.00 -1.86 -0.06 0.00 -1.71 0.00 0.00 66.02 62.39 3h1c s SER 437 CO 0.00 -0.39 1.03 0.28 1.20 0.00 0.00 173.24 175.36 3h1c h SER 438 N 8.20 0.00 -0.18 5.45 0.02 -1.94 -3.06 113.55 122.03 3h1c h SER 438 Ca -0.21 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.58 3h1c h SER 438 Cb 1.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3h1c h SER 438 CO 0.64 0.46 -0.45 0.77 -1.14 0.00 0.00 176.83 177.11 3h1c h SER 439 N 0.00 0.80 1.47 3.07 4.64 -1.93 -1.92 113.55 119.68 3h1c h SER 439 Ca -0.10 -0.39 -0.09 0.00 -0.47 0.00 0.00 61.79 60.74 3h1c h SER 439 Cb 1.44 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3h1c h SER 439 CO 0.04 1.13 -0.54 0.24 -0.87 0.00 0.00 176.83 176.83 3h1c h MET 440 N 0.59 0.00 0.00 4.77 2.86 -1.91 -3.11 114.93 118.13 3h1c h MET 440 Ca 0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3h1c h MET 440 Cb 1.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 3h1c h MET 440 CO 0.10 0.39 -0.25 0.00 1.06 0.00 0.00 176.91 178.21 3h1c h ALA 441 N 1.58 0.92 -0.02 6.32 0.00 -1.46 -3.09 119.26 123.51 3h1c h ALA 441 Ca -0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3h1c h ALA 441 Cb 1.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3h1c h ALA 441 CO 0.05 0.31 -0.47 0.77 0.00 0.00 0.00 179.25 179.90 3h1c h SER 442 N 0.00 0.06 -0.32 0.00 0.02 -1.27 -2.09 113.55 109.95 3h1c h SER 442 Ca -0.00 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.79 3h1c h SER 442 Cb 0.94 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 3h1c h SER 442 CO 0.03 0.53 -0.27 0.58 -1.14 0.00 0.00 176.83 176.56 3h1c h VAL 443 N 0.04 1.27 -0.51 2.27 2.07 -1.60 0.51 116.25 120.31 3h1c h VAL 443 Ca -0.00 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 3h1c h VAL 443 Cb 0.86 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3h1c h VAL 443 CO 0.06 0.47 -0.08 0.00 0.02 0.00 0.00 177.57 178.05 3h1c h GLY 445 N 0.97 0.00 1.00 0.00 0.00 -1.22 -3.27 103.07 100.55 3h1c h GLY 445 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.36 3h1c h GLY 445 CO 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.40 3h1c h ALA 446 N 1.64 0.52 -0.11 3.60 0.00 -0.70 -1.99 119.26 122.22 3h1c h ALA 446 Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3h1c h ALA 446 Cb 1.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3h1c h ALA 446 CO 0.05 0.46 -0.30 1.03 0.00 0.00 0.00 179.25 180.49 3h1c h SER 447 N 0.58 0.20 0.64 0.00 0.87 -1.59 -1.76 113.55 112.48 3h1c h SER 447 Ca 0.08 -0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.37 3h1c h SER 447 Cb 0.73 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 3h1c h SER 447 CO 0.06 0.50 -0.92 -0.07 -0.53 0.00 0.00 176.83 175.86 3h1c h LEU 448 N 0.18 0.24 -0.33 2.23 3.38 -1.59 -3.01 115.31 116.40 3h1c h LEU 448 Ca 0.03 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.59 3h1c h LEU 448 Cb 0.62 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3h1c h LEU 448 CO 0.05 1.04 -0.79 0.00 0.09 0.00 0.00 178.44 178.82 3h1c h ALA 449 N 0.94 0.52 -0.12 1.53 0.00 -1.12 -2.95 119.26 118.07 3h1c h ALA 449 Ca -0.05 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 54.05 3h1c h ALA 449 Cb 1.57 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3h1c h ALA 449 CO 0.14 0.78 -0.64 -0.07 0.00 0.00 0.00 179.25 179.46 3h1c h LEU 450 N 0.26 0.52 -0.83 0.00 3.38 -1.39 -1.97 115.31 115.28 3h1c h LEU 450 Ca -0.04 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 3h1c h LEU 450 Cb 1.