#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwe s ASN 3 N 0.00 1.59 -0.21 4.04 0.01 -1.26 -5.15 114.94 113.96 1fwe s ASN 3 Ca 0.00 -1.10 -0.17 0.00 -0.71 0.00 0.00 52.86 50.88 1fwe s ASN 3 Cb 0.00 0.04 0.06 0.00 0.41 0.00 0.00 41.25 41.75 1fwe s ASN 3 CO 0.00 -0.45 0.54 -0.51 -1.51 0.00 0.00 177.10 175.17 1fwe s ILE 4 N -3.46 -0.00 0.58 0.60 2.07 -1.26 -5.16 121.20 114.57 1fwe s ILE 4 Ca 0.21 0.01 -0.18 0.00 -1.41 0.00 0.00 60.65 59.28 1fwe s ILE 4 Cb 0.04 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 1fwe s ILE 4 CO 0.03 0.01 1.10 -0.94 -1.91 0.00 0.00 174.94 173.23 1fwe s SER 5 N 0.58 5.61 0.33 4.50 1.04 -1.26 -4.88 113.70 119.63 1fwe s SER 5 Ca -0.02 2.05 0.02 0.00 0.48 0.00 0.00 55.95 58.48 1fwe s SER 5 Cb -0.05 -2.56 0.61 0.00 0.10 0.00 0.00 66.02 64.12 1fwe s SER 5 CO -0.03 -1.29 1.96 0.03 0.98 0.00 0.00 173.24 174.89 1fwe h ARG 6 N 0.79 0.89 -0.11 4.02 3.08 -2.01 -1.26 114.38 119.77 1fwe h ARG 6 Ca -0.49 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.49 1fwe h ARG 6 Cb 1.25 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1fwe h ARG 6 CO 0.56 0.59 0.00 0.37 -1.07 0.00 0.00 179.97 180.42 1fwe h GLN 7 N 0.92 0.20 -0.64 0.04 5.75 -2.00 -1.14 115.11 118.24 1fwe h GLN 7 Ca 0.31 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.69 1fwe h GLN 7 Cb 0.09 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 1fwe h GLN 7 CO -0.10 0.45 0.18 0.00 -2.65 0.00 0.00 178.83 176.72 1fwe h ALA 8 N 0.75 1.11 -0.29 3.38 0.00 -1.92 -1.77 119.26 120.51 1fwe h ALA 8 Ca 0.03 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1fwe h ALA 8 Cb 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1fwe h ALA 8 CO 0.01 0.61 0.17 -0.92 0.00 0.00 0.00 179.25 179.12 1fwe h TYR 9 N 0.96 0.33 -1.00 0.00 3.20 -1.05 -1.33 116.97 118.07 1fwe h TYR 9 Ca 0.21 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.10 1fwe h TYR 9 Cb 0.30 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1fwe h TYR 9 CO 0.02 0.20 0.65 0.00 -1.64 0.00 0.00 178.16 177.39 1fwe h ALA 10 N 1.12 1.26 -0.45 1.82 0.00 -0.82 0.15 119.26 122.35 1fwe h ALA 10 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1fwe h ALA 10 Cb -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1fwe h ALA 10 CO -0.05 0.66 0.06 -0.44 0.00 0.00 0.00 179.25 179.49 1fwe h ASP 11 N 1.35 0.65 0.17 0.00 3.45 -0.85 0.29 116.42 121.48 1fwe h ASP 11 Ca 0.36 -0.12 -0.34 0.00 0.43 0.00 0.00 57.03 57.36 1fwe h ASP 11 Cb -0.14 -0.17 0.01 0.00 -0.56 0.00 0.00 39.33 38.46 1fwe h ASP 11 CO -0.08 0.68 -1.72 0.24 -1.57 0.00 0.00 179.24 176.78 1fwe h MET 12 N 0.66 0.37 0.00 3.56 2.86 -0.48 -3.41 114.93 118.50 1fwe h MET 12 Ca 0.14 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1fwe h MET 12 Cb 0.32 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1fwe h MET 12 CO 0.01 1.30 0.00 1.19 1.06 0.00 0.00 176.91 180.47 1fwe n PHE 13 N -3.63 0.00 0.00 -0.22 3.01 0.44 -4.97 117.46 112.09 1fwe n PHE 13 Ca -0.25 -0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.00 1fwe n PHE 13 Cb 1.05 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 1fwe n PHE 13 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fwe n GLY 14 N -0.20 -0.14 3.76 1.37 0.00 0.10 -4.37 105.19 105.71 1fwe n GLY 14 Ca 0.00 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1fwe n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwe s PRO 15 N -1.74 2.63 0.25 1.61 0.04 -1.26 -3.95 135.00 132.59 1fwe s PRO 15 Ca 0.00 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1fwe s PRO 15 Cb 0.00 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 1fwe s PRO 15 CO 0.00 -1.40 0.02 -2.37 0.04 0.00 0.00 177.00 173.29 1fwe n THR 16 N -2.48 0.00 -1.70 1.26 5.66 -1.26 -4.94 114.28 110.82 1fwe n THR 16 Ca 0.11 -1.27 -0.59 0.00 -3.05 0.00 0.00 64.05 59.25 1fwe n THR 16 Cb 0.51 0.31 -0.08 0.00 -1.55 0.00 0.00 70.33 69.53 1fwe n THR 16 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1fwe n VAL 17 N -0.62 0.20 0.00 1.08 0.31 -1.26 -1.20 118.33 116.85 1fwe n VAL 17 Ca -0.09 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1fwe n VAL 17 Cb 0.34 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1fwe n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fwe n GLY 18 N 3.87 2.93 3.79 2.92 0.00 -0.83 -4.97 105.19 112.89 1fwe n GLY 18 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1fwe n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fwe s ASP 19 N -1.17 6.84 0.10 1.61 1.01 -0.34 -4.80 116.67 119.92 1fwe s ASP 19 Ca 0.00 1.91 0.08 0.00 0.71 0.00 0.00 52.55 55.25 1fwe s ASP 19 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1fwe s ASP 19 CO 0.00 -0.43 -0.14 -0.54 0.21 0.00 0.00 175.17 174.27 1fwe s LYS 20 N -2.67 1.99 -0.05 8.23 1.02 -1.26 -1.52 119.74 125.48 1fwe s LYS 20 Ca 0.59 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 55.51 1fwe s LYS 20 Cb -0.18 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1fwe s LYS 20 CO 0.23 0.50 -0.04 0.08 -0.92 0.00 0.00 175.35 175.20 1fwe s VAL 21 N -1.14 0.52 0.16 3.17 1.01 0.03 -4.96 120.40 119.19 1fwe s VAL 21 Ca 0.19 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1fwe s VAL 21 Cb -0.11 -0.55 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 1fwe s VAL 21 CO 0.11 0.22 1.07 -0.60 0.00 0.00 0.00 175.10 175.91 1fwe s ARG 22 N 0.98 4.62 -0.57 2.72 3.52 -1.26 -1.60 118.95 127.36 1fwe s ARG 22 Ca -0.10 1.66 -0.25 0.00 -0.13 0.00 0.00 55.73 56.91 1fwe s ARG 22 Cb -0.14 -3.30 0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1fwe s ARG 22 CO -0.00 0.10 1.02 -0.51 -0.81 0.00 0.00 175.30 175.10 1fwe s LEU 23 N -0.29 3.90 0.00 -0.88 1.43 -0.15 -4.76 118.68 117.94 1fwe s LEU 23 Ca 0.49 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1fwe s LEU 23 Cb -0.28 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.03 1fwe s LEU 23 CO 0.34 -1.32 0.00 0.00 0.23 0.00 0.00 176.35 175.59 1fwe n ALA 24 N 7.80 0.00 -1.20 4.21 0.00 -0.04 -1.60 120.51 129.67 1fwe n ALA 24 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 1fwe n ALA 24 Cb 0.48 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.17 1fwe n ALA 24 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1fwe n ASP 25 N 2.37 3.68 -4.04 0.00 5.75 -1.26 -4.85 116.55 118.20 1fwe n ASP 25 Ca 0.00 -3.44 -0.21 0.00 -0.01 0.00 0.00 54.79 51.13 1fwe n ASP 25 Cb 0.00 -0.69 0.12 0.00 -1.03 0.00 0.00 41.12 39.52 1fwe n ASP 25 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1fwe n THR 26 N -0.73 0.00 0.82 2.12 -2.24 -0.63 -4.83 114.28 108.79 1fwe n THR 26 Ca 0.38 -1.22 0.12 0.00 -2.27 0.00 0.00 64.05 61.06 1fwe n THR 26 Cb 1.23 -1.12 0.26 0.00 -2.10 0.00 0.00 70.33 68.60 1fwe n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fwe n GLU 27 N -2.79 2.19 -2.73 -0.78 -0.58 -1.26 -4.65 120.64 110.03 1fwe n GLU 27 Ca 0.14 -1.77 -0.42 0.00 -0.42 0.00 0.00 57.16 54.69 1fwe n GLU 27 Cb 0.50 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.87 1fwe n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1fwe s LEU 28 N -1.67 4.27 -0.05 -4.62 1.43 -1.26 -4.98 118.68 111.80 1fwe s LEU 28 Ca 0.35 1.51 0.06 0.00 -1.03 0.00 0.00 54.13 55.01 1fwe s LEU 28 Cb 0.21 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1fwe s LEU 28 CO 0.30 -0.38 -0.23 0.26 0.23 0.00 0.00 176.35 176.54 1fwe s TRP 29 N 1.70 2.48 0.17 0.29 0.52 -1.26 -0.97 118.94 121.86 1fwe s TRP 29 Ca 0.48 -0.53 0.08 0.00 0.02 0.00 0.00 56.10 56.14 1fwe s TRP 29 Cb -0.19 -1.59 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 1fwe s TRP 29 CO 0.20 -0.09 -0.06 0.96 0.02 0.00 0.00 176.95 177.97 1fwe s ILE 30 N -0.37 3.40 -0.05 2.03 -4.36 -0.63 -1.11 121.20 120.12 1fwe s ILE 30 Ca 0.03 -1.51 0.03 0.00 -0.26 0.00 0.00 60.65 58.93 1fwe s ILE 30 Cb -0.12 -2.68 0.01 0.00 1.25 0.00 0.00 42.46 40.92 1fwe s ILE 30 CO 0.02 -0.07 -0.14 -0.70 0.24 0.00 0.00 174.94 174.29 1fwe s GLU 31 N -2.76 1.64 -0.03 0.37 2.12 -1.26 -0.79 118.70 117.99 1fwe s GLU 31 Ca 0.25 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.81 1fwe s GLU 31 Cb -0.09 -1.40 -0.07 0.00 0.26 0.00 0.00 34.13 32.83 1fwe s GLU 31 CO 0.16 0.12 1.84 0.08 -0.54 0.00 0.00 175.26 176.92 1fwe s VAL 32 N 0.37 3.27 -0.04 3.70 1.01 -0.58 -4.87 120.40 123.26 1fwe s VAL 32 Ca -0.09 0.33 0.12 0.00 0.00 0.00 0.00 61.98 62.33 1fwe s VAL 32 Cb -0.13 -3.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.92 1fwe s VAL 32 CO 0.03 -0.04 1.16 -0.33 0.00 0.00 0.00 175.10 175.92 1fwe h GLU 33 N 10.45 0.00 -2.96 2.72 5.08 -1.46 -2.21 114.58 126.21 1fwe h GLU 33 Ca -0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1fwe h GLU 33 Cb 1.21 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.35 1fwe h GLU 33 CO 0.95 0.63 0.23 0.34 -1.00 0.00 0.00 179.01 180.16 1fwe s ASP 34 N -6.37 -0.53 -0.06 1.42 -1.08 -1.25 -4.93 116.67 103.88 1fwe s ASP 34 Ca 0.00 -0.07 -0.02 0.00 -0.52 0.00 0.00 52.55 51.95 1fwe s ASP 34 Cb 0.09 0.60 0.03 0.00 -1.46 0.00 0.00 42.92 42.18 1fwe s ASP 34 CO 0.79 -0.99 0.04 -0.62 0.52 0.00 0.00 175.17 174.91 1fwe s ASP 35 N -2.76 1.36 -0.01 -0.34 -1.08 -1.26 -0.81 116.67 111.77 1fwe s ASP 35 Ca 0.02 -0.01 0.07 0.00 -0.52 0.00 0.00 52.55 52.11 1fwe s ASP 35 Cb -0.02 -0.26 0.21 0.00 -1.46 0.00 0.00 42.92 41.40 1fwe s ASP 35 CO -0.11 -0.23 1.13 0.18 0.52 0.00 0.00 175.17 176.66 1fwe n LEU 36 N 5.24 1.45 -4.98 -1.34 4.32 -0.37 -4.93 117.00 116.40 1fwe n LEU 36 Ca -0.05 -0.73 -0.23 0.00 -0.02 0.00 0.00 56.01 54.98 1fwe n LEU 36 Cb 0.50 -0.22 0.09 0.00 -1.62 0.00 0.00 43.42 42.16 1fwe n LEU 36 CO 0.08 0.32 0.51 0.28 -1.22 0.00 0.00 177.39 177.36 1fwe s THR 37 N -1.67 2.29 -0.26 -5.08 -1.32 -1.26 -4.39 115.64 103.96 1fwe s THR 37 Ca 0.16 -0.59 0.03 0.00 -1.21 0.00 0.00 61.69 60.08 1fwe s THR 37 Cb 0.09 -2.70 0.06 0.00 -1.51 0.00 0.00 72.50 68.44 1fwe s THR 37 CO 0.10 0.00 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.50 1fwe s THR 38 N -3.05 2.17 -0.20 5.08 2.01 -1.26 -5.06 115.64 115.32 1fwe s THR 38 Ca 0.63 -1.60 -0.37 0.00 0.31 0.00 0.00 61.69 60.66 1fwe s THR 38 Cb -0.07 -2.26 -0.13 0.00 0.01 0.00 0.00 72.50 70.05 1fwe s THR 38 CO 0.43 -0.00 1.88 -1.22 -0.69 0.00 0.00 174.62 175.02 1fwe n TYR 39 N 4.44 2.13 0.00 4.92 0.53 -1.26 -0.42 117.16 127.50 1fwe n TYR 39 Ca -0.14 0.23 0.00 0.00 -1.02 0.00 0.00 57.90 56.97 1fwe n TYR 39 Cb 0.42 -2.57 0.00 0.00 -1.03 0.00 0.00 39.34 36.16 1fwe n TYR 39 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1fwe n GLY 40 N 4.65 2.24 1.12 2.72 0.00 -1.26 -4.94 105.19 109.72 1fwe n GLY 40 Ca 0.27 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1fwe n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fwe n GLU 41 N -0.47 3.11 -1.75 1.61 -0.58 0.44 -5.01 120.64 117.99 1fwe n GLU 41 Ca 0.00 -2.54 -0.39 0.00 -0.42 0.00 0.00 57.16 53.81 1fwe n GLU 41 Cb 0.00 -1.60 0.04 0.00 -0.57 0.00 0.00 31.44 29.31 1fwe n GLU 41 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1fwe s GLU 42 N -1.48 3.26 -0.06 3.49 8.01 -1.25 -4.88 118.70 125.80 1fwe s GLU 42 Ca 0.40 2.32 -0.13 0.00 0.01 0.00 0.00 54.97 57.57 1fwe s GLU 42 Cb 0.24 -2.37 -0.05 0.00 -4.31 0.00 0.00 34.13 27.64 1fwe s GLU 42 CO 0.22 -1.12 0.33 0.14 0.01 0.00 0.00 175.26 174.83 1fwe s VAL 43 N -1.26 5.19 -0.01 2.63 -7.23 -1.26 -4.92 120.40 113.54 1fwe s VAL 43 Ca 0.69 0.64 -0.03 0.00 -1.81 0.00 0.00 61.98 61.47 1fwe s VAL 43 Cb -0.42 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 32.89 1fwe s VAL 43 CO 0.51 0.55 0.07 -0.75 -0.31 0.00 0.00 175.10 175.17 1fwe s LYS 44 N -0.78 0.22 0.01 4.82 2.20 -1.26 -4.73 119.74 120.22 1fwe s LYS 44 Ca 0.21 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1fwe s LYS 44 Cb -0.15 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 1fwe s LYS 44 CO 0.10 -0.04 0.06 0.12 -0.36 0.00 0.00 175.35 175.23 1fwe s PHE 45 N -0.56 3.22 0.00 4.03 5.36 -1.26 -1.96 117.98 126.81 1fwe s PHE 45 Ca -0.06 0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.06 1fwe s PHE 45 Cb -0.04 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.94 1fwe s PHE 45 CO 0.00 0.52 0.00 0.41 -1.46 0.00 0.00 175.22 174.70 1fwe n GLY 46 N 1.12 1.29 3.65 13.12 0.00 -1.26 -4.89 105.19 118.21 1fwe n GLY 46 Ca -0.13 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1fwe n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fwe s GLY 47 N 0.00 1.38 0.00 -0.02 0.00 -1.26 -1.81 107.32 105.61 1fwe s GLY 47 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.70 1fwe s GLY 47 CO 0.00 3.24 0.00 0.61 0.00 0.00 0.00 173.10 176.95 1fwe n GLY 48 N 4.47 0.69 0.00 0.20 0.00 -1.26 -5.03 105.19 104.27 1fwe n GLY 48 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1fwe n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fwe n LYS 49 N -2.61 0.93 0.04 1.61 4.76 -0.75 -5.03 118.16 117.11 1fwe n LYS 49 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 1fwe n LYS 49 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 1fwe n LYS 49 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1fwe h VAL 50 N -0.33 1.32 -0.34 -0.18 2.07 -1.69 -3.41 116.25 113.69 1fwe h VAL 50 Ca 0.00 -2.26 -0.65 0.00 0.82 0.00 0.00 66.70 64.61 1fwe h VAL 50 Cb 0.00 2.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 1fwe h VAL 50 CO 0.00 0.69 2.49 -0.38 0.02 0.00 0.00 177.57 180.39 1fwe n ILE 51 N -3.93 3.23 -4.00 4.57 5.41 -0.84 0.02 119.36 123.83 1fwe n ILE 51 Ca -0.11 -3.08 -0.11 0.00 1.00 0.00 0.00 62.75 60.45 1fwe n ILE 51 Cb 0.86 -2.44 -0.12 0.00 -0.71 0.00 0.00 39.64 37.24 1fwe n ILE 51 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1fwe s ARG 52 N 4.14 0.34 0.05 0.38 0.52 -1.26 -4.78 118.95 118.34 1fwe s ARG 52 Ca 0.53 -0.57 -0.38 0.00 -0.52 0.00 0.00 55.73 54.79 1fwe s ARG 52 Cb 0.09 -0.02 -0.19 0.00 0.52 0.00 0.00 34.95 35.35 1fwe s ARG 52 CO 0.02 -0.01 1.07 -3.47 0.02 0.00 0.00 175.30 172.93 1fwe n ASP 53 N 1.76 0.26 0.00 0.23 2.03 -1.26 -0.91 116.55 118.66 1fwe n ASP 53 Ca -0.22 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1fwe n ASP 53 Cb 0.56 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1fwe n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fwe n GLY 54 N 1.77 2.98 0.00 0.27 0.00 -0.52 -4.84 105.19 104.85 1fwe n GLY 54 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1fwe n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fwe n MET 55 N -1.87 0.00 0.11 1.61 2.81 -0.09 -4.84 117.12 114.85 1fwe n MET 55 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 1fwe n MET 55 Cb 0.00 0.00 0.46 0.00 -0.71 0.00 0.00 33.22 32.97 1fwe n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fwe n GLY 56 N 5.00 -1.32 3.59 3.03 0.00 0.10 -4.50 105.19 111.09 1fwe n GLY 56 Ca 0.00 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1fwe n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fwe s GLN 57 N -3.24 3.34 0.00 1.61 0.74 -1.04 -2.86 119.66 118.21 1fwe s GLN 57 Ca 0.06 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.00 1fwe s GLN 57 Cb 0.10 -2.86 0.00 0.00 1.10 0.00 0.00 33.01 31.35 1fwe s GLN 57 CO 0.41 0.46 0.00 0.41 -0.55 0.00 0.00 175.29 176.02 1fwe n GLY 58 N 2.88 2.06 0.90 2.59 0.00 0.55 -1.43 105.19 112.74 1fwe n GLY 58 Ca -0.18 -2.10 0.10 0.00 0.00 0.00 0.00 46.02 43.84 1fwe n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fwe n GLN 59 N -0.61 2.11 -1.54 1.61 1.13 -1.26 -4.30 117.38 114.52 1fwe n GLN 59 Ca 0.00 -1.96 -0.33 0.00 -1.94 0.00 0.00 57.00 52.77 1fwe n GLN 59 Cb 0.00 -1.41 0.07 0.00 0.11 0.00 0.00 30.24 29.01 1fwe n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fwe s MET 60 N -1.36 2.47 0.81 -1.09 0.23 -1.26 -5.00 119.30 114.09 1fwe s MET 60 Ca 0.29 1.43 -0.12 0.00 -1.03 0.00 0.00 55.69 56.27 1fwe s MET 60 Cb 0.18 -1.90 0.08 0.00 -1.53 0.00 0.00 34.83 31.65 1fwe s MET 60 CO 0.25 -1.52 1.13 -0.51 -2.03 0.00 0.00 175.02 172.34 1fwe s LEU 61 N -5.21 2.50 0.34 0.18 1.43 -1.26 -4.47 118.68 112.19 1fwe s LEU 61 Ca 0.67 1.04 0.11 0.00 -1.03 0.00 0.00 54.13 54.92 1fwe s LEU 61 Cb -0.22 -3.60 0.90 0.00 0.03 0.00 0.00 46.19 43.30 1fwe s LEU 61 CO 0.46 -1.94 1.78 0.00 0.23 0.00 0.00 176.35 176.87 1fwe h ALA 62 N -1.07 1.90 0.00 4.21 0.00 -1.96 0.89 119.26 123.22 1fwe h ALA 62 Ca -0.47 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1fwe h ALA 62 Cb 1.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1fwe h ALA 62 CO 0.63 -0.28 -0.11 0.00 0.00 0.00 0.00 179.25 179.48 1fwe h ALA 63 N 1.65 1.32 -0.60 0.00 0.00 -2.00 -3.01 119.26 116.62 1fwe h ALA 63 Ca 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1fwe h ALA 63 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1fwe h ALA 63 CO -0.35 0.14 0.00 -0.25 0.00 0.00 0.00 179.25 178.79 1fwe n ASP 64 N -3.69 4.27 -4.00 0.00 8.00 0.30 -4.96 116.55 116.47 1fwe n ASP 64 Ca -0.02 -2.32 -0.09 0.00 0.71 0.00 0.00 54.79 53.08 1fwe n ASP 64 Cb 0.22 -0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 40.73 1fwe n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fwe s VAL 66 N -3.95 4.63 -0.10 0.00 -7.23 -0.96 -4.89 120.40 107.90 1fwe s VAL 66 Ca 0.14 0.88 0.15 0.00 -1.81 0.00 0.00 61.98 61.33 1fwe s VAL 66 Cb 0.06 -3.81 -0.08 0.00 0.56 0.00 0.00 36.38 33.10 1fwe s VAL 66 CO -0.04 -1.09 1.11 0.44 -0.31 0.00 0.00 175.10 175.20 1fwe h ASP 67 N -0.27 0.00 -4.31 4.85 3.32 -1.42 -3.33 116.42 115.26 1fwe h ASP 67 Ca -0.44 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.45 1fwe h ASP 67 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 1fwe h ASP 67 CO 0.61 0.63 -0.48 -0.22 -1.72 0.00 0.00 179.24 178.07 1fwe s LEU 68 N -6.18 1.36 -0.04 1.55 2.96 -0.83 -0.66 118.68 116.84 1fwe s LEU 68 Ca 0.00 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1fwe s LEU 68 Cb 0.08 0.69 0.02 0.00 0.50 0.00 0.00 46.19 47.49 1fwe s LEU 68 CO 0.79 -0.20 -0.02 0.54 -1.32 0.00 0.00 176.35 176.14 1fwe s VAL 69 N -0.54 0.34 -0.38 1.68 0.11 -0.78 -1.04 120.40 119.78 1fwe s VAL 69 Ca -0.06 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.87 1fwe s VAL 69 Cb -0.04 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 1fwe s VAL 69 CO 0.01 0.19 0.26 -0.76 -3.33 0.00 0.00 175.10 171.47 1fwe s LEU 70 N 1.10 4.83 0.12 2.54 1.02 0.18 -1.73 118.68 126.74 1fwe s LEU 70 Ca -0.09 -0.79 -0.22 0.00 0.02 0.00 0.00 54.13 53.05 1fwe s LEU 70 Cb -0.14 -2.11 -0.07 0.00 0.02 0.00 0.00 46.19 43.89 1fwe s LEU 70 CO -0.01 -0.37 0.67 0.42 0.02 0.00 0.00 176.35 177.07 1fwe s THR 71 N 1.66 4.56 -1.43 5.49 -4.23 -0.73 -1.02 115.64 119.94 1fwe s THR 71 Ca 0.05 1.46 -0.06 0.00 -1.18 0.00 0.00 61.69 61.95 1fwe s THR 71 Cb -0.19 -4.02 0.04 0.00 1.34 0.00 0.00 72.50 69.68 1fwe s THR 71 CO 0.09 0.54 0.78 0.59 -0.54 0.00 0.00 174.62 176.08 1fwe n ASN 72 N 1.65 -2.56 -4.82 3.99 3.02 -1.25 -1.04 115.26 114.26 1fwe n ASN 72 Ca -0.08 -0.84 -0.35 0.00 -0.03 0.00 0.00 54.58 53.28 1fwe n ASN 72 Cb 0.50 -3.80 -0.06 0.00 -0.61 0.00 0.00 39.78 35.81 1fwe n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fwe s ALA 73 N -3.55 3.36 -0.48 5.41 0.00 -0.13 -3.21 121.76 123.17 1fwe s ALA 73 Ca 0.29 0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 1fwe s ALA 73 Cb -0.15 -2.85 0.11 0.00 0.00 0.00 0.00 23.12 20.24 1fwe s ALA 73 CO 0.83 0.31 0.36 -1.17 0.00 0.00 0.00 175.76 176.10 1fwe s LEU 74 N -2.27 5.71 0.14 0.00 2.96 -0.91 -0.87 118.68 123.44 1fwe s LEU 74 Ca 0.47 -1.81 -0.29 0.00 -0.22 0.00 0.00 54.13 52.27 1fwe s LEU 74 Cb -0.15 -2.05 -0.07 0.00 0.50 0.00 0.00 46.19 44.42 1fwe s LEU 74 CO 0.20 -0.70 0.94 -0.63 -1.32 0.00 0.00 176.35 174.83 1fwe s ILE 75 N 1.42 4.42 -0.26 6.68 1.01 0.82 -1.16 121.20 134.14 1fwe s ILE 75 Ca 0.05 2.03 0.01 0.00 0.00 0.00 0.00 60.65 62.74 1fwe s ILE 75 Cb -0.26 -4.30 0.07 0.00 0.01 0.00 0.00 42.46 37.97 1fwe s ILE 75 CO 0.01 0.37 -0.01 -0.69 0.00 0.00 0.00 174.94 174.62 1fwe s VAL 76 N -0.31 1.42 0.19 2.92 1.01 -0.97 -1.70 120.40 122.96 1fwe s VAL 76 Ca 0.45 -1.