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3h1c h LEU 450 CO 0.14 1.02 -0.48 0.24 0.09 0.00 0.00 178.44 179.45 3h1c h MET 451 N 0.33 0.24 -0.01 1.13 2.86 -1.58 0.38 114.93 118.27 3h1c h MET 451 Ca -0.01 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 3h1c h MET 451 Cb 1.20 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 3h1c h MET 451 CO 0.11 0.68 -0.77 0.22 1.06 0.00 0.00 176.91 178.21 3h1c h ASP 452 N 0.20 0.17 0.54 1.22 3.58 -1.45 -3.22 116.42 117.45 3h1c h ASP 452 Ca 0.01 -0.13 -0.16 0.00 0.42 0.00 0.00 57.03 57.18 3h1c h ASP 452 Cb 0.93 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 3h1c h ASP 452 CO 0.08 0.87 -0.69 0.00 -2.88 0.00 0.00 179.24 176.62 3h1c h ALA 453 N 1.12 0.79 0.00 -0.78 0.00 -1.20 -3.43 119.26 115.76 3h1c h ALA 453 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3h1c h ALA 453 Cb 1.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3h1c h ALA 453 CO 0.11 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.59 3h1c n GLY 454 N 0.46 1.39 3.65 0.00 0.00 -0.76 -4.86 105.19 105.07 3h1c n GLY 454 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3h1c n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1c s VAL 455 N -2.00 4.51 -1.34 1.61 1.01 0.05 -4.95 120.40 119.29 3h1c s VAL 455 Ca 0.00 1.81 -0.16 0.00 0.00 0.00 0.00 61.98 63.63 3h1c s VAL 455 Cb 0.00 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.16 3h1c s VAL 455 CO 0.00 -0.25 2.05 -0.81 0.00 0.00 0.00 175.10 176.09 3h1c n PRO 456 N 6.56 2.78 -2.33 2.72 -0.04 -1.26 -4.45 135.00 138.98 3h1c n PRO 456 Ca 0.13 -2.73 -0.36 0.00 -0.04 0.00 0.00 63.50 60.50 3h1c n PRO 456 Cb 0.46 -3.34 -0.01 0.00 -0.04 0.00 0.00 33.50 30.57 3h1c n PRO 456 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3h1c s ILE 457 N 3.96 3.29 0.17 0.52 -4.36 -1.26 -4.45 121.20 119.08 3h1c s ILE 457 Ca 0.51 0.89 -0.11 0.00 -0.26 0.00 0.00 60.65 61.67 3h1c s ILE 457 Cb 0.11 -3.41 0.07 0.00 1.25 0.00 0.00 42.46 40.48 3h1c s ILE 457 CO -0.01 -0.09 1.71 0.11 0.24 0.00 0.00 174.94 176.89 3h1c h LYS 458 N 1.72 0.93 -3.52 0.37 1.57 -1.78 -3.46 116.57 112.39 3h1c h LYS 458 Ca -0.49 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.04 3h1c h LYS 458 Cb 1.25 -0.14 -0.11 0.00 0.08 0.00 0.00 32.23 33.31 3h1c h LYS 458 CO 0.59 0.82 -0.10 0.00 -0.57 0.00 0.00 179.45 180.18 3h1c s ALA 459 N -5.45 -0.58 0.29 3.86 0.00 -1.26 -5.15 121.76 113.48 3h1c s ALA 459 Ca -0.13 -0.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 3h1c s ALA 459 Cb 0.13 0.85 -0.09 0.00 0.00 0.00 0.00 23.12 24.01 3h1c s ALA 459 CO 0.81 -0.75 0.96 0.00 0.00 0.00 0.00 175.76 176.78 3h1c s ALA 460 N -3.91 3.26 -0.05 0.00 0.00 -1.26 -4.97 121.76 114.83 3h1c s ALA 460 Ca 0.12 0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.72 3h1c s ALA 460 Cb 0.01 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.92 3h1c s ALA 460 CO -0.02 0.15 -0.18 0.54 0.00 0.00 0.00 175.76 176.25 3h1c s VAL 461 N -1.43 1.52 0.28 0.00 0.11 -1.26 -4.23 120.40 115.39 3h1c s VAL 461 Ca 0.47 -0.76 -0.01 0.00 -2.93 0.00 0.00 61.98 58.75 3h1c s VAL 461 Cb -0.22 -1.31 -0.02 0.00 -1.53 0.00 0.00 36.38 33.29 3h1c s VAL 461 CO 0.28 0.44 0.32 0.00 -3.33 0.00 0.00 175.10 172.81 3h1c s ALA 462 N 0.10 1.05 0.00 1.54 0.00 -0.80 -4.13 121.76 119.52 3h1c s ALA 462 Ca -0.06 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.26 3h1c s ALA 462 Cb -0.13 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.30 3h1c s ALA 462 CO 0.03 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.49 3h1c n GLY 463 N -0.47 0.71 3.21 0.00 0.00 -1.26 -1.49 105.19 105.89 3h1c n GLY 463 Ca 0.03 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 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 0.12 0.06 -0.61 -5.25 -0.95 -4.54 121.20 108.04 3h1c s ILE 464 Ca 0.00 -1.55 -0.04 0.00 -0.99 0.00 0.00 60.65 58.07 3h1c s ILE 464 Cb 0.00 -1.71 -0.05 0.00 2.95 0.00 0.00 42.46 43.65 3h1c s ILE 464 CO 0.00 -0.56 0.28 0.00 -1.79 0.00 0.00 174.94 172.87 3h1c s ALA 465 N -3.95 3.88 0.05 2.27 0.00 -1.26 -2.17 121.76 120.57 3h1c s ALA 465 Ca 0.14 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.52 3h1c s ALA 465 Cb 0.06 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 3h1c s ALA 465 CO -0.04 0.71 -0.20 -1.64 0.00 0.00 0.00 175.76 174.60 3h1c s MET 466 N -2.25 1.98 0.32 0.00 1.00 0.18 -2.45 119.30 118.08 3h1c s MET 466 Ca 0.34 -1.03 0.07 0.00 0.00 0.00 0.00 55.69 55.06 3h1c s MET 466 Cb -0.13 -2.14 -0.06 0.00 0.00 0.00 0.00 34.83 32.50 3h1c s MET 466 CO 0.22 0.53 -0.04 0.20 0.00 0.00 0.00 175.02 175.93 3h1c s GLY 467 N -1.50 2.06 -0.06 -0.03 0.00 -0.91 -0.25 107.32 106.63 3h1c s GLY 467 Ca 0.14 -2.03 -0.05 0.00 0.00 0.00 0.00 44.72 42.78 3h1c s GLY 467 CO 0.05 -1.92 0.15 -2.27 0.00 0.00 0.00 173.10 169.11 3h1c s LEU 468 N -3.53 1.35 -0.34 0.66 2.96 -1.26 -0.87 118.68 117.65 3h1c s LEU 468 Ca 0.32 0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 54.54 3h1c s LEU 468 Cb 0.05 0.52 0.08 0.00 0.50 0.00 0.00 46.19 47.34 3h1c s LEU 468 CO 0.14 -0.06 0.06 -0.69 -1.32 0.00 0.00 176.35 174.49 3h1c s VAL 469 N 0.18 2.84 -0.04 1.68 1.01 -1.00 -2.14 120.40 122.93 3h1c s VAL 469 Ca -0.01 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.14 3h1c s VAL 469 Cb -0.02 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.55 3h1c s VAL 469 CO -0.00 -0.39 -0.01 -0.75 0.00 0.00 0.00 175.10 173.95 3h1c s LYS 470 N 1.12 0.47 0.00 2.72 2.20 -1.26 -3.05 119.74 121.95 3h1c s LYS 470 Ca 0.02 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 3h1c s LYS 470 Cb -0.21 -0.65 0.00 0.00 -1.51 0.00 0.00 37.83 35.46 3h1c s LYS 470 CO -0.04 -0.15 0.00 -1.91 -0.36 0.00 0.00 175.35 172.89 3h1c n GLU 471 N 4.31 2.34 0.00 4.03 0.00 -1.26 -5.00 120.64 125.06 3h1c n GLU 471 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.94 3h1c n GLU 471 Cb 0.50 -0.84 0.00 0.00 0.00 0.00 0.00 31.44 31.11 3h1c n GLU 471 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3h1c n GLY 472 N 1.95 1.35 0.01 8.31 0.00 -1.26 -5.06 105.19 110.49 3h1c n GLY 472 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h1c n GLY 472 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h1c n ASP 473 N 0.00 4.66 -4.79 1.61 5.75 -1.26 -5.03 116.55 117.49 3h1c n ASP 473 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.42 3h1c n ASP 473 Cb 0.00 0.69 -0.05 0.00 -1.03 0.00 0.00 41.12 40.73 3h1c n ASP 473 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3h1c s ASN 474 N -2.87 6.90 0.03 -1.12 2.20 -1.26 -5.07 114.94 113.75 3h1c s ASN 474 Ca -0.01 1.93 0.00 0.00 -0.94 0.00 0.00 52.86 53.84 3h1c s ASN 474 Cb 0.01 -2.57 -0.02 0.00 -2.00 0.00 0.00 41.25 36.66 3h1c s ASN 474 CO 0.06 -0.39 -0.03 -0.72 -2.94 0.00 0.00 177.10 173.08 3h1c s TYR 475 N -1.75 0.35 -0.13 1.54 1.13 -1.26 -4.45 117.35 112.77 3h1c s TYR 475 Ca 0.57 -0.62 0.00 0.00 -1.41 0.00 0.00 57.07 55.62 3h1c s TYR 475 Cb -0.19 -0.24 0.02 0.00 -1.10 0.00 0.00 41.96 40.45 3h1c s TYR 475 CO 0.24 -0.21 -0.12 0.08 -2.51 0.00 0.00 175.55 173.02 3h1c s VAL 476 N -1.89 1.39 -0.16 -3.49 1.01 -1.17 -5.03 120.40 111.06 3h1c s VAL 476 Ca -0.11 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 3h1c s VAL 476 Cb -0.07 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3h1c s VAL 476 CO -0.02 0.43 0.43 -0.69 0.00 0.00 0.00 175.10 175.25 3h1c s VAL 477 N 1.43 5.20 -0.10 2.92 1.01 -1.26 -2.38 120.40 127.22 3h1c s VAL 477 Ca 0.02 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 3h1c