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1fwe s VAL 76 Cb -0.24 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1fwe s VAL 76 CO 0.30 -0.26 0.15 -0.62 0.00 0.00 0.00 175.10 174.67 1fwe s ASP 77 N 1.42 0.15 0.63 3.32 2.15 -0.52 -4.58 116.67 119.24 1fwe s ASP 77 Ca -0.01 -1.29 0.33 0.00 0.43 0.00 0.00 52.55 52.00 1fwe s ASP 77 Cb -0.18 0.38 1.82 0.00 -0.30 0.00 0.00 42.92 44.65 1fwe s ASP 77 CO -0.10 -0.85 2.12 1.12 -0.17 0.00 0.00 175.17 177.29 1fwe h HIS 78 N 2.63 0.00 0.00 -5.34 2.07 -1.94 -1.96 115.15 110.61 1fwe h HIS 78 Ca -0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 1fwe h HIS 78 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 1fwe h HIS 78 CO 0.37 0.00 -0.91 -2.67 -3.07 0.00 0.00 177.93 171.65 1fwe n TRP 79 N -3.42 0.09 0.00 6.12 4.27 -1.26 -4.93 117.44 118.31 1fwe n TRP 79 Ca -0.00 0.03 0.00 0.00 -3.89 0.00 0.00 57.50 53.63 1fwe n TRP 79 Cb 0.29 -0.24 0.00 0.00 -1.36 0.00 0.00 31.31 30.00 1fwe n TRP 79 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1fwe n GLY 80 N 1.45 1.46 2.87 -1.67 0.00 -0.74 -5.05 105.19 103.50 1fwe n GLY 80 Ca 0.03 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1fwe n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fwe s ILE 81 N -2.00 2.10 0.16 -0.61 1.01 -1.25 -1.43 121.20 119.17 1fwe s ILE 81 Ca 0.00 -2.93 0.07 0.00 0.00 0.00 0.00 60.65 57.79 1fwe s ILE 81 Cb 0.00 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1fwe s ILE 81 CO 0.00 -0.81 -0.15 0.68 0.00 0.00 0.00 174.94 174.66 1fwe s VAL 82 N 0.07 1.52 -0.21 2.92 -7.23 -0.69 -1.07 120.40 115.71 1fwe s VAL 82 Ca 0.17 -1.93 -0.14 0.00 -1.81 0.00 0.00 61.98 58.27 1fwe s VAL 82 Cb -0.25 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1fwe s VAL 82 CO -0.01 -0.48 0.30 -0.75 -0.31 0.00 0.00 175.10 173.85 1fwe s LYS 83 N -3.08 4.15 0.04 4.82 2.47 0.01 -0.12 119.74 128.03 1fwe s LYS 83 Ca 0.15 0.02 -0.28 0.00 -1.56 0.00 0.00 55.97 54.30 1fwe s LYS 83 Cb -0.03 -3.52 0.10 0.00 -1.46 0.00 0.00 37.83 32.91 1fwe s LYS 83 CO 0.04 0.03 1.08 0.00 0.16 0.00 0.00 175.35 176.67 1fwe s ALA 84 N 1.12 -1.91 0.15 3.13 0.00 -0.05 -1.23 121.76 122.96 1fwe s ALA 84 Ca 0.15 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 1fwe s ALA 84 Cb -0.14 0.44 -0.07 0.00 0.00 0.00 0.00 23.12 23.35 1fwe s ALA 84 CO 0.06 -0.95 0.51 -0.51 0.00 0.00 0.00 175.76 174.87 1fwe s ASP 85 N -2.81 6.72 -0.10 0.00 1.01 -0.73 -0.95 116.67 119.82 1fwe s ASP 85 Ca 0.11 0.96 0.02 0.00 0.71 0.00 0.00 52.55 54.35 1fwe s ASP 85 Cb 0.01 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1fwe s ASP 85 CO -0.02 0.08 -0.18 -0.63 0.21 0.00 0.00 175.17 174.63 1fwe s ILE 86 N -1.53 2.66 -0.13 0.77 1.01 -0.19 -1.46 121.20 122.33 1fwe s ILE 86 Ca 0.39 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1fwe s ILE 86 Cb -0.14 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1fwe s ILE 86 CO 0.19 0.55 -0.06 -0.83 0.00 0.00 0.00 174.94 174.79 1fwe s GLY 87 N 0.12 1.68 -0.11 6.18 0.00 0.06 -0.64 107.32 114.61 1fwe s GLY 87 Ca -0.09 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.82 1fwe s GLY 87 CO 0.05 -0.21 -0.22 0.14 0.00 0.00 0.00 173.10 172.87 1fwe s VAL 88 N 0.13 1.96 -0.03 1.40 1.01 -0.21 0.02 120.40 124.68 1fwe s VAL 88 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1fwe s VAL 88 Cb -0.14 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1fwe s VAL 88 CO 0.03 0.54 0.02 -0.75 0.00 0.00 0.00 175.10 174.94 1fwe s LYS 89 N 0.53 0.12 -1.45 2.72 2.20 -0.05 -1.33 119.74 122.48 1fwe s LYS 89 Ca -0.15 0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 55.60 1fwe s LYS 89 Cb -0.17 -0.38 0.00 0.00 -1.51 0.00 0.00 37.83 35.77 1fwe s LYS 89 CO 0.05 -0.17 0.18 -0.25 -0.36 0.00 0.00 175.35 174.80 1fwe n ASP 90 N 4.26 -5.26 0.00 1.43 8.00 -1.26 -2.17 116.55 121.54 1fwe n ASP 90 Ca -0.25 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1fwe n ASP 90 Cb 0.50 -4.26 0.00 0.00 -0.02 0.00 0.00 41.12 37.34 1fwe n ASP 90 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fwe n GLY 91 N -1.15 0.83 3.33 0.44 0.00 -1.26 -5.02 105.19 102.36 1fwe n GLY 91 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 1fwe n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwe s ARG 92 N -0.02 1.29 -0.31 1.61 0.52 -0.92 -0.96 118.95 120.16 1fwe s ARG 92 Ca 0.00 -1.57 -0.29 0.00 -0.52 0.00 0.00 55.73 53.36 1fwe s ARG 92 Cb 0.00 -1.06 -0.02 0.00 0.52 0.00 0.00 34.95 34.39 1fwe s ARG 92 CO 0.00 0.17 1.73 0.42 0.02 0.00 0.00 175.30 177.64 1fwe s ILE 93 N -3.00 3.55 -0.14 1.52 1.01 -0.09 -0.88 121.20 123.18 1fwe s ILE 93 Ca 0.22 0.58 -0.29 0.00 0.00 0.00 0.00 60.65 61.16 1fwe s ILE 93 Cb -0.00 -3.71 -0.26 0.00 0.01 0.00 0.00 42.46 38.50 1fwe s ILE 93 CO 0.06 -0.42 0.76 0.15 0.00 0.00 0.00 174.94 175.48 1fwe h PHE 94 N 12.24 0.00 -2.44 3.97 3.57 -0.70 0.18 116.94 133.77 1fwe h PHE 94 Ca -0.33 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.29 1fwe h PHE 94 Cb 1.16 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.79 1fwe h PHE 94 CO 0.95 0.99 0.44 0.00 -2.23 0.00 0.00 178.31 178.45 1fwe s ALA 95 N -2.23 -1.68 -0.17 2.41 0.00 -1.02 -4.76 121.76 114.31 1fwe s ALA 95 Ca -0.19 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1fwe s ALA 95 Cb -0.03 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.73 1fwe s ALA 95 CO 0.68 -0.87 -0.04 0.42 0.00 0.00 0.00 175.76 175.95 1fwe s ILE 96 N -3.32 1.05 0.00 0.00 1.01 -1.26 -0.76 121.20 117.93 1fwe s ILE 96 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1fwe s ILE 96 Cb -0.02 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.19 1fwe s ILE 96 CO -0.04 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1fwe n GLY 97 N 4.89 -0.41 3.12 6.18 0.00 -0.53 -4.98 105.19 113.45 1fwe n GLY 97 Ca -0.11 0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 1fwe n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fwe s LYS 98 N 0.00 2.55 0.37 1.61 2.36 -1.26 -1.77 119.74 123.60 1fwe s LYS 98 Ca 0.00 -1.14 -0.08 0.00 -2.55 0.00 0.00 55.97 52.19 1fwe s LYS 98 Cb 0.00 -2.86 -0.06 0.00 -1.05 0.00 0.00 37.83 33.86 1fwe s LYS 98 CO 0.00 -0.46 0.69 0.00 1.55 0.00 0.00 175.35 177.14 1fwe s ALA 99 N 1.20 3.45 0.00 3.13 0.00 -1.26 0.12 121.76 128.41 1fwe s ALA 99 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1fwe s ALA 99 Cb -0.18 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1fwe s ALA 99 CO -0.06 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1fwe n GLY 100 N -1.21 0.10 3.15 0.00 0.00 -0.26 -4.67 105.19 102.30 1fwe n GLY 100 Ca 0.01 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 1fwe n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fwe s ASN 101 N -4.00 3.82 0.66 1.61 2.47 -1.13 -1.78 114.94 116.58 1fwe s ASN 101 Ca 0.00 -0.82 0.42 0.00 0.42 0.00 0.00 52.86 52.88 1fwe s ASN 101 Cb 0.00 -1.57 2.29 0.00 -1.45 0.00 0.00 41.25 40.52 1fwe s ASN 101 CO 0.00 -0.07 2.33 -0.65 -3.72 0.00 0.00 177.10 174.99 1fwe h PRO 102 N 7.95 0.00 -0.44 0.43 0.11 -1.92 0.05 132.00 138.18 1fwe h PRO 102 Ca -0.37 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 1fwe h PRO 102 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1fwe h PRO 102 CO 0.59 0.00 -0.11 -0.44 -0.21 0.00 0.00 178.00 177.83 1fwe h ASP 103 N 0.00 0.78 0.00 -2.05 5.19 -1.94 -3.36 116.42 115.03 1fwe h ASP 103 Ca 0.00 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1fwe h ASP 103 Cb 0.05 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.35 1fwe h ASP 103 CO -0.00 0.91 0.00 2.30 -3.12 0.00 0.00 179.24 179.33 1fwe n ILE 104 N -4.16 0.00 -4.30 0.35 -5.35 -1.11 -5.07 119.36 99.72 1fwe n ILE 104 Ca 0.01 -0.29 -0.28 0.00 -0.27 0.00 0.00 62.75 61.92 1fwe n ILE 104 Cb 0.37 1.17 -0.10 0.00 -1.74 0.00 0.00 39.64 39.33 1fwe n ILE 104 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1fwe s GLN 105 N -0.35 1.90 0.32 6.28 -0.21 -0.01 -5.07 119.66 122.52 1fwe s GLN 105 Ca 0.00 -1.22 -0.02 0.00 0.02 0.00 0.00 55.36 54.14 1fwe s GLN 105 Cb 0.00 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.84 1fwe s GLN 105 CO 0.00 0.46 0.55 -1.25 -2.12 0.00 0.00 175.29 172.93 1fwe s PRO 106 N -2.44 3.54 -1.27 2.91 0.04 -1.26 -4.45 135.00 132.07 1fwe s PRO 106 Ca 0.21 -0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.07 1fwe s PRO 106 Cb -0.10 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1fwe s PRO 106 CO 0.12 0.17 0.04 0.09 0.04 0.00 0.00 177.00 177.47 1fwe n ASN 107 N -1.40 -4.48 -4.66 6.66 4.13 -1.26 -4.93 115.26 109.31 1fwe n ASN 107 Ca -0.03 0.10 -0.43 0.00 1.68 0.00 0.00 54.58 55.90 1fwe n ASN 107 Cb 0.55 -3.77 -0.02 0.00 -1.54 0.00 0.00 39.78 35.00 1fwe n ASN 107 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1fwe s VAL 108 N -2.76 4.48 -0.37 2.41 1.01 -1.26 -4.51 120.40 119.40 1fwe s VAL 108 Ca 0.03 1.79 0.07 0.00 0.00 0.00 0.00 61.98 63.87 1fwe s VAL 108 Cb -0.01 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 1fwe s VAL 108 CO 0.03 -0.14 0.33 0.35 0.00 0.00 0.00 175.10 175.68 1fwe n THR 109 N 5.25 0.00 -3.75 3.92 -2.24 0.12 -4.86 114.28 112.72 1fwe n THR 109 Ca 0.13 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 1fwe n THR 109 Cb 0.46 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.55 1fwe n THR 109 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1fwe s ILE 110 N -1.67 1.29 0.06 2.28 1.01 -0.63 -4.89 121.20 118.66 1fwe s ILE 110 Ca 0.03 -2.09 -0.31 0.00 0.00 0.00 0.00 60.65 58.28 1fwe s ILE 110 Cb 0.06 -1.93 -0.07 0.00 0.01 0.00 0.00 42.46 40.52 1fwe s ILE 110 CO 0.30 -0.78 1.49 -2.16 0.00 0.00 0.00 174.94 173.79 1fwe s PRO 111 N 0.89 4.26 -0.23 2.79 0.04 -1.26 -1.10 135.00 140.39 1fwe s PRO 111 Ca 0.14 2.13 -0.07 0.00 0.04 0.00 0.00 61.00 63.24 1fwe s PRO 111 Cb -0.21 -3.48 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 1fwe s PRO 111 CO -0.10 -0.60 0.06 0.42 0.04 0.00 0.00 177.00 176.82 1fwe s ILE 112 N 2.09 4.35 0.00 0.56 1.01 -0.74 -2.27 121.20 126.20 1fwe s ILE 112 Ca 0.68 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1fwe s ILE 112 Cb -0.36 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1fwe s ILE 112 CO 0.29 0.37 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1fwe n GLY 113 N 4.59 4.85 0.30 6.18 0.00 -1.26 -0.33 105.19 119.51 1fwe n GLY 113 Ca -0.16 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.16 1fwe n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwe h ALA 114 N 1.00 2.11 -0.18 4.61 0.00 -1.78 -1.33 119.26 123.68 1fwe h ALA 114 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fwe h ALA 114 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fwe h ALA 114 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1fwe n ALA 115 N -2.56 2.47 -2.68 0.00 0.00 -1.26 -4.88 120.51 111.60 1fwe n ALA 115 Ca 0.01 -0.33 -0.36 0.00 0.00 0.00 0.00 53.44 52.76 1fwe n ALA 115 Cb 0.23 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 1fwe n ALA 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fwe s THR 116 N -1.75 5.35 0.29 0.00 2.01 -0.50 -4.44 115.64 116.58 1fwe s THR 116 Ca 0.13 0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 1fwe s THR 116 Cb 0.07 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1fwe s THR 116 CO 0.09 0.36 0.50 -0.70 -0.69 0.00 0.00 174.62 174.18 1fwe s GLU 117 N 0.89 3.53 -0.04 4.92 2.56 0.16 -4.90 118.70 125.83 1fwe s GLU 117 Ca 0.10 -0.26 0.03 0.00 0.00 0.00 0.00 54.97 54.84 1fwe s GLU 117 Cb -0.13 -2.72 0.00 0.00 2.00 0.00 0.00 34.13 33.28 1fwe s GLU 117 CO 0.03 0.25 -0.12 0.08 -0.56 0.00 0.00 175.26 174.94 1fwe s VAL 118 N -2.12 1.07 -0.21 3.70 1.01 -1.26 -1.87 120.40 120.72 1fwe s VAL 118 Ca 0.40 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1fwe s VAL 118 Cb -0.10 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1fwe s VAL 118 CO 0.32 0.32 -0.15 -0.63 0.00 0.00 0.00 175.10 174.96 1fwe s ILE 119 N 0.19 2.27 -0.42 2.22 1.01 -0.71 -4.98 121.20 120.78 1fwe s ILE 119 Ca -0.05 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.21 1fwe s ILE 119 Cb -0.10 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.29 1fwe s ILE 119 CO 0.01 0.34 1.35 0.00 0.00 0.00 0.00 174.94 176.65 1fwe s ALA 120 N 1.26 3.07 -1.53 9.38 0.00 -1.26 -1.77 121.76 130.91 1fwe s ALA 120 Ca 0.01 -0.22 0.16 0.00 0.00 0.00 0.00 51.96 51.90 1fwe s ALA 120 Cb -0.15 -3.93 0.35 0.00 0.00 0.00 0.00 23.12 19.38 1fwe s ALA 120 CO -0.09 -2.36 1.26 0.00 0.00 0.00 0.00 175.76 174.57 1fwe n ALA 121 N 8.59 2.32 -1.95 0.00 0.00 -0.20 -4.91 120.51 124.36 1fwe n ALA 121 Ca 0.16 -1.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.14 1fwe n ALA 121 Cb 0.48 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 1fwe n ALA 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1fwe s GLU 122 N -1.10 4.20 0.00 0.00 1.03 -0.98 -1.06 118.70 120.79 1fwe s GLU 122 Ca 0.29 2.30 0.00 0.00 0.03 0.00 0.00 54.97 57.59 1fwe s GLU 122 Cb 0.16 -3.61 0.00 0.00 -0.80 0.00 0.00 34.13 29.88 1fwe s GLU 122 CO 0.22 -0.73 0.00 0.41 -1.33 0.00 0.00 175.26 173.83 1fwe n GLY 123 N 3.98 0.69 3.47 -3.83 0.00 -1.26 -4.78 105.19 103.46 1fwe n GLY 123 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1fwe n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fwe s LYS 124 N -0.65 1.71 -0.17 1.61 -0.14 -0.22 -4.36 119.74 117.51 1fwe s LYS 124 Ca 0.00 -1.39 -0.07 0.00 -1.36 0.00 0.00 55.97 53.14 1fwe s LYS 124 Cb 0.00 -1.98 -0.04 0.00 -1.68 0.00 0.00 37.83 34.13 1fwe s LYS 124 CO 0.00 0.42 0.07 0.42 -0.76 0.00 0.00 175.35 175.51 1fwe s ILE 125 N -1.57 4.89 -0.09 2.17 1.01 0.06 -2.15 121.20 125.52 1fwe s ILE 125 Ca 0.21 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.89 1fwe s ILE 125 Cb -0.09 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 1fwe s ILE 125 CO 0.11 0.49 -0.18 -0.69 0.00 0.00 0.00 174.94 174.67 1fwe s VAL 126 N 0.11 2.70 0.22 2.92 1.01 -0.31 -0.20 120.40 126.84 1fwe s VAL 126 Ca 0.06 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1fwe s VAL 126 Cb -0.12 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1fwe s VAL 126 CO 0.00 0.56 0.06 0.42 0.00 0.00 0.00 175.10 176.14 1fwe s THR 127 N -0.09 0.59 0.75 3.92 -4.23 -0.54 -2.28 115.64 113.74 1fwe s THR 127 Ca -0.03 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.38 1fwe s THR 127 Cb -0.14 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.34 1fwe s THR 127 CO 0.04 -0.21 1.08 0.00 -0.54 0.00 0.00 174.62 174.98 1fwe s ALA 128 N -3.73 2.43 0.33 3.99 0.00 -1.26 -1.31 121.76 122.21 1fwe s ALA 128 Ca 0.32 0.05 -0.27 0.00 0.00 0.00 0.00 51.96 52.06 1fwe s ALA 128 Cb 0.07 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 1fwe s ALA 128 CO 0.09 -1.51 1.01 0.20 0.00 0.00 0.00 175.76 175.56 1fwe s GLY 129 N -3.72 2.89 0.89 0.00 0.00 -0.64 -4.54 107.32 102.20 1fwe s GLY 129 Ca 0.60 0.68 -0.10 0.00 0.00 0.00 0.00 44.72 45.89 1fwe s GLY 129 CO 0.55 1.17 1.12 -0.32 0.00 0.00 0.00 173.10 175.62 1fwe s GLY 130 N -1.37 1.67 -0.17 0.20 0.00 0.75 -4.61 107.32 103.79 1fwe s GLY 130 Ca 0.50 0.40 -0.03 0.00 0.00 0.00 0.00 44.72 45.59 1fwe s GLY 130 CO 0.30 0.83 0.03 -0.42 0.00 0.00 0.00 173.10 173.84 1fwe s ILE 131 N -2.73 0.45 -0.30 0.90 1.01 0.41 -0.87 121.20 120.07 1fwe s ILE 131 Ca 0.65 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 1fwe s ILE 131 Cb -0.21 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1fwe s ILE 131 CO 0.58 -0.14 0.19 -0.62 0.00 0.00 0.00 174.94 174.94 1fwe s ASP 132 N 1.90 5.83 -0.20 3.58 -1.08 -0.59 -4.68 116.67 121.43 1fwe s ASP 132 Ca 0.00 -0.29 0.15 0.00 -0.52 0.00 0.00 52.55 51.89 1fwe s ASP 132 Cb -0.16 -2.08 0.68 0.00 -1.46 0.00 0.00 42.92 39.90 1fwe s ASP 132 CO -0.08 -0.15 1.59 0.35 0.52 0.00 0.00 175.17 177.41 1fwe n THR 133 N 5.04 2.44 -2.92 1.71 -2.24 -1.26 -0.72 114.28 116.33 1fwe n THR 133 Ca -0.14 -1.57 -0.19 0.00 -2.27 0.00 0.00 64.05 59.88 1fwe n THR 133 Cb 0.50 -0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 1fwe n THR 133 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1fwe n HIS 134 N 0.20 1.58 -3.53 4.78 -0.00 -1.11 -4.61 115.22 112.53 1fwe n HIS 134 Ca 0.25 -3.51 -0.37 0.00 -0.00 0.00 0.00 57.72 54.08 1fwe n HIS 134 Cb 1.03 -0.38 -0.06 0.00 -0.00 0.00 0.00 29.99 30.57 1fwe n HIS 134 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1fwe s ILE 135 N -3.38 5.23 -0.33 3.57 -1.09 -0.40 -1.93 121.20 122.87 1fwe s ILE 135 Ca 0.39 0.66 -0.09 0.00 -2.23 0.00 0.00 60.65 59.38 1fwe s ILE 135 Cb 0.37 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.60 1fwe s ILE 135 CO -0.07 0.46 0.15 -1.00 -1.23 0.00 0.00 174.94 173.25 1fwe s HIS 136 N -0.15 3.19 -1.28 3.97 3.76 -1.26 -1.43 115.29 122.09 1fwe s HIS 136 Ca 0.20 -0.80 -0.17 0.00 -0.15 0.00 0.00 55.06 54.14 1fwe s HIS 136 Cb -0.14 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.20 1fwe s HIS 136 CO 0.08 -0.54 2.05 0.91 -0.85 0.00 0.00 174.74 176.38 1fwe n TRP 137 N 4.95 3.43 0.05 1.40 7.02 -0.20 -4.59 117.44 129.51 1fwe n TRP 137 Ca -0.13 -2.63 -0.06 0.00 -1.02 0.00 0.00 57.50 53.66 1fwe n TRP 137 Cb 0.48 -2.43 -0.10 0.00 -2.42 0.00 0.00 31.31 26.84 1fwe n TRP 137 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1fwe h ILE 138 N 4.58 1.41 -1.96 -0.99 2.04 -1.87 -0.25 117.51 120.46 1fwe h ILE 138 Ca 0.49 -3.09 -0.03 0.00 1.00 0.00 0.00 64.86 63.23 1fwe h ILE 138 Cb 0.72 2.69 -0.19 0.00 -0.74 0.00 0.00 36.82 39.29 1fwe h ILE 138 CO 1.76 0.80 0.26 0.00 0.00 0.00 0.00 178.15 180.97 1fwe h PRO 140 N 2.88 0.00 0.00 0.00 0.13 -1.98 -3.19 132.00 129.84 1fwe h PRO 140 Ca -0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1fwe h PRO 140 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1fwe h PRO 140 CO 0.38 0.00 -0.00 1.96 -0.23 0.00 0.00 178.00 180.11 1fwe h GLN 141 N 0.00 0.00 -0.35 0.86 7.50 -2.03 -2.42 115.11 118.68 1fwe h GLN 141 Ca 0.00 0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.17 1fwe h GLN 141 Cb 0.51 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.03 1fwe h GLN 141 CO 0.00 0.00 0.23 1.96 -1.50 0.00 0.00 178.83 179.52 1fwe h GLN 142 N 0.00 0.38 -0.77 1.46 4.20 -1.98 -2.64 115.11 115.75 1fwe h GLN 142 Ca -0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1fwe h GLN 142 Cb 0.05 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1fwe h GLN 142 CO 0.00 0.25 0.32 0.00 -0.67 0.00 0.00 178.83 178.73 