s VAL 477 Cb -0.13 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3h1c s VAL 477 CO -0.08 0.30 -0.03 -0.76 0.00 0.00 0.00 175.10 174.53 3h1c s LEU 478 N 0.90 3.35 -0.20 3.92 1.02 -0.05 -4.58 118.68 123.03 3h1c s LEU 478 Ca 0.22 0.01 -0.09 0.00 0.02 0.00 0.00 54.13 54.30 3h1c s LEU 478 Cb -0.15 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 3h1c s LEU 478 CO 0.09 0.31 0.10 -0.44 0.02 0.00 0.00 176.35 176.43 3h1c s SER 479 N -0.51 5.86 -0.51 2.29 0.01 -1.00 -2.13 113.70 117.71 3h1c s SER 479 Ca 0.08 0.11 -0.19 0.00 1.31 0.00 0.00 55.95 57.26 3h1c s SER 479 Cb -0.12 -2.03 0.03 0.00 0.21 0.00 0.00 66.02 64.11 3h1c s SER 479 CO 0.02 0.14 0.63 -0.67 0.41 0.00 0.00 173.24 173.77 3h1c n ASP 480 N 3.80 -6.96 -4.86 2.44 2.03 -1.03 -4.59 116.55 107.37 3h1c n ASP 480 Ca -0.16 0.12 -0.30 0.00 0.52 0.00 0.00 54.79 54.97 3h1c n ASP 480 Cb 0.52 -3.99 0.04 0.00 -0.72 0.00 0.00 41.12 36.97 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 -2.37 3.91 0.36 5.18 -4.36 -1.24 -4.79 121.20 117.89 3h1c s ILE 481 Ca 0.23 0.62 -0.00 0.00 -0.26 0.00 0.00 60.65 61.24 3h1c s ILE 481 Cb -0.05 -3.56 0.07 0.00 1.25 0.00 0.00 42.46 40.18 3h1c s ILE 481 CO 0.81 -0.81 0.49 0.18 0.24 0.00 0.00 174.94 175.85 3h1c n LEU 482 N -2.98 0.00 0.11 0.37 4.32 -1.26 -4.32 117.00 113.24 3h1c n LEU 482 Ca 0.07 -1.02 -0.03 0.00 -0.02 0.00 0.00 56.01 55.00 3h1c n LEU 482 Cb 0.56 -0.32 0.16 0.00 -1.62 0.00 0.00 43.42 42.19 3h1c n LEU 482 CO 0.57 -0.74 0.51 1.23 -1.22 0.00 0.00 177.39 177.74 3h1c h GLY 483 N -0.31 0.17 2.00 -0.72 0.00 -1.52 -2.86 103.07 99.83 3h1c h GLY 483 Ca -0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 3h1c h GLY 483 CO 0.17 0.19 -0.57 -0.55 0.00 0.00 0.00 176.54 175.78 3h1c h ASP 484 N 0.12 0.00 0.53 0.19 3.32 -1.95 -2.95 116.42 115.67 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 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3h1c h ASP 484 CO 0.08 0.57 -0.26 -0.62 -1.72 0.00 0.00 179.24 177.29 3h1c n GLU 485 N -3.39 0.30 -0.10 3.56 1.02 -1.18 -2.85 120.64 118.00 3h1c n GLU 485 Ca 0.01 -0.13 -0.21 0.00 -0.02 0.00 0.00 57.16 56.80 3h1c n GLU 485 Cb 0.70 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.24 2.00 -0.04 1.62 2.03 -1.09 -3.12 116.55 116.72 3h1c n ASP 486 Ca 0.09 0.06 -0.15 0.00 0.52 0.00 0.00 54.79 55.31 3h1c n ASP 486 Cb 0.32 -0.62 -0.09 0.00 -0.72 0.00 0.00 41.12 40.02 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 -0.25 0.55 -0.00 -0.67 3.86 -1.66 -3.22 115.15 113.77 3h1c h HIS 487 Ca -0.56 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.42 3h1c h HIS 487 Cb 1.83 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 30.21 3h1c h HIS 487 CO 0.02 0.97 -0.21 1.28 0.86 0.00 0.00 177.93 180.85 3h1c n LEU 488 N -4.36 0.52 0.00 2.43 4.77 -1.13 -4.86 117.00 114.36 3h1c n LEU 488 Ca -0.08 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3h1c n LEU 488 Cb 0.52 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3h1c n LEU 488 CO 0.43 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3h1c n GLY 489 N 1.38 -0.69 0.00 -0.72 0.00 -1.18 -4.91 105.19 99.06 3h1c n GLY 489 Ca 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 3.11 -3.71 1.61 8.00 -0.91 -5.00 116.55 119.65 3h1c n ASP 490 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 3h1c n ASP 490 Cb 0.00 0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.54 0.91 -0.29 -1.24 0.23 -1.26 -1.19 119.30 114.92 3h1c s MET 491 Ca 0.00 -0.60 0.03 0.00 -1.03 0.00 0.00 55.69 54.09 3h1c s MET 491 Cb 0.00 0.40 0.07 0.00 -1.53 0.00 0.00 34.83 33.77 3h1c s MET 491 CO 0.00 -0.32 -0.05 0.34 -2.03 0.00 0.00 175.02 172.96 3h1c s ASP 492 N -2.38 4.59 -0.58 -1.18 2.15 0.15 -4.08 116.67 115.34 3h1c s ASP 492 Ca -0.01 -1.59 -0.03 0.00 0.43 0.00 0.00 52.55 51.35 3h1c s ASP 492 Cb 0.01 -1.59 0.15 0.00 -0.30 0.00 0.00 42.92 41.19 3h1c s ASP 492 CO -0.07 -0.25 0.39 0.12 -0.17 0.00 0.00 175.17 175.19 3h1c s PHE 493 N 1.07 3.45 -0.10 -5.34 5.36 0.65 -0.46 117.98 122.60 3h1c s PHE 493 Ca -0.03 -2.64 -0.20 0.00 -0.96 0.00 0.00 56.93 53.10 3h1c s PHE 493 Cb -0.20 -3.21 -0.04 0.00 -0.34 0.00 0.00 43.02 39.23 3h1c s PHE 493 CO -0.05 -0.87 0.55 0.15 -1.46 0.00 0.00 175.22 173.54 3h1c s LYS 494 N 0.21 4.37 -0.04 10.12 1.02 0.44 0.50 119.74 136.36 3h1c s LYS 494 Ca 0.15 0.59 0.03 0.00 0.02 0.00 0.00 55.97 56.76 3h1c s LYS 494 Cb -0.21 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.67 3h1c s LYS 494 CO -0.04 0.12 -0.11 0.08 -0.92 0.00 0.00 175.35 174.49 3h1c s VAL 495 N 0.69 0.96 -0.01 3.17 1.01 -0.92 -0.55 120.40 124.74 3h1c s VAL 495 Ca 0.30 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3h1c s VAL 495 Cb -0.16 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.38 3h1c s VAL 495 CO 0.13 0.30 0.02 0.00 0.00 0.00 0.00 175.10 175.55 3h1c s ALA 496 N 0.34 0.03 0.02 5.51 0.00 0.46 -2.23 121.76 125.88 3h1c s ALA 496 Ca -0.07 0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 3h1c s ALA 496 Cb -0.11 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 22.96 3h1c s ALA 496 CO 0.01 -0.06 1.08 0.41 0.00 0.00 0.00 175.76 177.21 3h1c n GLY 497 N 3.62 0.35 0.00 0.00 0.00 -0.55 0.23 105.19 108.84 3h1c n GLY 497 Ca -0.20 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3h1c n GLY 497 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h1c n SER 498 N -1.01 0.00 0.16 1.61 3.41 -0.03 -1.91 113.62 115.84 3h1c n SER 498 Ca 0.03 -0.37 0.03 0.00 -0.26 0.00 0.00 58.87 58.30 3h1c n SER 498 Cb 0.51 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.69 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 0.00 0.02 4.33 2.43 -1.95 -3.36 114.38 115.84 3h1c h ARG 499 Ca 0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 3h1c h ARG 499 Cb 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3h1c h ARG 499 CO 0.00 0.50 -1.99 -0.25 -1.51 0.00 0.00 179.97 176.71 3h1c n ASP 500 N -3.57 1.95 -2.48 -3.80 8.00 -1.26 -5.07 116.55 110.32 3h1c n ASP 500 Ca -0.00 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.66 3h1c n ASP 500 Cb 0.59 -0.83 -0.05 0.00 -0.02 0.00 0.00 41.12 40.81 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 1.56 3.31 3.67 0.44 0.00 -1.26 -4.81 105.19 108.11 3h1c n GLY 501 Ca -0.42 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 3h1c n GLY 501 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1c s ILE 502 N -2.86 4.91 -0.24 -0.61 1.01 0.93 -0.85 121.20 123.50 3h1c s ILE 502 Ca 0.25 0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.96 3h1c s ILE 502 Cb 0.01 -3.20 -0.19 0.00 0.01 0.00 0.00 42.46 39.09 3h1c s ILE 502 CO 0.18 0.48 -0.13 -1.54 0.00 0.00 0.00 174.94 173.93 3h1c n SER 503 N 3.29 1.54 -3.96 3.58 3.41 0.61 -2.36 113.62 119.74 3h1c n SER 503 Ca -0.17 -0.09 -0.13 0.00 -0.26 0.00 0.00 58.87 58.22 3h1c n SER 503 Cb 0.53 -0.12 -0.13 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.52 0.29 -0.16 7.33 0.00 0.14 -1.50 121.76 125.34 3h1c s ALA 504 Ca -0.29 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 3h1c s ALA 504 Cb 0.08 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.27 3h1c s ALA 504 CO 0.66 0.01 0.24 -1.17 0.00 0.00 0.00 175.76 175.50 3h1c s LEU 505 N -0.56 -0.21 -0.02 0.00 2.96 -1.26 -0.40 118.68 119.19 3h1c s LEU 505 Ca -0.03 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 