1fwe h ALA 143 N 1.80 0.99 -0.28 3.87 0.00 -1.70 -1.15 119.26 122.79 1fwe h ALA 143 Ca 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1fwe h ALA 143 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1fwe h ALA 143 CO -0.03 0.60 -0.16 1.49 0.00 0.00 0.00 179.25 181.16 1fwe h GLU 144 N 1.10 0.60 -0.31 0.00 4.81 -1.67 -0.35 114.58 118.76 1fwe h GLU 144 Ca 0.26 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1fwe h GLU 144 Cb 0.19 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1fwe h GLU 144 CO -0.02 0.85 0.11 1.49 -0.73 0.00 0.00 179.01 180.71 1fwe h GLU 145 N 0.33 0.25 -0.34 1.92 4.57 -1.36 -1.29 114.58 118.67 1fwe h GLU 145 Ca 0.06 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 1fwe h GLU 145 Cb 0.68 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1fwe h GLU 145 CO 0.05 0.16 -0.00 0.00 -1.18 0.00 0.00 179.01 178.04 1fwe h ALA 146 N 1.19 0.46 -0.52 2.92 0.00 -1.16 -2.94 119.26 119.21 1fwe h ALA 146 Ca 0.14 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1fwe h ALA 146 Cb 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1fwe h ALA 146 CO -0.13 0.22 0.29 1.25 0.00 0.00 0.00 179.25 180.88 1fwe h LEU 147 N 0.41 0.46 -1.94 0.00 5.85 -0.83 -1.25 115.31 118.01 1fwe h LEU 147 Ca 0.10 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1fwe h LEU 147 Cb 0.45 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1fwe h LEU 147 CO 0.02 0.32 -0.03 0.58 -0.34 0.00 0.00 178.44 178.99 1fwe h VAL 148 N 0.58 1.02 0.00 1.05 2.07 -1.19 -2.05 116.25 117.73 1fwe h VAL 148 Ca 0.22 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1fwe h VAL 148 Cb 0.06 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1fwe h VAL 148 CO -0.12 0.03 -0.13 -1.54 0.02 0.00 0.00 177.57 175.83 1fwe n SER 149 N -4.51 0.54 0.00 0.57 3.41 -0.77 -4.26 113.62 108.59 1fwe n SER 149 Ca -0.03 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1fwe n SER 149 Cb 0.11 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1fwe n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fwe n GLY 150 N 1.38 1.34 3.65 5.00 0.00 -0.77 -4.84 105.19 110.96 1fwe n GLY 150 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1fwe n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fwe s VAL 151 N -2.00 5.32 -0.43 1.61 1.01 -0.54 -0.18 120.40 125.19 1fwe s VAL 151 Ca 0.00 0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.26 1fwe s VAL 151 Cb 0.00 -3.48 -0.14 0.00 0.00 0.00 0.00 36.38 32.76 1fwe s VAL 151 CO 0.00 0.34 0.43 0.35 0.00 0.00 0.00 175.10 176.22 1fwe n THR 152 N 4.34 0.00 -4.55 3.92 -2.24 -0.04 -3.38 114.28 112.33 1fwe n THR 152 Ca -0.15 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.16 1fwe n THR 152 Cb 0.52 0.84 -0.16 0.00 -2.10 0.00 0.00 70.33 69.43 1fwe n THR 152 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1fwe s THR 153 N -2.22 1.05 -0.09 4.28 2.01 -1.05 -1.04 115.64 118.57 1fwe s THR 153 Ca 0.02 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1fwe s THR 153 Cb 0.08 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.67 1fwe s THR 153 CO 0.47 0.33 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.60 1fwe s MET 154 N 0.43 1.47 -0.05 4.92 -1.94 0.64 -1.54 119.30 123.23 1fwe s MET 154 Ca -0.09 -0.27 0.06 0.00 -1.71 0.00 0.00 55.69 53.68 1fwe s MET 154 Cb -0.13 -1.43 -0.01 0.00 2.01 0.00 0.00 34.83 35.27 1fwe s MET 154 CO 0.02 -0.16 -0.24 0.08 -0.01 0.00 0.00 175.02 174.72 1fwe s VAL 155 N 1.31 1.93 -3.06 -6.03 1.01 0.10 -2.63 120.40 113.03 1fwe s VAL 155 Ca -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1fwe s VAL 155 Cb -0.14 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1fwe s VAL 155 CO -0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1fwe n GLY 156 N 2.88 -0.73 3.26 4.51 0.00 -1.09 -1.27 105.19 112.74 1fwe n GLY 156 Ca -0.17 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 1fwe n GLY 156 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fwe s GLY 157 N 0.00 0.12 0.00 -0.02 0.00 -0.51 -1.29 107.32 105.62 1fwe s GLY 157 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1fwe s GLY 157 CO 0.00 -0.72 0.00 0.61 0.00 0.00 0.00 173.10 172.99 1fwe n GLY 158 N -0.13 1.38 0.00 0.20 0.00 -1.18 -1.04 105.19 104.42 1fwe n GLY 158 Ca -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1fwe n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fwe n THR 159 N -1.12 0.00 0.00 2.61 -2.24 -1.23 -4.58 114.28 107.73 1fwe n THR 159 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1fwe n THR 159 Cb 0.00 1.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1fwe n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fwe n GLY 160 N 0.01 0.71 2.57 3.38 0.00 -0.11 -4.88 105.19 106.88 1fwe n GLY 160 Ca 0.00 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 1fwe n GLY 160 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fwe n PRO 161 N 0.00 2.59 -4.28 1.61 -0.04 -0.78 -4.38 135.00 129.71 1fwe n PRO 161 Ca 0.00 -1.80 -0.31 0.00 -0.04 0.00 0.00 63.50 61.35 1fwe n PRO 161 Cb 0.00 -2.66 -0.09 0.00 -0.04 0.00 0.00 33.50 30.70 1fwe n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fwe s ALA 162 N 3.16 3.09 0.34 0.55 0.00 -1.26 -4.98 121.76 122.67 1fwe s ALA 162 Ca 0.51 -1.11 0.11 0.00 0.00 0.00 0.00 51.96 51.47 1fwe s ALA 162 Cb 0.13 -1.09 0.91 0.00 0.00 0.00 0.00 23.12 23.07 1fwe s ALA 162 CO -0.03 0.65 1.77 0.00 0.00 0.00 0.00 175.76 178.15 1fwe h ALA 163 N 3.92 1.91 -0.00 0.00 0.00 -1.99 0.52 119.26 123.61 1fwe h ALA 163 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1fwe h ALA 163 Cb 1.17 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1fwe h ALA 163 CO 0.55 -0.31 0.00 0.78 0.00 0.00 0.00 179.25 180.28 1fwe h GLY 164 N 0.58 0.00 1.88 0.00 0.00 -1.94 -2.90 103.07 100.69 1fwe h GLY 164 Ca 0.59 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.82 1fwe h GLY 164 CO -0.36 0.00 -0.42 -0.84 0.00 0.00 0.00 176.54 174.92 1fwe h THR 165 N -0.02 1.31 -0.90 4.70 2.02 -1.25 0.64 112.91 119.41 1fwe h THR 165 Ca 0.00 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.67 1fwe h THR 165 Cb 0.03 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1fwe h THR 165 CO -0.00 0.44 0.52 0.45 0.37 0.00 0.00 175.52 177.30 1fwe h HIS 166 N 0.12 1.20 0.12 3.16 3.86 -0.85 -3.27 115.15 119.49 1fwe h HIS 166 Ca 0.01 -0.01 -0.36 0.00 -1.16 0.00 0.00 60.37 58.85 1fwe h HIS 166 Cb 0.79 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 1fwe h HIS 166 CO 0.01 0.81 -1.96 0.00 0.86 0.00 0.00 177.93 177.65 1fwe n ALA 167 N -2.41 0.87 -2.44 2.45 0.00 -1.10 -4.59 120.51 113.30 1fwe n ALA 167 Ca 0.10 -0.57 -0.26 0.00 0.00 0.00 0.00 53.44 52.70 1fwe n ALA 167 Cb 0.08 -0.69 -0.12 0.00 0.00 0.00 0.00 19.45 18.72 1fwe n ALA 167 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fwe s THR 168 N -2.55 2.15 -1.34 0.00 -4.23 0.20 -5.04 115.64 104.83 1fwe s THR 168 Ca -0.23 -1.87 -0.08 0.00 -1.18 0.00 0.00 61.69 58.34 1fwe s THR 168 Cb 0.07 -1.96 0.12 0.00 1.34 0.00 0.00 72.50 72.06 1fwe s THR 168 CO 0.76 -0.08 2.23 0.35 -0.54 0.00 0.00 174.62 177.34 1fwe n THR 169 N 0.57 4.73 -4.62 3.99 -2.24 -1.26 -4.24 114.28 111.20 1fwe n THR 169 Ca -0.15 -4.14 -0.24 0.00 -2.27 0.00 0.00 64.05 57.25 1fwe n THR 169 Cb 0.55 -2.26 -0.16 0.00 -2.10 0.00 0.00 70.33 66.36 1fwe n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fwe s THR 171 N 0.45 4.22 -0.22 0.00 2.01 -0.52 -3.11 115.64 118.47 1fwe s THR 171 Ca -0.10 -2.02 -0.29 0.00 0.31 0.00 0.00 61.69 59.58 1fwe s THR 171 Cb -0.14 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1fwe s THR 171 CO 0.03 -0.81 1.50 -2.84 -0.69 0.00 0.00 174.62 171.81 1fwe s PRO 172 N 1.05 3.91 0.26 4.92 0.02 -1.26 -3.71 135.00 140.20 1fwe s PRO 172 Ca 0.08 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1fwe s PRO 172 Cb -0.24 -3.96 0.00 0.00 0.02 0.00 0.00 34.50 30.32 1fwe s PRO 172 CO -0.02 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 1fwe n GLY 173 N 4.40 -2.82 0.30 0.52 0.00 -1.26 -4.20 105.19 102.13 1fwe n GLY 173 Ca 0.17 -1.28 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 1fwe n GLY 173 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1fwe h PRO 174 N -0.61 -0.05 0.53 1.61 0.11 -1.91 -0.78 132.00 130.90 1fwe h PRO 174 Ca -0.08 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1fwe h PRO 174 Cb 0.60 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1fwe h PRO 174 CO 0.03 -0.03 -0.31 2.35 -0.21 0.00 0.00 178.00 179.83 1fwe h TRP 175 N -0.05 -0.80 -0.72 0.65 7.01 -1.99 0.75 115.95 120.79 1fwe h TRP 175 Ca 0.32 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.25 1fwe h TRP 175 Cb 0.55 0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.86 1fwe h TRP 175 CO -0.62 -0.48 0.23 1.88 -2.79 0.00 0.00 178.44 176.67 1fwe h TYR 176 N -0.79 1.14 0.04 2.65 -1.99 -1.68 -0.73 116.97 115.61 1fwe h TYR 176 Ca -0.07 -0.10 0.02 0.00 2.00 0.00 0.00 58.73 60.58 1fwe h TYR 176 Cb 0.63 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 1fwe h TYR 176 CO -0.08 0.89 -0.13 0.82 -0.00 0.00 0.00 178.16 179.67 1fwe h ILE 177 N 1.06 0.69 -0.42 -2.88 2.04 -1.00 0.16 117.51 117.16 1fwe h ILE 177 Ca 0.23 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.14 1fwe h ILE 177 Cb 0.28 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1fwe h ILE 177 CO -0.01 0.00 0.15 0.28 0.00 0.00 0.00 178.15 178.57 1fwe h SER 178 N -0.24 0.17 -0.74 1.72 0.02 -0.60 0.24 113.55 114.14 1fwe h SER 178 Ca 0.03 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1fwe h SER 178 Cb 0.27 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1fwe h SER 178 CO -0.10 0.14 0.48 0.03 -1.14 0.00 0.00 176.83 176.24 1fwe h ARG 179 N 0.32 0.95 0.00 3.45 -0.00 -0.65 -2.06 114.38 116.39 1fwe h ARG 179 Ca 0.19 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.98 59.52 1fwe h ARG 179 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 29.97 29.91 1fwe h ARG 179 CO -0.19 0.63 -0.43 0.52 0.00 0.00 0.00 179.97 180.50 1fwe h MET 180 N 0.97 0.00 -0.16 0.04 2.86 -0.07 -1.77 114.93 116.80 1fwe h MET 180 Ca 0.28 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.77 1fwe h MET 180 Cb -0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1fwe h MET 180 CO -0.07 0.43 -0.51 -0.07 1.06 0.00 0.00 176.91 177.75 1fwe h LEU 181 N 0.00 0.50 -0.20 1.22 3.38 -0.49 -2.14 115.31 117.58 1fwe h LEU 181 Ca -0.00 -0.26 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 1fwe h LEU 181 Cb 1.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1fwe h LEU 181 CO 0.06 0.93 -0.54 1.56 0.09 0.00 0.00 178.44 180.53 1fwe h GLN 182 N 0.36 0.73 -0.13 1.13 4.20 -1.16 -3.15 115.11 117.09 1fwe h GLN 182 Ca 0.01 -0.51 -0.05 0.00 0.06 0.00 0.00 58.65 58.16 1fwe h GLN 182 Cb 1.03 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1fwe h GLN 182 CO 0.09 1.13 -0.15 0.00 -0.67 0.00 0.00 178.83 179.23 1fwe h ALA 183 N 0.59 1.51 -0.19 3.87 0.00 -1.29 -3.11 119.26 120.65 1fwe h ALA 183 Ca -0.01 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1fwe h ALA 183 Cb 1.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1fwe h ALA 183 CO 0.12 0.35 0.15 0.00 0.00 0.00 0.00 179.25 179.87 1fwe h ALA 184 N 1.65 2.08 0.00 0.00 0.00 -1.34 -1.79 119.26 119.87 1fwe h ALA 184 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1fwe h ALA 184 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1fwe h ALA 184 CO 0.02 -0.25 0.00 -0.44 0.00 0.00 0.00 179.25 178.59 1fwe h ASP 185 N 0.00 0.00 1.23 0.00 3.45 -1.67 -1.54 116.42 117.89 1fwe h ASP 185 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1fwe h ASP 185 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1fwe h ASP 185 CO -0.00 0.00 -0.31 0.28 -1.57 0.00 0.00 179.24 177.64 1fwe h SER 186 N 0.00 0.00 -3.08 6.45 0.02 -1.54 -3.43 113.55 111.97 1fwe h SER 186 Ca 0.00 -0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.24 1fwe h SER 186 Cb 0.12 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.57 1fwe h SER 186 CO 0.00 0.05 -0.36 -0.76 -1.14 0.00 0.00 176.83 174.61 1fwe s LEU 187 N -4.54 4.32 0.00 5.07 1.43 -0.58 -5.00 118.68 119.38 1fwe s LEU 187 Ca 0.08 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1fwe s LEU 187 Cb 0.12 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1fwe s LEU 187 CO 0.66 0.23 0.92 -0.81 0.23 0.00 0.00 176.35 177.58 1fwe n PRO 188 N 2.85 0.83 -4.15 1.29 -0.04 -1.26 -4.83 135.00 129.69 1fwe n PRO 188 Ca -0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 1fwe n PRO 188 Cb 0.53 -1.09 -0.10 0.00 -0.04 0.00 0.00 33.50 32.80 1fwe n PRO 188 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fwe s VAL 189 N 0.19 0.64 0.29 0.52 -7.23 -1.26 -5.02 120.40 108.53 1fwe s VAL 189 Ca 0.00 -1.82 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 1fwe s VAL 189 Cb 0.00 -1.53 -0.09 0.00 0.56 0.00 0.00 36.38 35.31 1fwe s VAL 189 CO 0.00 -0.82 1.06 0.20 -0.31 0.00 0.00 175.10 175.23 1fwe s ASN 190 N -2.85 7.29 0.01 4.85 0.01 -0.21 -4.65 114.94 119.40 1fwe s ASN 190 Ca 0.09 2.17 0.03 0.00 -0.71 0.00 0.00 52.86 54.43 1fwe s ASN 190 Cb 0.03 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1fwe s ASN 190 CO -0.04 -0.12 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.70 1fwe s ILE 191 N -1.23 0.71 0.01 0.60 1.01 -0.78 -0.26 121.20 121.25 1fwe s ILE 191 Ca 0.45 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1fwe s ILE 191 Cb -0.29 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1fwe s ILE 191 CO 0.37 0.06 -0.04 -0.83 0.00 0.00 0.00 174.94 174.50 1fwe s GLY 192 N -0.57 0.24 0.08 6.18 0.00 -1.08 -1.01 107.32 111.16 1fwe s GLY 192 Ca 0.01 -0.28 0.06 0.00 0.00 0.00 0.00 44.72 44.51 1fwe s GLY 192 CO 0.00 -0.27 -0.10 1.08 0.00 0.00 0.00 173.10 173.81 1fwe s LEU 193 N -0.40 3.05 -0.12 0.66 1.43 -1.26 -2.69 118.68 119.35 1fwe s LEU 193 Ca -0.01 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1fwe s LEU 193 Cb -0.03 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1fwe s LEU 193 CO -0.00 0.20 -0.10 -0.76 0.23 0.00 0.00 176.35 175.92 1fwe s LEU 194 N -2.04 2.94 0.66 1.79 1.43 -0.41 -0.39 118.68 122.66 1fwe s LEU 194 Ca 0.20 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 1fwe s LEU 194 Cb -0.11 -1.67 0.12 0.00 0.03 0.00 0.00 46.19 44.56 1fwe s LEU 194 CO 0.12 0.22 0.91 -0.83 0.23 0.00 0.00 176.35 177.00 1fwe s GLY 195 N 0.06 1.73 -0.36 -3.19 0.00 -0.69 -1.44 107.32 103.43 1fwe s GLY 195 Ca -0.03 -2.03 -0.27 0.00 0.00 0.00 0.00 44.72 42.39 1fwe s GLY 195 CO 0.04 -1.48 0.99 1.25 0.00 0.00 0.00 173.10 173.89 1fwe s LYS 196 N -4.92 3.91 0.00 2.90 2.20 -1.24 -4.51 119.74 118.09 1fwe s LYS 196 Ca 0.65 0.75 0.27 0.00 -0.36 0.00 0.00 55.97 57.27 1fwe s LYS 196 Cb -0.05 -3.79 0.96 0.00 -1.51 0.00 0.00 37.83 33.45 1fwe s LYS 196 CO 0.42 -0.96 1.69 0.41 -0.36 0.00 0.00 175.35 176.55 1fwe n GLY 197 N 4.24 0.10 3.53 5.54 0.00 -1.26 -4.76 105.19 112.57 1fwe n GLY 197 Ca 0.09 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1fwe n GLY 197 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fwe s ASN 198 N -1.91 6.87 0.03 1.61 -0.87 -1.26 -4.53 114.94 114.87 1fwe s ASN 198 Ca 0.37 -2.50 -0.18 0.00 -1.57 0.00 0.00 52.86 48.97 1fwe s ASN 198 Cb 0.20 -2.50 0.04 0.00 -0.02 0.00 0.00 41.25 38.97 1fwe s ASN 198 CO 0.32 -1.05 0.41 -0.69 -2.57 0.00 0.00 177.10 173.52 1fwe s VAL 199 N 3.25 0.05 -0.76 1.60 1.01 -1.26 -4.97 120.40 119.33 1fwe s VAL 199 Ca 0.47 -0.44 0.16 0.00 0.00 0.00 0.00 61.98 62.17 1fwe s VAL 199 Cb 0.00 -0.90 0.55 0.00 0.00 0.00 0.00 36.38 36.03 1fwe s VAL 199 CO 0.02 -0.24 1.47 -1.20 0.00 0.00 0.00 175.10 175.14 1fwe n SER 200 N 0.65 4.01 -4.05 3.32 7.64 -1.26 -4.54 113.62 119.38 1fwe n SER 200 Ca -0.19 -2.51 -0.32 0.00 1.01 0.00 0.00 58.87 56.87 1fwe n SER 200 Cb 0.59 -0.47 -0.15 0.00 -1.01 0.00 0.00 64.21 63.17 1fwe n SER 200 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1fwe s GLN 201 N -1.93 2.01 0.29 1.43 2.00 -1.26 -5.01 119.66 117.20 1fwe s GLN 201 Ca 0.41 -1.50 0.04 0.00 -2.00 0.00 0.00 55.36 52.30 1fwe s GLN 201 Cb 0.28 -2.98 0.69 0.00 0.80 0.00 0.00 33.01 31.79 1fwe s GLN 201 CO 0.17 -0.68 1.78 -1.35 -0.50 0.00 0.00 175.29 174.71 1fwe h PRO 202 N 7.72 0.73 -0.37 1.67 0.11 -1.90 -1.47 132.00 138.49 1fwe h PRO 202 Ca -0.15 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 1fwe h PRO 202 Cb 1.03 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1fwe h PRO 202 CO 0.48 0.48 0.23 -0.44 -0.21 0.00 0.00 178.00 178.54 1fwe h ASP 203 N 0.75 0.43 0.79 -2.05 3.32 -1.99 0.00 116.42 117.68 1fwe h ASP 203 Ca 0.55 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.58 1fwe h ASP 203 Cb 0.83 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 1fwe h ASP 203 CO -0.37 0.33 -0.04 0.00 -1.72 0.00 0.00 179.24 177.44 1fwe h ALA 204 N 1.75 1.03 0.11 3.45 0.00 -1.70 -2.12 119.26 121.77 1fwe h ALA 204 Ca 0.13 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.67 1fwe h ALA 204 Cb -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1fwe h ALA 204 CO -0.03 0.04 -1.86 -0.07 0.00 0.00 0.00 179.25 177.34 1fwe h LEU 205 N 0.00 0.37 -1.37 0.00 3.38 -1.21 -3.35 115.31 113.13 1fwe h LEU 205 Ca -0.00 -0.89 0.01 0.00 0.09 0.00 0.00 57.88 57.09 1fwe h LEU 205 Cb 0.44 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1fwe h LEU 205 CO 0.00 1.80 0.43 0.03 0.09 0.00 0.00 178.44 180.79 1fwe h ARG 206 N -0.10 0.84 -0.34 1.13 3.08 -0.87 -1.96 114.38 116.17 1fwe h ARG 206 Ca -0.41 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.61 1fwe h ARG 206 Cb 1.92 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.76 1fwe h ARG 206 CO 0.05 0.56 0.17 0.93 -1.07 0.00 0.00 179.97 180.61 1fwe h GLU 207 N 0.87 0.34 -0.61 0.04 5.08 -1.55 0.14 114.58 118.89 1fwe h GLU 207 Ca 0.24 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1fwe h GLU 207 Cb -0.10 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1fwe h GLU 207 CO -0.05 0.23 0.24 1.96 -1.00 0.00 0.00 179.01 180.38 1fwe h GLN 208 N 0.35 0.92 -0.24 2.33 4.20 -1.53 -0.06 115.11 121.07 1fwe h GLN 208 Ca 0.14 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1fwe h GLN 208 Cb 0.05 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1fwe h GLN 208 CO -0.09 0.78 0.05 0.28 -0.67 0.00 0.00 178.83 179.17 1fwe h VAL 209 N 0.85 1.22 0.00 -0.54 2.07 -1.06 -2.34 116.25 116.45 1fwe h VAL 209 Ca 0.20 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1fwe h VAL 209 Cb 0.21 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1fwe h VAL 209 CO -0.02 0.24 -0.03 0.00 0.02 0.00 0.00 177.57 177.78 1fwe h ALA 210 N 0.86 1.58 0.00 1.67 0.00 -0.56 -1.20 119.26 121.61 1fwe h ALA 210 Ca 0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1fwe h ALA 210 Cb 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1fwe h ALA 210 CO 0.00 0.03 -0.33 0.00 0.00 0.00 0.00 179.25 178.96 1fwe h ALA 211 N 1.97 0.81 0.00 0.00 0.00 -0.49 -3.33 119.26 118.22 1fwe h ALA 211 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1fwe h ALA 211 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1fwe h ALA 211 CO 0.00 