3h1c s LEU 505 Cb -0.04 0.53 -0.03 0.00 0.50 0.00 0.00 46.19 47.16 3h1c s LEU 505 CO -0.00 -0.28 -0.17 -1.58 -1.32 0.00 0.00 176.35 172.99 3h1c s GLN 506 N 2.37 2.33 -0.11 1.98 0.74 0.29 -1.34 119.66 125.92 3h1c s GLN 506 Ca 0.05 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.64 3h1c s GLN 506 Cb -0.14 -2.27 0.03 0.00 1.10 0.00 0.00 33.01 31.73 3h1c s GLN 506 CO -0.10 0.59 -0.05 1.41 -0.55 0.00 0.00 175.29 176.59 3h1c s MET 507 N -0.88 1.23 -0.41 1.67 1.75 0.19 -0.42 119.30 122.43 3h1c s MET 507 Ca 0.12 -0.20 0.02 0.00 -1.25 0.00 0.00 55.69 54.38 3h1c s MET 507 Cb -0.10 -1.50 0.12 0.00 2.84 0.00 0.00 34.83 36.19 3h1c s MET 507 CO 0.01 -0.32 0.19 -0.51 -0.65 0.00 0.00 175.02 173.75 3h1c s ASP 508 N 1.78 3.87 -0.17 1.11 1.01 0.39 -0.48 116.67 124.18 3h1c s ASP 508 Ca 0.04 -2.39 -0.09 0.00 0.71 0.00 0.00 52.55 50.82 3h1c s ASP 508 Cb -0.13 -1.08 -0.05 0.00 1.01 0.00 0.00 42.92 42.67 3h1c s ASP 508 CO -0.07 -0.31 0.15 -0.63 0.21 0.00 0.00 175.17 174.52 3h1c s ILE 509 N 0.65 5.43 -0.71 0.77 1.01 -1.19 0.32 121.20 127.48 3h1c s ILE 509 Ca 0.15 0.23 0.21 0.00 0.00 0.00 0.00 60.65 61.25 3h1c s ILE 509 Cb -0.23 -3.46 -0.25 0.00 0.01 0.00 0.00 42.46 38.53 3h1c s ILE 509 CO -0.06 0.50 0.79 0.29 0.00 0.00 0.00 174.94 176.46 3h1c n LYS 510 N 2.99 0.20 -4.41 2.79 4.01 -0.34 -4.75 118.16 118.65 3h1c n LYS 510 Ca -0.17 -0.06 -0.26 0.00 -0.51 0.00 0.00 58.31 57.31 3h1c n LYS 510 Cb 0.53 -1.51 -0.11 0.00 -0.51 0.00 0.00 35.03 33.43 3h1c n LYS 510 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 3h1c s ILE 511 N -3.16 2.55 0.25 -0.18 -4.36 -1.23 -4.80 121.20 110.27 3h1c s ILE 511 Ca 0.03 -2.08 -0.05 0.00 -0.26 0.00 0.00 60.65 58.29 3h1c s ILE 511 Cb 0.15 -2.27 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 3h1c s ILE 511 CO 0.88 -0.20 0.51 -1.61 0.24 0.00 0.00 174.94 174.75 3h1c s GLU 512 N -2.97 3.64 0.00 0.37 2.02 -1.26 -4.65 118.70 115.85 3h1c s GLU 512 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.23 3h1c s GLU 512 Cb -0.07 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.46 3h1c s GLU 512 CO 0.12 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.10 3h1c n GLY 513 N -0.64 0.98 3.68 -1.39 0.00 -1.26 -5.08 105.19 101.48 3h1c n GLY 513 Ca -0.02 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3h1c n GLY 513 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3h1c s ILE 514 N -2.16 5.04 0.60 -0.61 2.07 -1.26 -5.07 121.20 119.81 3h1c s ILE 514 Ca 0.00 1.25 0.00 0.00 -1.41 0.00 0.00 60.65 60.49 3h1c s ILE 514 Cb 0.00 -3.97 0.06 0.00 0.13 0.00 0.00 42.46 38.68 3h1c s ILE 514 CO 0.00 0.16 0.84 0.42 -1.91 0.00 0.00 174.94 174.46 3h1c s THR 515 N 1.51 2.51 0.12 4.00 -4.23 -1.26 -4.55 115.64 113.74 3h1c s THR 515 Ca 0.31 -0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 60.13 3h1c s THR 515 Cb -0.16 -2.90 -0.18 0.00 1.34 0.00 0.00 72.50 70.60 3h1c s THR 515 CO 0.12 0.00 1.29 0.50 -0.54 0.00 0.00 174.62 175.99 3h1c h LYS 516 N -0.12 0.56 -0.07 3.99 3.64 -2.00 -3.28 116.57 119.29 3h1c h LYS 516 Ca -0.41 -0.55 -0.10 0.00 -1.27 0.00 0.00 60.65 58.32 3h1c h LYS 516 Cb 1.29 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.25 3h1c h LYS 516 CO 0.50 1.18 -0.41 0.93 -2.27 0.00 0.00 179.45 179.38 3h1c h GLU 517 N 0.34 0.14 0.00 1.90 5.08 -2.01 -2.89 114.58 117.15 3h1c h GLU 517 Ca -0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3h1c h GLU 517 Cb 1.55 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 3h1c h GLU 517 CO 0.17 0.53 0.00 -0.84 -1.00 0.00 0.00 179.01 177.87 3h1c h ILE 518 N 0.12 0.00 0.12 3.13 3.07 -1.99 -2.87 117.51 119.10 3h1c h ILE 518 Ca 0.01 -0.87 -0.27 