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1fwe n GLY 212 N 1.03 0.43 3.77 0.00 0.00 -0.45 -4.72 105.19 105.26 1fwe n GLY 212 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1fwe n GLY 212 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fwe s VAL 213 N 0.00 3.27 -2.28 1.61 -7.23 -1.13 -3.96 120.40 110.68 1fwe s VAL 213 Ca 0.00 0.99 0.22 0.00 -1.81 0.00 0.00 61.98 61.39 1fwe s VAL 213 Cb 0.00 -3.52 0.45 0.00 0.56 0.00 0.00 36.38 33.86 1fwe s VAL 213 CO 0.00 0.03 1.40 2.30 -0.31 0.00 0.00 175.10 178.52 1fwe n ILE 214 N -0.19 0.60 -3.85 -0.62 -5.35 0.48 -4.00 119.36 106.43 1fwe n ILE 214 Ca 0.06 -0.80 -0.01 0.00 -0.27 0.00 0.00 62.75 61.72 1fwe n ILE 214 Cb 0.48 0.89 0.01 0.00 -1.74 0.00 0.00 39.64 39.28 1fwe n ILE 214 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1fwe s GLY 215 N -1.36 -0.07 0.00 3.28 0.00 -1.20 -2.84 107.32 105.14 1fwe s GLY 215 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1fwe s GLY 215 CO 0.31 2.34 0.00 1.04 0.00 0.00 0.00 173.10 176.79 1fwe n LEU 216 N -0.67 0.00 -3.57 0.66 4.77 -0.39 -1.70 117.00 116.10 1fwe n LEU 216 Ca -0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 1fwe n LEU 216 Cb 0.60 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1fwe n LEU 216 CO 0.17 0.00 0.40 -0.63 -1.33 0.00 0.00 177.39 176.01 1fwe s ILE 218 N -0.50 -0.68 -0.02 -0.08 1.09 -0.40 -1.51 121.20 119.11 1fwe s ILE 218 Ca 0.00 0.00 0.04 0.00 -1.10 0.00 0.00 60.65 59.59 1fwe s ILE 218 Cb 0.00 -1.00 -0.00 0.00 -1.06 0.00 0.00 42.46 40.40 1fwe s ILE 218 CO 0.00 0.00 -0.13 -2.28 -0.10 0.00 0.00 174.94 172.43 1fwe s HIS 219 N 2.53 1.29 0.54 3.97 2.46 -1.26 -1.33 115.29 123.49 1fwe s HIS 219 Ca -0.06 -0.30 0.23 0.00 0.47 0.00 0.00 55.06 55.40 1fwe s HIS 219 Cb -0.09 -0.86 1.41 0.00 -0.13 0.00 0.00 32.58 32.90 1fwe s HIS 219 CO -0.18 -0.08 2.06 1.05 -2.47 0.00 0.00 174.74 175.11 1fwe h GLU 220 N 6.08 0.00 0.00 2.88 4.11 -1.66 -0.80 114.58 125.19 1fwe h GLU 220 Ca -0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.08 1fwe h GLU 220 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1fwe h GLU 220 CO 0.49 0.00 -0.07 -0.44 0.07 0.00 0.00 179.01 179.05 1fwe h ASP 221 N 0.00 0.00 -0.02 3.06 5.19 -1.94 -0.54 116.42 122.17 1fwe h ASP 221 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1fwe h ASP 221 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1fwe h ASP 221 CO -0.00 0.07 -0.05 0.79 -3.12 0.00 0.00 179.24 176.93 1fwe n TRP 222 N -3.47 0.00 0.00 4.55 7.02 -0.36 -5.02 117.44 120.16 1fwe n TRP 222 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1fwe n TRP 222 Cb 0.21 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1fwe n TRP 222 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fwe n GLY 223 N 1.12 0.28 2.63 6.99 0.00 -0.21 -4.91 105.19 111.09 1fwe n GLY 223 Ca 0.11 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1fwe n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwe n ALA 224 N 0.00 6.21 -2.41 4.61 0.00 -1.24 -4.81 120.51 122.87 1fwe n ALA 224 Ca 0.00 -4.01 -0.27 0.00 0.00 0.00 0.00 53.44 49.16 1fwe n ALA 224 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 19.45 16.30 1fwe n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fwe s THR 225 N 0.98 4.97 0.25 0.00 -4.23 -1.26 -4.35 115.64 112.00 1fwe s THR 225 Ca 0.51 0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 1fwe s THR 225 Cb 0.14 -3.82 0.23 0.00 1.34 0.00 0.00 72.50 70.39 1fwe s THR 225 CO -0.05 -0.63 1.83 -0.65 -0.54 0.00 0.00 174.62 174.58 1fwe h PRO 226 N 0.78 0.88 0.08 3.99 0.11 -1.93 -0.16 132.00 135.76 1fwe h PRO 226 Ca -0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1fwe h PRO 226 Cb 1.20 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1fwe h PRO 226 CO 0.63 0.59 -0.04 0.00 -0.21 0.00 0.00 178.00 178.96 1fwe h ALA 227 N 1.46 -0.10 -0.79 -0.75 0.00 -1.97 -0.22 119.26 116.89 1fwe h ALA 227 Ca 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1fwe h ALA 227 Cb 0.32 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1fwe h ALA 227 CO -0.22 -0.56 0.41 0.00 0.00 0.00 0.00 179.25 178.88 1fwe h ALA 228 N 0.82 1.02 -0.10 0.00 0.00 -1.70 -1.18 119.26 118.12 1fwe h ALA 228 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1fwe h ALA 228 Cb 0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1fwe h ALA 228 CO 0.02 0.55 0.06 0.82 0.00 0.00 0.00 179.25 180.69 1fwe h ILE 229 N 1.11 1.08 -0.62 0.00 2.04 -0.79 -1.57 117.51 118.75 1fwe h ILE 229 Ca 0.28 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1fwe h ILE 229 Cb 0.07 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1fwe h ILE 229 CO -0.04 0.07 0.41 -0.78 0.00 0.00 0.00 178.15 177.81 1fwe h ASP 230 N 0.08 0.70 -0.47 1.72 -0.00 -0.81 -2.00 116.42 115.65 1fwe h ASP 230 Ca 0.04 -0.02 0.01 0.00 -0.00 0.00 0.00 57.03 57.06 1fwe h ASP 230 Cb 0.06 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 39.19 1fwe h ASP 230 CO -0.01 0.51 0.30 0.00 -0.00 0.00 0.00 179.24 180.04 1fwe h ALA 232 N 1.19 0.75 0.00 0.00 0.00 -0.99 -2.71 119.26 117.50 1fwe h ALA 232 Ca 0.18 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1fwe h ALA 232 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1fwe h ALA 232 CO -0.05 0.42 -0.34 -0.07 0.00 0.00 0.00 179.25 179.20 1fwe h LEU 233 N 0.80 0.00 -0.33 0.00 3.38 -1.18 -0.98 115.31 117.01 1fwe h LEU 233 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1fwe h LEU 233 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1fwe h LEU 233 CO -0.00 0.34 -0.14 0.74 0.09 0.00 0.00 178.44 179.47 1fwe h THR 234 N 0.00 1.29 -0.41 0.22 2.02 -1.00 -1.69 112.91 113.34 1fwe h THR 234 Ca -0.00 -1.23 -0.13 0.00 0.77 0.00 0.00 66.41 65.81 1fwe h THR 234 Cb 0.65 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1fwe h THR 234 CO 0.04 0.40 -0.25 0.58 0.37 0.00 0.00 175.52 176.66 1fwe h VAL 235 N 0.44 1.28 -0.78 3.16 2.07 -1.28 -2.82 116.25 118.32 1fwe h VAL 235 Ca 0.08 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.21 1fwe h VAL 235 Cb 0.66 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1fwe h VAL 235 CO 0.04 0.47 0.50 0.00 0.02 0.00 0.00 177.57 178.61 1fwe h ALA 236 N 0.81 1.02 -0.64 1.67 0.00 -1.12 0.27 119.26 121.27 1fwe h ALA 236 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1fwe h ALA 236 Cb 0.83 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1fwe h ALA 236 CO 0.07 0.32 0.38 -0.44 0.00 0.00 0.00 179.25 179.58 1fwe h ASP 237 N 0.98 0.76 0.88 0.00 3.32 -1.14 -1.03 116.42 120.19 1fwe h ASP 237 Ca 0.31 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1fwe h ASP 237 Cb -0.01 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1fwe h ASP 237 CO -0.11 0.59 -0.97 -1.84 -1.72 0.00 0.00 179.24 175.19 1fwe n GLU 238 N -4.40 0.52 -0.10 3.56 0.28 -0.81 -4.26 120.64 115.43 1fwe n GLU 238 Ca 0.06 0.09 0.06 0.00 -0.16 0.00 0.00 57.16 57.22 1fwe n GLU 238 Cb 0.07 -1.77 0.11 0.00 1.43 0.00 0.00 31.44 31.29 1fwe n GLU 238 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1fwe n MET 239 N -2.49 1.78 -3.72 3.44 2.81 0.02 -5.00 117.12 113.95 1fwe n MET 239 Ca 0.01 -1.68 -0.23 0.00 -1.81 0.00 0.00 57.70 53.99 1fwe n MET 239 Cb 0.52 -1.28 0.03 0.00 -0.71 0.00 0.00 33.22 31.79 1fwe n MET 239 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1fwe n ASP 240 N 0.69 -1.88 -4.45 7.83 -0.08 -0.41 -4.63 116.55 113.63 1fwe n ASP 240 Ca 0.10 -0.80 -0.23 0.00 -1.51 0.00 0.00 54.79 52.35 1fwe n ASP 240 Cb 0.38 -4.09 -0.10 0.00 2.34 0.00 0.00 41.12 39.65 1fwe n ASP 240 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1fwe s ILE 241 N -3.59 2.31 0.20 5.18 -5.25 -1.17 -4.55 121.20 114.32 1fwe s ILE 241 Ca 0.12 -2.35 -0.01 0.00 -0.99 0.00 0.00 60.65 57.42 1fwe s ILE 241 Cb -0.06 -2.28 -0.04 0.00 2.95 0.00 0.00 42.46 43.03 1fwe s ILE 241 CO 0.81 -0.42 0.39 -1.58 -1.79 0.00 0.00 174.94 172.35 1fwe s GLN 242 N -3.55 3.52 -0.06 0.37 2.00 -1.13 -4.71 119.66 116.11 1fwe s GLN 242 Ca 0.29 -0.34 0.04 0.00 -2.00 0.00 0.00 55.36 53.35 1fwe s GLN 242 Cb -0.03 -2.84 -0.02 0.00 0.80 0.00 0.00 33.01 30.92 1fwe s GLN 242 CO 0.14 0.40 -0.17 0.08 -0.50 0.00 0.00 175.29 175.23 1fwe s VAL 243 N -1.87 2.78 -0.04 1.34 1.01 -1.26 -1.26 120.40 121.10 1fwe s VAL 243 Ca 0.38 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1fwe s VAL 243 Cb -0.11 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1fwe s VAL 243 CO 0.29 0.58 -0.25 0.00 0.00 0.00 0.00 175.10 175.72 1fwe s ALA 244 N -0.50 2.20 -0.04 5.51 0.00 -0.57 -0.80 121.76 127.56 1fwe s ALA 244 Ca 0.06 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.00 1fwe s ALA 244 Cb -0.12 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1fwe s ALA 244 CO 0.01 0.48 -0.21 -1.17 0.00 0.00 0.00 175.76 174.87 1fwe s LEU 245 N -0.40 1.99 -0.34 0.00 2.96 0.26 -1.27 118.68 121.88 1fwe s LEU 245 Ca 0.04 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1fwe s LEU 245 Cb -0.12 -1.13 0.10 0.00 0.50 0.00 0.00 46.19 45.55 1fwe s LEU 245 CO 0.01 0.21 0.10 -2.28 -1.32 0.00 0.00 176.35 173.08 1fwe s HIS 246 N -0.15 2.37 1.14 5.38 5.65 -0.44 -1.36 115.29 127.87 1fwe s HIS 246 Ca -0.01 -2.22 -0.17 0.00 0.25 0.00 0.00 55.06 52.91 1fwe s HIS 246 Cb -0.11 -2.11 0.26 0.00 -1.18 0.00 0.00 32.58 29.43 1fwe s HIS 246 CO 0.02 -0.88 1.11 -1.54 -0.65 0.00 0.00 174.74 172.80 1fwe s SER 247 N 1.21 1.48 -0.81 9.88 1.04 -1.26 -2.20 113.70 123.05 1fwe s SER 247 Ca 0.11 0.78 -0.25 0.00 0.48 0.00 0.00 55.95 57.07 1fwe s SER 247 Cb -0.19 -1.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.74 1fwe s SER 247 CO -0.17 -3.79 1.91 -0.62 0.98 0.00 0.00 173.24 171.55 1fwe s ASP 248 N -3.79 5.20 0.23 7.02 -1.08 -1.26 -3.73 116.67 119.26 1fwe s ASP 248 Ca 0.69 -0.35 -0.07 0.00 -0.52 0.00 0.00 52.55 52.30 1fwe s ASP 248 Cb -0.12 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 39.00 1fwe s ASP 248 CO 0.56 -2.61 1.86 0.74 0.52 0.00 0.00 175.17 176.24 1fwe h THR 249 N 7.13 1.26 0.00 1.71 2.02 -1.93 -2.53 112.91 120.57 1fwe h THR 249 Ca -0.02 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1fwe h THR 249 Cb 1.06 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1fwe h THR 249 CO 1.21 0.28 0.00 0.18 0.37 0.00 0.00 175.52 177.57 1fwe n LEU 250 N -4.35 0.05 -2.02 2.58 4.77 -1.26 -2.82 117.00 113.95 1fwe n LEU 250 Ca 0.10 0.51 -0.19 0.00 -0.03 0.00 0.00 56.01 56.40 1fwe n LEU 250 Cb 0.08 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 1fwe n LEU 250 CO 0.39 -0.31 -0.21 0.59 -1.33 0.00 0.00 177.39 176.51 1fwe n ASN 251 N -1.56 -5.22 -0.31 -1.43 3.02 -0.96 -4.88 115.26 103.93 1fwe n ASN 251 Ca 0.03 0.23 -0.04 0.00 -0.03 0.00 0.00 54.58 54.76 1fwe n ASN 251 Cb 0.15 -4.49 0.10 0.00 -0.61 0.00 0.00 39.78 34.93 1fwe n ASN 251 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1fwe h GLU 252 N 0.00 1.21 0.00 3.52 4.81 -1.89 -3.11 114.58 119.13 1fwe h GLU 252 Ca -0.42 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1fwe h GLU 252 Cb 1.28 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1fwe h GLU 252 CO 0.54 0.92 -1.00 -1.13 -0.73 0.00 0.00 179.01 177.61 1fwe n SER 253 N -4.32 0.96 0.00 1.04 3.41 -1.26 -5.05 113.62 108.40 1fwe n SER 253 Ca 0.09 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1fwe n SER 253 Cb 0.12 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1fwe n SER 253 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fwe n GLY 254 N 1.48 1.94 1.53 5.00 0.00 -1.18 -4.92 105.19 109.05 1fwe n GLY 254 Ca 0.04 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 1fwe n GLY 254 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fwe n PHE 255 N -1.09 -3.64 -0.31 1.61 0.99 -1.26 -4.34 117.46 109.41 1fwe n PHE 255 Ca 0.00 -0.57 -0.02 0.00 -0.00 0.00 0.00 57.45 56.86 1fwe n PHE 255 Cb 0.00 -0.35 0.10 0.00 -1.00 0.00 0.00 39.48 38.23 1fwe n PHE 255 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 1fwe h VAL 256 N -0.93 1.16 -0.04 -4.37 3.04 -1.93 -1.78 116.25 111.40 1fwe h VAL 256 Ca -0.15 -0.38 0.01 0.00 -1.01 0.00 0.00 66.70 65.17 1fwe h VAL 256 Cb 0.47 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 29.72 1fwe h VAL 256 CO 0.13 0.20 0.04 1.05 -1.01 0.00 0.00 177.57 177.98 1fwe h GLU 257 N 1.10 0.00 -0.00 4.17 9.09 -1.96 -0.89 114.58 126.08 1fwe h GLU 257 Ca 0.33 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.74 1fwe h GLU 257 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 1fwe h GLU 257 CO -0.10 0.00 -0.01 -0.44 0.05 0.00 0.00 179.01 178.51 1fwe h ASP 258 N 0.00 0.02 -0.47 3.06 3.32 -1.68 -1.75 116.42 118.91 1fwe h ASP 258 Ca 0.02 -0.60 0.06 0.00 0.02 0.00 0.00 57.03 56.53 1fwe h ASP 258 Cb 0.10 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1fwe h ASP 258 CO -0.00 0.61 0.19 0.74 -1.72 0.00 0.00 179.24 179.06 1fwe h THR 259 N -0.58 0.87 -0.75 0.35 2.02 -1.24 0.11 112.91 113.70 1fwe h THR 259 Ca -0.00 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1fwe h THR 259 Cb 0.61 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1fwe h THR 259 CO 0.00 0.07 0.50 -0.07 0.37 0.00 0.00 175.52 176.39 1fwe h LEU 260 N 0.37 0.81 -0.37 2.58 3.38 -1.18 -0.35 115.31 120.56 1fwe h LEU 260 Ca 0.22 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 1fwe h LEU 260 Cb 0.20 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1fwe h LEU 260 CO -0.21 0.57 -0.42 0.00 0.09 0.00 0.00 178.44 178.47 1fwe h ALA 261 N 1.55 0.55 -0.82 1.53 0.00 -0.28 -2.57 119.26 119.23 1fwe h ALA 261 Ca 0.29 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1fwe h ALA 261 Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1fwe h ALA 261 CO -0.08 0.68 0.42 0.00 0.00 0.00 0.00 179.25 180.27 1fwe h ALA 262 N 0.76 1.19 -0.48 0.00 0.00 0.14 -1.88 119.26 118.98 1fwe h ALA 262 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1fwe h ALA 262 Cb 1.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1fwe h ALA 262 CO 0.10 0.63 0.20 0.82 0.00 0.00 0.00 179.25 181.00 1fwe h ILE 263 N 1.15 1.18 -6.08 0.00 2.04 -0.94 -3.41 117.51 111.45 1fwe h ILE 263 Ca 0.28 -0.54 -0.43 0.00 1.00 0.00 0.00 64.86 65.18 1fwe h ILE 263 Cb 0.08 0.59 0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1fwe h ILE 263 CO -0.04 0.21 -0.76 0.61 0.00 0.00 0.00 178.15 178.17 1fwe n GLY 264 N -1.15 -0.44 2.74 5.37 0.00 -0.71 -2.38 105.19 108.62 1fwe n GLY 264 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1fwe n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fwe n GLY 265 N -1.67 0.38 3.86 -0.02 0.00 -1.26 -5.00 105.19 101.47 1fwe n GLY 265 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1fwe n GLY 265 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwe s ARG 266 N -0.71 3.93 0.30 1.61 0.52 -1.00 -4.78 118.95 118.82 1fwe s ARG 266 Ca 0.00 0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 55.56 1fwe s ARG 266 Cb 0.00 -2.38 -0.11 0.00 0.52 0.00 0.00 34.95 32.98 1fwe s ARG 266 CO 0.00 0.04 1.56 0.99 0.02 0.00 0.00 175.30 177.92 1fwe s THR 267 N -2.18 2.13 -0.25 0.02 2.01 -1.26 -4.78 115.64 111.33 1fwe s THR 267 Ca 0.54 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 1fwe s THR 267 Cb -0.10 -3.07 0.07 0.00 0.01 0.00 0.00 72.50 69.41 1fwe s THR 267 CO 0.23 0.02 0.66 -0.51 -0.69 0.00 0.00 174.62 174.33 1fwe s ILE 268 N -0.17 -0.00 -0.37 1.82 2.07 -0.88 -4.70 121.20 118.97 1fwe s ILE 268 Ca 0.61 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.67 1fwe s ILE 268 Cb -0.47 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.20 1fwe s ILE 268 CO 0.50 0.00 0.52 -2.28 -1.91 0.00 0.00 174.94 171.77 1fwe s HIS 269 N 0.65 3.16 -0.24 3.50 5.65 0.02 -1.31 115.29 126.72 1fwe s HIS 269 Ca -0.02 0.10 -0.20 0.00 0.25 0.00 0.00 55.06 55.19 1fwe s HIS 269 Cb -0.05 -2.97 -0.02 0.00 -1.18 0.00 0.00 32.58 28.35 1fwe s HIS 269 CO -0.04 -0.59 0.60 0.95 -0.65 0.00 0.00 174.74 175.01 1fwe s THR 270 N 2.42 5.02 0.41 0.89 -4.23 -0.59 -0.58 115.64 118.98 1fwe s THR 270 Ca 0.19 1.10 -0.23 0.00 -1.18 0.00 0.00 61.69 61.56 1fwe s THR 270 Cb -0.15 -3.91 -0.10 0.00 1.34 0.00 0.00 72.50 69.67 1fwe s THR 270 CO 0.14 0.07 0.98 -0.36 -0.54 0.00 0.00 174.62 174.91 1fwe s PHE 271 N 2.24 3.35 -0.65 3.99 0.08 -0.46 -2.46 117.98 124.06 1fwe s PHE 271 Ca 0.26 1.66 -0.18 0.00 0.12 0.00 0.00 56.93 58.78 1fwe s PHE 271 Cb -0.16 -2.96 0.03 0.00 -0.57 0.00 0.00 43.02 39.36 1fwe s PHE 271 CO 0.09 -0.25 0.37 -2.39 -0.10 0.00 0.00 175.22 172.94 1fwe n HIS 272 N -0.27 -0.77 0.25 0.36 1.44 -1.01 -4.75 115.22 110.47 1fwe n HIS 272 Ca 0.06 0.05 0.12 0.00 -2.01 0.00 0.00 57.72 55.94 1fwe n HIS 272 Cb 0.52 -1.51 0.67 0.00 0.12 0.00 0.00 29.99 29.79 1fwe n HIS 272 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 1fwe h THR 273 N -0.04 0.00 -0.16 0.61 2.02 -1.39 -1.62 112.91 112.33 1fwe h THR 273 Ca -0.39 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.65 1fwe h THR 273 Cb 0.77 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1fwe h THR 273 CO 0.28 0.00 -0.50 -0.08 0.37 0.00 0.00 175.52 175.59 1fwe h GLU 274 N 0.00 0.44 0.00 6.66 4.22 -1.85 -2.61 114.58 121.44 1fwe h GLU 274 Ca 0.00 -0.26 0.00 0.00 0.08 0.00 0.00 59.36 59.18 1fwe h GLU 274 Cb 0.44 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1fwe h GLU 274 CO 0.00 0.84 0.00 0.41 -2.18 0.00 0.00 179.01 178.08 1fwe n GLY 275 N 0.12 0.94 0.28 1.92 0.00 -0.61 -4.42 105.19 103.43 1fwe n GLY 275 Ca -0.02 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1fwe n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwe h ALA 276 N 0.00 1.08 0.00 4.61 0.00 -1.81 0.08 119.26 123.21 1fwe h ALA 276 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1fwe h ALA 276 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1fwe h ALA 276 CO 0.00 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1fwe n GLY 277 N -1.31 -1.20 0.00 0.00 0.00 -1.26 -4.87 105.19 96.55 1fwe n GLY 277 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1fwe n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fwe n GLY 278 N 0.71 4.72 0.00 -0.02 0.00 0.01 -5.04 105.19 105.57 1fwe n GLY 278 Ca 0.06 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1fwe n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fwe n GLY 279 N -1.91 4.14 2.69 -0.02 0.00 -1.24 -4.40 105.19 104.45 1fwe n GLY 279 Ca 0.00 -1.55 -0.49 0.00 0.00 0.00 0.00 46.02 43.97 1fwe n GLY 279 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fwe n HIS 280 N -1.69 1.08 -3.00 1.61 8.25 -1.22 -4.09 115.22 116.15 1fwe n HIS 280 Ca 0.00 0.71 -0.40 0.00 -0.26 0.00 0.00 57.72 57.77 1fwe n HIS 280 Cb 0.00 -1.78 -0.05 0.00 1.12 0.00 0.00 29.99 29.28 1fwe n HIS 280 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fwe s ALA 281 N 3.86 3.34 -0.87 -1.41 0.00 -1.13 -1.77 121.76 123.77 1fwe s ALA 281 Ca 0.90 0.22 0.12 0.00 0.00 0.00 0.00 51.96 53.19 1fwe s ALA 281 Cb -1.18 -2.99 0.35 0.00 0.00 0.00 0.00 23.12 19.31 1fwe s ALA 281 CO 0.56 -0.04 1.29 -0.35 0.00 0.00 0.00 175.76 177.23 1fwe n PRO 282 N 3.38 2.89 -0.86 0.00 -0.04 -1.26 -4.94 135.00 134.17 1fwe n PRO 282 Ca -0.01 -2.18 -0.07 0.00 -0.04 0.00 0.00 63.50 61.19 1fwe n PRO 282 Cb 0.51 -1.36 0.20 0.00 -0.04 0.00 0.00 33.50 32.81 1fwe n PRO 282 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fwe n ASP 283 N 0.44 2.71 0.29 3.54 5.68 -1.06 -4.61 116.55 123.54 1fwe n ASP 283 Ca 0.13 -3.73 0.17 0.00 -0.50 0.00 0.00 54.79 50.86 1fwe n ASP 283 Cb 0.50 -0.67 0.83 0.00 -1.14 0.00 0.00 41.12 40.64 1fwe n ASP 283 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1fwe h ILE 284 N 1.05 0.18 0.00 2.12 6.09 -1.62 -2.72 117.51 122.61 1fwe h ILE 284 Ca 0.28 -0.43 -0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1fwe h ILE 284 Cb 1.84 1.35 -0.00 0.00 0.47 0.00 0.00 36.82 40.48 1fwe h ILE 284 CO 0.49 0.05 -0.02 -0.29 -3.07 0.00 0.00 178.15 175.31 1fwe h ILE 285 N 0.00 0.59 0.00 2.19 2.10 -1.67 -2.06 117.51 118.66 1fwe h ILE 285 Ca -0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1fwe h ILE 285 Cb 0.35 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 1fwe h ILE 285 CO 0.01 0.02 0.00 0.35 -1.08 0.00 0.00 178.15 177.44 1fwe n THR 286 N -3.91 1.32 0.25 2.19 -2.24 -1.03 -2.55 114.28 108.31 1fwe n THR 286 Ca -0.03 0.50 0.09 0.00 -2.27 0.00 0.00 64.05 62.33 1fwe n THR 286 Cb 0.10 -1.44 0.65 0.00 -2.10 0.00 0.00 70.33 67.53 1fwe n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fwe h ALA 287 N 2.12 2.01 0.00 6.98 0.00 -1.60 -2.66 119.26 126.12 1fwe h ALA 287 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fwe h ALA 287 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1fwe h ALA 287 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1fwe h ALA 289 N 2.40 0.61 -2.55 0.00 0.00 -1.67 -3.38 119.26 114.67 1fwe h ALA 289 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1fwe h ALA 289 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1fwe h ALA 289 CO 0.00 0.00 0.18 -1.01 0.00 0.00 0.00 179.25 178.42 1fwe s HIS 290 N -3.33 3.72 0.29 0.00 3.76 -0.73 -4.66 115.29 114.33 1fwe s HIS 290 Ca 0.01 1.54 0.23 0.00 -0.15 0.00 0.00 55.06 56.69 1fwe s HIS 290 Cb 0.09 -2.73 1.07 0.00 1.11 0.00 0.00 32.58 32.12 1fwe s HIS 290 CO 0.76 0.35 1.91 -1.00 -0.85 0.00 0.00 174.74 175.91 1fwe h PRO 291 N 3.56 0.00 -0.01 8.40 0.13 -1.92 -3.17 132.00 139.00 1fwe h PRO 291 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1fwe h PRO 291 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1fwe h PRO 291 CO 0.65 0.23 -0.44 0.27 -0.23 0.00 0.00 178.00 178.48 1fwe n ASN 292 N -3.61 0.98 -4.69 1.44 6.94 -1.26 -0.71 115.26 114.34 1fwe n ASN 292 Ca -0.01 -0.77 -0.38 0.00 -0.02 0.00 0.00 54.58 53.40 1fwe n ASN 292 Cb 0.36 0.30 -0.07 0.00 -2.36 0.00 0.00 39.78 38.02 1fwe n ASN 292 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1fwe s ILE 293 N -2.71 5.20 -0.44 1.53 -1.09 -1.20 -2.08 121.20 120.42 1fwe s ILE 293 Ca 0.18 0.77 -0.07 0.00 -2.23 0.00 0.00 60.65 59.30 1fwe s ILE 293 Cb 0.18 -3.75 0.11 0.00 -1.58 0.00 0.00 42.46 37.43 1fwe s ILE 293 CO 0.62 0.28 0.27 -0.76 -1.23 0.00 0.00 174.94 174.13 1fwe s LEU 294 N 1.04 5.43 0.02 2.97 1.43 -0.43 -4.35 118.68 124.79 1fwe s LEU 294 Ca 0.21 -1.90 -0.23 0.00 -1.03 0.00 0.00 54.13 51.18 1fwe s LEU 294 Cb -0.15 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1fwe s LEU 294 CO 0.08 -0.61 0.70 -2.16 0.23 0.00 0.00 176.35 174.59 1fwe s PRO 295 N 1.28 4.43 0.10 1.29 0.04 -1.26 -1.54 135.00 139.34 1fwe s PRO 295 Ca 0.06 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.06 1fwe s PRO 295 Cb -0.24 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 1fwe s PRO 295 CO -0.02 0.29 -0.08 -1.54 0.04 0.00 0.00 177.00 175.69 1fwe s SER 296 N -0.01 1.34 0.15 6.66 1.04 -1.03 -1.24 113.70 120.60 1fwe s SER 296 Ca 0.36 -0.93 0.09 0.00 0.48 0.00 0.00 55.95 55.94 1fwe s SER 296 Cb -0.19 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 1fwe s SER 296 CO 0.20 -0.37 -0.12 -0.44 0.98 0.00 0.00 173.24 173.49 1fwe s SER 297 N -2.83 4.17 0.43 7.02 0.01 -0.20 -1.36 113.70 120.93 1fwe s SER 297 Ca 0.10 -0.55 -0.00 0.00 1.31 0.00 0.00 55.95 56.81 1fwe s SER 297 Cb 0.02 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 1fwe s SER 297 CO -0.02 0.13 0.66 0.42 0.41 0.00 0.00 173.24 174.84 1fwe s THR 298 N -1.50 4.26 -0.70 1.44 -4.23 -1.26 -0.46 115.64 113.19 1fwe s THR 298 Ca 0.23 -0.44 0.25 0.00 -1.18 0.00 0.00 61.69 60.54 1fwe s THR 298 Cb -0.10 -3.58 0.13 0.00 1.34 0.00 0.00 72.50 70.30 1fwe s THR 298 CO 0.14 -0.41 1.49 -0.46 -0.54 0.00 0.00 174.62 174.84 1fwe n ASN 299 N -2.04 0.71 0.27 3.99 0.23 -0.55 -4.27 115.26 113.59 1fwe n ASN 299 Ca 0.00 0.26 0.14 0.00 -0.53 0.00 0.00 54.58 54.46 1fwe n ASN 299 Cb 0.57 -0.17 0.76 0.00 -2.08 0.00 0.00 39.78 38.86 1fwe n ASN 299 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1fwe h PRO 300 N 0.00 0.00 -0.01 -0.53 0.13 -1.82 -2.06 132.00 127.71 1fwe h PRO 300 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1fwe h PRO 300 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1fwe h PRO 300 CO 0.00 0.10 -0.08 0.25 -0.23 0.00 0.00 178.00 178.04 1fwe n THR 301 N -3.50 0.00 -3.70 1.56 -2.24 -1.26 -4.81 114.28 100.34 1fwe n THR 301 Ca -0.01 -0.20 -0.38 0.00 -2.27 0.00 0.00 64.05 61.18 1fwe n THR 301 Cb 0.24 0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 68.78 1fwe n THR 301 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1fwe s LEU 302 N -2.17 3.96 0.56 3.22 1.43 -0.78 -3.43 118.68 121.47 1fwe s LEU 302 Ca 0.34 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1fwe s LEU 302 Cb 0.20 -1.96 0.08 0.00 0.03 0.00 0.00 46.19 44.55 1fwe s LEU 302 CO 0.40 -0.17 0.77 -2.16 0.23 0.00 0.00 176.35 175.41 1fwe s PRO 303 N 1.58 2.34 -0.19 1.29 0.04 -1.26 -4.84 135.00 133.95 1fwe s PRO 303 Ca 0.04 -1.63 -0.29 0.00 0.04 0.00 0.00 61.00 59.17 1fwe s PRO 303 Cb -0.17 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1fwe s PRO 303 CO 0.05 -0.82 1.81 -0.47 0.04 0.00 0.00 177.00 177.61 1fwe s TYR 304 N -2.65 1.76 0.39 0.56 5.04 -1.22 -4.96 117.35 116.27 1fwe s TYR 304 Ca 0.61 0.39 0.04 0.00 -2.44 0.00 0.00 57.07 55.67 1fwe s TYR 304 Cb -0.06 -4.03 -0.04 0.00 0.35 0.00 0.00 41.96 38.18 1fwe s TYR 304 CO 0.38 -3.58 0.07 0.95 -1.34 0.00 0.00 175.55 172.04 1fwe s THR 305 N 5.86 1.00 0.49 4.34 -4.23 -1.26 -1.14 115.64 120.70 1fwe s THR 305 Ca 0.81 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.46 1fwe s THR 305 Cb -0.29 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.28 1fwe s THR 305 CO 0.33 0.00 2.11 -0.07 -0.54 0.00 0.00 174.62 176.45 1fwe h LEU 306 N 1.84 0.09 -1.08 4.79 3.38 -1.30 -2.90 115.31 120.14 1fwe h LEU 306 Ca -0.39 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1fwe h LEU 306 Cb 1.27 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1fwe h LEU 306 CO 0.66 0.09 -0.32 0.59 0.09 0.00 0.00 178.44 179.55 1fwe n ASN 307 N -4.50 1.99 0.05 -0.43 3.02 -1.26 -4.65 115.26 109.49 1fwe n ASN 307 Ca -0.02 -1.49 -0.13 0.00 -0.03 0.00 0.00 54.58 52.91 1fwe n ASN 307 Cb 0.11 0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 39.51 1fwe n ASN 307 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1fwe h THR 308 N 2.63 0.17 -0.28 3.41 2.02 -1.89 -2.32 112.91 116.64 1fwe h THR 308 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1fwe h THR 308 Cb 0.74 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1fwe h THR 308 CO 0.00 0.00 0.14 0.40 0.37 0.00 0.00 175.52 176.43 1fwe h ILE 309 N -0.54 1.15 -0.50 3.11 1.08 -1.82 -2.75 117.51 117.23 1fwe h ILE 309 Ca 0.06 -0.41 0.08 0.00 -0.39 0.00 0.00 64.86 64.19 1fwe h ILE 309 Cb 0.63 0.90 -0.06 0.00 -3.07 0.00 0.00 36.82 35.22 1fwe h ILE 309 CO -0.33 0.15 0.15 0.44 -0.69 0.00 0.00 178.15 177.87 1fwe h ASP 310 N 0.33 0.11 1.12 1.72 5.19 -1.82 -2.46 116.42 120.60 1fwe h ASP 310 Ca 0.10 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.53 1fwe h ASP 310 Cb 0.11 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1fwe h ASP 310 CO -0.01 0.09 -0.24 1.05 -3.12 0.00 0.00 179.24 177.01 1fwe h GLU 311 N 0.30 0.00 0.00 3.56 4.11 -1.37 -3.34 114.58 117.84 1fwe h GLU 311 Ca 0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.65 1fwe h GLU 311 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1fwe h GLU 311 CO -0.28 0.24 -0.10 0.45 0.07 0.00 0.00 179.01 179.39 1fwe h HIS 312 N 0.00 0.00 0.27 2.06 3.86 -1.13 -3.21 115.15 117.00 1fwe h HIS 312 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1fwe h HIS 312 Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1fwe h HIS 312 CO 0.00 0.10 -0.13 1.25 0.86 0.00 0.00 177.93 180.01 1fwe h LEU 313 N 0.00 -0.31 -1.36 2.43 5.85 -1.69 -2.53 115.31 117.71 1fwe h LEU 313 Ca -0.00 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1fwe h LEU 313 Cb 0.44 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1fwe h LEU 313 CO 0.01 0.08 -0.12 0.44 -0.34 0.00 0.00 178.44 178.51 1fwe h ASP 314 N -0.75 0.00 0.96 1.25 3.45 -1.83 -1.21 116.42 118.30 1fwe h ASP 314 Ca -0.04 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.31 1fwe h ASP 314 Cb 0.50 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.25 1fwe h ASP 314 CO 0.06 0.12 -0.54 -0.03 -1.57 0.00 0.00 179.24 177.28 1fwe h MET 315 N 0.00 0.00 -0.40 3.56 4.05 -1.58 -3.10 114.93 117.46 1fwe h MET 315 Ca -0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1fwe h MET 315 Cb 0.60 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 1fwe h MET 315 CO 0.02 0.54 0.10 1.25 0.23 0.00 0.00 176.91 179.05 1fwe h LEU 316 N 0.00 0.60 -8.63 3.39 7.12 -0.76 -3.45 115.31 113.57 1fwe h LEU 316 Ca -0.01 -0.23 -0.53 0.00 0.13 0.00 0.00 57.88 57.24 1fwe h LEU 316 Cb 1.17 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.13 1fwe h LEU 316 CO 0.07 0.67 1.58 0.23 -0.13 0.00 0.00 178.44 180.86 1fwe n MET 317 N -4.57 1.18 0.00 1.25 2.81 -1.12 -5.13 117.12 111.53 1fwe n MET 317 Ca -0.00 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 1fwe n MET 317 Cb 0.20 -3.04 0.00 0.00 -0.71 0.00 0.00 33.22 29.67 1fwe n MET 317 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1fwe n PHE 332 N 13.32 0.00 -0.32 2.03 7.35 -1.26 -5.15 117.46 133.43 1fwe n PHE 332 Ca 0.39 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 57.13 1fwe n PHE 332 Cb 0.42 -0.13 0.24 0.00 0.35 0.00 0.00 39.48 40.35 1fwe n PHE 332 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1fwe h ALA 333 N 0.00 1.52 0.00 3.13 0.00 -1.99 0.17 119.26 122.09 1fwe h ALA 333 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1fwe h ALA 333 Cb 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1fwe h ALA 333 CO 0.00 0.33 -0.04 0.93 0.00 0.00 0.00 179.25 180.47 1fwe h GLU 334 N 1.03 0.00 0.00 0.00 5.08 -2.03 0.23 114.58 118.89 1fwe h GLU 334 Ca 0.41 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.60 1fwe h GLU 334 Cb 0.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1fwe h GLU 334 CO -0.17 0.04 -0.84 0.66 -1.00 0.00 0.00 179.01 177.70 1fwe h SER 335 N 0.00 0.00 0.08 1.42 4.64 -1.42 -3.36 113.55 114.91 1fwe h SER 335 Ca -0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.00 1fwe h SER 335 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1fwe h SER 335 CO 0.01 0.84 -1.71 -0.09 -0.87 0.00 0.00 176.83 175.01 1fwe h ARG 336 N 0.00 0.18 -4.81 4.77 2.43 -1.07 -3.41 114.38 112.47 1fwe h ARG 336 Ca -0.01 -0.31 -0.69 0.00 -0.81 0.00 0.00 59.98 58.17 1fwe h ARG 336 Cb 1.56 0.11 -0.19 0.00 -0.42 0.00 0.00 29.97 31.04 1fwe h ARG 336 CO 0.11 1.15 0.18 0.42 -1.51 0.00 0.00 179.97 180.32 1fwe s ILE 337 N -2.49 4.74 -0.15 1.20 1.01 0.68 -3.81 121.20 122.38 1fwe s ILE 337 Ca -0.24 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.54 1fwe s ILE 337 Cb 0.06 -4.52 0.01 0.00 0.01 0.00 0.00 42.46 38.02 1fwe s ILE 337 CO 0.71 -1.17 -0.20 -0.13 0.00 0.00 0.00 174.94 174.15 1fwe s ARG 338 N 2.90 3.05 0.28 2.79 0.52 -1.26 -4.68 118.95 122.55 1fwe s ARG 338 Ca 0.13 -0.83 -0.04 0.00 -0.52 0.00 0.00 55.73 54.48 1fwe s ARG 338 Cb -0.23 -2.51 0.36 0.00 0.52 0.00 0.00 34.95 33.10 1fwe s ARG 338 CO 0.07 -0.05 1.94 -0.09 0.02 0.00 0.00 175.30 177.19 1fwe h ARG 339 N 7.46 1.17 -0.78 3.54 2.43 -1.95 -1.21 114.38 125.03 1fwe h ARG 339 Ca -0.35 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1fwe h ARG 339 Cb 1.18 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 1fwe h ARG 339 CO 0.57 0.79 0.51 0.93 -1.51 0.00 0.00 179.97 181.26 1fwe h GLU 340 N 1.19 1.04 0.08 0.20 3.07 -1.92 0.19 114.58 118.43 1fwe h GLU 340 Ca 0.32 -0.07 -0.27 0.00 -0.50 0.00 0.00 59.36 58.84 1fwe h GLU 340 Cb -0.10 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.57 1fwe h GLU 340 CO -0.06 0.70 -1.31 1.79 -1.40 0.00 0.00 179.01 178.73 1fwe h THR 341 N 1.06 1.39 -0.52 1.13 1.35 -1.71 -3.06 112.91 112.56 1fwe h THR 341 Ca 0.29 -3.04 -0.07 0.00 -0.55 0.00 0.00 66.41 63.03 1fwe h THR 341 Cb -0.10 2.81 -0.02 0.00 -1.73 0.00 0.00 68.15 69.12 1fwe h THR 341 CO -0.06 0.86 0.06 0.40 -0.25 0.00 0.00 175.52 176.53 1fwe h ILE 342 N 0.05 1.25 -0.52 6.82 2.04 -1.01 -1.71 117.51 124.42 1fwe h ILE 342 Ca -0.15 -0.98 -0.10 0.00 1.00 0.00 0.00 64.86 64.63 1fwe h ILE 342 Cb 1.94 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1fwe h ILE 342 CO 0.16 0.35 -0.07 0.00 0.00 0.00 0.00 178.15 178.59 1fwe h ALA 343 N 0.97 0.88 -0.33 1.87 0.00 -1.06 -3.19 119.26 118.40 1fwe h ALA 343 Ca 0.16 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1fwe h ALA 343 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1fwe h ALA 343 CO 0.01 0.64 -0.30 0.00 0.00 0.00 0.00 179.25 179.61 1fwe h ALA 344 N 1.05 0.86 -0.98 0.00 0.00 -1.41 -3.24 119.26 115.53 1fwe h ALA 344 Ca 0.14 -0.40 0.22 0.00 0.00 0.00 0.00 54.91 54.88 1fwe h ALA 344 Cb 0.60 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 1fwe h ALA 344 CO 0.04 0.63 0.57 1.49 0.00 0.00 0.00 179.25 181.98 1fwe h GLU 345 N 0.60 0.60 -0.58 0.00 4.81 -1.30 -0.61 114.58 118.10 1fwe h GLU 345 Ca 0.07 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1fwe h GLU 345 Cb 0.80 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1fwe h GLU 345 CO 0.07 0.40 0.30 -0.44 -0.73 0.00 0.00 179.01 178.60 1fwe h ASP 346 N 0.62 0.75 -0.22 1.04 5.19 -1.70 -2.24 116.42 119.85 1fwe h ASP 346 Ca 0.60 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.87 1fwe h ASP 346 Cb 1.07 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 1fwe h ASP 346 CO -0.45 0.65 0.03 0.58 -3.12 0.00 0.00 179.24 176.93 1fwe h VAL 347 N 0.79 1.23 -0.20 -1.35 2.07 -1.31 -2.32 116.25 115.15 1fwe h VAL 347 Ca 0.20 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1fwe h VAL 347 Cb 0.08 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1fwe h VAL 347 CO -0.03 0.24 0.16 -0.07 0.02 0.00 0.00 177.57 177.89 1fwe h LEU 348 N 0.17 0.00 -0.07 2.57 3.38 -1.04 0.15 115.31 120.48 1fwe h LEU 348 Ca 0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 1fwe h LEU 348 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1fwe h LEU 348 CO 0.00 0.00 -0.82 0.45 0.09 0.00 0.00 178.44 178.16 1fwe h HIS 349 N 0.00 0.97 -0.31 1.13 3.86 -1.12 0.12 115.15 119.79 1fwe h HIS 349 Ca 0.10 -0.47 -0.06 0.00 -1.16 0.00 0.00 60.37 58.77 1fwe h HIS 349 Cb 0.42 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 1fwe h HIS 349 CO 0.00 1.30 -0.07 0.22 0.86 0.00 0.00 177.93 180.24 1fwe h ASP 350 N 0.36 0.48 1.84 2.45 3.58 -0.27 -2.60 116.42 122.27 1fwe h ASP 350 Ca -0.08 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1fwe h ASP 350 Cb 1.47 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1fwe h ASP 350 CO 0.17 0.60 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.94 1fwe h LEU 351 N 0.47 0.00 0.00 2.28 3.38 -0.93 -3.48 115.31 117.04 1fwe h LEU 351 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1fwe h LEU 351 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1fwe h LEU 351 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1fwe n GLY 352 N 1.13 0.92 0.09 0.83 0.00 -0.90 -4.73 105.19 102.53 1fwe n GLY 352 Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1fwe n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwe h ALA 353 N 0.00 0.26 -3.15 4.61 0.00 -0.99 -2.67 119.26 117.32 1fwe h ALA 353 Ca 0.00 -0.87 -0.62 0.00 0.00 0.00 0.00 54.91 53.42 1fwe h ALA 353 Cb 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.58 1fwe h ALA 353 CO 0.00 1.07 -0.51 -0.06 0.00 0.00 0.00 179.25 179.75 1fwe s PHE 354 N -2.76 3.32 -0.53 0.00 0.40 -1.03 -4.80 117.98 112.58 1fwe s PHE 354 Ca -0.02 0.21 0.21 0.00 -0.60 0.00 0.00 56.93 56.73 1fwe s PHE 354 Cb 0.09 -2.22 -0.28 0.00 0.51 0.00 0.00 43.02 41.12 1fwe s PHE 354 CO 0.85 0.12 0.69 0.43 0.70 0.00 0.00 175.22 178.00 1fwe n SER 355 N 4.03 0.57 -4.00 1.36 7.64 -0.38 -4.67 113.62 118.17 1fwe n SER 355 Ca -0.15 -0.52 -0.08 0.00 1.01 0.00 0.00 58.87 59.12 1fwe n SER 355 Cb 0.52 1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 65.09 1fwe n SER 355 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1fwe s LEU 356 N -3.69 2.12 0.07 -3.43 1.02 -0.96 -4.30 118.68 109.50 1fwe s LEU 356 Ca 0.00 -0.73 0.08 0.00 0.02 0.00 0.00 54.13 53.50 1fwe s LEU 356 Cb 0.15 0.39 -0.03 0.00 0.02 0.00 0.00 46.19 46.72 1fwe s LEU 356 CO 0.87 -0.53 -0.21 0.42 0.02 0.00 0.00 176.35 176.92 1fwe s THR 357 N -3.09 1.69 0.32 5.49 -4.23 -1.06 -1.04 115.64 113.73 1fwe s THR 357 Ca -0.01 -1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 59.09 1fwe s THR 357 Cb 0.02 -1.50 0.01 0.00 1.34 0.00 0.00 72.50 72.37 1fwe s THR 357 CO -0.07 0.09 0.52 -0.94 -0.54 0.00 0.00 174.62 173.68 1fwe s SER 358 N -1.49 0.51 -0.07 3.99 1.04 0.39 -4.70 113.70 113.37 1fwe s SER 358 Ca 0.07 -1.29 -0.05 0.00 0.48 0.00 0.00 55.95 55.16 1fwe s SER 358 Cb -0.09 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 1fwe s SER 358 CO 0.03 -1.31 -0.10 -1.54 0.98 0.00 0.00 173.24 171.30 1fwe n SER 359 N -1.13 0.87 -0.30 7.02 3.41 -1.26 -1.48 113.62 120.75 1fwe n SER 359 Ca -0.01 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1fwe n SER 359 Cb 0.61 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1fwe n SER 359 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1fwe n ASP 360 N -3.39 -1.05 -3.36 4.04 2.03 -0.81 -2.81 116.55 111.19 1fwe n ASP 360 Ca -0.04 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.79 1fwe n ASP 360 Cb 0.14 -0.26 -0.08 0.00 -0.72 0.00 0.00 41.12 40.20 1fwe n ASP 360 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1fwe n SER 361 N 0.59 0.76 -0.88 1.67 3.41 -1.22 -1.33 113.62 116.61 1fwe n SER 361 Ca 0.00 0.74 -0.10 0.00 -0.26 0.00 0.00 58.87 59.24 1fwe n SER 361 Cb 0.26 -0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 1fwe n SER 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fwe n GLN 362 N 3.92 -1.65 -3.02 4.33 6.02 -0.63 -4.14 117.38 122.20 1fwe n GLN 362 Ca 0.29 0.80 -0.16 0.00 -0.01 0.00 0.00 57.00 57.92 1fwe n GLN 362 Cb -0.04 -5.08 -0.01 0.00 1.02 0.00 0.00 30.24 26.12 1fwe n GLN 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fwe n ALA 363 N 0.97 2.57 -2.12 -1.58 0.00 -0.45 -4.87 120.51 115.04 1fwe n ALA 363 Ca -0.10 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 49.93 1fwe n ALA 363 Cb 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1fwe