0.00 1.55 0.00 0.00 64.86 65.27 3h1c h ILE 518 Cb 0.78 1.87 0.01 0.00 -0.27 0.00 0.00 36.82 39.21 3h1c h ILE 518 CO 0.06 0.00 -1.23 0.24 -1.05 0.00 0.00 178.15 176.17 3h1c h MET 519 N 0.00 0.31 0.01 0.16 2.86 -1.57 -2.97 114.93 113.73 3h1c h MET 519 Ca 0.00 -0.51 -0.22 0.00 -2.06 0.00 0.00 59.70 56.92 3h1c h MET 519 Cb 0.92 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 3h1c h MET 519 CO 0.00 1.23 -1.03 -0.56 1.06 0.00 0.00 176.91 177.60 3h1c h GLN 520 N 0.10 0.02 -0.33 1.72 3.07 -1.57 -2.87 115.11 115.25 3h1c h GLN 520 Ca -0.14 -0.03 -0.14 0.00 0.09 0.00 0.00 58.65 58.44 3h1c h GLN 520 Cb 1.94 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 29.51 3h1c h GLN 520 CO 0.21 1.00 -0.33 0.28 0.09 0.00 0.00 178.83 180.07 3h1c h VAL 521 N 0.00 1.29 0.00 1.86 2.07 -1.62 0.13 116.25 119.98 3h1c h VAL 521 Ca -0.02 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 3h1c h VAL 521 Cb 1.79 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 3h1c h VAL 521 CO 0.13 0.49 -0.08 0.00 0.02 0.00 0.00 177.57 178.13 3h1c h ALA 522 N 0.73 1.08 0.10 1.67 0.00 -1.59 -0.29 119.26 120.96 3h1c h ALA 522 Ca 0.05 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 3h1c h ALA 522 Cb 0.92 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3h1c h ALA 522 CO 0.08 0.10 -1.77 1.25 0.00 0.00 0.00 179.25 178.91 3h1c h LEU 523 N 0.00 0.34 -0.36 0.00 5.85 -1.27 -3.15 115.31 116.72 3h1c h LEU 523 Ca -0.00 -0.63 -0.19 0.00 0.84 0.00 0.00 57.88 57.90 3h1c h LEU 523 Cb 0.45 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3h1c h LEU 523 CO 0.01 1.55 -0.77 -1.13 -0.34 0.00 0.00 178.44 177.76 3h1c h ASN 524 N 0.06 0.48 0.92 1.25 -1.24 -0.58 -2.87 115.58 113.61 3h1c h ASN 524 Ca -0.33 -0.33 -0.10 0.00 0.71 0.00 0.00 56.30 56.25 3h1c h ASN 524 Cb 2.03 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.92 3h1c h ASN 524 CO 0.12 1.08 -0.47 -0.61 -1.29 0.00 0.00 177.43 176.26 3h1c h GLN 525 N 0.26 0.00 0.00 6.67 4.15 -1.22 -2.95 115.11 122.03 3h1c h GLN 525 Ca -0.04 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 3h1c h GLN 525 Cb 1.36 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.03 3h1c h GLN 525 CO 0.13 0.47 -0.51 0.00 -1.93 0.00 0.00 178.83 176.99 3h1c h ALA 526 N 1.53 1.04 -0.58 3.38 0.00 -1.49 -3.11 119.26 120.02 3h1c h ALA 526 Ca -0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3h1c h ALA 526 Cb 1.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3h1c h ALA 526 CO 0.06 0.64 -0.02 -0.22 0.00 0.00 0.00 179.25 179.72 3h1c h LYS 527 N 0.00 1.04 -0.66 0.00 3.64 -1.33 -0.73 116.57 118.53 3h1c h LYS 527 Ca -0.01 -0.34 -0.06 0.00 -1.27 0.00 0.00 60.65 58.97 3h1c h LYS 527 Cb 0.97 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 3h1c h LYS 527 CO 0.07 1.04 0.16 0.78 -2.27 0.00 0.00 179.45 179.23 3h1c h GLY 528 N 0.94 1.12 2.00 5.01 0.00 -1.54 -1.62 103.07 108.97 3h1c h GLY 528 Ca 0.16 -0.68 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 3h1c h GLY 528 CO 0.03 0.63 -0.69 0.00 0.00 0.00 0.00 176.54 176.52 3h1c h ALA 529 N 1.18 0.71 -0.26 3.60 0.00 -1.47 -2.97 119.26 120.06 3h1c h ALA 529 Ca 0.21 -0.63 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 3h1c h ALA 529 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3h1c h ALA 529 CO 0.00 0.86 -0.47 -0.09 0.00 0.00 0.00 179.25 179.55 3h1c h ARG 530 N 0.00 0.68 0.00 0.00 2.43 -0.85 -2.85 114.38 113.79 3h1c h ARG 530 Ca -0.01 -0.39 -0.07 0.00 -0.81 0.00 0.00 59.98 58.70 3h1c h ARG 530 Cb 1.34 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 3h1c h ARG 530 CO 0.09 1.00 -0.33 -0.07 -1.51 0.00 0.00 179.97 179.15 3h1c h LEU 531 N 0.54 