n ALA 363 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1fwe n MET 364 N 0.15 0.00 -3.60 0.00 2.81 -1.23 -4.91 117.12 110.34 1fwe n MET 364 Ca 0.21 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 56.03 1fwe n MET 364 Cb 0.69 -2.47 -0.05 0.00 -0.71 0.00 0.00 33.22 30.69 1fwe n MET 364 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1fwe s GLY 365 N -2.98 -0.16 -0.30 3.03 0.00 -0.96 -4.38 107.32 101.57 1fwe s GLY 365 Ca 0.00 2.25 -0.05 0.00 0.00 0.00 0.00 44.72 46.92 1fwe s GLY 365 CO 0.00 1.02 0.06 0.50 0.00 0.00 0.00 173.10 174.68 1fwe s ARG 366 N -1.18 2.85 0.46 2.90 0.52 -1.26 -1.61 118.95 121.63 1fwe s ARG 366 Ca 0.02 -1.01 0.18 0.00 -0.52 0.00 0.00 55.73 54.41 1fwe s ARG 366 Cb -0.01 -3.32 1.16 0.00 0.52 0.00 0.00 34.95 33.30 1fwe s ARG 366 CO -0.02 -0.52 1.96 -0.24 0.02 0.00 0.00 175.30 176.50 1fwe h VAL 367 N 6.06 0.80 -0.58 3.52 3.04 -1.92 -2.25 116.25 124.92 1fwe h VAL 367 Ca -0.28 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1fwe h VAL 367 Cb 1.10 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1fwe h VAL 367 CO 0.59 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 177.81 1fwe n GLY 368 N -1.56 2.84 0.21 3.17 0.00 -1.26 -4.41 105.19 104.18 1fwe n GLY 368 Ca 0.12 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.34 1fwe n GLY 368 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fwe n GLU 369 N 0.76 1.00 0.09 1.61 1.02 -0.84 -4.78 120.64 119.49 1fwe n GLU 369 Ca 0.26 -2.26 -0.13 0.00 -0.02 0.00 0.00 57.16 55.01 1fwe n GLU 369 Cb 1.08 -1.27 -0.08 0.00 -0.02 0.00 0.00 31.44 31.14 1fwe n GLU 369 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1fwe h VAL 370 N 1.67 0.94 -0.05 2.62 2.07 -1.77 -1.87 116.25 119.86 1fwe h VAL 370 Ca -0.00 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1fwe h VAL 370 Cb 1.10 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1fwe h VAL 370 CO 0.00 0.16 0.01 0.40 0.02 0.00 0.00 177.57 178.16 1fwe h ILE 371 N -0.60 1.21 -0.09 4.57 2.04 -1.89 -2.47 117.51 120.29 1fwe h ILE 371 Ca -0.02 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1fwe h ILE 371 Cb 0.45 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 1fwe h ILE 371 CO 0.04 0.18 -0.24 0.25 0.00 0.00 0.00 178.15 178.38 1fwe h LEU 372 N -0.16 -0.73 -1.42 1.44 6.46 -1.63 -2.31 115.31 116.97 1fwe h LEU 372 Ca 0.02 0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1fwe h LEU 372 Cb 0.28 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1fwe h LEU 372 CO 0.00 -0.29 -0.29 0.03 -0.62 0.00 0.00 178.44 177.26 1fwe h ARG 373 N -0.33 0.00 -0.65 1.25 3.08 -1.37 -1.99 114.38 114.37 1fwe h ARG 373 Ca 0.09 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1fwe h ARG 373 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1fwe h ARG 373 CO -0.27 0.29 0.07 1.15 -1.07 0.00 0.00 179.97 180.14 1fwe h THR 374 N 0.00 1.26 -0.03 2.04 2.02 -0.93 -1.65 112.91 115.62 1fwe h THR 374 Ca -0.00 -1.08 -0.15 0.00 0.77 0.00 0.00 66.41 65.95 1fwe h THR 374 Cb 0.53 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1fwe h THR 374 CO 0.04 0.40 -0.65 -0.50 0.37 0.00 0.00 175.52 175.18 1fwe h TRP 375 N 1.02 0.16 -0.43 3.16 4.06 -1.14 -2.37 115.95 120.41 1fwe h TRP 375 Ca 0.19 -0.07 -0.09 0.00 2.06 0.00 0.00 58.89 60.99 1fwe h TRP 375 Cb 0.48 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 1fwe h TRP 375 CO 0.04 0.74 -0.09 1.96 -3.56 0.00 0.00 178.44 177.53 1fwe h GLN 376 N 0.09 0.75 0.13 0.49 4.20 -1.04 -0.79 115.11 118.93 1fwe h GLN 376 Ca -0.01 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1fwe h GLN 376 Cb 1.17 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1fwe h GLN 376 CO 0.09 0.82 -0.06 0.28 -0.67 0.00 0.00 178.83 179.29 1fwe h VAL 377 N 0.68 1.01 -0.74 -0.54 2.07 -1.08 -1.45 116.25 116.21 1fwe h VAL 377 Ca 0.12 -0.61 0.14 0.00 0.82 0.00 0.00 66.70 67.18 1fwe h VAL 377 Cb 0.55 1.39 -0.10 0.00 -1.52 0.00 0.00 31.29 31.62 1fwe h VAL 377 CO 0.03 0.14 0.26 0.00 0.02 0.00 0.00 177.57 178.03 1fwe h ALA 378 N 0.36 1.02 0.24 1.67 0.00 -1.19 0.44 119.26 121.80 1fwe h ALA 378 Ca -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1fwe h ALA 378 Cb 0.37 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1fwe h ALA 378 CO 0.03 -0.25 -0.12 1.25 0.00 0.00 0.00 179.25 180.17 1fwe h HIS 379 N 0.39 -0.30 0.00 0.00 6.17 -1.06 -0.49 115.15 119.86 1fwe h HIS 379 Ca 0.41 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.47 1fwe h HIS 379 Cb 0.64 0.10 -0.00 0.00 2.52 0.00 0.00 27.41 30.67 1fwe h HIS 379 CO -0.19 -0.13 -0.03 0.00 0.71 0.00 0.00 177.93 178.29 1fwe h ARG 380 N -0.41 0.00 0.11 5.26 2.47 -0.31 -1.40 114.38 120.09 1fwe h ARG 380 Ca -0.03 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.42 1fwe h ARG 380 Cb 0.31 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1fwe h ARG 380 CO 0.06 0.03 -1.25 0.52 0.56 0.00 0.00 179.97 179.89 1fwe h MET 381 N 0.00 0.22 -0.34 0.04 2.86 -0.69 -1.95 114.93 115.07 1fwe h MET 381 Ca -0.00 -0.38 -0.03 0.00 -2.06 0.00 0.00 59.70 57.22 1fwe h MET 381 Cb 0.06 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1fwe h MET 381 CO 0.00 1.16 0.09 -0.22 1.06 0.00 0.00 176.91 179.01 1fwe h LYS 382 N 0.06 0.55 -0.70 1.72 3.64 -0.37 0.42 116.57 121.89 1fwe h LYS 382 Ca -0.13 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1fwe h LYS 382 Cb 1.95 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.66 1fwe h LYS 382 CO 0.19 0.59 0.31 0.28 -2.27 0.00 0.00 179.45 178.55 1fwe h VAL 383 N 0.40 1.24 0.08 2.00 2.07 -1.33 0.58 116.25 121.29 1fwe h VAL 383 Ca 0.11 -0.71 -0.29 0.00 0.82 0.00 0.00 66.70 66.63 1fwe h VAL 383 Cb 0.29 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1fwe h VAL 383 CO -0.00 0.29 -1.46 1.56 0.02 0.00 0.00 177.57 177.98 1fwe h GLN 384 N 0.99 0.17 0.00 1.57 4.20 -1.19 -3.40 115.11 117.44 1fwe h GLN 384 Ca 0.24 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1fwe h GLN 384 Cb 0.16 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1fwe h GLN 384 CO -0.03 1.00 -0.43 0.54 -0.67 0.00 0.00 178.83 179.25 1fwe n ARG 385 N -3.38 4.35 0.00 1.46 1.74 0.14 -5.07 116.66 115.90 1fwe n ARG 385 Ca -0.13 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1fwe n ARG 385 Cb 1.02 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 31.64 1fwe n ARG 385 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwe n GLY 386 N 1.30 -1.77 3.75 -0.13 0.00 0.19 -4.90 105.19 103.63 1fwe n GLY 386 Ca 0.01 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 1fwe n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwe s ALA 387 N -1.02 2.69 0.54 4.61 0.00 -1.26 -4.60 121.76 122.72 1fwe s ALA 387 Ca 0.00 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.07 1fwe s ALA 387 Cb 0.00 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 1fwe s ALA 387 CO 0.00 -1.41 1.02 -0.51 0.00 0.00 0.00 175.76 174.86 1fwe s LEU 388 N -3.77 3.63 0.60 0.00 1.43 -1.26 -4.91 118.68 114.39 1fwe s LEU 388 Ca 0.75 1.72 0.31 0.00 -1.03 0.00 0.00 54.13 55.87 1fwe s LEU 388 Cb -0.39 -4.53 1.82 0.00 0.03 0.00 0.00 46.19 43.13 1fwe s LEU 388 CO 0.45 -0.82 2.22 0.00 0.23 0.00 0.00 176.35 178.42 1fwe h ALA 389 N 0.89 1.56 0.00 4.21 0.00 -1.99 -1.44 119.26 122.49 1fwe h ALA 389 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1fwe h ALA 389 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1fwe h ALA 389 CO 0.59 -0.08 -0.06 0.39 0.00 0.00 0.00 179.25 180.09 1fwe n GLU 390 N -3.77 0.06 -1.96 0.00 4.71 -1.26 -4.91 120.64 113.51 1fwe n GLU 390 Ca -0.02 0.04 -0.40 0.00 -0.01 0.00 0.00 57.16 56.77 1fwe n GLU 390 Cb 0.15 -1.56 -0.00 0.00 -1.01 0.00 0.00 31.44 29.01 1fwe n GLU 390 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1fwe s GLU 391 N -3.02 4.01 -0.04 3.49 0.41 -0.54 -4.92 118.70 118.08 1fwe s GLU 391 Ca 0.13 2.30 0.02 0.00 -0.41 0.00 0.00 54.97 57.01 1fwe s GLU 391 Cb 0.17 -2.83 0.01 0.00 -1.78 0.00 0.00 34.13 29.70 1fwe s GLU 391 CO 0.56 -0.51 -0.07 -0.08 -0.49 0.00 0.00 175.26 174.67 1fwe s THR 392 N -1.20 0.70 0.00 3.63 -1.32 -1.26 -5.01 115.64 111.19 1fwe s THR 392 Ca 0.55 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1fwe s THR 392 Cb -0.41 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1fwe s THR 392 CO 0.54 0.24 0.00 0.61 -2.21 0.00 0.00 174.62 173.80 1fwe n GLY 393 N 3.64 -1.23 2.89 6.08 0.00 -1.26 -4.56 105.19 110.74 1fwe n GLY 393 Ca -0.22 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1fwe n GLY 393 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fwe n ASP 394 N -1.88 5.60 -3.67 1.61 2.03 -1.26 -4.89 116.55 114.09 1fwe n ASP 394 Ca 0.00 -3.21 -0.07 0.00 0.52 0.00 0.00 54.79 52.03 1fwe n ASP 394 Cb 0.00 -1.41 -0.01 0.00 -0.72 0.00 0.00 41.12 38.98 1fwe n ASP 394 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1fwe s ASN 395 N 0.01 -0.20 -0.29 1.67 4.22 -1.26 -5.00 114.94 114.09 1fwe s ASN 395 Ca 0.37 -0.70 0.10 0.00 -2.14 0.00 0.00 52.86 50.50 1fwe s ASN 395 Cb 0.09 0.73 0.57 0.00 1.28 0.00 0.00 41.25 43.92 1fwe s ASN 395 CO 0.03 -1.37 1.58 0.47 -2.04 0.00 0.00 177.10 175.77 1fwe n ASP 396 N -0.65 3.38 -0.21 3.54 8.00 -0.27 -4.76 116.55 125.58 1fwe n ASP 396 Ca -0.05 -3.48 -0.02 0.00 0.71 0.00 0.00 54.79 51.95 1fwe n ASP 396 Cb 0.59 -0.66 0.04 0.00 -0.02 0.00 0.00 41.12 41.07 1fwe n ASP 396 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1fwe h ASN 397 N 1.46 -0.83 -0.67 -2.24 4.21 -1.91 -0.47 115.58 115.13 1fwe h ASN 397 Ca 0.24 0.21 -0.05 0.00 1.21 0.00 0.00 56.30 57.90 1fwe h ASN 397 Cb 1.89 0.47 -0.03 0.00 -1.12 0.00 0.00 38.32 39.54 1fwe h ASN 397 CO 0.51 -0.26 0.20 0.15 -1.29 0.00 0.00 177.43 176.75 1fwe h PHE 398 N -0.08 1.08 -0.14 1.19 3.04 -1.91 -1.37 116.94 118.75 1fwe h PHE 398 Ca 0.27 -0.11 -0.05 0.00 3.98 0.00 0.00 57.97 62.06 1fwe h PHE 398 Cb 0.51 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1fwe h PHE 398 CO -0.57 0.87 -0.15 -0.09 -2.02 0.00 0.00 178.31 176.36 1fwe h ARG 399 N 0.97 0.22 -0.41 1.11 2.43 -1.71 -0.71 114.38 116.29 1fwe h ARG 399 Ca 0.21 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 1fwe h ARG 399 Cb 0.31 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1fwe h ARG 399 CO -0.01 0.37 -0.31 0.28 -1.51 0.00 0.00 179.97 178.80 1fwe h VAL 400 N 0.21 1.27 -0.42 0.20 2.07 -0.51 -2.18 116.25 116.89 1fwe h VAL 400 Ca 0.04 -1.47 -0.12 0.00 0.82 0.00 0.00 66.70 65.96 1fwe h VAL 400 Cb 0.40 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1fwe h VAL 400 CO 0.02 0.50 -0.24 0.11 0.02 0.00 0.00 177.57 177.98 1fwe h LYS 401 N 0.75 0.85 -0.67 1.57 1.57 -0.77 -0.64 116.57 119.24 1fwe h LYS 401 Ca 0.08 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1fwe h LYS 401 Cb 0.89 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 1fwe h LYS 401 CO 0.08 1.00 0.28 -0.09 -0.57 0.00 0.00 179.45 180.14 1fwe h ARG 402 N 0.73 0.99 0.11 3.15 2.43 -1.07 -2.72 114.38 118.00 1fwe h ARG 402 Ca 0.10 -0.18 -0.26 0.00 -0.81 0.00 0.00 59.98 58.83 1fwe h ARG 402 Cb 0.78 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1fwe h ARG 402 CO 0.06 0.82 -1.19 1.88 -1.51 0.00 0.00 179.97 180.04 1fwe h TYR 403 N 0.94 0.46 -0.12 2.20 -1.99 -1.28 -3.27 116.97 113.91 1fwe h TYR 403 Ca 0.22 -0.32 -0.10 0.00 2.00 0.00 0.00 58.73 60.53 1fwe h TYR 403 Cb 0.19 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 1fwe h TYR 403 CO 0.01 1.24 -0.38 0.97 -0.00 0.00 0.00 178.16 180.01 1fwe h ILE 404 N 0.08 1.29 0.00 -2.88 2.10 -1.13 -2.45 117.51 114.53 1fwe h ILE 404 Ca -0.12 -1.44 -0.01 0.00 1.08 0.00 0.00 64.86 64.38 1fwe h ILE 404 Cb 1.91 1.62 -0.00 0.00 -1.09 0.00 0.00 36.82 39.26 1fwe h ILE 404 CO 0.19 0.43 -0.03 0.00 -1.08 0.00 0.00 178.15 177.67 1fwe h ALA 405 N 1.39 1.64 -0.10 0.18 0.00 -1.54 -2.73 119.26 118.11 1fwe h ALA 405 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1fwe h ALA 405 Cb 0.77 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1fwe h ALA 405 CO 0.06 0.04 -0.11 0.87 0.00 0.00 0.00 179.25 180.10 1fwe h LYS 406 N 0.00 0.15 -0.05 0.00 1.57 -1.51 -2.05 116.57 114.69 1fwe h LYS 406 Ca -0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1fwe h LYS 406 Cb 0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1fwe h LYS 406 CO 0.00 0.27 -0.04 2.48 -0.57 0.00 0.00 179.45 181.59 1fwe n TYR 407 N -4.33 0.17 0.00 -1.35 0.18 -1.04 -2.55 117.16 108.24 1fwe n TYR 407 Ca -0.01 -1.03 0.00 0.00 1.88 0.00 0.00 57.90 58.73 1fwe n TYR 407 Cb 0.23 -0.19 0.00 0.00 -0.38 0.00 0.00 39.34 39.00 1fwe n TYR 407 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1fwe n THR 408 N -1.27 0.00 -0.14 -3.48 -2.24 -1.18 -0.44 114.28 105.53 1fwe n THR 408 Ca 0.17 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.84 1fwe n THR 408 Cb 0.69 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 1fwe n THR 408 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1fwe h ILE 409 N 0.00 1.28 -0.27 2.28 6.09 -1.45 -2.98 117.51 122.45 1fwe h ILE 409 Ca 0.00 -1.23 -0.01 0.00 -1.37 0.00 0.00 64.86 62.25 1fwe h ILE 409 Cb 0.00 1.21 -0.01 0.00 0.47 0.00 0.00 36.82 38.49 1fwe h ILE 409 CO 0.00 0.41 0.12 0.78 -3.07 0.00 0.00 178.15 176.40 1fwe h ASN 410 N 0.63 0.36 -0.74 2.19 2.35 -1.67 -1.02 115.58 117.68 1fwe h ASN 410 Ca 0.10 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1fwe h ASN 410 Cb 0.65 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.89 1fwe h ASN 410 CO 0.04 0.40 0.43 -0.65 -1.65 0.00 0.00 177.43 176.01 1fwe h PRO 411 N 0.30 1.03 -0.45 0.81 0.11 -1.77 -0.40 132.00 131.62 1fwe h PRO 411 Ca 0.09 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 1fwe h PRO 411 Cb 0.14 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1fwe h PRO 411 CO -0.01 0.74 0.08 0.00 -0.21 0.00 0.00 178.00 178.60 1fwe h ALA 412 N 1.44 1.29 -0.04 -0.75 0.00 -1.27 -2.50 119.26 117.42 1fwe h ALA 412 Ca 0.27 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1fwe h ALA 412 Cb -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1fwe h ALA 412 CO -0.05 0.49 -0.74 -0.07 0.00 0.00 0.00 179.25 178.89 1fwe h LEU 413 N 0.67 0.72 -1.59 0.00 3.38 -0.55 0.60 115.31 118.55 1fwe h LEU 413 Ca 0.15 -0.71 0.02 0.00 0.09 0.00 0.00 57.88 57.43 1fwe h LEU 413 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1fwe h LEU 413 CO 0.00 1.33 0.30 0.74 0.09 0.00 0.00 178.44 180.90 1fwe h THR 414 N 0.18 1.08 -0.48 0.22 2.02 -0.94 -2.89 112.91 112.10 1fwe h THR 414 Ca -0.08 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1fwe h THR 414 Cb 1.40 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1fwe h THR 414 CO 0.15 0.10 0.00 1.41 0.37 0.00 0.00 175.52 177.55 1fwe n HIS 415 N -4.47 0.82 -2.92 3.16 8.25 -0.96 -4.86 115.22 114.24 1fwe n HIS 415 Ca 0.04 -0.56 -0.15 0.00 -0.26 0.00 0.00 57.72 56.79 1fwe n HIS 415 Cb 0.10 -0.09 0.03 0.00 1.12 0.00 0.00 29.99 31.16 1fwe n HIS 415 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fwe n GLY 416 N 0.77 -0.09 0.00 -1.41 0.00 -1.05 -4.73 105.19 98.68 1fwe n GLY 416 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1fwe n GLY 416 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fwe n ILE 417 N -4.11 0.59 0.19 -0.61 -5.35 0.10 -2.23 119.36 107.94 1fwe n ILE 417 Ca -0.05 -0.66 0.07 0.00 -0.27 0.00 0.00 62.75 61.84 1fwe n ILE 417 Cb 0.57 0.76 0.33 0.00 -1.74 0.00 0.00 39.64 39.56 1fwe n ILE 417 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fwe n ALA 418 N -0.29 1.22 0.55 -1.28 0.00 -0.61 -1.11 120.51 118.98 1fwe n ALA 418 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.64 1fwe n ALA 418 Cb 0.26 -1.21 0.34 0.00 0.00 0.00 0.00 19.45 18.85 1fwe n ALA 418 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1fwe h HIS 419 N 0.00 0.00 0.00 0.00 2.07 -1.88 -3.37 115.15 111.97 1fwe h HIS 419 Ca 0.00 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.29 1fwe h HIS 419 Cb 0.10 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.04 1fwe h HIS 419 CO 0.00 0.00 -1.80 0.39 -3.07 0.00 0.00 177.93 173.45 1fwe n GLU 420 N -2.41 0.33 -4.37 5.12 -0.58 -0.27 -4.80 120.64 113.66 1fwe n GLU 420 Ca 0.05 0.11 -0.21 0.00 -0.42 0.00 0.00 57.16 56.68 1fwe n GLU 420 Cb 0.45 -1.15 -0.08 0.00 -0.57 0.00 0.00 31.44 30.09 1fwe n GLU 420 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1fwe s VAL 421 N -2.27 0.21 0.00 2.62 -7.23 -0.86 -0.34 120.40 112.54 1fwe s VAL 421 Ca -0.19 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 1fwe s VAL 421 Cb 0.06 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1fwe s VAL 421 CO 0.29 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 1fwe n GLY 422 N -0.72 2.20 3.71 2.32 0.00 -1.26 -4.15 105.19 107.29 1fwe n GLY 422 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1fwe n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fwe s SER 423 N -1.93 -0.16 -1.07 1.61 1.04 -1.26 -2.30 113.70 109.64 1fwe s SER 423 Ca 0.00 -0.31 -0.15 0.00 0.48 0.00 0.00 55.95 55.96 1fwe s SER 423 Cb 0.00 0.40 0.17 0.00 0.10 0.00 0.00 66.02 66.69 1fwe s SER 423 CO 0.00 -0.73 1.25 -0.63 0.98 0.00 0.00 173.24 174.10 1fwe s ILE 424 N -3.06 5.04 0.06 -1.02 1.01 -1.26 -4.90 121.20 117.07 1fwe s ILE 424 Ca 0.12 -2.29 0.03 0.00 0.00 0.00 0.00 60.65 58.52 1fwe s ILE 424 Cb 0.00 -4.81 -0.03 0.00 0.01 0.00 0.00 42.46 37.64 1fwe s ILE 424 CO 0.00 -1.50 -0.09 -1.61 0.00 0.00 0.00 174.94 171.73 1fwe s GLU 425 N 1.67 0.67 0.43 2.79 2.02 -1.26 -5.09 118.70 119.93 1fwe s GLU 425 Ca 0.36 -0.92 -0.26 0.00 0.02 0.00 0.00 54.97 54.17 1fwe s GLU 425 Cb -0.05 -0.44 -0.09 0.00 0.10 0.00 0.00 34.13 33.65 1fwe s GLU 425 CO -0.05 0.08 1.46 1.33 0.02 0.00 0.00 175.26 178.10 1fwe n VAL 426 N 1.13 2.53 -0.17 2.63 0.24 -1.26 -2.66 118.33 120.76 1fwe n VAL 426 Ca -0.20 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1fwe n VAL 426 Cb 0.56 -1.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 1fwe n VAL 426 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fwe n GLY 427 N 0.53 1.67 3.90 7.63 0.00 0.64 -4.97 105.19 114.58 1fwe n GLY 427 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1fwe n GLY 427 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fwe s LYS 428 N -0.34 3.66 0.31 1.61 1.02 -1.09 -4.79 119.74 120.12 1fwe s LYS 428 Ca 0.00 0.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.85 1fwe s LYS 428 Cb 0.00 -2.54 -0.12 0.00 -0.52 0.00 0.00 37.83 34.65 1fwe s LYS 428 CO 0.00 0.09 1.51 -0.11 -0.92 0.00 0.00 175.35 175.92 1fwe n LEU 429 N -1.23 4.20 -3.86 3.17 7.94 0.54 -0.91 117.00 126.84 1fwe n LEU 429 Ca -0.00 1.17 -0.42 0.00 -1.11 0.00 0.00 56.01 55.65 1fwe n LEU 429 Cb 0.54 -1.56 -0.02 0.00 0.53 0.00 0.00 43.42 42.91 1fwe n LEU 429 CO 0.48 -0.01 2.40 0.00 -1.11 0.00 0.00 177.39 179.16 1fwe n ALA 430 N 1.51 4.56 -3.33 1.96 0.00 -0.13 -4.70 120.51 120.37 1fwe n ALA 430 Ca 0.07 -3.70 -0.44 0.00 0.00 0.00 0.00 53.44 49.37 1fwe n ALA 430 Cb 0.36 -3.57 -0.07 0.00 0.00 0.00 0.00 19.45 16.18 1fwe n ALA 430 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fwe s ASP 431 N 3.93 6.01 0.12 0.00 1.01 -1.26 -2.22 116.67 124.27 1fwe s ASP 431 Ca 0.51 -1.76 0.07 0.00 0.71 0.00 0.00 52.55 52.08 1fwe s ASP 431 Cb 0.12 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 1fwe s ASP 431 CO -0.01 -0.77 -0.16 -0.76 0.21 0.00 0.00 175.17 173.68 1fwe s LEU 432 N 1.52 2.38 -0.08 1.23 1.43 -0.49 -1.62 118.68 123.05 1fwe s LEU 432 Ca 0.04 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.37 1fwe s LEU 432 Cb -0.28 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.29 1fwe s LEU 432 CO 0.02 -0.07 -0.10 -0.69 0.23 0.00 0.00 176.35 175.74 1fwe s VAL 433 N -1.84 1.06 -0.18 -1.59 1.01 -0.43 -0.21 120.40 118.23 1fwe s VAL 433 Ca 0.09 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1fwe s VAL 433 Cb -0.07 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1fwe s VAL 433 CO 0.04 0.35 0.18 -0.69 0.00 0.00 0.00 175.10 174.98 1fwe s VAL 434 N 1.06 5.38 0.05 2.92 1.01 -0.30 -1.47 120.40 129.05 1fwe s VAL 434 Ca -0.07 0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.27 1fwe s VAL 434 Cb -0.14 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1fwe s VAL 434 CO -0.01 0.43 -0.17 0.26 0.00 0.00 0.00 175.10 175.62 1fwe s TRP 435 N 0.33 1.45 0.03 5.22 0.52 0.71 -0.35 118.94 126.85 1fwe s TRP 435 Ca 0.11 -0.37 -0.18 0.00 0.02 0.00 0.00 56.10 55.68 1fwe s TRP 435 Cb -0.12 -0.85 -0.06 0.00 -1.15 0.00 0.00 33.47 31.29 1fwe s TRP 435 CO 0.00 0.07 0.51 0.45 0.02 0.00 0.00 176.95 178.00 1fwe s SER 436 N -1.28 6.95 0.52 2.95 0.15 -1.26 -0.76 113.70 120.97 1fwe s SER 436 Ca 0.03 1.13 0.26 0.00 0.70 0.00 0.00 55.95 58.07 1fwe s SER 436 Cb -0.08 -2.32 1.38 0.00 -1.71 0.00 0.00 66.02 63.28 1fwe s SER 436 CO 0.02 0.27 1.95 -0.65 1.20 0.00 0.00 173.24 176.02 1fwe h PRO 437 N 4.79 0.06 0.00 5.44 0.11 -1.92 -0.28 132.00 140.20 1fwe h PRO 437 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1fwe h PRO 437 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1fwe h PRO 437 CO 0.64 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 1fwe h ALA 438 N 1.66 1.00 0.00 -0.75 0.00 -1.88 -0.08 119.26 119.21 1fwe h ALA 438 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1fwe h ALA 438 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1fwe h ALA 438 CO -0.02 0.00 -0.00 1.19 0.00 0.00 0.00 179.25 180.41 1fwe n PHE 439 N -2.87 0.00 -1.62 0.00 3.72 -0.19 -4.55 117.46 111.94 1fwe n PHE 439 Ca 0.02 -0.62 -0.51 0.00 -0.05 0.00 0.00 57.45 56.30 1fwe n PHE 439 Cb 0.36 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 1fwe n PHE 439 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1fwe n PHE 440 N -0.73 1.75 -0.25 1.38 7.35 -0.72 -0.58 117.46 125.65 1fwe n PHE 440 Ca 0.04 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.26 1fwe n PHE 440 Cb 0.35 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 37.79 1fwe n PHE 440 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1fwe n GLY 441 N 2.89 2.05 0.52 7.13 0.00 -1.26 -4.61 105.19 111.90 1fwe n GLY 441 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1fwe n GLY 441 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fwe n VAL 442 N -2.00 1.18 -3.53 1.61 0.31 0.25 -3.61 118.33 112.54 1fwe n VAL 442 Ca 0.00 0.08 -0.21 0.00 -0.01 0.00 0.00 64.34 64.19 1fwe n VAL 442 Cb 0.00 -1.90 -0.14 0.00 -0.91 0.00 0.00 33.84 30.89 1fwe n VAL 442 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1fwe s LYS 443 N -2.42 0.16 0.69 5.55 1.02 -0.81 -4.90 119.74 119.03 1fwe s LYS 443 Ca -0.18 0.05 -0.16 0.00 0.02 0.00 0.00 55.97 55.70 1fwe s LYS 443 Cb 0.05 -1.37 0.02 0.00 -0.52 0.00 0.00 37.83 36.00 1fwe s LYS 443 CO 0.25 -0.70 1.18 -2.14 -0.92 0.00 0.00 175.35 173.02 1fwe s PRO 444 N 2.26 2.44 -0.07 -1.68 0.02 -1.26 -4.73 135.00 131.98 1fwe s PRO 444 Ca 0.06 1.66 0.02 0.00 0.02 0.00 0.00 61.00 62.76 1fwe s PRO 444 Cb -0.16 -1.88 -0.25 0.00 0.02 0.00 0.00 34.50 32.23 1fwe s PRO 444 CO -0.14 -1.58 0.56 0.00 -0.33 0.00 0.00 177.00 175.51 1fwe h ALA 445 N -0.04 0.55 -2.45 -1.55 0.00 -1.05 -3.42 119.26 111.30 1fwe h ALA 445 Ca -0.48 -1.38 -0.08 0.00 0.00 0.00 0.00 54.91 52.97 1fwe h ALA 445 Cb 1.28 0.55 -0.23 0.00 0.00 0.00 0.00 17.79 19.39 1fwe h ALA 445 CO 0.52 1.40 -0.12 0.99 0.00 0.00 0.00 179.25 182.03 1fwe s THR 446 N -2.58 -0.01 -0.23 0.00 2.01 -1.12 -4.19 115.64 109.53 1fwe s THR 446 Ca -0.13 0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1fwe s THR 446 Cb 0.07 -0.74 0.04 0.00 0.01 0.00 0.00 72.50 71.88 1fwe s THR 446 CO 0.80 0.01 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.91 1fwe s VAL 447 N 0.67 2.20 -0.22 3.82 1.01 -0.88 -1.15 120.40 125.85 1fwe s VAL 447 Ca -0.03 -1.30 -0.09 0.00 0.00 0.00 0.00 61.98 60.55 1fwe s VAL 447 Cb -0.05 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1fwe s VAL 447 CO -0.04 0.22 0.12 -0.63 0.00 0.00 0.00 175.10 174.76 1fwe s ILE 448 N 1.20 5.14 -0.19 2.22 1.01 0.71 -0.93 121.20 130.36 1fwe s ILE 448 Ca -0.03 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 60.72 1fwe s ILE 448 Cb -0.17 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.95 1fwe s ILE 448 CO -0.08 0.40 -0.15 -0.54 0.00 0.00 0.00 174.94 174.56 1fwe s LYS 449 N 0.77 3.09 -1.35 2.79 1.02 0.74 -1.39 119.74 125.40 1fwe s LYS 449 Ca 0.06 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.24 1fwe s LYS 449 Cb -0.13 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1fwe s LYS 449 CO 0.02 -0.21 0.26 0.41 -0.92 0.00 0.00 175.35 174.90 1fwe n GLY 450 N 4.67 -0.50 1.23 -3.33 0.00 -0.94 -1.70 105.19 104.61 1fwe n GLY 450 Ca -0.20 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1fwe n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fwe n GLY 451 N -1.10 0.71 3.17 -0.02 0.00 -1.03 -4.28 105.19 102.64 1fwe n GLY 451 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1fwe n GLY 451 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fwe s MET 452 N -0.58 1.38 0.05 1.61 1.00 -0.69 -4.97 119.30 117.09 1fwe s MET 452 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 55.69 54.74 1fwe s MET 452 Cb 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 34.83 33.42 1fwe s MET 452 CO 0.00 0.37 1.48 0.42 0.00 0.00 0.00 175.02 177.29 1fwe s ILE 453 N -0.45 3.39 -0.18 2.53 1.01 -1.26 -0.18 121.20 126.05 1fwe s ILE 453 Ca 0.06 0.85 0.16 0.00 0.00 0.00 0.00 60.65 61.73 1fwe s ILE 453 Cb -0.07 -3.55 -0.22 0.00 0.01 0.00 0.00 42.46 38.63 1fwe s ILE 453 CO -0.00 0.01 0.06 0.00 0.00 0.00 0.00 174.94 175.01 1fwe n ALA 454 N 5.15 1.56 -3.42 9.38 0.00 -0.10 -1.75 120.51 131.32 1fwe n ALA 454 Ca 0.14 -1.19 -0.16 0.00 0.00 0.00 0.00 53.44 52.23 1fwe n ALA 454 Cb 0.42 -0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 1fwe n ALA 454 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1fwe s ILE 455 N -2.44 0.02 0.05 0.00 2.07 -1.22 -0.50 121.20 119.18 1fwe s ILE 455 Ca -0.09 -0.16 -0.28 0.00 -1.41 0.00 0.00 60.65 58.72 1fwe s ILE 455 Cb 0.05 -0.86 0.09 0.00 0.13 0.00 0.00 42.46 41.88 1fwe s ILE 455 CO 0.74 -0.09 0.96 0.00 -1.91 0.00 0.00 174.94 174.64 1fwe s ALA 456 N -1.10 -1.79 0.27 1.50 0.00 -1.18 -2.06 121.76 117.39 1fwe s ALA 456 Ca -0.11 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 1fwe s ALA 456 Cb -0.02 0.48 -0.09 0.00 0.00 0.00 0.00 23.12 23.49 1fwe s ALA 456 CO 0.07 -0.85 1.18 -2.14 0.00 0.00 0.00 175.76 174.02 1fwe s PRO 457 N -3.11 4.53 -0.03 0.00 0.02 -1.26 -1.71 135.00 133.44 1fwe s PRO 457 Ca 0.09 1.93 -0.01 0.00 0.02 0.00 0.00 61.00 63.03 1fwe s PRO 457 Cb -0.01 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 31.37 1fwe s PRO 457 CO -0.04 0.04 0.06 1.41 -0.33 0.00 0.00 177.00 178.14 1fwe s MET 458 N -1.22 -0.02 0.18 5.54 1.75 -0.57 -4.90 119.30 120.07 1fwe s MET 458 Ca 0.48 0.25 -0.03 0.00 -1.25 0.00 0.00 55.69 55.14 1fwe s MET 458 Cb -0.34 -0.25 0.04 0.00 2.84 0.00 0.00 34.83 37.12 1fwe s MET 458 CO 0.43 -0.18 0.25 0.41 -0.65 0.00 0.00 175.02 175.28 1fwe n GLY 459 N 4.29 -0.74 2.88 2.11 0.00 -0.14 -2.95 105.19 110.65 1fwe n GLY 459 Ca -0.26 -1.75 -0.53 0.00 0.00 0.00 0.00 46.02 43.49 1fwe n GLY 459 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fwe n ASP 460 N -3.13 0.86 0.09 1.61 -0.08 -0.37 -4.84 116.55 110.68 1fwe n ASP 460 Ca 0.03 0.83 0.04 0.00 -1.51 0.00 0.00 54.79 54.19 1fwe n ASP 460 Cb 0.12 -0.71 0.45 0.00 2.34 0.00 0.00 41.12 43.32 1fwe n ASP 460 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1fwe h ILE 461 N 4.47 1.11 -0.01 5.18 1.08 -1.92 -1.93 117.51 125.49 1fwe h ILE 461 Ca -0.27 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 1fwe h ILE 461 Cb 1.11 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 1fwe h ILE 461 CO 0.81 0.13 -0.04 -3.20 -0.69 0.00 0.00 178.15 175.16 1fwe n ASN 462 N -4.42 1.38 -4.73 1.72 5.15 -1.26 -4.96 115.26 108.15 1fwe n ASN 462 Ca 0.01 -1.38 -0.30 0.00 -0.60 0.00 0.00 54.58 52.31 1fwe n ASN 462 Cb 0.14 0.02 0.14 0.00 -0.53 0.00 0.00 39.78 39.54 1fwe n ASN 462 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fwe s ALA 463 N -2.09 1.56 -0.03 5.20 0.00 -0.73 -4.94 121.76 120.73 1fwe s ALA 463 Ca 0.36 -0.14 0.24 0.00 0.00 0.00 0.00 51.96 52.41 1fwe s ALA 463 Cb 0.21 -3.16 0.72 0.00 0.00 0.00 0.00 23.12 20.89 1fwe s ALA 463 CO 0.37 -2.34 1.74 0.66 0.00 0.00 0.00 175.76 176.19 1fwe h SER 464 N -1.54 0.00 -4.87 0.00 4.64 -1.93 -3.45 113.55 106.41 1fwe h SER 464 Ca -0.50 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.57 1fwe h SER 464 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1fwe h SER 464 CO 0.56 0.20 -0.66 0.27 -0.87 0.00 0.00 176.83 176.33 1fwe s ILE 465 N -3.44 0.45 -2.00 0.95 -4.36 -1.26 -5.06 121.20 106.47 1fwe s ILE 465 Ca 0.02 -1.95 0.32 0.00 -0.26 0.00 0.00 60.65 58.78 1fwe s ILE 465 Cb 0.09 -2.09 0.90 0.00 1.25 0.00 0.00 42.46 42.60 1fwe s ILE 465 CO 0.65 -0.47 2.21 -0.81 0.24 0.00 0.00 174.94 176.76 1fwe n PRO 466 N -0.18 1.00 0.06 0.37 -0.04 -1.26 -4.18 135.00 130.76 1fwe n PRO 466 Ca -0.06 -0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.44 1fwe n PRO 466 Cb 0.63 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 1fwe n PRO 466 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1fwe n THR 467 N -0.99 0.91 -1.69 0.52 -2.24 -1.26 -0.96 114.28 108.56 1fwe n THR 467 Ca 0.24 -0.63 -0.38 0.00 -2.27 0.00 0.00 64.05 61.01 1fwe n THR 467 Cb 0.11 -0.54 0.05 0.00 -2.10 0.00 0.00 70.33 67.85 1fwe n THR 467 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1fwe n PRO 468 N -2.77 1.24 -1.58 -0.78 -0.02 -1.26 -4.75 135.00 125.08 1fwe n PRO 468 Ca -0.06 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 1fwe n PRO 468 Cb 0.72 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.85 1fwe n PRO 468 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1fwe s GLN 469 N -2.96 2.55 0.02 -0.52 -1.52 -1.26 -1.24 119.66 114.73 1fwe s GLN 469 Ca 0.76 1.39 -0.23 0.00 -1.95 0.00 0.00 55.36 55.33 1fwe s GLN 469 Cb -0.41 -1.92 -0.06 0.00 -0.22 0.00 0.00 33.01 30.40 1fwe s GLN 469 CO 0.46 -1.45 0.67 -1.25 -0.25 0.00 0.00 175.29 173.48 1fwe s PRO 470 N -4.27 4.40 -0.24 2.91 0.04 -1.26 -4.17 135.00 132.41 1fwe s PRO 470 Ca 0.66 0.89 -0.10 0.00 0.04 0.00 0.00 61.00 62.49 1fwe s PRO 470 Cb -0.21 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 1fwe s PRO 470 CO 0.46 0.34 0.15 0.08 0.04 0.00 0.00 177.00 178.07 1fwe s VAL 471 N -0.18 5.27 0.07 -0.36 1.01 -1.26 -3.65 120.40 121.29 1fwe s VAL 471 Ca 0.34 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.27 1fwe s VAL 471 Cb -0.19 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.77 1fwe s VAL 471 CO 0.20 0.34 0.48 -1.38 0.00 0.00 0.00 175.10 174.74 1fwe s HIS 472 N 1.11 -0.36 0.17 5.22 -3.43 -1.15 -4.88 115.29 111.96 1fwe s HIS 472 Ca 0.07 0.30 -0.32 0.00 -0.80 0.00 0.00 55.06 54.31 1fwe s HIS 472 Cb -0.14 0.31 -0.11 0.00 -1.43 0.00 0.00 32.58 31.22 1fwe s HIS 472 CO 0.05 -0.65 1.69 0.71 -2.00 0.00 0.00 174.74 174.53 1fwe s TYR 473 N -2.79 2.78 0.02 0.38 1.51 -1.26 -1.51 117.35 116.47 1fwe s TYR 473 Ca -0.03 0.36 0.02 0.00 -1.01 0.00 0.00 57.07 56.41 1fwe s TYR 473 Cb -0.00 -4.07 -0.01 0.00 -0.11 0.00 0.00 41.96 37.77 1fwe s TYR 473 CO -0.05 -4.10 -0.06 1.03 -1.11 0.00 0.00 175.55 171.26 1fwe s ARG 474 N 1.58 0.46 0.32 -0.62 0.52 -0.69 -4.93 118.95 115.59 1fwe s ARG 474 Ca 0.74 -0.44 -0.29 0.00 -0.52 0.00 0.00 55.73 55.22 1fwe s ARG 474 Cb -0.46 -0.35 -0.11 0.00 0.52 0.00 0.00 34.95 34.55 1fwe s ARG 474 CO 0.33 0.08 1.49 -2.14 0.02 0.00 0.00 175.30 175.08 1fwe s PRO 475 N -0.77 4.17 0.11 3.54 0.02 -1.26 -3.08 135.00 137.73 1fwe s PRO 475 Ca -0.03 2.48 0.01 0.00 0.02 0.00 0.00 61.00 63.48 1fwe s PRO 475 Cb -0.06 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.45 1fwe s PRO 475 CO 0.00 -0.50 0.09 -1.33 -0.33 0.00 0.00 177.00 174.93 1fwe n MET 476 N 1.44 1.25 0.23 5.54 2.81 0.34 -4.94 117.12 123.79 1fwe n MET 476 Ca 0.04 -0.64 0.11 0.00 -1.81 0.00 0.00 57.70 55.41 1fwe n MET 476 Cb 0.39 0.04 0.70 0.00 -0.71 0.00 0.00 33.22 33.64 1fwe n MET 476 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1fwe h PHE 477 N 0.41 0.00 0.00 2.03 -1.00 -1.84 -1.36 116.94 115.18 1fwe h PHE 477 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1fwe h PHE 477 Cb 0.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1fwe h PHE 477 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1fwe n GLY 478 N -1.51 -0.94 0.84 -1.45 0.00 -0.71 -2.10 105.19 99.31 1fwe n GLY 478 Ca -0.01 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.01 1fwe n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwe n ALA 479 N -1.39 2.36 -2.74 4.61 0.00 -0.51 -3.87 120.51 118.97 1fwe n ALA 479 Ca 0.06 -1.33 -0.34 0.00 0.00 0.00 0.00 53.44 51.83 1fwe n ALA 479 Cb 0.16 -0.58 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 1fwe n ALA 479 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fwe s LEU 480 N -1.27 3.79 0.00 0.00 1.43 -0.89 -4.82 118.68 116.92 1fwe s LEU 480 Ca 0.31 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1fwe s LEU 480 Cb 0.18 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1fwe s LEU 480 CO 0.18 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.70 1fwe n GLY 481 N 1.63 0.00 0.27 -3.19 0.00 -1.26 -1.02 105.19 101.62 1fwe n GLY 481 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1fwe n GLY 481 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fwe h SER 482 N 0.00 0.00 0.21 1.61 0.02 -1.97 -2.24 113.55 111.19 1fwe h SER 482 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1fwe h SER 482 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1fwe h SER 482 CO 0.00 0.09 -0.38 0.00 -1.14 0.00 0.00 176.83 175.40 1fwe h ALA 483 N 1.91 1.16 -0.08 3.77 0.00 -1.46 -2.17 119.26 122.39 1fwe h ALA 483 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1fwe h ALA 483 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1fwe h ALA 483 CO 0.01 0.56 -0.04 -0.09 0.00 0.00 0.00 179.25 179.70 1fwe h ARG 484 N 0.20 0.16 -0.75 0.00 2.43 -0.46 -2.46 114.38 113.50 1fwe h ARG 484 Ca 0.02 -0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.26 1fwe h ARG 484 Cb 0.76 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.26 1fwe h ARG 484 CO 0.06 0.53 0.50 0.45 -1.51 0.00 0.00 179.97 179.99 1fwe h HIS 485 N -0.21 0.53 0.00 2.20 3.86 -1.34 -0.03 115.15 120.16 1fwe h HIS 485 Ca 0.02 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1fwe h HIS 485 Cb 0.48 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1fwe h HIS 485 CO 0.07 0.21 -0.07 1.25 0.86 0.00 0.00 177.93 180.24 1fwe h HIS 486 N 0.46 0.00 -0.17 2.45 -0.00 -1.16 -2.94 115.15 113.79 1fwe h HIS 486 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 1fwe h HIS 486 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.18 1fwe h HIS 486 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.93 1fwe s ARG 488 N -0.97 1.52 0.02 0.00 1.70 -0.84 -3.19 118.95 117.20 1fwe s ARG 488 Ca 0.18 -1.75 0.07 0.00 -0.47 0.00 0.00 55.73 53.76 1fwe s ARG 488 Cb 0.11 -1.22 -0.02 0.00 -0.57 0.00 0.00 34.95 33.25 1fwe s ARG 488 CO 0.15 0.10 -0.20 -0.51 -1.08 0.00 0.00 175.30 173.75 1fwe s LEU 489 N -3.43 2.12 -0.21 -1.89 1.43 -1.26 -3.04 118.68 112.41 1fwe s LEU 489 Ca 0.28 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1fwe s LEU 489 Cb 0.02 -0.98 -0.00 0.00 0.03 0.00 0.00 46.19 45.26 1fwe s LEU 489 CO 0.11 0.19 -0.08 -0.89 0.23 0.00 0.00 176.35 175.91 1fwe s THR 490 N -0.67 3.08 0.10 5.49 2.01 -0.44 -1.86 115.64 123.34 1fwe s THR 490 Ca 0.07 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.24 1fwe s THR 490 Cb -0.08 -2.38 -0.07 0.00 0.01 0.00 0.00 72.50 69.98 1fwe s THR 490 CO 0.01 0.45 0.73 -0.36 -0.69 0.00 0.00 174.62 174.77 1fwe s PHE 491 N 1.38 3.82 0.17 4.92 0.40 -0.18 -1.72 117.98 126.76 1fwe s PHE 491 Ca 0.05 1.50 0.06 0.00 -0.60 0.00 0.00 56.93 57.94 1fwe s PHE 491 Cb -0.14 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.60 1fwe s PHE 491 CO -0.05 0.42 -0.12 -0.51 0.70 0.00 0.00 175.22 175.66 1fwe s LEU 492 N -0.66 2.53 0.61 -0.37 1.43 0.30 -4.59 118.68 117.93 1fwe s LEU 492 Ca 0.36 -0.99 -0.13 0.00 -1.03 0.00 0.00 54.13 52.33 1fwe s LEU 492 Cb -0.21 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 1fwe s LEU 492 CO 0.23 -0.24 1.04 -0.94 0.23 0.00 0.00 176.35 176.67 1fwe s SER 493 N -3.15 5.96 0.37 2.29 1.04 -1.25 -2.27 113.70 116.69 1fwe s SER 493 Ca 0.18 1.61 0.07 0.00 0.48 0.00 0.00 55.95 58.29 1fwe s SER 493 Cb 0.00 -2.50 0.79 0.00 0.10 0.00 0.00 66.02 64.41 1fwe s SER 493 CO 0.03 -1.05 1.94 1.56 0.98 0.00 0.00 173.24 176.71 1fwe h GLN 494 N 0.03 0.69 -0.02 4.02 4.20 -1.82 -2.17 115.11 120.04 1fwe h GLN 494 Ca -0.45 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.22 1fwe h GLN 494 Cb 1.20 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 1fwe h GLN 494 CO 0.59 0.45 0.01 0.00 -0.67 0.00 0.00 178.83 179.21 1fwe h ALA 495 N 1.61 0.02 -0.57 3.87 0.00 -1.87 -2.00 119.26 120.32 1fwe h ALA 495 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1fwe h ALA 495 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1fwe h ALA 495 CO -0.12 -0.40 0.36 0.00 0.00 0.00 0.00 179.25 179.09 1fwe h ALA 496 N 0.86 0.73 -0.61 0.00 0.00 -1.61 -0.52 119.26 118.12 1fwe h ALA 496 Ca 0.01 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1fwe h ALA 496 Cb 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1fwe h ALA 496 CO -0.00 0.19 0.26 0.00 0.00 0.00 0.00 179.25 179.70 1fwe h ALA 497 N 1.19 0.80 -0.10 0.00 0.00 -1.30 -2.10 119.26 117.76 1fwe h ALA 497 Ca 0.21 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 1fwe h ALA 497 Cb -0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1fwe h ALA 497 CO -0.04 -0.14 -0.66 0.00 0.00 0.00 0.00 179.25 178.41 1fwe h ALA 498 N 1.39 0.69 0.00 0.00 0.00 -0.81 -3.06 119.26 117.48 1fwe h ALA 498 Ca 0.30 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1fwe h ALA 498 Cb 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1fwe h ALA 498 CO -0.27 0.74 0.00 0.09 0.00 0.00 0.00 179.25 179.81 1fwe n ASN 499 N -3.87 0.00 -0.87 0.00 3.02 -0.25 -4.90 115.26 108.39 1fwe n ASN 499 Ca -0.03 -0.37 -0.07 0.00 -0.03 0.00 0.00 54.58 54.08 1fwe n ASN 499 Cb 0.66 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1fwe