0.00 -0.28 3.80 3.38 -1.32 -2.72 115.31 118.71 3h1c h LEU 531 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3h1c h LEU 531 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3h1c h LEU 531 CO 0.10 0.33 -0.35 -0.74 0.09 0.00 0.00 178.44 177.87 3h1c h HIS 532 N 0.00 0.89 -0.27 1.13 2.76 -1.35 -2.45 115.15 115.86 3h1c h HIS 532 Ca -0.00 -0.28 -0.11 0.00 -2.20 0.00 0.00 60.37 57.77 3h1c h HIS 532 Cb 0.78 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 3h1c h HIS 532 CO 0.00 1.05 -0.26 0.82 -1.30 0.00 0.00 177.93 178.24 3h1c h ILE 533 N 0.48 1.31 -0.13 6.26 2.04 -1.47 -3.06 117.51 122.93 3h1c h ILE 533 Ca 0.04 -1.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 3h1c h ILE 533 Cb 0.93 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 3h1c h ILE 533 CO 0.08 0.45 -0.08 -0.07 0.00 0.00 0.00 178.15 178.54 3h1c h LEU 534 N 0.39 0.19 -0.73 1.44 3.38 -1.53 -0.03 115.31 118.41 3h1c h LEU 534 Ca 0.04 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3h1c h LEU 534 Cb 0.82 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3h1c h LEU 534 CO 0.07 0.30 -0.13 1.23 0.09 0.00 0.00 178.44 179.99 3h1c h GLY 535 N 0.59 0.90 1.66 0.83 0.00 -1.39 -1.38 103.07 104.29 3h1c h GLY 535 Ca 0.04 -0.71 -0.22 0.00 0.00 0.00 0.00 47.33 46.45 3h1c h GLY 535 CO 0.01 0.65 -0.96 -2.08 0.00 0.00 0.00 176.54 174.16 3h1c h VAL 536 N 0.75 1.46 -0.16 4.60 2.07 -1.34 -3.20 116.25 120.43 3h1c h VAL 536 Ca 0.12 -2.63 -0.08 0.00 0.82 0.00 0.00 66.70 64.93 3h1c h VAL 536 Cb 0.63 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3h1c h VAL 536 CO 0.04 0.77 -0.27 0.24 0.02 0.00 0.00 177.57 178.38 3h1c h MET 537 N 0.15 0.29 0.00 1.57 2.07 -0.89 -2.79 114.93 115.34 3h1c h MET 537 Ca -0.07 -0.10 -0.02 0.00 -2.07 0.00 0.00 59.70 57.44 3h1c h MET 537 Cb 1.61 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 31.32 3h1c h MET 537 CO 0.16 0.55 -0.08 0.93 1.07 0.00 0.00 176.91 179.53 3h1c h GLU 538 N 0.26 0.00 -0.27 1.72 5.08 -1.29 -2.97 114.58 117.11 3h1c h GLU 538 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3h1c h GLU 538 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3h1c h GLU 538 CO 0.04 0.08 -0.26 1.96 -1.00 0.00 0.00 179.01 179.84 3h1c h GLN 539 N 0.00 0.53 0.00 2.33 4.20 -1.49 -3.35 115.11 117.34 3h1c h GLN 539 Ca -0.00 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3h1c h GLN 539 Cb 0.79 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3h1c h GLN 539 CO 0.01 0.75 -0.11 0.00 -0.67 0.00 0.00 178.83 178.81 3h1c h ALA 540 N 1.25 0.00 -3.75 3.87 0.00 -1.63 -3.48 119.26 115.53 3h1c h ALA 540 Ca 0.07 -0.12 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 3h1c h ALA 540 Cb 0.70 0.11 -0.29 0.00 0.00 0.00 0.00 17.79 18.30 3h1c h ALA 540 CO 0.05 0.11 -0.74 0.96 0.00 0.00 0.00 179.25 179.63 3h1c s ILE 541 N -1.58 0.19 0.00 0.00 -4.36 -1.13 -5.03 121.20 109.29 3h1c s ILE 541 Ca -0.03 -0.06 0.00 0.00 -0.26 0.00 0.00 60.65 60.30 3h1c s ILE 541 Cb 0.00 -0.19 0.00 0.00 1.25 0.00 0.00 42.46 43.53 3h1c s ILE 541 CO 0.05 0.07 0.00 -0.46 0.24 0.00 0.00 174.94 174.84 3h1c n ASN 542 N 3.25 3.96 -3.91 4.36 6.94 -1.26 -4.16 115.26 124.44 3h1c n ASN 542 Ca -0.16 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.24 3h1c n ASN 542 Cb 0.57 0.43 -0.15 0.00 -2.36 0.00 0.00 39.78 38.27 3h1c n ASN 542 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h1c s ALA 543 N -1.77 0.45 -2.00 -2.53 0.00 -1.26 -5.00 121.76 109.65 3h1c s ALA 543 Ca 0.00 -0.10 0.14 0.00 0.00 0.00 0.00 51.96 52.00 3h1c s ALA 543 Cb 0.00 -0.21 0.82 0.00 0.00 0.00 0.00 23.12 23.73 3h1c s ALA 543 CO 0.00 0.05 1.24 -2.30 0.00 0.00 0.00 175.76 174.75