n ASN 499 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fwe n GLY 500 N 0.55 0.19 0.31 7.41 0.00 -0.94 -4.95 105.19 107.77 1fwe n GLY 500 Ca 0.14 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 1fwe n GLY 500 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fwe h VAL 501 N -0.18 1.12 -0.53 1.61 2.07 -1.63 -0.65 116.25 118.06 1fwe h VAL 501 Ca -0.15 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1fwe h VAL 501 Cb 1.11 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1fwe h VAL 501 CO 0.18 0.18 0.28 0.00 0.02 0.00 0.00 177.57 178.23 1fwe h ALA 502 N 1.34 0.69 -0.22 1.67 0.00 -1.90 0.35 119.26 121.18 1fwe h ALA 502 Ca 0.32 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 1fwe h ALA 502 Cb 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1fwe h ALA 502 CO -0.11 -0.05 -0.67 0.93 0.00 0.00 0.00 179.25 179.35 1fwe h GLU 503 N 0.55 0.85 -0.57 0.00 3.07 -1.82 0.50 114.58 117.15 1fwe h GLU 503 Ca 0.23 -0.61 -0.02 0.00 -0.50 0.00 0.00 59.36 58.46 1fwe h GLU 503 Cb 0.12 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 1fwe h GLU 503 CO -0.15 1.23 0.26 -0.09 -1.40 0.00 0.00 179.01 178.86 1fwe h ARG 504 N 0.61 0.83 -0.00 2.33 2.43 -0.75 -2.42 114.38 117.41 1fwe h ARG 504 Ca -0.02 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1fwe h ARG 504 Cb 1.29 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1fwe h ARG 504 CO 0.14 0.69 -0.27 1.28 -1.51 0.00 0.00 179.97 180.30 1fwe n LEU 505 N -4.53 0.53 -3.32 3.80 4.77 0.08 -4.95 117.00 113.38 1fwe n LEU 505 Ca 0.03 0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 1fwe n LEU 505 Cb 0.13 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1fwe n LEU 505 CO 0.38 0.11 0.10 -3.20 -1.33 0.00 0.00 177.39 173.45 1fwe n ASN 506 N -1.18 -2.26 -4.74 -1.43 2.85 -0.52 -4.95 115.26 103.02 1fwe n ASN 506 Ca 0.09 -0.60 -0.41 0.00 -0.11 0.00 0.00 54.58 53.55 1fwe n ASN 506 Cb 0.32 -4.93 -0.03 0.00 1.24 0.00 0.00 39.78 36.38 1fwe n ASN 506 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1fwe s LEU 507 N -6.13 4.43 0.14 1.20 1.02 0.05 -4.94 118.68 114.45 1fwe s LEU 507 Ca 0.02 2.45 0.22 0.00 0.02 0.00 0.00 54.13 56.85 1fwe s LEU 507 Cb -0.00 -3.62 -0.10 0.00 0.02 0.00 0.00 46.19 42.49 1fwe s LEU 507 CO 0.70 -0.51 0.88 0.54 0.02 0.00 0.00 176.35 177.98 1fwe n ARG 508 N 2.23 0.62 -1.99 1.70 3.00 -1.26 -4.89 116.66 116.07 1fwe n ARG 508 Ca 0.05 0.03 -0.29 0.00 -0.01 0.00 0.00 57.85 57.63 1fwe n ARG 508 Cb 0.43 -1.74 0.06 0.00 0.00 0.00 0.00 32.46 31.21 1fwe n ARG 508 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1fwe s SER 509 N -5.11 5.10 0.50 0.55 0.01 -1.26 -4.75 113.70 108.72 1fwe s SER 509 Ca -0.03 0.90 -0.22 0.00 1.31 0.00 0.00 55.95 57.91 1fwe s SER 509 Cb 0.11 -1.60 -0.06 0.00 0.21 0.00 0.00 66.02 64.67 1fwe s SER 509 CO 0.82 -1.51 1.23 0.00 0.41 0.00 0.00 173.24 174.19 1fwe s ALA 510 N -3.37 2.90 -0.03 1.44 0.00 -1.11 -4.84 121.76 116.75 1fwe s ALA 510 Ca 0.59 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.63 1fwe s ALA 510 Cb -0.11 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1fwe s ALA 510 CO 0.49 -0.92 -0.02 0.42 0.00 0.00 0.00 175.76 175.73 1fwe s ILE 511 N -1.47 4.05 0.01 0.00 -1.09 -1.26 -1.33 121.20 120.10 1fwe s ILE 511 Ca 0.67 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 58.57 1fwe s ILE 511 Cb -0.32 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.79 1fwe s ILE 511 CO 0.39 0.46 -0.06 0.00 -1.23 0.00 0.00 174.94 174.50 1fwe s ALA 512 N -0.99 0.47 -0.06 9.38 0.00 -0.70 -4.90 121.76 124.96 1fwe s ALA 512 Ca 0.17 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1fwe s ALA 512 Cb -0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1fwe s ALA 512 CO 0.07 0.05 -0.07 0.08 0.00 0.00 0.00 175.76 175.89 1fwe s VAL 513 N -0.60 3.65 0.26 0.00 1.01 -1.26 -0.54 120.40 122.91 1fwe s VAL 513 Ca -0.03 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 1fwe s VAL 513 Cb -0.05 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.75 1fwe s VAL 513 CO 0.00 0.59 0.69 0.68 0.00 0.00 0.00 175.10 177.06 1fwe s VAL 514 N -0.82 4.69 -0.07 2.92 -7.23 -0.96 -4.92 120.40 114.01 1fwe s VAL 514 Ca 0.13 1.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.99 1fwe s VAL 514 Cb -0.11 -3.71 0.08 0.00 0.56 0.00 0.00 36.38 33.20 1fwe s VAL 514 CO 0.02 0.02 0.74 -1.59 -0.31 0.00 0.00 175.10 173.97 1fwe s LYS 515 N -2.48 0.98 0.00 4.82 -2.85 -0.95 -4.42 119.74 114.84 1fwe s LYS 515 Ca 0.47 0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.67 1fwe s LYS 515 Cb -0.13 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1fwe s LYS 515 CO 0.19 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.75 1fwe n GLY 516 N 0.86 0.75 0.15 0.59 0.00 -1.26 -4.44 105.19 101.83 1fwe n GLY 516 Ca -0.17 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.27 1fwe n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwe n ARG 518 N -2.86 0.33 0.00 0.00 5.12 -1.26 -4.28 116.66 113.70 1fwe n ARG 518 Ca 0.01 0.01 0.10 0.00 -1.93 0.00 0.00 57.85 56.04 1fwe n ARG 518 Cb 0.58 -1.62 -0.10 0.00 -1.16 0.00 0.00 32.46 30.16 1fwe n ARG 518 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1fwe n THR 519 N -2.05 0.02 -2.50 0.55 -2.24 -1.26 -4.65 114.28 102.14 1fwe n THR 519 Ca 0.02 -0.12 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 1fwe n THR 519 Cb 0.45 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.34 1fwe n THR 519 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1fwe s VAL 520 N -3.12 3.59 0.22 2.28 -7.23 -1.25 -5.04 120.40 109.85 1fwe s VAL 520 Ca 0.05 1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 61.59 1fwe s VAL 520 Cb 0.16 -3.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 1fwe s VAL 520 CO 0.86 0.18 0.20 0.00 -0.31 0.00 0.00 175.10 176.04 1fwe s GLN 521 N -1.98 1.29 0.33 4.82 -2.07 -1.26 -4.87 119.66 115.91 1fwe s GLN 521 Ca 0.51 -1.58 0.11 0.00 -1.82 0.00 0.00 55.36 52.58 1fwe s GLN 521 Cb -0.27 0.31 0.96 0.00 -1.09 0.00 0.00 33.01 32.91 1fwe s GLN 521 CO 0.34 -0.45 1.70 -0.22 -1.32 0.00 0.00 175.29 175.34 1fwe h LYS 522 N 2.53 0.44 0.00 9.60 1.63 -1.12 0.84 116.57 130.50 1fwe h LYS 522 Ca -0.34 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1fwe h LYS 522 Cb 1.25 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1fwe h LYS 522 CO 0.49 0.29 -0.00 0.00 -3.45 0.00 0.00 179.45 176.78 1fwe h ALA 523 N 1.78 1.01 0.00 5.00 0.00 -1.81 -2.20 119.26 123.03 1fwe h ALA 523 Ca 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1fwe h ALA 523 Cb 1.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1fwe h ALA 523 CO -0.54 0.00 -0.27 -0.25 0.00 0.00 0.00 179.25 178.19 1fwe n ASP 524 N -3.09 0.47 -4.64 0.00 8.00 0.29 -4.85 116.55 112.73 1fwe n ASP 524 Ca -0.02 0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.29 1fwe n ASP 524 Cb 0.11 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 1fwe n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1fwe s MET 525 N -3.06 3.97 -0.00 -1.24 -1.94 -0.83 -4.94 119.30 111.26 1fwe s MET 525 Ca 0.11 1.62 -0.30 0.00 -1.71 0.00 0.00 55.69 55.41 1fwe s MET 525 Cb 0.16 -3.93 -0.09 0.00 2.01 0.00 0.00 34.83 32.98 1fwe s MET 525 CO 0.63 -1.07 2.00 0.28 -0.01 0.00 0.00 175.02 176.86 1fwe n VAL 526 N 6.01 0.71 -0.87 -6.03 0.31 -1.26 -2.00 118.33 115.21 1fwe n VAL 526 Ca 0.16 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1fwe n VAL 526 Cb 0.45 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 1fwe n VAL 526 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1fwe n HIS 527 N 7.99 0.00 -3.19 3.52 8.25 -1.26 -4.80 115.22 125.73 1fwe n HIS 527 Ca 0.21 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.46 1fwe n HIS 527 Cb 0.41 -1.82 -0.05 0.00 1.12 0.00 0.00 29.99 29.65 1fwe n HIS 527 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1fwe n ASN 528 N -0.71 0.69 -0.18 0.41 3.02 -0.85 -4.74 115.26 112.90 1fwe n ASN 528 Ca 0.00 -2.89 0.05 0.00 -0.03 0.00 0.00 54.58 51.71 1fwe n ASN 528 Cb 0.35 -0.63 0.09 0.00 -0.61 0.00 0.00 39.78 38.98 1fwe n ASN 528 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1fwe n SER 529 N 0.79 2.40 -4.75 6.41 3.41 -1.17 -4.60 113.62 116.10 1fwe n SER 529 Ca 0.23 -2.46 -0.41 0.00 -0.26 0.00 0.00 58.87 55.97 1fwe n SER 529 Cb 0.59 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1fwe n SER 529 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1fwe s LEU 530 N -1.80 4.42 -0.60 1.04 2.96 -1.01 -4.61 118.68 119.07 1fwe s LEU 530 Ca 0.17 2.56 0.04 0.00 -0.22 0.00 0.00 54.13 56.69 1fwe s LEU 530 Cb 0.14 -3.63 0.15 0.00 0.50 0.00 0.00 46.19 43.35 1fwe s LEU 530 CO 0.04 -0.56 0.37 -1.10 -1.32 0.00 0.00 176.35 173.77 1fwe s GLN 531 N -0.74 2.20 0.50 1.98 -0.21 -1.26 -4.38 119.66 117.74 1fwe s GLN 531 Ca 0.55 -2.96 -0.20 0.00 0.02 0.00 0.00 55.36 52.77 1fwe s GLN 531 Cb -0.39 -3.37 -0.08 0.00 1.00 0.00 0.00 33.01 30.18 1fwe s GLN 531 CO 0.44 -1.19 1.07 -1.25 -2.12 0.00 0.00 175.29 172.24 1fwe s PRO 532 N -0.83 3.70 -1.27 2.91 0.04 -1.26 -4.92 135.00 133.37 1fwe s PRO 532 Ca 0.21 1.45 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1fwe s PRO 532 Cb -0.16 -2.10 0.11 0.00 0.04 0.00 0.00 34.50 32.39 1fwe s PRO 532 CO -0.08 -0.53 1.65 -1.71 0.04 0.00 0.00 177.00 176.38 1fwe n ASN 533 N -0.99 5.00 -4.85 6.66 5.15 -1.26 -4.36 115.26 120.61 1fwe n ASN 533 Ca 0.10 -2.95 -0.37 0.00 -0.60 0.00 0.00 54.58 50.75 1fwe n ASN 533 Cb 0.52 -1.66 -0.06 0.00 -0.53 0.00 0.00 39.78 38.05 1fwe n ASN 533 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1fwe s ILE 534 N 2.88 5.14 0.03 -1.44 2.07 -1.26 -1.59 121.20 127.02 1fwe s ILE 534 Ca 0.48 0.67 0.02 0.00 -1.41 0.00 0.00 60.65 60.41 1fwe s ILE 534 Cb 0.02 -3.64 -0.02 0.00 0.13 0.00 0.00 42.46 38.95 1fwe s ILE 534 CO 0.03 0.56 -0.06 0.42 -1.91 0.00 0.00 174.94 173.98 1fwe s THR 535 N -1.10 0.42 -0.08 4.00 -4.23 0.48 -4.91 115.64 110.22 1fwe s THR 535 Ca 0.23 -0.80 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1fwe s THR 535 Cb -0.15 -0.47 -0.00 0.00 1.34 0.00 0.00 72.50 73.22 1fwe s THR 535 CO 0.12 -0.27 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.02 1fwe s VAL 536 N -1.03 1.92 -0.21 2.29 1.01 -1.26 -0.90 120.40 122.22 1fwe s VAL 536 Ca -0.08 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 1fwe s VAL 536 Cb -0.08 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 1fwe s VAL 536 CO 0.00 0.53 1.20 -0.62 0.00 0.00 0.00 175.10 176.21 1fwe s ASP 537 N 0.18 6.95 0.35 3.32 3.68 -0.29 -4.93 116.67 125.94 1fwe s ASP 537 Ca -0.12 1.51 0.09 0.00 2.13 0.00 0.00 52.55 56.16 1fwe s ASP 537 Cb -0.16 -2.54 0.81 0.00 -1.45 0.00 0.00 42.92 39.58 1fwe s ASP 537 CO 0.06 -0.78 1.87 0.00 0.13 0.00 0.00 175.17 176.45 1fwe h ALA 538 N 8.12 1.82 0.00 3.66 0.00 -1.95 0.43 119.26 131.35 1fwe h ALA 538 Ca -0.24 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1fwe h ALA 538 Cb 1.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1fwe h ALA 538 CO 0.98 -0.06 -0.40 1.96 0.00 0.00 0.00 179.25 181.73 1fwe h GLN 539 N 0.70 0.00 0.00 0.00 7.50 -1.99 -3.40 115.11 117.91 1fwe h GLN 539 Ca 0.44 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.59 1fwe h GLN 539 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.23 1fwe h GLN 539 CO -0.20 0.11 0.00 1.79 -1.50 0.00 0.00 178.83 179.03 1fwe h THR 540 N -1.00 0.00 0.00 -0.54 1.35 -1.98 -3.47 112.91 107.27 1fwe h THR 540 Ca -0.03 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1fwe h THR 540 Cb 0.44 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1fwe h THR 540 CO -0.02 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.03 1fwe n TYR 541 N -3.06 0.00 -2.08 4.73 4.01 0.15 -4.94 117.16 115.98 1fwe n TYR 541 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 1fwe n TYR 541 Cb 0.46 -0.59 -0.02 0.00 -0.31 0.00 0.00 39.34 38.88 1fwe n TYR 541 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1fwe s GLU 542 N -0.51 4.32 -0.19 -0.72 2.02 -1.26 -4.35 118.70 118.00 1fwe s GLU 542 Ca 0.00 2.24 -0.12 0.00 0.02 0.00 0.00 54.97 57.11 1fwe s GLU 542 Cb 0.00 -3.09 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 1fwe s GLU 542 CO 0.00 -0.28 0.21 0.08 0.02 0.00 0.00 175.26 175.28 1fwe s VAL 543 N -0.61 5.35 0.02 2.63 1.01 -1.26 -1.14 120.40 126.40 1fwe s VAL 543 Ca 0.53 0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.90 1fwe s VAL 543 Cb -0.40 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1fwe s VAL 543 CO 0.48 0.39 -0.13 -0.13 0.00 0.00 0.00 175.10 175.72 1fwe s ARG 544 N 0.59 0.92 -0.15 2.72 0.52 -0.08 -1.08 118.95 122.39 1fwe s ARG 544 Ca 0.12 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1fwe s ARG 544 Cb -0.12 -0.89 0.02 0.00 0.52 0.00 0.00 34.95 34.47 1fwe s ARG 544 CO 0.02 0.23 -0.15 0.08 0.02 0.00 0.00 175.30 175.50 1fwe s VAL 545 N -0.62 1.64 -1.54 3.52 1.01 0.15 -0.39 120.40 124.19 1fwe s VAL 545 Ca 0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1fwe s VAL 545 Cb -0.06 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1fwe s VAL 545 CO 0.00 0.46 0.14 0.47 0.00 0.00 0.00 175.10 176.18 1fwe n ASP 546 N 4.75 -5.34 0.00 3.32 8.00 -0.62 -1.07 116.55 125.59 1fwe n ASP 546 Ca -0.17 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1fwe n ASP 546 Cb 0.50 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.17 1fwe n ASP 546 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fwe n GLY 547 N -1.07 2.98 3.74 0.44 0.00 -1.26 -5.01 105.19 105.01 1fwe n GLY 547 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1fwe n GLY 547 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fwe s GLU 548 N -0.21 4.77 0.14 1.61 -1.05 -0.23 -4.95 118.70 118.78 1fwe s GLU 548 Ca 0.00 1.51 -0.30 0.00 -0.15 0.00 0.00 54.97 56.03 1fwe s GLU 548 Cb 0.00 -3.31 -0.07 0.00 -0.44 0.00 0.00 34.13 30.31 1fwe s GLU 548 CO 0.00 0.35 1.23 -1.17 0.95 0.00 0.00 175.26 176.62 1fwe s LEU 549 N -0.70 4.42 -0.17 1.83 2.96 -1.26 -0.67 118.68 125.08 1fwe s LEU 549 Ca 0.44 2.19 -0.07 0.00 -0.22 0.00 0.00 54.13 56.47 1fwe s LEU 549 Cb -0.26 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 1fwe s LEU 549 CO 0.32 -0.44 0.06 -0.63 -1.32 0.00 0.00 176.35 174.34 1fwe s ILE 550 N 0.40 4.78 0.10 6.68 -1.09 -0.24 -4.92 121.20 126.92 1fwe s ILE 550 Ca 0.56 -0.04 -0.26 0.00 -2.23 0.00 0.00 60.65 58.68 1fwe s ILE 550 Cb -0.32 -3.14 0.09 0.00 -1.58 0.00 0.00 42.46 37.50 1fwe s ILE 550 CO 0.34 0.48 1.10 0.28 -1.23 0.00 0.00 174.94 175.91 1fwe s THR 551 N 0.19 0.00 0.20 2.92 -1.32 -1.26 -4.54 115.64 111.83 1fwe s THR 551 Ca 0.04 -0.47 -0.23 0.00 -1.21 0.00 0.00 61.69 59.82 1fwe s THR 551 Cb -0.12 -2.39 0.05 0.00 -1.51 0.00 0.00 72.50 68.52 1fwe s THR 551 CO 0.00 0.00 0.82 -0.94 -2.21 0.00 0.00 174.62 172.30 1fwe s SER 552 N -3.20 -0.25 0.05 8.08 1.04 -1.26 -4.85 113.70 113.31 1fwe s SER 552 Ca 0.18 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 1fwe s SER 552 Cb -0.00 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1fwe s SER 552 CO 0.01 -1.09 0.23 -1.61 0.98 0.00 0.00 173.24 171.77 1fwe s GLU 553 N -3.59 3.48 0.20 4.02 0.41 -1.26 -4.89 118.70 117.07 1fwe s GLU 553 Ca 0.10 -0.33 -0.29 0.00 -0.41 0.00 0.00 54.97 54.04 1fwe s GLU 553 Cb -0.03 -3.03 -0.08 0.00 -1.78 0.00 0.00 34.13 29.21 1fwe s GLU 553 CO 0.03 0.61 0.92 -1.25 -0.49 0.00 0.00 175.26 175.08 1fwe s PRO 554 N -2.33 4.79 0.31 0.39 0.04 -1.26 -4.88 135.00 132.06 1fwe s PRO 554 Ca 0.33 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.55 1fwe s PRO 554 Cb -0.13 -3.30 -0.10 0.00 0.04 0.00 0.00 34.50 31.02 1fwe s PRO 554 CO 0.24 0.46 0.94 0.00 0.04 0.00 0.00 177.00 178.68 1fwe s ALA 555 N -0.92 3.23 -0.14 8.56 0.00 -0.29 -4.64 121.76 127.57 1fwe s ALA 555 Ca 0.42 0.53 0.18 0.00 0.00 0.00 0.00 51.96 53.08 1fwe s ALA 555 Cb -0.25 -3.18 -0.24 0.00 0.00 0.00 0.00 23.12 19.45 1fwe s ALA 555 CO 0.31 0.18 0.36 -0.40 0.00 0.00 0.00 175.76 176.22 1fwe n ASP 556 N 0.70 0.29 -3.85 0.00 5.75 -1.26 -0.93 116.55 117.25 1fwe n ASP 556 Ca 0.01 0.13 -0.12 0.00 -0.01 0.00 0.00 54.79 54.81 1fwe n ASP 556 Cb 0.50 0.84 -0.13 0.00 -1.03 0.00 0.00 41.12 41.30 1fwe n ASP 556 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1fwe s VAL 557 N -2.75 0.01 0.18 2.12 1.01 -1.26 -4.90 120.40 114.81 1fwe s VAL 557 Ca -0.08 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1fwe s VAL 557 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 1fwe s VAL 557 CO 0.84 -0.06 -0.16 -0.76 0.00 0.00 0.00 175.10 174.97 1fwe s LEU 558 N -0.14 2.51 0.00 3.92 1.43 -1.26 -5.14 118.68 119.99 1fwe s LEU 558 Ca -0.02 -0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 51.98 1fwe s LEU 558 Cb -0.02 -0.71 0.22 0.00 0.03 0.00 0.00 46.19 45.71 1fwe s LEU 558 CO 0.00 -0.13 1.30 -2.65 0.23 0.00 0.00 176.35 175.11 1fwe n PRO 559 N -0.09 -1.21 -3.82 1.29 -0.02 -1.26 -4.22 135.00 125.67 1fwe n PRO 559 Ca -0.10 -2.10 -0.30 0.00 -2.02 0.00 0.00 63.50 58.98 1fwe n PRO 559 Cb 0.59 -1.31 -0.00 0.00 -0.02 0.00 0.00 33.50 32.76 1fwe n PRO 559 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1fwe n MET 560 N -3.74 -3.94 0.00 -0.52 2.81 -1.26 -4.88 117.12 105.59 1fwe n MET 560 Ca 0.17 0.48 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 1fwe n MET 560 Cb 0.58 -5.25 0.00 0.00 -0.71 0.00 0.00 33.22 27.83 1fwe n MET 560 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fwe n ALA 561 N -4.16 0.00 0.18 3.04 0.00 -1.26 -4.94 120.51 113.38 1fwe n ALA 561 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.58 1fwe n ALA 561 Cb 0.52 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.51 1fwe n ALA 561 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1fwe h GLN 562 N 0.00 0.00 0.00 0.00 4.20 -1.90 -1.55 115.11 115.86 1fwe h GLN 562 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fwe h GLN 562 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1fwe h GLN 562 CO 0.00 0.00 -0.18 -0.09 -0.67 0.00 0.00 178.83 177.89 1fwe h ARG 563 N 0.00 0.00 0.00 1.46 2.43 -1.93 -3.37 114.38 112.97 1fwe h ARG 563 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1fwe h ARG 563 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1fwe h ARG 563 CO 0.00 0.00 -1.20 0.66 -1.51 0.00 0.00 179.97 177.92 1fwe n TYR 564 N -2.69 0.00 -4.37 2.20 4.02 -0.59 -5.04 117.16 110.70 1fwe n TYR 564 Ca 0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.59 1fwe n TYR 564 Cb 0.49 -0.16 -0.09 0.00 -0.02 0.00 0.00 39.34 39.56 1fwe n TYR 564 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1fwe s PHE 565 N -2.45 3.08 -0.03 -0.72 0.40 -1.19 -5.00 117.98 112.08 1fwe s PHE 565 Ca -0.02 0.11 0.21 0.00 -0.60 0.00 0.00 56.93 56.63 1fwe s PHE 565 Cb 0.06 -1.72 0.56 0.00 0.51 0.00 0.00 43.02 42.43 1fwe s PHE 565 CO 0.36 0.45 1.67 1.25 0.70 0.00 0.00 175.22 179.65 1fwe h LEU 566 N 4.76 0.00 -0.01 -0.37 5.85 -1.94 -3.47 115.31 120.12 1fwe h LEU 566 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1fwe h LEU 566 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1fwe h LEU 566 CO 0.55 0.30 0.00 0.49 -0.34 0.00 0.00 178.44 179.44